Datasets:

roman-bushuiev

/

MassSpecGym

like 8

MassSpecGymID0413544

91.054581,93.069695,95.085419,97.06498,97.101044,107.085526,109.10096,110.159767,111.116455,114.479729,121.101067,123.1166,135.116562,135.130692,136.946884,137.13205,149.131989,151.14769,163.1474,165.162262,198.219498,211.205093,247.241959,252.268005,264.120575,264.131561,264.268097,265.251862,282.278625,294.279663,300.28894,324.289551,340.285461,342.304871,412.896973,427.735199,479.300598,492.449951,501.169861,516.513611,518.525452,528.510864,534.523254,539.65094,546.523621,558.216919,564.602661,565.609985

0.00271770575925964,0.011353785964619306,0.02636320930925374,0.002138735317428243,0.010105506845430432,0.010655553584703598,0.01753544753758543,0.0017509515646249062,0.00783194908732146,0.0018295338163114188,0.03048840078542097,0.008293244271115047,0.02616330011361987,0.0015309436043791187,0.0020241633439563025,0.0040956530323116806,0.010115524868075945,0.0032478851095952103,0.003867097198731086,0.0028108937009610415,0.004783241556504833,0.007381778632919656,0.016163173125577145,0.2902692875597736,0.0025388738186080478,0.005117951277455013,1.0,0.011066783750660688,0.24269589499319896,0.0039021690613772588,0.026574209920626656,0.009692726837928392,0.0035827997315399734,0.0033014578117727873,0.001600899075924851,0.0019940885100625696,0.00197069293902172,0.004072633087551852,0.001985033920552769,0.00545728445065283,0.004790097674816018,0.0034200234581171843,0.018361368849593798,0.0016047464484143946,0.057873869777205655,0.001872419981444831,0.09755948332921668,0.03634709442609726

CCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

JBRSKTLYZLNAAE

C36H69NO3

C36H70NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413546

93.070023,95.085487,96.463837,97.10096,107.08567,109.100838,111.116516,115.324394,121.100883,123.116272,128.700073,131.134232,135.11644,149.13205,206.586761,247.240692,252.268097,264.169006,264.199677,264.211182,264.267975,264.327179,265.251678,277.205414,282.278412,300.287994,324.293335,337.121857,347.863922,392.54895,489.646667,510.323242,534.521301,546.522705,546.824646,546.872131,564.549744,564.868042

0.014610241080634237,0.03261131725274419,0.003983395654669563,0.01673054711270745,0.008403606152242657,0.017219452528490813,0.005870724130998431,0.0034477145003769085,0.028579119500541324,0.00955324173039005,0.0034064578351768056,0.0032509161606882335,0.022861331454133525,0.0038114676597677116,0.0037068706702890935,0.00923438633956047,0.3050703950656853,0.004404420890252872,0.005152170293464022,0.006389596627763179,1.0,0.006663646103275793,0.008596696709721487,0.0036139845964999764,0.2221794936866296,0.014835461232970965,0.007373347857449986,0.003664997165799285,0.003691838352742065,0.004216334603014184,0.003672803352923131,0.004137251623661102,0.005857804737764632,0.030810271459736156,0.0032771630653989007,0.003298387212006455,0.01578221802907959,0.003582790736588328

CCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

JBRSKTLYZLNAAE

C36H69NO3

C36H70NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413548

93.069626,95.048553,95.085548,97.101402,107.085342,108.375008,109.101143,111.117081,113.444832,119.927719,121.101013,123.11615,126.382904,135.116669,136.080414,137.133209,147.383438,149.132538,198.092606,198.220901,211.205276,239.971603,243.820755,247.241364,252.268158,264.136108,264.147003,264.170929,264.187561,264.201202,264.223175,264.268127,264.325043,264.340881,264.362305,264.378906,264.423767,264.431671,265.252258,278.073303,281.437744,282.278564,285.331055,294.27771,300.289093,305.115204,306.038544,324.290039,338.71167,426.752228,516.508484,534.522522,546.523071,564.537109,573.294312

0.012255582988309179,0.002536697534471855,0.027827456315276645,0.01150165984881296,0.009488190860910121,0.0028005160555572835,0.01664816861720013,0.005441592862057958,0.0020458704615532687,0.0020337156190141075,0.02853208372431429,0.008614875062958494,0.0021331069027886802,0.023806647363572908,0.0023531060703052384,0.0031766981979828215,0.002254433467938788,0.008466706820221178,0.0023539223670506148,0.0038177956104602628,0.008100301799077182,0.002302363163010006,0.0022612285877289776,0.014913833756151363,0.2940032101675628,0.0025082081511888965,0.0031313026196458974,0.005718296533387305,0.004232478481773022,0.004233383025476933,0.00658519499191578,1.0,0.00580925935124163,0.006240353374056938,0.0034817498108730693,0.004965699841441304,0.0019308367185854715,0.0021667786038138573,0.01064248070162571,0.002195872277233698,0.002787090832144569,0.22876586959997935,0.0020962913531120874,0.002883603617186976,0.028466262604580732,0.0024803656712919014,0.0028669945066924396,0.008146936781238361,0.0024789124485829293,0.0025116652512900788,0.003727068829204881,0.015857883566513804,0.05613537008670361,0.03178456935801755,0.0023009842832387196

CCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

JBRSKTLYZLNAAE

C36H69NO3

C36H70NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413550

93.070137,95.085518,97.101227,102.583649,107.085609,109.101311,111.117126,121.101196,123.117012,128.077652,133.754562,135.116913,149.132629,150.141495,164.027557,164.757599,185.538406,187.144913,191.034241,211.204575,212.167374,219.172913,243.122208,247.242386,252.268478,264.144775,264.174377,264.187927,264.210876,264.268433,264.325317,264.354065,265.253296,266.736877,282.278961,291.649689,294.277618,300.289429,312.283569,316.80777,324.288391,353.531372,371.21814,477.069611,516.51593,534.525574,538.632263,546.523621,563.435913,564.537109

0.010236206500554186,0.024214716598427808,0.018133496681292417,0.0023116195034999397,0.010272474827046062,0.014615993806384496,0.005507027648454174,0.028979698741615365,0.007393997691970192,0.002854650893751415,0.0027601359920674507,0.024433543560490704,0.006328070038512359,0.002487690861064829,0.0026424356942290348,0.0027680699668624874,0.002592615630311127,0.0030263135125050923,0.0027386916167479484,0.009238800798033481,0.002358667417379395,0.0038910113285829666,0.002377057676092536,0.0142255470408181,0.2682909918351616,0.004422446135353814,0.0035214658157999416,0.003792407674749482,0.006253596862566349,1.0,0.005746449883044191,0.005123228504858724,0.007766794984150243,0.0025487759603574005,0.22756066629407634,0.0028098441563673615,0.004067343425145956,0.020526678989991033,0.003269590825398037,0.0027958198401684424,0.009500758277592967,0.002859323536743012,0.002774054454715132,0.0027576630180910027,0.004135396568994476,0.01857255262954458,0.0026269809999355056,0.06395326432062537,0.0031378809758936315,0.04099642903037316

CCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

JBRSKTLYZLNAAE

C36H69NO3

C36H70NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413552

93.070084,95.085365,97.101219,97.932846,100.892632,101.15818,106.901474,107.085815,109.100792,111.116493,121.101181,123.11702,130.562363,135.116806,149.131683,181.430405,193.414627,193.425873,207.171921,211.204803,220.7061,247.241562,250.468918,252.268188,264.156647,264.174622,264.186127,264.208496,264.268036,264.312469,264.324615,264.3367,264.359894,265.251617,280.81427,282.278442,300.289612,324.288391,335.081482,342.300171,373.228119,434.242096,516.510315,534.522522,546.522339,563.511292,564.5354,735.569397,774.611694,977.264465,1057.35376

0.009243042615686353,0.01776527487660705,0.011209292739757461,0.0030236037061181415,0.003035087549844439,0.0033339438073964624,0.003142815275520879,0.00855576220011644,0.01257135913799999,0.0060415077184730265,0.023130967167324115,0.009068106067209905,0.0030628171150844114,0.02206077241241632,0.007566303562542216,0.00265016182463542,0.0025532418297208636,0.0026040443035940126,0.0028247467400020795,0.012674897786741338,0.002753556990510358,0.02101393751951809,0.0029848803161006505,0.26462241114689006,0.003620957798254056,0.003325418593473353,0.003754573764846902,0.005374937365545389,1.0,0.0031316417697149494,0.005374005202636283,0.004566133443073879,0.0030454114769418875,0.010287768074440541,0.003493912591964903,0.23308334730980726,0.04604529860326968,0.008018943037532946,0.002980819264137904,0.0059500532382583265,0.003912966696814425,0.0028303789367658725,0.003914677926463602,0.05801254037564899,0.11175685123099488,0.0033526032710366536,0.07937031608076434,0.0040582403497487545,0.003236751180208011,0.0032974582533664754,0.003434517790218515

CCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

JBRSKTLYZLNAAE

C36H69NO3

C36H70NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413554

93.06974,94.063797,95.085381,97.101074,98.863113,105.872086,107.085533,109.100883,111.116653,121.100891,123.116455,128.10614,134.570374,135.116714,149.132141,149.956909,149.964798,156.835587,157.378326,163.147507,178.069656,181.445267,198.220322,200.794083,221.57222,241.391708,241.405151,247.241425,247.662094,252.267899,264.104248,264.12085,264.14502,264.168091,264.181793,264.196075,264.210999,264.267792,264.322632,264.335602,264.363312,264.379486,264.402618,264.426575,264.443542,265.252869,282.278229,285.512634,294.277252,300.289001,302.311127,303.008575,306.280121,324.28949,367.551178,454.805298,516.513977,528.507019,534.519592,546.521423,564.546082

0.014321905424231405,0.002164551352863023,0.02645295825376823,0.01376487035314635,0.0020686473525049387,0.0017699479888471092,0.010657554166287001,0.01823890440103991,0.004558704209453627,0.033725275220645355,0.0054009711128244235,0.002875288888964117,0.0021074816645983738,0.023090411333888703,0.009426237446439015,0.0017134346068169697,0.0020902510904968257,0.0022567444764256435,0.0024863727853066653,0.002683967226652667,0.0018723183442973085,0.0021316921044616357,0.003980030867828315,0.002243918288741612,0.002613967030872436,0.0018248286216780245,0.0018035997345588687,0.010601605726637575,0.0023725421374631117,0.30450690416821,0.0019179439051084629,0.0026665285665642907,0.0030880438532671366,0.0030682855483816487,0.0041661931158517755,0.004779222906700752,0.0057805355399890524,1.0,0.005002852103081207,0.004646045172950018,0.004428718876796967,0.004423930455702466,0.004862704042448013,0.0021265521530982596,0.002149347673247873,0.008682495755226942,0.20924324828704052,0.002086025222549557,0.004389497593135016,0.014928737748055292,0.002467210464782456,0.0024766730691127723,0.0029989687516132828,0.006477579091122721,0.0018972898783971561,0.0019173319423721547,0.0051913079129347825,0.003846666900248844,0.006653794960173017,0.03010861277406764,0.015389130136398263

CCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

JBRSKTLYZLNAAE

C36H69NO3

C36H70NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413556

91.102333,93.069794,94.437538,95.085663,95.917336,97.101242,107.085732,109.101234,109.805817,111.116608,121.101265,123.117111,135.116806,149.132767,153.912872,182.103439,211.205795,219.173462,219.83696,241.782333,247.242493,250.306839,252.268616,264.201965,264.223328,264.268585,264.326324,264.344452,265.252014,282.279114,294.279572,300.289185,306.352081,324.290039,369.38858,385.523438,402.54657,462.539917,516.512695,534.523132,546.523438,564.549194,565.608643

0.002738040488324192,0.014934797148047704,0.003700571236638042,0.023570261349977875,0.00326885083987655,0.01592259349577174,0.014173710190707118,0.020509121609036784,0.003345091463988284,0.006929994952383719,0.03272092398774188,0.011546875020173904,0.024683613437102143,0.009825482957611209,0.0034864421505913243,0.002976021765700818,0.0066679956779591735,0.009681961484881778,0.0033856495924183163,0.003184810833332468,0.02165602729705119,0.003403426212765096,0.29353728676698104,0.0036837503993550035,0.005791262396536898,1.0,0.006547161712491668,0.003977615766985944,0.00604456049805534,0.2357240593935649,0.005516964542404664,0.0273058634358814,0.0036154143953767348,0.009334283440826083,0.0036790205990795614,0.003483673556285956,0.004938555817657327,0.0030700686767568012,0.004045286881082528,0.017102457415270663,0.06809734827201046,0.03213385977850078,0.006488403296302086

CCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

JBRSKTLYZLNAAE

C36H69NO3

C36H70NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413558

93.070091,95.085678,97.101402,101.648537,107.085609,109.031555,109.101326,111.117119,121.101257,123.116806,123.942619,135.116913,144.084015,149.132553,163.496552,165.166183,194.614441,206.663864,211.204895,222.06601,247.241837,252.268784,264.160645,264.174652,264.187866,264.200745,264.212708,264.223755,264.268799,264.302551,264.327087,264.351807,264.368164,264.388428,264.40625,265.252502,282.279449,294.277771,300.28952,324.290314,336.578064,405.404663,516.515625,534.524109,546.523926,564.538696,565.618103

0.01137120638657695,0.025114261654437878,0.010313665877976488,0.0023764437027005065,0.01050771494335608,0.0026652664664332092,0.016351367183989312,0.007846701223152765,0.027921705106554333,0.007596914806732164,0.002393889703941103,0.026983571037773667,0.002729979947063743,0.011133532423783022,0.002434364375263697,0.003075863520763058,0.0022633236270503732,0.0025964266533663074,0.005271509926124295,0.003230636127006539,0.013523006769777178,0.2774955130842248,0.004372247823119921,0.003778453526677483,0.003946936797010785,0.0044794181271963045,0.004775868514810058,0.0035500161582128196,1.0,0.0027338276164066127,0.007328414891045031,0.005140499823509072,0.0034033606012734805,0.0030502386291599484,0.0038489072028437335,0.010474997054209616,0.228735798946024,0.0050730809184100925,0.03053598323561624,0.006258232778658535,0.0032079393556533153,0.0028194707877206397,0.0042956087650514495,0.012886859953772702,0.05353433727771937,0.03106462315494841,0.003308011179595625

CCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

JBRSKTLYZLNAAE

C36H69NO3

C36H70NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413560

93.070312,95.085663,97.064743,97.10141,106.83194,107.085571,109.101219,111.11731,121.101318,122.267479,123.11673,135.116684,137.131409,142.158966,149.133041,178.773407,184.074554,207.903564,211.205093,213.907852,235.545486,247.242065,252.268692,263.904846,264.045715,264.135162,264.159973,264.199066,264.218689,264.268646,264.327209,264.351105,264.39212,264.416595,264.433044,264.446075,264.470123,264.484192,265.252075,282.279114,283.281769,298.627502,299.302582,300.289276,308.294281,309.299072,313.320404,349.233246,434.399445,435.401398,463.905945,516.512634,523.298218,534.525574,546.523621,563.473877,563.551819,564.594238,565.614319

0.007191370846045792,0.01631369128353477,0.0025530699508335662,0.009556736494145329,0.0019495734999009369,0.007089207985310989,0.011378443547706956,0.005899197762794054,0.01853761070701367,0.0017313909832975792,0.005662826423086363,0.011912798017140777,0.0035222333257623074,0.009509597079057098,0.004251115995362332,0.002203656323861772,0.002720257454643232,0.0018484066447972934,0.006410033312097374,0.0023473998106968473,0.001941723409702442,0.007632394938766402,0.30046342797904885,0.001970426136011134,0.0020914900664109107,0.0026315747334150754,0.003874998387070799,0.005750541780373065,0.004415921763927858,1.0,0.006037473675888961,0.004370309198002325,0.0038954021901561765,0.0027108911465881483,0.0023239809284395776,0.0018092673639802151,0.0025274157260776367,0.0023207707155501007,0.006110626470464148,0.16707712586187853,0.004456980224767233,0.0022291410675964107,0.0023486317599954046,0.020670598344568733,0.005100412930851039,0.0023802990328061304,0.007024760183998656,0.0018120340594979271,0.008760802185398878,0.009072148068708596,0.0017568219591166498,0.0029231286317197317,0.0021855401961341256,0.014144419049173887,0.031046041218336762,0.004429774797345471,0.005237093587593132,0.013229197987388546,0.002887224961744667

CCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

JBRSKTLYZLNAAE

C36H69NO3

C36H70NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413562

93.069847,95.085411,97.101303,106.601151,107.085548,109.101059,111.116882,111.537666,120.605232,121.100998,123.116768,135.116547,135.485504,140.491638,149.131912,174.140442,247.24144,252.268021,264.169006,264.182434,264.197937,264.267914,264.313049,264.32428,264.336426,264.350922,265.251282,279.262604,282.27832,300.288635,319.912231,324.289978,325.630127,335.259979,441.040649,516.514282,527.473999,534.522888,546.522827,564.543396,565.613586

0.012924998685736789,0.026566374033410053,0.010257881835133096,0.0028310655400846153,0.00824979266739734,0.0180415828473695,0.006861815208115055,0.0027217246499956784,0.003521545156008675,0.024693705926437978,0.008930715929979951,0.020036513880009894,0.0027024949035426523,0.003011817265635266,0.005543539044509397,0.002658968664590168,0.006912002911141491,0.3071325441977992,0.0036280576443972184,0.004337218233499045,0.006463411124265433,1.0,0.003095176706412247,0.005601354585161307,0.004822490680407123,0.004666638608147607,0.006568742685994237,0.00338104262846041,0.20826262799584863,0.014878060427227344,0.0031395371689355296,0.005574088655728019,0.00272667919497201,0.002997363580159432,0.0033054625168872816,0.003413685746484382,0.0027217812555246604,0.004641025811007259,0.030207608745224164,0.01272973385045702,0.003783024122330654

CCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

JBRSKTLYZLNAAE

C36H69NO3

C36H70NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413564

92.462921,93.069855,95.085464,96.960602,97.064476,97.101227,107.085793,109.101082,111.081268,111.116814,121.101143,123.116402,128.107132,133.085464,135.116669,135.862152,137.132675,149.132553,153.126877,179.805145,183.365173,198.221176,211.204636,215.747742,219.17482,247.241348,252.268326,256.085663,264.169891,264.186218,264.206573,264.220825,264.268188,264.320587,264.33783,264.361511,265.072113,265.252289,273.452148,281.624298,282.278625,282.97464,294.277893,300.288849,305.495026,316.879913,324.2901,388.027069,403.32962,472.669861,516.517395,518.54187,533.767273,534.522583,546.522339,563.422424,563.494873,564.599426,565.611389

0.002404443584878481,0.013981788266506989,0.03585511391040004,0.0024403469280232415,0.0045167683771443696,0.016128893399823114,0.012057282769892375,0.022497675871172115,0.003105048322683474,0.00948277390593874,0.03633259674114143,0.009444353102284544,0.0040116090142865105,0.0037275581769053473,0.025534355931278462,0.002988546615584735,0.003126454331163021,0.010273502107595051,0.0026108267440963077,0.0026164715443456822,0.0025117077341893506,0.004029457819654063,0.0055336362972592925,0.0025707631188246023,0.013130715262693562,0.012692141988154751,0.30941125722640533,0.0026186447827764104,0.003880196781760211,0.004179170536839919,0.004484618683947738,0.0046567647599447155,1.0,0.003946367055883503,0.005733348065311104,0.003463720583291774,0.0031604807112582743,0.010981017590346018,0.0032377960208917838,0.0029069196241013353,0.23868433653601778,0.00401058798090644,0.0052727222440322,0.01640233593545878,0.002825270713141403,0.0031919833138925884,0.008765105425214654,0.002833937052822731,0.0032521756462420767,0.0028853382252906705,0.003994049097263994,0.003985199980215363,0.002583754844343511,0.008893225939186454,0.05103101585142044,0.005282329567855681,0.005386433411914661,0.038478391434949535,0.0121505156927138

CCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

JBRSKTLYZLNAAE

C36H69NO3

C36H70NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413566

91.053589,93.069984,95.085571,97.101051,107.085236,109.100746,111.116875,121.101257,121.906937,123.116684,124.569443,129.160004,135.116806,137.132416,149.132324,151.096527,151.146271,152.90062,158.366272,187.574066,211.204239,227.203171,246.245605,247.241119,252.268326,264.17038,264.186401,264.211243,264.26825,264.315796,264.336456,264.346985,264.364319,264.392029,265.252472,282.278687,291.850525,299.869965,300.289337,319.882538,324.288544,349.202057,516.513123,534.520752,546.523193,553.69751,564.536316

0.0030065771391939045,0.013434830963434775,0.02276878573650967,0.010318764271509628,0.009228003067273647,0.013777098638875853,0.0061789924286580755,0.03248772250733687,0.002189464629844817,0.007867521598814002,0.0024829463367366128,0.0023435182208820576,0.024701883181984415,0.0033711704328101724,0.009953387746495576,0.0024154678186721094,0.0027940697651142755,0.002605512420845821,0.002402643050275218,0.0022394797610793427,0.005621188645439177,0.0023734357233572583,0.002419403155567009,0.013601916540350421,0.295307213485318,0.0042832953662967615,0.004421393876844784,0.005339460007562278,1.0,0.0055949502348494684,0.004010210747498633,0.004207347072584606,0.004523162409124576,0.003597304998803069,0.007429070670087852,0.2310754616310763,0.002680941171756161,0.0026730807565598183,0.024329255425142464,0.0023130992441633977,0.006879468876589559,0.0024038552557497307,0.004749336110430247,0.01459132589439011,0.05399797123033185,0.002397366377860673,0.03512441216150911

CCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

JBRSKTLYZLNAAE

C36H69NO3

C36H70NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413568

90.748489,93.069931,94.204277,95.085381,97.064865,97.101158,104.962807,107.085396,109.100967,111.116669,112.792435,114.842453,121.101028,123.116928,135.116653,137.131195,149.132141,151.147217,163.148972,165.163498,169.524796,170.281433,198.219238,201.074982,206.031891,211.205673,219.174332,247.241043,252.268066,260.867737,264.15683,264.182953,264.208344,264.267944,264.312439,264.325195,264.351257,264.376923,265.252869,274.005432,282.278412,294.279358,300.289307,324.287964,340.285675,356.386169,365.61618,385.270477,401.517303,516.515808,528.131958,534.524902,535.08429,538.403076,538.799622,546.521851,564.534668,572.526733

0.002346789093941831,0.013569959898897161,0.002464334301689676,0.03137322862554893,0.004495552626395669,0.015561577308811806,0.0028554400211841598,0.011782227261095572,0.018512461971520566,0.006321148663833364,0.002443207802877073,0.0029962596081987702,0.03869041956760094,0.008229419085379901,0.027183492776828393,0.0040503367308319166,0.010831188075268774,0.0038408527539937616,0.0028552718620285453,0.003342889884815091,0.0024686560016979296,0.0023403242061425327,0.004469383941970141,0.0028872572965687104,0.0030530584051478332,0.00584092639139287,0.009628374147131311,0.012389007518614235,0.2978344282576612,0.002793111632740121,0.003552083499077386,0.004908841616255461,0.005735978103794142,1.0,0.004129742513262703,0.006179877205723628,0.005615374137317625,0.0054331672195704105,0.012150643032060714,0.0021757838057826105,0.24132423046256707,0.003587733579881219,0.025826790712702188,0.008416330656809039,0.005390444114190306,0.00248968199661181,0.0029418269652652716,0.0028594162764604986,0.00259688507647582,0.004167133070454022,0.0027476643555116986,0.014702126511956331,0.002861935265659356,0.0024517571230888518,0.0029727923928410255,0.06189614515676026,0.03658903613940608,0.0030976155812722445

CCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

JBRSKTLYZLNAAE

C36H69NO3

C36H70NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413570

93.069748,93.606827,95.085335,96.835312,97.101074,101.09066,106.820747,107.085304,109.100975,111.116478,111.60022,111.770554,116.342873,121.101006,123.116066,133.4198,135.116562,141.891693,142.737183,149.132416,152.938477,170.740372,191.377106,222.46524,247.241821,252.268127,264.170258,264.194427,264.210052,264.268005,264.312317,264.335754,264.350067,264.374298,265.253601,282.278564,294.277679,300.289276,340.287842,380.323029,473.293884,489.149414,534.523621,546.523254,552.126892,564.535767

0.01137173424126409,0.002694578960418795,0.018783839150924565,0.0026991958234794497,0.012953190419699442,0.0022716634346783204,0.002846758172237522,0.010043838498984181,0.015971808304621707,0.005285763891366222,0.0028057558043753992,0.0028441020821437556,0.002428461472704025,0.030486422266181396,0.0060608058085690605,0.0026820832469268154,0.02253866409211258,0.0027211125003708367,0.002390057255748521,0.006501031526445155,0.0030416821702729103,0.0029306192415442783,0.0024703943367623687,0.0026501958494838133,0.014169947408921546,0.29578427603888346,0.004384916068535782,0.0045456220628346,0.0067644215651623575,1.0,0.005994210400207155,0.004405527774674753,0.004382148741297237,0.0029779359963022526,0.006711613796377043,0.2170234224247714,0.002997326244519397,0.02786515208267483,0.003045898076812495,0.0024705869419271286,0.0030916843392565906,0.003310753150099018,0.015996184534289318,0.054193202488654224,0.0028371133046748154,0.03492915390224777

CCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

JBRSKTLYZLNAAE

C36H69NO3

C36H70NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413572

91.319687,93.070282,95.085442,97.064415,97.101311,99.734138,100.075127,107.085083,109.101044,111.116829,121.100815,123.116516,135.116684,149.131866,150.081009,172.893982,175.079895,192.210342,196.415955,198.218643,210.561142,211.205032,247.241531,252.268097,259.884705,264.183685,264.210114,264.268036,264.313354,264.336639,264.349121,264.362061,264.374786,265.251648,274.99292,282.278503,300.289246,324.289734,342.299683,478.295776,534.522522,546.523438,564.537537

0.0029227543349544536,0.006253900854863366,0.01915124360113489,0.003578953667665549,0.011084180549318237,0.002979819820994204,0.003216305869773942,0.00900453884902368,0.01568319213974479,0.004533894900803904,0.02588057014084016,0.004854611692843681,0.018824401741672405,0.007142379812491963,0.0025896520098842705,0.003064234631125529,0.0036039708271013494,0.0036815703472727395,0.003556963777568843,0.004130613426088574,0.002853749284984588,0.006079159832475135,0.02089931058990834,0.30595864166158193,0.0030156059053625455,0.0050382480053413,0.0047048245811904315,1.0,0.005809474273612114,0.004781044871842108,0.00406224528694907,0.0038055477113020124,0.0031469211349702706,0.007630837672274943,0.0032334877028350594,0.23072042687227035,0.01907547900402144,0.007238067484668308,0.0038134708033859925,0.0036286474319382235,0.020142744655767705,0.05200004849266334,0.034106056116657554

CCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

JBRSKTLYZLNAAE

C36H69NO3

C36H70NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413574

93.069778,95.085327,97.101082,107.085335,109.10096,109.392708,111.080246,111.116402,112.218948,112.646858,121.100876,123.116142,135.116272,143.212585,149.132111,150.344925,160.773697,198.559753,211.204071,242.140823,242.441315,247.241806,252.267715,264.15683,264.165833,264.267578,264.311981,264.323517,264.335693,264.347839,264.360962,264.376434,264.391846,265.25293,282.278076,300.288818,324.28952,352.424255,534.521973,546.521667,549.581238,564.537781

0.012144492107300751,0.02895075354026113,0.007550863448246298,0.01147779567663108,0.011876730945512568,0.0034294358508396,0.0036083042303245148,0.006512223226960602,0.002734077738580818,0.003539059082622742,0.03175371742134954,0.006140637884267458,0.02119004322144147,0.003158956252289271,0.006638474025837333,0.0030841084704089326,0.003094033392645473,0.0034968027982980265,0.004465368474596122,0.003568987656211068,0.003239445548738083,0.01318170079047556,0.2852065759911755,0.0030830557420568746,0.0030299877698852272,1.0,0.005127162528404187,0.005051063170299583,0.004629202672605791,0.003799329881262173,0.0033027948334520465,0.003988442566800792,0.0034977566630472103,0.007182643907849679,0.2193129765352805,0.021995727064133278,0.008860800699344862,0.0029398336927911827,0.021303602258326632,0.04875549760002082,0.0033789304509342904,0.030837452746570543

CCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

JBRSKTLYZLNAAE

C36H69NO3

C36H70NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413576

93.069794,94.0811,95.085602,95.327721,97.064293,97.101357,98.066605,107.085533,109.101166,111.116493,121.101128,123.116745,123.689697,125.094711,125.131912,135.116623,136.290375,137.132599,140.054489,149.132568,163.147476,165.163635,174.693527,198.220337,211.204391,219.173813,233.043488,247.24173,252.268311,259.725983,260.862213,264.142792,264.159637,264.183563,264.204193,264.268219,264.319489,264.337402,264.364471,264.390198,264.41391,265.252502,265.929352,282.278778,294.277466,300.289032,300.538727,324.287354,327.066589,365.356842,367.227875,369.315216,374.638306,390.631531,432.955414,439.197479,516.508911,534.52533,546.523315,564.385315,564.535522

0.015026154696110997,0.002146330983332229,0.022728033493216806,0.002027563901011968,0.0026607100250955877,0.01115676570407187,0.002107684151338015,0.010337522962300151,0.018770819097840216,0.00694714727472339,0.031522674265783014,0.009173048758848883,0.002020639261401335,0.0028795967261714076,0.002775490613641966,0.029952625419843434,0.001957522758147379,0.0053743123741555624,0.0019886994543257043,0.009893182728241169,0.004095129916525406,0.0033792870264171514,0.002024441666711913,0.004950950315948132,0.005514187650711983,0.006992313012241565,0.0019762071394830373,0.01412115658713034,0.28940569282001216,0.0023539205268010236,0.0026059884089006265,0.002737406457960275,0.0039177734699129855,0.004441678478062807,0.004885828688459613,1.0,0.004660948854301163,0.00493768895500929,0.005466508168825654,0.0032927214559133173,0.0021935020813809414,0.008517657620599448,0.002446067116309526,0.24014151152887622,0.0034904847008130277,0.02304939764377296,0.0021242350858256083,0.010656216440162063,0.003248548731375132,0.00228061081292982,0.0021254240715664055,0.0021944586213823963,0.002260143147579649,0.002310859588719039,0.0022998074005379644,0.0037247220918274824,0.0056723835657019,0.017137089598959255,0.062242827232676615,0.0024753279664320718,0.03344652907320072

CCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

JBRSKTLYZLNAAE

C36H69NO3

C36H70NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413578

92.408852,92.523552,93.069534,95.085289,97.064713,97.101028,100.422676,100.487869,107.085114,109.100807,109.879745,111.080788,111.116325,113.007256,118.740257,121.100746,123.116447,125.132553,128.662003,133.084747,135.11647,137.132019,149.131699,163.147156,165.163895,172.951843,181.054306,198.222092,211.031281,211.205109,247.241211,252.267563,262.254059,264.267639,264.314819,264.326294,265.250916,277.097137,281.242279,281.917297,281.938721,282.189697,282.199951,282.278137,300.288635,308.254974,324.288574,340.286926,483.857239,492.444855,502.504181,516.514038,534.522827,538.31012,546.522522,564.601379,565.610535

0.0015516054065685232,0.0014751453438979424,0.012011708620700442,0.0191902215134899,0.0029190822598296486,0.011151779297707564,0.0014330123635524791,0.001478752818992793,0.009670024575855531,0.018278100422546285,0.0016372131912350413,0.0020271419598280435,0.006576304566290909,0.001679955190997286,0.0013408856633225854,0.03118159474239584,0.009045945364681137,0.0020619998384133827,0.0015702183046081837,0.0021596175152276344,0.026379421207617857,0.004041728519793137,0.008566450280967572,0.003850887103456512,0.0028619200744713002,0.0018422824474224624,0.001811250696196213,0.004212217778499568,0.0017109501548810448,0.007549538677824304,0.015488467893908866,0.28719610357974207,0.0016968592621367463,1.0,0.00501681636170593,0.008054162650259912,0.011175680868062894,0.0017307925127181454,0.001470061099871683,0.0015944632351000952,0.0018467819938101989,0.0014636188057443225,0.0022317770104680382,0.25081451283729506,0.02719118399084669,0.0017298336218225718,0.008384055920938986,0.002212375125780492,0.001868665518150339,0.004457496017869195,0.002029999220358173,0.00539196032694903,0.019027740178512404,0.0019852195186840648,0.06512779727136242,0.0875798615980699,0.027225113515686825

CCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

JBRSKTLYZLNAAE

C36H69NO3

C36H70NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413580

90.321587,91.054253,92.364166,93.069855,95.085518,96.081322,97.065201,97.101166,101.639183,107.085381,107.092941,109.10112,110.097099,111.080124,111.117088,121.101158,123.116837,133.087524,135.116577,137.132858,143.002106,149.132355,160.792297,164.353333,170.695984,177.164215,191.175858,198.22052,204.107758,247.242905,252.268204,254.281952,264.26828,265.251892,282.278839,294.278473,296.230255,300.289673,306.277679,324.29068,334.691925,340.270081,350.98642,482.043243,516.517273,528.513855,546.521667,546.878662,557.069336,564.606873,565.610413

0.0016807337161688263,0.003832916533483844,0.0016826084356090503,0.01830124726190968,0.034484477808508815,0.0023356425855276274,0.005559845715151055,0.014832005632764876,0.0017947302518233023,0.014801479925810318,0.0015835330029839,0.019160471975368052,0.001870543367154518,0.004784031996168524,0.007736978304250281,0.03111322009019929,0.0078087404162116986,0.0015684162258704298,0.022422475925880293,0.002329512164985614,0.0020815217359336806,0.007524822786055163,0.0016937600957213919,0.0020745943073555463,0.002097630224882702,0.002254805012515113,0.0017260968714388843,0.00438004625758345,0.001772774746326039,0.005779731119726243,0.2818747846323603,0.002291799931091256,1.0,0.006524337086285383,0.2044667366332754,0.005406771512437365,0.0018511875616649403,0.007371019171807149,0.0040478265929557115,0.005203165108178408,0.0017805350996461528,0.0017593725593320324,0.0020419598159447396,0.001900391605149813,0.004827380646313784,0.0035174261944798707,0.018722758121298748,0.0019152269511817654,0.0017895634210315235,0.08022035760204076,0.026325169433484792

CCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

JBRSKTLYZLNAAE

C36H69NO3

C36H70NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413582

91.054214,93.069786,95.085434,96.080833,97.06427,97.101028,100.075645,106.469521,107.085403,109.100967,111.080055,111.11657,119.601814,121.100983,123.116554,133.084671,135.116653,137.132141,149.132156,153.434464,163.148148,166.210205,195.054016,198.220673,211.206131,247.241608,252.268005,264.223236,264.268036,264.300842,264.313629,265.252533,280.262268,282.278595,294.277802,300.288849,306.278381,324.288605,369.937775,371.184723,411.210632,492.448364,500.527008,516.510864,518.520874,528.512817,546.523315,564.606201,565.60968

0.0030336366138560746,0.018197272947212045,0.031814536154043005,0.0023063637452951148,0.002880791395668225,0.017349721474847892,0.0022597654528356366,0.0012998730111594998,0.01453406996172742,0.01964455678856997,0.0028297857544371907,0.006053326679979726,0.001130125313674215,0.034001928686954515,0.008784962985948589,0.0014813328985674404,0.022201671234982186,0.00326597872441045,0.00866176818314305,0.0015572050785929057,0.0019431300832341908,0.0012992882010673193,0.0015873245473333973,0.003378629056398141,0.0017254819298386118,0.005736537722161169,0.2893250930000333,0.005727275415437237,1.0,0.0019817154584521536,0.006087403169767191,0.006025059376015609,0.001749169114921369,0.2046217137567609,0.006318214226892535,0.006212407496134727,0.003663791578725114,0.007502259916968876,0.0013951947368678877,0.0013448684464152192,0.001480458877242819,0.0029171673552401585,0.0024336716287681574,0.005170573202689382,0.0017646860304079857,0.00321870208874477,0.01969900629244416,0.07297430782923749,0.022334317482916415

CCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

JBRSKTLYZLNAAE

C36H69NO3

C36H70NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413584

93.069954,95.085564,95.231636,97.064911,97.101318,104.203842,107.085648,109.101151,111.117165,121.101219,123.116798,124.852928,135.116699,137.131226,142.20546,149.132553,151.148712,165.163895,198.22287,211.206573,214.433655,219.175446,247.241776,252.268402,263.976532,264.268463,264.327087,264.339661,265.252472,279.407288,280.265533,282.279022,294.278046,300.289917,324.289032,334.866699,457.801208,492.44931,516.511108,517.058899,528.514282,534.524414,546.524963,563.512085,564.603027,565.610596

0.013638644865361245,0.02238961083517634,0.0015096468109886477,0.0025201660568555367,0.011812185465985335,0.001539038719425373,0.010664920037160621,0.017654288370051327,0.006684825090730879,0.03005923266285419,0.00835572258205815,0.0015149840376485395,0.023245107039632763,0.0028448460621997443,0.0015964498459901135,0.009101000462046325,0.0018965250898118483,0.003246512370218492,0.0020062675273839936,0.00554594548076288,0.0016153849105818028,0.001769324252558157,0.01622797485651189,0.29320932613009393,0.003729758709895087,1.0,0.005947460150300652,0.007993825946125953,0.008022513112393086,0.0015033833914595565,0.0019277128934630681,0.24085266826921503,0.0032169410193710565,0.025573518383214873,0.00808753251217462,0.001819134722973275,0.0020719738198987448,0.00720526864237787,0.0068603097321838094,0.001577437466532086,0.00283015702218613,0.019117897365535035,0.061619901543076484,0.002796352608851318,0.06854705190599476,0.022742815890752936

CCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

JBRSKTLYZLNAAE

C36H69NO3

C36H70NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413586

93.069794,95.08535,97.064537,97.101051,100.217911,101.919174,107.085197,109.10099,111.116524,121.100922,123.116562,124.613945,125.13192,128.105011,133.085236,135.116394,137.132111,143.294281,149.132141,151.148483,157.664917,163.146622,165.161591,175.639664,177.164841,189.465103,191.207336,195.642624,198.222229,211.204956,231.644043,247.241119,252.267822,261.332184,264.223633,264.267883,265.252075,280.261841,282.278412,294.278412,300.288727,304.979279,323.362183,324.289795,326.693909,370.890991,492.449097,518.517212,528.51178,534.523438,546.523499,564.604431,565.609802

0.013459079508079667,0.026525591760803796,0.003670174414364692,0.009422607411504118,0.002014013441832712,0.002247962386415584,0.010201843369508924,0.02289996881506539,0.006911318885588922,0.03493414767547431,0.009577824857922385,0.001680588417271202,0.0036915568382887487,0.0021874612719110483,0.003957381626372626,0.025148210783983164,0.003704378294836617,0.0017420142665442232,0.009243460911933182,0.002671791803848091,0.0018892966932047624,0.0026092327874271005,0.002846894578965974,0.0018373480898363202,0.0027026406013680336,0.0017494345397895,0.001596190866540077,0.0019391754691899484,0.004216381454318868,0.007982254084680703,0.0019227256661365514,0.014685038403473254,0.30899279535598306,0.0017815696460362755,0.0046349134554975685,1.0,0.008404079992715462,0.003646637414804999,0.23013160786382134,0.005219397155150381,0.01914991557970415,0.0019303345476087096,0.00239288183603624,0.008216388075338034,0.0017966417014589542,0.0021213763131228214,0.006049452823958564,0.0025751759154368273,0.00258617884671093,0.014162822800801974,0.047078214508611244,0.11020525513095221,0.042028146529984343

CCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

JBRSKTLYZLNAAE

C36H69NO3

C36H70NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413588

91.054039,93.069824,95.085419,95.240807,97.019653,97.065216,97.101128,99.952148,107.085236,109.101089,111.116516,111.553879,120.521614,121.100929,123.116417,133.0858,135.116653,137.131958,145.178558,149.131943,151.149063,153.314651,158.090912,161.228439,165.008057,165.163376,181.881943,183.200409,198.221191,202.199371,205.049591,211.205627,219.809296,247.241394,248.703003,252.268066,264.107056,264.118866,264.197327,264.209839,264.236145,264.268097,264.497162,264.507965,265.252014,282.278687,294.279297,300.289276,324.289581,340.2883,342.296234,343.122681,362.079834,483.353394,516.512756,518.531677,528.509521,534.524475,546.442505,546.523743,564.602722,565.245178,565.610535

0.002869257074455681,0.013365161140263841,0.025212128822682218,0.0011983233570321383,0.001335024876033846,0.0014864194331019756,0.011220941130654406,0.0013043722979689451,0.010818311023486687,0.01593018966032707,0.007223750487317363,0.0012752197844333715,0.0011973973152105903,0.031149163826928068,0.008224014250947029,0.002421160772697515,0.023908204571037695,0.00485622886905629,0.0012193838609716014,0.009535665538055746,0.0028100701568604613,0.0012896546714269898,0.0010858732597296967,0.0013240893888628736,0.0014429447747350134,0.0020126416604921743,0.0012456582757631295,0.001266987894145638,0.004143170356477115,0.0012741440525889317,0.0016762393371468815,0.007209161517507343,0.001322735459171861,0.016835441935118208,0.001600361423593275,0.2980473605353808,0.002509790909968264,0.004624239673630918,0.005977668604797087,0.00847846659161565,0.0031206550648474564,1.0,0.0018501399250355705,0.0027306266537650585,0.007827567819639168,0.23187774545174783,0.0036386208320879207,0.027444396161267606,0.010665966133937985,0.0023197189228619276,0.00168312228617013,0.0015096352165043412,0.0011937378576278288,0.0012616686120899435,0.0036149648200444937,0.0016169939172211531,0.0027221154115917795,0.016618735845331467,0.0012342501910192624,0.06792542645031244,0.09822273490176918,0.005328245606690909,0.025995898932763797

CCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

JBRSKTLYZLNAAE

C36H69NO3

C36H70NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413590

93.069855,94.064873,95.085419,97.065025,97.101074,98.054535,102.478958,102.748268,107.085312,109.10099,110.927094,111.080177,111.1166,121.10099,123.11657,132.330215,133.086029,134.03717,135.116592,149.132233,151.148697,163.147537,165.163147,166.983353,177.791977,198.220749,198.735306,211.205185,215.921188,229.927521,247.241837,252.268051,264.268127,265.252136,282.278687,294.278229,300.289276,324.289185,325.865387,340.284241,342.30304,461.657379,468.303436,468.350494,516.515808,528.516479,534.523682,546.523926,558.46936,558.662537,564.60437,565.61084

0.013087217432656074,0.0016150941278967692,0.024206584389206098,0.002029794476249821,0.012409653519540749,0.0014377371815789666,0.001243191666826896,0.0012544120331565818,0.008527609631177354,0.018412889574621085,0.0017152905985513655,0.0025661251979044123,0.007758121368758153,0.03389074254581743,0.008685114125747425,0.0016625587404114277,0.00348337361177176,0.0014288942052505743,0.023775219981845144,0.009250682779555128,0.0024201035997149043,0.002840537793385122,0.002345651061396298,0.0017192219412098552,0.0016743473682153383,0.004573430428769444,0.0014477166630920857,0.008468515216299266,0.001301396883061179,0.0014352884879966306,0.017683425518604478,0.29296374799256053,1.0,0.010391111792886244,0.25036962072871277,0.006287914234584443,0.030095943527173864,0.008961039994961418,0.0013621551547459152,0.0035288283656981197,0.002296437610427828,0.0013274511653882971,0.0014697509617867728,0.0014226631178206703,0.004362317081092805,0.0034176373233871377,0.016386068816527908,0.07194510035553875,0.0015990694740706333,0.001479179394872511,0.10118333278660978,0.03147897897816334

CCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

JBRSKTLYZLNAAE

C36H69NO3

C36H70NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413591

155.16864,157.12645,158.180161,159.15451,161.062439,163.109283,167.173752,168.12233,169.147446,171.223328,172.364105,173.102692,175.172562,177.108398,179.111877,181.181412,183.109634,184.035645,185.069016,186.057053,187.179901,189.153671,189.914719,191.042679,192.137024,194.309601,195.312775,197.126648,198.110016,199.247467,201.170578,203.232819,205.13855,209.160034,211.129089,213.188904,215.215134,217.344681,219.133301,223.301666,225.158325,226.143906,227.301514,229.225967,233.153091,235.11969,237.134247,239.233429,241.210175,242.299225,243.158722,247.21167,249.065369,251.19165,253.27594,254.229614,255.277054,257.121521,259.512604,261.242371,263.395081,264.171051,265.255981,266.361633,267.283264,269.335938,271.255463,275.110687,277.350281,279.293762,280.360535,281.138733,283.264526,284.362793,285.115784,287.258606,289.24939,291.192139,293.216614,295.308014,297.229675,298.376434,301.220703,304.341431,305.295288,307.267395,309.424194,311.27771,312.228271,313.340363,322.298706,327.264404,330.336639,333.273499,335.365265,337.36972,339.364563,341.298218,343.342346,345.512115,346.424438,349.256561,350.305542,354.30304,357.647491,361.47641,364.291443,365.400574,367.406525,370.169952,372.285645,373.172913,376.427643,378.277954,379.248413,380.158569,381.199615,383.368866,384.343231,385.381287,386.489441,387.798096,391.350677,392.324066,397.227448,399.314392,400.477844,401.365112,405.432709,409.576904,410.549469,413.360077,416.258667,417.029877,418.237671,420.423431,425.418549,428.865997,430.325226,432.337311,433.398895,434.374329,435.017181,438.364166,439.003235,445.593628,452.342346,461.233704,464.646759,465.369751,476.962921,478.456696,479.575195,482.387482,484.499786,490.218353,496.384094,497.490112,505.304047,506.485321,508.418793,509.300537,522.372742,523.958008,524.665222,526.552002,527.557312,536.697937,538.477295,543.278931,546.750122,547.46936,555.798889,571.219482,573.664429,575.632141,576.898193,577.668945,578.562134,590.692749,591.61853,599.665466,601.848755,602.575134,603.608521,608.729858,614.569153,617.583618,621.533142,622.279907,623.747437,624.74939,626.018433,630.446777,632.725281,635.463074,639.757446,644.404419,647.370117,650.217407,652.503784,657.708374,659.906494,663.779663,664.597778,665.227173,670.475342,673.931152,675.518921,680.196533,681.621948,682.718506,686.791504,692.419312,698.714233,699.717651,700.679077,701.582886,702.706299,703.542603,704.601196,705.649658,708.629639,717.70105,718.850342,719.47168,727.373047,744.519531,745.598511,752.301392,753.142822,761.651611,762.713623,763.694214,764.669189

2.482711829604675e-05,9.569987515445764e-05,4.170243229198644e-05,4.785862020516234e-05,0.00011935095920742311,9.93410966982282e-05,2.1998523822188054e-05,6.978077784319671e-05,7.453512826527887e-05,0.00017975528775832626,5.77780358128757e-05,0.0005654795608039451,3.8469329211290255e-05,2.9447080211252107e-05,0.00014370693384637312,0.00024490693674848784,0.0001553780184625985,0.008546559006116207,0.0011810548191526153,0.00019381977696000205,9.295225030520962e-05,6.480695515195184e-05,1.5148080169202651e-05,9.067939894083736e-05,2.4076682608274038e-05,4.1186866932345385e-05,0.0001604832439151743,0.0002011198049903735,3.318572793033427e-05,0.00013347199783059124,0.00012578725299161608,2.27728205099e-05,0.00010916045987284212,0.00016762436337783995,0.0005623709303594666,0.000192078902570002,0.0003512697530448605,7.418541657711328e-05,0.00012541285148451358,0.00013834570318122481,0.0003237644309799497,8.873292751055742e-05,0.00042128126710697154,6.323890949451012e-05,0.00019610975891462158,0.00037241485792237144,0.0005000480056581876,8.914097108034888e-05,0.00015518408979579802,3.176306012081691e-05,0.0001431408105278736,0.00021441723718835324,0.00017605987842791822,0.00022619809039291588,0.00014804700458463912,6.391294904081598e-05,5.5907336413371605e-05,6.392292482610131e-05,8.825094429897898e-05,6.962080579087345e-05,4.512424647410615e-05,0.00010284171858552489,0.0006320065051057326,0.0005284901078845542,9.239381103753799e-05,0.0002823127613707312,6.380854281153596e-05,2.0790874627942265e-05,2.373804514020998e-05,6.770193503179336e-05,0.0011415533856093648,3.862207655825422e-05,0.0001871710408894701,0.0011284671724407697,9.26855403460647e-05,0.00029956151324686645,0.0007005324809437552,5.536092999982291e-05,0.0007223711725144148,9.034396690528237e-05,0.00018658426200354045,5.5839997366252885e-05,2.6803596968351112e-05,1.4326910272152047e-05,0.000101658314843404,0.0004131533138054299,6.409691690098773e-05,0.00507985663116439,8.705760471465697e-05,5.1198800708896126e-05,2.250477745031903e-05,2.8830463841405982e-05,6.836362717218801e-05,0.0008418236920063669,0.0002966283777358185,2.5237059162338917e-05,0.00011437442537933642,0.00010008322921736754,0.00013434073994095445,6.93296506641825e-05,2.6089120042152437e-05,9.419176409489634e-05,0.00019234376016861597,0.0012822709191176729,3.091100423388892e-05,9.677689548462936e-05,0.007371146472148008,0.0002449493912541341,0.0005452199990965997,4.8466449096478857e-05,0.00013213162276034951,9.437213208460226e-05,0.00020349250407953852,6.416701701380353e-05,8.233887353793294e-05,5.844607890366219e-05,0.00012788492397434624,5.76391836663367e-05,3.951274242897172e-05,0.0010946860379183131,2.9671635237882523e-05,2.2683502780686177e-05,0.0002381889643343364,4.975639602288582e-05,3.691121440316412e-05,0.044925998611821796,8.738540262823935e-05,6.459769832657981e-05,0.00016741965507118412,6.920952683125974e-05,7.058569589785304e-05,2.6609588415382173e-05,0.000793730750690481,3.786840048777371e-05,5.367123767937233e-05,0.0007323951141806609,7.82908266884398e-05,9.451157339163359e-05,3.991721608561051e-05,0.00018790794086457588,5.123019098021187e-05,0.002265173489743794,8.159714044963586e-05,0.005479166490810477,0.0003298474531485955,2.6987844430112437e-05,0.0010217547592925986,8.143375326361133e-05,7.996718301164458e-05,0.00028013408581319165,2.1157312482627292e-05,0.00011458753671233623,0.00015209010847745934,7.819509809420778e-05,0.00024010786505072968,2.241376214002563e-05,0.00015205394001469312,0.00013923046246836247,0.00024257590828194106,0.00012061844813472428,0.0021473137806215033,0.00020985786893191802,0.0006591257223398627,1.7883777014923813e-05,0.00026853008061403753,0.0003471345254211597,0.00013660058983141132,3.726820571842981e-05,2.4849271729135336e-05,0.00017636366555499552,2.9339628321799895e-05,1.2506374393549691e-05,7.72454562596313e-05,3.3200471921299016e-05,2.738069964212713e-05,0.00030999302415877876,0.0009792078852641146,0.004451324140858974,0.00016441220045904903,8.349677362077584e-05,3.991247783724426e-05,8.971045461080886e-05,9.104208214560518e-05,4.7424678538136166e-05,0.0004932058352165223,2.6387434966690822e-05,3.550513795225694e-05,0.0001334889037409897,1.0,0.03256632502108909,0.0010088275445636486,0.0001497832805270677,0.0001432374428343862,6.862691700474613e-05,8.66253106998551e-05,5.653401344755704e-05,0.00011046589473015754,5.9982519595710454e-05,6.736244378030399e-05,0.00012420872227456516,2.382668882987749e-05,6.0264078396416235e-05,8.63430029663201e-05,0.00017883812963699616,0.001269353914839628,7.529080648285618e-05,0.00012029464952245001,3.49793920990239e-05,4.7990377461365786e-05,7.446195752786322e-05,9.574899516228399e-05,4.582852792805626e-05,0.00011450785525219183,1.8824291854754775e-05,4.696509840392272e-05,6.48328232918734e-05,0.000325343560843264,7.264488171893191e-05,7.069232396119311e-05,7.995364729897765e-05,0.00017824356184964252,8.504073859131507e-05,3.524038520423905e-05,0.0001740200899671164,0.000229108048929342,0.001187587870065459,0.00013212489734354307,0.018147217802382994,0.0005657085345342679,8.51075633712244e-05,4.839623914018142e-05,0.0012725556825707494,0.001133668575847275,0.00030856247258301235,4.7293505449539525e-05

CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

PMUXXFUNXMXIFC

C43H72NO8P

C43H73NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413592

91.054161,93.069817,95.048813,95.085464,96.84803,97.064575,97.101128,99.044044,99.080322,101.023193,104.107521,105.069778,107.049194,107.085411,109.064758,109.101105,111.043869,111.080444,111.116737,115.053772,117.069778,117.112976,119.085365,119.379448,121.064941,121.101028,123.080482,123.116638,124.999741,125.059303,125.095818,125.133362,129.054443,129.069656,131.085266,133.100967,135.080383,135.116623,137.059311,137.096161,137.132233,138.131714,139.111206,141.069656,143.085175,144.123962,145.100967,147.079514,147.116562,149.095901,149.132309,151.148438,153.127502,155.01004,155.085312,157.048141,157.100998,159.116669,161.095627,161.132233,163.075317,163.110519,163.147934,167.085007,167.143509,169.100616,171.116501,173.0811,173.132095,175.147995,177.092896,177.163788,181.10022,183.116501,184.073013,185.077316,185.131943,186.076996,187.113586,187.147766,195.115799,197.1315,199.14772,201.163528,209.132278,211.095825,211.147202,213.163177,219.210358,223.147888,225.163712,227.178329,237.220825,265.19751,266.283966,268.758118,280.263306,284.294006,293.222748,295.263397,311.257568,314.40506,316.784576,333.216339,335.258087,342.812378,347.443359,353.714325,354.277924,364.261169,385.273376,399.252747,420.285156,428.956787,438.297119,497.297058,497.988312,549.302368,563.096313,592.46991,621.086548,621.136292,621.193726,621.276489,621.486938,621.650879,621.739075,621.829163,621.923828,629.601746

0.10328526053775645,0.10095188390633902,0.004860671724490665,0.11307516717289771,0.0027775978536401526,0.014383927820574367,0.04956524043806559,0.005825169532816783,0.003760985997514458,0.010245669243435073,0.003723794624229998,0.08159078937049383,0.005597983767705001,0.07458673375536702,0.009244776924837026,0.07348961745083876,0.034197261237656415,0.00517600656829184,0.024412261744635223,0.0056531344480885105,0.07062667596875576,0.0026335335346293442,0.09862903136538816,0.002481500854685516,0.006779706813705476,0.1273693390342278,0.0065571724400935,0.04978266665470256,0.008804953784170597,0.0036367033635576456,0.005491155741198534,0.00407623651234471,0.019350809236884727,0.046567295344319366,0.1018878616351637,0.06575690685498163,0.005459456967369408,0.09585312608518141,0.015809746573406495,0.005288410984839988,0.032020245270067166,0.0023241642252421605,0.0053779445912539425,0.014532680213020831,0.03870830445647833,0.002576203383747067,0.07471409185738193,0.005912265441542651,0.026982110485488292,0.006061604386039688,0.047495658215524324,0.009118201436589514,0.011106307964951163,0.010919743118772125,0.015285439389112965,0.0036304645451323302,0.0402809894252296,0.04903238078146521,0.008069379502801843,0.03170898073929175,0.009651480064067765,0.005638445306856777,0.018082722521075515,0.004750547797334099,0.0040267397314358265,0.017950537244996387,0.034559586430914044,0.0042255497220589616,0.029515468865668564,0.009771134582684655,0.003292985907783695,0.00473196360520259,0.012048496318795454,0.019695508113904234,0.33443191594022137,0.01713057419612453,0.01613561426539668,0.009326748237912144,0.004278201095612615,0.008302460955901817,0.006866824616737479,0.012509215367290443,0.008408506368640893,0.030131557304308422,0.007598686772339595,0.018976849265778035,0.00647231761100817,0.012033537177698315,0.0490406353117471,0.007762014401787437,0.005861952343991852,0.01012593256733172,0.1286622156319962,0.004104973183961524,0.061831304281503345,0.0031238671984709877,0.025741981398812865,0.012476377981865414,0.0032883369928529446,0.004009099991475577,0.10108781199610568,0.002724818595803292,0.003611682927376407,0.0026364206039777645,0.005759671100861863,0.002658866162080677,0.00266478623889021,0.0029354802435292903,0.06043414634190112,0.016946037929193455,0.04181433395098008,0.07073942653069465,0.004405631753922356,0.0025026361103508924,0.004983295721188574,0.0032284757704507624,0.002940956153062735,0.002946517217090121,0.0026533505377115962,0.0033537562643288815,0.0033021197277568657,0.0039037022194904187,0.004281128418181248,0.005282702600846161,1.0,0.0067643259559691145,0.00569084941832033,0.0037814306493366653,0.003347493631359107,0.0028391560462831273

CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

PMUXXFUNXMXIFC

C43H72NO8P

C43H73NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413593

159.182861,164.95192,166.857971,169.121689,171.05101,173.099655,174.893616,176.903198,177.987732,181.157364,183.03598,183.97583,184.973923,185.994873,187.040466,192.355026,194.979675,196.985718,199.053467,201.259995,203.169464,206.072601,209.056,211.079987,213.109711,215.201874,217.088821,218.98996,221.064819,221.919983,223.156876,225.189392,227.199677,229.199677,235.069168,237.143936,238.928162,241.247864,243.065155,245.103363,247.127029,249.254364,251.26767,253.317108,255.379425,257.163727,259.151245,261.080811,263.126221,264.338806,265.254028,266.293732,269.128357,277.273895,279.05957,280.30838,281.060059,283.078156,284.205627,285.079559,287.276428,289.150757,293.191925,297.084595,301.089539,307.190369,311.27594,312.25061,313.361572,315.363342,319.262695,324.32251,325.05835,327.261108,330.17984,331.402924,333.237366,335.297302,337.419708,339.376099,341.362244,343.213013,349.305847,354.310181,359.349915,361.148438,364.195953,365.144897,367.366302,369.488464,373.253937,375.254761,378.235992,379.379669,381.226593,383.341553,384.129028,385.27475,386.430908,387.414001,391.840881,393.396606,394.251099,395.297302,396.73172,399.22229,400.019501,400.738495,403.279541,404.332703,413.168671,416.267365,420.22522,422.270172,425.376404,428.148254,429.506622,434.291748,438.290955,439.450562,440.383942,441.492584,445.233185,448.301331,449.813049,452.330078,452.962372,453.801544,458.203735,459.256714,463.252533,473.424866,476.371002,478.124207,479.322815,483.367218,484.328766,492.239349,493.022552,495.159149,497.135712,499.468353,501.518555,503.27124,504.440399,505.104401,507.019928,508.395294,511.424164,522.392517,524.380249,526.377014,530.261841,533.436279,539.682861,547.325562,548.450439,551.354126,552.514893,553.597656,565.595764,568.338013,573.125244,575.591248,576.585876,577.592773,578.608398,581.508789,585.584839,590.378174,591.496033,595.751709,599.407715,603.438782,607.629272,613.599243,615.543701,621.471558,622.198364,623.132263,624.298584,625.520386,626.695679,628.195557,630.67749,636.446899,638.409424,639.523376,647.489136,649.473267,650.29834,657.57251,659.629272,662.814331,663.822632,664.52417,671.546997,679.525024,681.595703,685.511475,697.811035,699.589478,700.389526,701.468262,702.568481,704.413818,708.532349,718.12854,719.454346,720.234741,721.455811,727.292603,727.895386,730.556763,732.080444,741.681396,744.481445,745.603882,746.573853,750.080688,761.451904,762.380005,763.046387,763.692261

4.133678710536385e-05,2.991859825615254e-05,0.0001210209012080309,0.00031018997514715594,0.0003272546788919609,0.00020253319899491887,0.00023506041329537247,7.85179835493009e-05,9.282706860891197e-05,0.00027914494536878764,0.0002218393825085758,0.009529368848858778,0.0020350556659908797,0.00033673364299536683,0.00018571466570619093,0.00012689887604040907,0.0004346576615537238,0.0008906015584704151,0.00012913586630918262,9.619286049131326e-05,0.00013854728280734765,0.00014592274520395658,0.00023476320611124653,0.00023225872595835856,0.0001455661717878291,6.0750308412774065e-05,0.00012120099397132924,0.00020511556171896436,8.078964779964466e-05,7.804701903853553e-05,0.0001837878269669471,8.14117512166036e-05,0.0007372913750714169,3.430890773005528e-05,0.00017699376622516474,0.00052742608179486,0.0007052886802319029,0.0001566551458241827,0.0003623387090657599,0.00019532061201486077,0.00014089494950825766,7.917146788812784e-05,0.00013391219302713838,0.0004239343424856868,9.403337676957893e-05,0.0001551256278418797,0.00031689093003832707,0.0001279280882360534,0.00035638706769021666,0.00035852273655112885,0.0006984788948451758,0.0011374986526692637,0.00028096940299583684,7.632029349821896e-05,0.0005291975086265666,0.0009573163500521039,0.0002584209572199568,0.0006890534629026035,0.0029918322277239094,0.0002650481430159307,5.00096694459573e-05,0.0006929280837850104,0.0010717369227019398,6.686409594597217e-05,0.00014719399159037727,0.0005363818596137456,0.003727801422232889,3.9862726983166685e-05,0.00028195082594445345,0.0001462603350994479,0.00038942384024957176,8.424526386762528e-05,0.00034731185093777244,0.00019507400856131425,0.00012235182148254985,5.708316168627588e-05,0.00011930996868068057,0.0009192054168838034,0.00020121776407726943,0.0003773233499404718,7.379231753527585e-05,0.00012200569697904147,4.336930001650447e-05,0.0016248230156671374,5.970229501121752e-05,0.00018318795455164554,0.009985330920274519,0.00036705822195785,0.0016607086836823515,5.281080983879924e-05,0.00015108928240461727,0.00017675078627675766,0.0006247238036976061,0.00021077169371624884,0.0009526784799723537,0.0001125692463903376,5.794566985616543e-05,0.000900735237537035,0.00018989044772330037,0.00012121350531926352,9.528371393609122e-05,0.00017378540310693488,9.039680194336101e-05,5.178282826754187e-05,0.000264671583348185,0.06090530254612126,0.0006577864079744175,0.00034060394529774896,0.00016192425784643225,5.245370087317003e-05,6.32866366690103e-05,0.0005736223995003437,0.002269644761540709,5.0755769664574733e-05,7.52511201940085e-05,4.941551715512116e-05,6.555337842180613e-05,0.0018667012134077525,0.008104964135809514,7.686558544302388e-05,0.0004557472590921902,0.0002098457969957596,0.00013408655427130106,6.106218053751153e-05,4.6681855999498635e-05,0.0009863424493662693,0.00021648445722467497,5.460477532825997e-05,0.00014144252038711256,0.00020864530011692,9.82580419220601e-05,0.00014076136978891907,0.00042173763237624636,3.855710287660231e-05,0.00021038610946966534,0.00026897120264156944,5.823789756939221e-05,0.00013754433532662912,0.00016181194058177982,8.06548374559191e-05,0.0008022021852484955,0.00022907480440781454,0.00018791720988679928,0.000258982725857943,0.00014501056766644808,0.00012659990268239438,0.0002455705836617165,0.0012931777082505068,6.68806865858559e-05,0.00043791695884797037,9.823325851426676e-05,0.0006891312201323883,5.60627461760644e-05,0.00016915525861361405,7.805763887120835e-05,0.0002477972389645734,5.507963681625079e-05,0.00017348282903312126,0.0001172709266234868,6.573070228023376e-05,5.677146048159217e-05,0.0001121462420466537,0.00023060510862236478,0.0007352313782156338,0.0020739970769109977,0.003621529987300284,0.00026746417773833953,0.0002949109643612103,0.0001447779910519791,0.00016173360222381233,0.00022820076483163215,4.5984912388338904e-05,0.0001770141171062309,0.000487301938286822,0.00020217033572081348,0.0001241575690610489,4.842837408203913e-05,1.0,0.0322165440057714,0.005069844809220282,0.000725298165582719,0.00022549181871578148,0.00020899638130198708,0.0001878382562166383,0.00010045403416727484,5.6317781685595765e-05,0.0002735522361061136,0.00030583129727786666,4.6931319515277844e-05,0.00016312823009969802,0.00012705321684894282,6.0313687438141625e-05,0.00013903710549737646,9.16243383747034e-05,0.000433625783005241,0.004406165772867545,7.862100276302949e-05,0.00037844788994742605,0.00021432354916915938,6.831696198150467e-05,5.645711571341051e-05,0.0005519501127093125,0.0002165089443710418,0.0004656080927796782,0.0005159312296042079,0.0003909663709453001,0.00019280927227048242,0.0006615079756460288,0.002100744891671404,9.103901695331087e-05,0.00011269987489008148,0.00013762082774801613,7.893388901341918e-05,0.00014368409131332654,0.0002515356593534842,0.0001740435379667742,0.03986525813824263,0.0003132872744144608,0.00014679296756560527,0.00010613590672465367,0.002440208207687806,0.0015655752882361958,0.0009288237605937052,0.0005332739519084382

CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

PMUXXFUNXMXIFC

C43H72NO8P

C43H73NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413594

91.054054,93.069717,95.049042,95.08535,97.064667,97.101013,99.04351,101.023087,104.107025,105.069565,107.085289,107.284355,109.064674,109.100906,111.043854,111.07991,111.116531,117.069557,119.085243,121.064636,121.100861,123.080223,123.116455,123.925743,124.015572,124.999794,125.096588,127.111832,129.054123,129.069519,131.085114,133.065384,133.100845,135.079742,135.11647,137.059082,137.131989,139.110291,141.069672,143.084991,145.100723,147.079895,147.116409,149.131958,150.020813,151.146698,153.127075,155.010422,155.084885,157.100647,159.116272,161.094452,161.132004,163.074478,163.147461,167.084656,169.100769,171.116364,173.132065,175.073654,175.147675,177.091003,177.162354,177.224503,181.100586,183.116592,184.072769,184.10144,184.105347,185.076996,185.131668,186.075989,187.14801,189.162567,195.116516,197.131866,199.109421,199.147568,201.16301,203.17804,209.132324,211.095963,211.14827,213.117599,213.163467,215.177567,219.210037,223.146637,225.162338,227.178925,237.115219,237.160538,237.220535,243.210144,255.617188,265.19809,266.283691,280.262146,284.293732,293.230438,308.095886,311.257263,315.065796,330.278992,333.20575,335.257355,354.277893,359.10083,361.270111,364.25882,374.641602,385.272949,399.251434,420.288635,436.571289,577.507935,621.175659,621.218933,621.278625,621.485779,621.691528,621.736633,649.500366,664.443665,681.861511,707.249695,744.499939

0.10090948888384002,0.12262571119753315,0.004566214166574964,0.1252425953591218,0.014308632219546062,0.04819230773032609,0.0064121793452691705,0.010427839628259307,0.005494425296989618,0.08739418205643146,0.07877969638945041,0.003638339544269974,0.00881286124298376,0.06738126536945309,0.04543054569964711,0.013639305894439622,0.024650822128124642,0.08780737071340267,0.12376842738213117,0.005153255979120868,0.13068360100819204,0.0059444291661069825,0.04998885418146671,0.003158311066099049,0.004244305281413894,0.00726757502054872,0.005354736372364303,0.005354949805865361,0.021492616644564082,0.04393916948280304,0.11548874102095512,0.005268402470776842,0.07574547613553403,0.007866490747704333,0.10497980374481777,0.01879336950814651,0.039164070333108175,0.0039675615009983015,0.01508374635031681,0.04474506491849045,0.07907916234374077,0.009775030026528391,0.037495467335195425,0.04244832246409173,0.003565169887317395,0.007954643396103658,0.011274025829442123,0.008564926952457103,0.017401766042861824,0.041698949956076974,0.04884990703388425,0.004847680377441521,0.03014870916628134,0.013074015168625257,0.023527106414834926,0.00788522198227925,0.02533982118461735,0.03570490206302683,0.03663215980000607,0.006282933262116687,0.00826619942061367,0.0051394744458848505,0.011447235911995323,0.003366659340082013,0.00887575995459922,0.01951671583220701,0.3422143186111985,0.003209651955397759,0.0032533758043027184,0.02040325742376674,0.020804888283625915,0.007270764071936873,0.010415444177749282,0.003935700627858051,0.007074741431411747,0.013845854098302303,0.004492298399738313,0.01474041368681399,0.03442102474657667,0.007357129907894415,0.009399887655450643,0.017843751536956554,0.008111425198615676,0.0036999321981199844,0.010910274324668958,0.004823756367285354,0.04739293189666805,0.008334517069690989,0.0054607137678721355,0.013959235302340523,0.004104787874853613,0.004777169036256905,0.12559517825274064,0.0074390844403656895,0.0036519026282672497,0.004934743476551315,0.07139029141938377,0.02959476237559785,0.013636332217315349,0.004881544218633507,0.003621607043355178,0.1037653255108172,0.0038389323031715605,0.007626781384814997,0.006814706308253417,0.024200784787149765,0.05429240797769749,0.003930585155128449,0.006371374353239925,0.017032251808355374,0.0037126149319371754,0.03405171356122994,0.09551731121428396,0.0059977465081004246,0.0037011644312840413,0.00744828698316663,0.003898333911409031,0.004863587550062488,0.007625976825203839,1.0,0.0062909728090973826,0.004700188426852744,0.004447179066749794,0.008031270559831704,0.0040292637197312945,0.004121188076845646,0.004374612810602049

CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

PMUXXFUNXMXIFC

C43H72NO8P

C43H73NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413595

157.071777,159.013977,163.125778,165.162903,166.085373,167.079361,169.229935,171.034973,173.128937,175.074493,177.192856,181.058212,183.999191,185.098831,186.065491,187.080338,189.203568,195.049164,197.083923,199.176865,203.233658,207.36795,209.188232,211.157928,213.026566,215.132294,217.107788,219.085373,220.987213,222.996231,224.127106,225.334595,227.210754,231.150574,235.197998,237.16925,239.220856,241.311005,243.157013,245.163605,246.106247,248.952454,251.1577,253.245834,255.184998,259.372833,261.240356,263.221283,265.213257,266.384705,267.226105,269.203522,270.343323,275.17804,277.187317,279.095398,280.314301,281.131592,283.163666,284.269073,287.636353,289.235962,291.018188,293.286957,295.299683,297.166656,301.196472,302.301819,303.186707,307.252563,308.473419,309.340271,311.258484,312.002441,313.442871,315.470703,325.112488,327.070953,329.393036,331.321991,333.251801,335.343262,339.273254,341.107056,343.071289,348.999451,350.313293,354.368805,357.64093,361.330414,363.164062,364.282715,365.254486,367.309448,372.345306,377.546539,378.503662,381.206177,382.488373,383.423218,385.32959,386.704651,390.230164,391.32312,392.255493,399.285187,400.232941,404.431122,416.293915,420.417786,421.132263,428.431122,429.262512,430.440491,433.154846,434.281555,434.985382,438.42215,439.841766,447.418121,452.309753,453.070129,458.095459,465.197968,478.510681,479.233795,483.265778,484.302032,491.523163,495.897308,497.259186,499.768524,505.386322,506.249481,507.281952,508.35495,514.700439,522.367737,523.245911,524.538269,526.380798,530.430908,532.650269,538.651367,546.091858,547.418213,556.299988,558.470032,561.437744,575.673584,576.78064,577.601929,578.474548,582.619263,590.657593,598.710327,600.661133,601.608643,603.79187,604.516846,605.702942,606.502136,607.842163,609.20166,612.426147,615.039917,615.798096,618.053223,621.472046,622.208618,623.437134,624.279785,624.98468,625.729004,626.704834,629.610107,631.772705,639.576599,642.861511,647.550049,649.849731,652.772461,656.713501,658.503906,663.278564,664.55542,665.274658,666.518921,668.498413,672.791382,673.602905,674.205322,684.422363,685.758667,687.613403,688.456543,694.562378,697.155151,698.353394,702.767578,704.543701,710.283081,716.650513,717.526367,719.342163,719.966553,726.975342,727.866455,728.543701,742.038086,744.489014,745.579102,761.523315,762.517212,763.482178,765.690308,774.114868

0.00010867367155985563,0.00015660105471474933,6.727508264838798e-05,3.3989737193291074e-05,2.1951605198507777e-05,0.00010837471945042613,5.1158036607928176e-05,8.519713157016772e-05,0.00011150145203360529,6.45981809772224e-05,3.136282642322041e-05,5.924225455703497e-05,0.0041696692434260415,0.00045495939992720876,0.00010332410679081617,5.065401034242212e-05,6.716368551151011e-05,2.1528168693700527e-05,4.493483288344303e-05,0.00012456838964544599,8.544111112796093e-05,0.00014655539716720755,8.692176837220589e-05,0.00032465774089351245,2.7764171544690786e-05,7.724652725122076e-05,4.364391434897334e-05,9.53312608049498e-05,3.4822961845257954e-05,9.094388629401595e-05,2.2569504261320556e-05,0.00015389376649176548,0.00030793617497194506,6.3344052349034e-05,9.613036077158715e-05,0.0004616821790361226,5.317659079190804e-05,9.88227684935246e-05,9.501585105092354e-05,4.26282339025204e-05,2.8750712747566043e-05,0.0001697776606714992,6.133363031148584e-05,3.5430040793424524e-05,5.053252479451639e-05,6.275738906918202e-05,9.06906486002851e-05,7.518263019016711e-05,0.00030149164796336176,0.0002153530451002396,6.125996709229323e-05,0.0002805058384641048,7.406172090625095e-05,6.521772542537382e-05,1.6351983561311457e-05,6.232362530708804e-05,0.0012140627217858116,0.0001452178619089503,0.0001212692138545995,0.0007966886089290589,8.280131782475509e-05,0.0003718830297837494,8.158800157714355e-05,0.0003157711663279852,0.00013564279594188833,0.00011505887749840769,2.947275636165115e-05,2.6973082405750508e-05,1.8284227048011888e-05,0.00043939698902065454,3.0184313487610322e-05,7.131457568772557e-05,0.004099398566164205,6.68370120712141e-05,7.891718479876255e-05,3.0990249006702864e-05,0.00010812481802189803,1.887956461739104e-05,7.10754830002123e-05,3.1284064025962206e-05,0.00039726645764459677,0.00015061044175184254,0.00019171750553516727,1.5553657001607474e-05,0.0001146746155712596,3.64435602499166e-05,1.475921264141215e-05,0.0009169800544417821,0.00011342783430893816,0.00024181676321615965,2.9276322374207636e-05,0.003429729508507476,0.0003316638674896121,0.0007120458546904856,0.00023191351490703952,2.7914599193230414e-05,3.4053293045403536e-05,3.937340390039732e-05,2.3089434654696552e-05,3.551323132449729e-05,0.0013854296465075368,0.0003057673485790543,2.9627339176852385e-05,9.107424706560311e-05,6.800339313335961e-05,0.024777180120408845,0.00024078416638864458,7.101361423675351e-05,0.0007624947074702011,0.00037326695808437716,4.2182122167965784e-05,5.813128961814928e-05,4.1694845470261744e-05,2.6366773073306845e-05,1.4927451396681933e-05,0.0012885730566255195,6.921536350125868e-05,0.002904112796093537,2.81613311698159e-05,7.258728124715659e-05,0.001072011961268994,6.417797079251463e-05,1.5867895271602318e-05,0.00012198757241211973,2.2882969124382034e-05,8.5395154074793e-05,0.0001412718184161839,1.4179631342695096e-05,6.632707151739407e-05,6.876537335840587e-05,6.91624874890055e-05,5.154233265597039e-05,1.723698856570926e-05,0.00010922532680234145,5.7677076066846625e-05,0.0016128771685723817,5.980916183919202e-05,0.00023983572685086895,8.555146568196294e-05,0.00013675279412210731,0.0006405849269054624,2.9067991568347943e-05,5.760198356131146e-05,3.721449152285342e-05,1.602069242667799e-05,6.635041400018198e-05,5.542758408904795e-05,7.370667404688969e-05,7.258517712535259e-05,0.00034451589654544904,0.0008063405871826758,0.006691887238027357,2.9572586515422646e-05,7.003696809317278e-05,0.0001351229754936156,0.00012244682448212064,8.402751281429134e-05,6.648870219283614e-05,0.00015547840147402264,2.102431682387553e-05,0.0002320393944678657,2.655606062903764e-05,4.586539686391071e-05,9.360558900245671e-05,2.371222058778927e-05,0.00011132699190197447,2.2801056231233507e-05,3.122889054017167e-05,1.0,0.031183324307724972,0.0010755133488520217,0.0002359948667010403,7.330852491583512e-05,0.00022537614115434776,7.926843286524522e-05,5.4068931788541444e-05,3.2672515240666045e-05,8.086966576688605e-05,4.966666161171939e-05,5.6302728155045344e-05,5.31401913803039e-05,4.8802841891359074e-05,0.0002349077939704589,3.110929301507385e-05,0.0002121196885141488,0.0017936364987413181,0.0001283381949288769,6.785757559673653e-05,0.000135915713809105,6.616932304146068e-05,7.09113311698159e-05,2.3687820357283676e-05,4.4047496284613753e-05,3.216455748991538e-05,3.8058608322465196e-05,2.586901746989779e-05,3.8865484061751235e-05,2.2528680507112312e-05,2.3751065330138604e-05,0.00021773812592884657,0.0001836659261168906,7.39968381304783e-05,2.3874814230687572e-05,0.0001491643413909193,0.0011231698158988201,6.582063025082648e-05,0.00029615620924448757,8.506510266597919e-05,7.353418913590731e-05,6.371823344757514e-05,0.010750372478845046,0.00041199488186588213,0.0011210880508628796,0.0007220190697886022,0.0002633409170179855,0.00013173080889266326,5.791082314761457e-05

CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

PMUXXFUNXMXIFC

C43H72NO8P

C43H73NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413596

90.782478,91.054123,93.069771,95.049294,95.085419,97.064621,97.101051,98.344833,101.023605,102.753922,104.10643,105.069725,107.085396,109.06472,109.10099,111.043861,111.080154,111.116707,111.701225,112.506195,114.822639,117.06971,119.085335,120.256836,121.100952,123.081284,123.1166,124.999176,129.054565,129.069534,131.085205,133.065567,133.100861,135.079575,135.116577,137.058868,137.09552,137.132126,139.111618,141.069717,143.085251,145.100876,147.080643,147.116409,149.095718,149.132141,151.147446,153.127289,155.009659,155.085312,157.100876,159.063339,159.116501,161.096115,161.132111,163.075424,163.147812,165.164017,167.084564,167.143005,169.100845,171.116501,173.131973,175.108856,175.148132,177.163239,181.10141,183.116623,184.072952,185.077316,185.131973,187.14772,191.250366,195.11702,195.893814,197.132111,199.148468,201.163162,203.180191,211.095764,211.147888,213.162872,219.210281,223.147781,227.179947,230.856613,231.436401,237.163803,237.220734,239.180191,245.10611,251.182281,266.283386,280.263,284.293701,311.257355,324.837128,325.2901,354.277985,364.263031,385.272797,399.252136,416.261139,553.521118,596.672668,621.128967,621.187561,621.237976,621.486267,621.658081,621.737915,621.824341,653.892029,660.365601,664.43457,664.643005,751.513977,761.470825

0.00256018212217527,0.09487830888503007,0.0998398249660034,0.0067539206687476485,0.11392505432673448,0.014472359254545963,0.050014779391348185,0.0024680992591658017,0.004686849582530751,0.003232307614811751,0.003224117550688968,0.07652362016583038,0.06675082020529347,0.006567350031470868,0.06380374653120834,0.02486507080067865,0.008144506394965799,0.022049280759512763,0.002782763940029379,0.002632137335358979,0.0038154194106243943,0.07446354710029271,0.08124136003100128,0.003653259610709866,0.12404840347218303,0.00371693074654022,0.0414322050980435,0.005800388897400226,0.01191172436926641,0.032799683096183224,0.10798326043886565,0.0054973778501057015,0.057855812459238466,0.004554577930359973,0.09821110525973782,0.006823755818316093,0.0043341316881523925,0.027121655226322264,0.006909433320416127,0.012840922423242624,0.04143652952451242,0.06501185168137917,0.006651457752434546,0.0297213702458712,0.005127395596165439,0.043614236667569445,0.004637649471920254,0.009875448611416123,0.009593521465408844,0.014131769780282587,0.033496253227839126,0.0032233002396718875,0.04435873496880661,0.0054626328125185275,0.029272669138485575,0.007993478435459106,0.017122747344660315,0.0031449128003191197,0.0030957312221843295,0.0037219798520039143,0.01982691192852627,0.026184714331316385,0.026695415585739974,0.004470818076563144,0.006038042520534327,0.008036077008052462,0.01223472430807964,0.016383837078137398,0.2055141520476934,0.010604887371288419,0.016539512788271492,0.010610176184687277,0.002843702438790703,0.007205004921977386,0.003490910357591594,0.007553671216464079,0.008733082554229738,0.033186561928834575,0.004390521564540893,0.011038602126169013,0.009524599279324232,0.010943936251926314,0.04561551679719054,0.006124707100842907,0.005677396065738304,0.0026550689442057314,0.0026846791807044446,0.005968235162090387,0.11186834594523833,0.00406649840843258,0.002711836785958728,0.003827884557171445,0.036889558241976116,0.02909033723205295,0.006075157757035411,0.09799006657025403,0.002898776129951207,0.0034439623298213396,0.05369007639239026,0.008848054163095464,0.039352562770271195,0.04530548086395715,0.0031312502676328164,0.003778312279235535,0.0037086700434805497,0.00370520832576404,0.00455362699123796,0.004163552543543397,1.0,0.004202400133946845,0.005672001643030709,0.0032418958259715536,0.003194230313631985,0.0036386688301801597,0.004039160851473154,0.0037090419983123834,0.002877032633416797,0.0040884716560601695

CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

PMUXXFUNXMXIFC

C43H72NO8P

C43H73NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413598

91.054138,93.069771,94.833771,95.049263,95.085434,97.064743,97.101028,98.983665,99.043991,99.08049,101.023247,101.27018,104.106781,105.045517,105.048569,105.069725,107.049133,107.085396,109.064583,109.10099,110.865646,111.04393,111.080299,111.116684,113.096298,114.18837,115.05442,117.069664,119.085304,121.065437,121.100967,123.080208,123.1166,124.015648,124.999756,125.059151,125.095802,127.110931,128.060989,129.054413,129.06958,131.085251,133.06488,133.100891,135.079987,135.116562,137.059341,137.096237,137.132095,139.111343,141.069733,141.12674,143.085144,145.065079,145.100922,147.079895,147.116531,149.095871,149.132172,151.148132,153.127029,155.009888,155.085205,157.048965,157.100769,159.064575,159.080154,159.116562,161.09549,161.132111,163.075012,163.110352,163.14769,164.007843,167.085541,169.100647,171.084122,171.11647,173.080444,173.096359,173.132034,175.074982,175.111481,175.147369,177.090637,177.163132,179.086136,181.100525,183.116623,184.072922,185.077927,185.131958,186.077454,187.11116,187.148117,189.091385,189.129242,189.165237,195.116257,197.093765,197.132294,198.052429,199.110962,199.147263,201.127686,201.163483,203.178436,207.117767,209.021698,209.131561,211.096222,211.147736,213.088852,213.126877,213.163528,215.108734,215.179321,217.125122,219.210297,221.133926,223.147049,225.163712,227.178238,237.123871,237.220673,239.179031,243.211258,263.179321,265.193542,266.283752,269.222839,280.262817,283.201721,284.294189,293.22525,306.948853,307.204224,311.257233,313.272705,325.214325,326.989807,330.280273,333.206268,335.257172,354.278107,361.272827,361.751953,364.26001,382.003174,385.272919,399.252441,420.287537,438.296478,444.157501,577.521057,586.843262,620.805969,620.861389,620.943481,620.983521,621.039551,621.094604,621.211731,621.263062,621.313721,621.48645,621.651306,621.73822,621.82489,621.875061,621.923584,621.983398,622.065857,622.10907,664.439697,679.385925,744.490845,762.501038

0.09919231089150725,0.10052870341571221,0.0019305398480729877,0.006854432010959547,0.11814886457774719,0.012865398981160252,0.04147112247518729,0.00337727526784571,0.013219094942772597,0.003204180143567749,0.012188891295941492,0.0019862090021244005,0.004131561550888792,0.0018270674192463854,0.0015520844686370608,0.08143360076834387,0.0056820199632426635,0.0742581281936608,0.013181091361878899,0.06106528979174778,0.0016267258032867868,0.06352498509512945,0.009722824750933341,0.023852611241417007,0.0031468528686821435,0.0023490818382342306,0.006268230681719578,0.08634310309715036,0.10257798446359477,0.006272939322679861,0.12276460115564154,0.009241962651747834,0.0449149236779005,0.004798893987850453,0.006805282515982663,0.005779715433910589,0.005069606155052445,0.0025805094380589515,0.003218135679413451,0.03340439695754441,0.04956540798070091,0.11250736380517248,0.007143780279308033,0.06372992071744402,0.008093718990867499,0.09921415510467836,0.02729924596855803,0.005959454517259365,0.033086423544556216,0.0064899295899317295,0.02039175083842354,0.0026801282601628704,0.048884795143123924,0.0023520045604130155,0.07557115581651497,0.007633887401668328,0.039185817550525255,0.008279155101125799,0.04529312223409058,0.005531015105374572,0.01095888069803237,0.009417354058134429,0.022775871621328023,0.005098011695872498,0.04162059728632252,0.004056391994951465,0.005416145216829247,0.0530275362988873,0.006028485997621006,0.03636638188753854,0.0179591229254946,0.0034744975946126876,0.02445647906432812,0.002052146851647836,0.0076657814735863255,0.024068624383667213,0.0022955472013987286,0.03285052697478355,0.005465237118349447,0.002537366446605401,0.03624809649529372,0.007954365654423697,0.0047681750740558235,0.010018775094991762,0.004932915004804099,0.00662626493105716,0.002428222151569585,0.01247771849232332,0.016914119570638618,0.34072196180727615,0.022715095857678502,0.02493277808640977,0.00613824458194975,0.0061957120510301306,0.01168653428774625,0.0024533371944133976,0.0016352419332471126,0.004241277515445914,0.008702839048600709,0.002561743391100493,0.014652421151417927,0.0021000326964773345,0.0023564180234013714,0.01821912040846969,0.002314500787625837,0.03625433662512457,0.008199395803879043,0.0029346403115812856,0.002634528633161882,0.00817803102478396,0.02447208127595775,0.011589134240520499,0.002204307260703324,0.002440894154177901,0.012660716223883796,0.003465805769323126,0.005244990995109935,0.0023908380148440016,0.0398929491218693,0.002500841210273806,0.007346741492375246,0.0058423152869650045,0.01086839312364379,0.0020807012701726476,0.12112809790421439,0.004261153425442059,0.0033030821311830867,0.002370672511324047,0.005814535265701678,0.12203407847899783,0.003108038162041266,0.03028317998888627,0.0024038541360547243,0.02634532385788282,0.004449270439002143,0.0025488096558413946,0.0031967107294240894,0.09134959345137314,0.002438926556729898,0.0034926676398116135,0.0023515363566007884,0.0030687587188553992,0.009933203583922112,0.018777056176297914,0.06088658073223888,0.0041895894592266815,0.002489969670559118,0.027869894241585313,0.001969936564669323,0.03906200745148426,0.136633078308783,0.00702625949619861,0.010524413242610078,0.002051202742394384,0.0030143057471423733,0.0022502594136626767,0.002311853575115444,0.0025403364524904997,0.002964232731728998,0.0024970619196683784,0.003271276796759352,0.0036536828050330594,0.004121475638699385,0.004499303872338201,0.005275917300579434,1.0,0.005066976739134954,0.005461840331756289,0.003733367663427435,0.0038641195076325433,0.0034358132633567078,0.0025799974484914294,0.002786924755021979,0.0021666257981411536,0.00674477081695127,0.0022087947022873472,0.00291202194661894,0.0026264412476715905

CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

PMUXXFUNXMXIFC

C43H72NO8P

C43H73NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413601

161.391617,163.191833,165.15387,166.15419,167.17923,169.130875,171.132111,173.103348,175.108963,178.217072,179.223938,179.896652,182.093307,184.005768,184.995621,186.119904,189.061249,195.22467,197.134369,199.070709,203.0849,204.179443,205.070038,206.998779,209.184372,211.025467,215.178436,219.278412,221.164429,223.078003,224.224304,225.260864,227.19725,229.294617,235.198624,237.186096,239.129196,243.231674,247.214905,249.141022,250.986069,251.699341,253.281448,255.133209,255.957016,257.147888,259.012604,260.310669,263.399323,265.148926,266.228668,267.291382,269.14032,271.160217,275.843811,277.099518,279.365234,280.248718,281.196747,282.099091,283.029083,284.32135,289.230957,291.154297,293.405945,295.349945,296.261536,297.24234,303.280701,305.197266,307.189087,308.281799,309.395386,311.338379,314.359436,315.35498,317.459534,322.284302,324.343872,325.203003,329.493866,330.269165,331.312134,333.285339,335.299744,339.292297,341.337952,342.131592,343.092041,346.413879,350.321808,353.292847,354.357727,357.209839,361.338623,362.212585,363.371552,364.277924,365.547546,367.254761,368.229309,370.229523,371.352722,373.149475,377.461395,378.138702,378.782135,381.335022,383.294128,384.438019,385.445984,391.413788,392.400208,395.369019,398.188324,399.258057,400.126465,405.484406,408.197449,409.399872,411.26712,415.085297,416.215759,417.288971,419.598572,420.42981,422.362305,423.375183,430.14209,431.777344,434.367371,435.706573,436.417603,437.342682,438.432983,443.406982,444.409485,446.257538,449.496613,452.3992,454.603577,458.364044,460.081329,464.267059,465.284668,466.34787,470.140289,473.48114,475.601379,477.611755,478.428497,479.18512,481.513733,482.595703,483.397675,486.281525,490.464783,495.345703,496.473572,497.334961,498.354584,504.437775,505.223969,506.200287,507.321106,508.387665,509.304871,518.375671,519.123901,522.434753,524.451721,526.337402,537.523438,544.370117,547.506348,549.578491,551.942566,554.538513,568.481812,573.250488,575.665405,576.875488,577.574829,578.774658,584.252747,585.546753,588.546387,589.70575,591.831421,593.562622,594.511108,601.524109,602.645264,603.588013,605.626831,608.423462,618.530029,619.635742,621.504272,622.435303,623.389282,624.5,625.983032,628.729492,634.339233,635.401367,636.335693,638.463867,639.531982,648.187988,652.55481,659.809204,660.594727,661.293457,663.4729,664.557739,668.566772,674.405273,676.596802,683.424927,687.644043,697.568481,698.701538,699.374878,700.493652,701.544678,703.383423,704.711426,706.449707,711.40271,715.743164,718.408813,719.528442,721.100464,726.807495,727.599731,730.546753,732.579712,743.695435,744.543335,745.639038,746.724854,754.093994,761.525513,762.472168,763.605225,764.555298,765.192993

0.00028350425761706946,0.00013850192538429807,0.00020434836635874898,0.0003187810306257456,0.00011025975520627405,0.00037694820991806546,0.00038080746533572274,0.0007543725362731858,8.862631866316815e-05,4.296419562274175e-05,0.00011721550919388546,9.391075760765567e-05,0.00011268392443606899,0.06971113031303541,0.008634788396003745,0.0009354857435297058,5.9412778499504485e-05,0.0002673324124899229,0.0002020543886404209,0.00026872023099819086,0.00024568269790003203,0.00011490701706641197,9.779012506696653e-05,0.0001241779671953814,0.00021822966245440713,0.0003397063392708906,0.0005339419854958605,0.0004149407000806166,0.00016019718783322808,0.0004326868930435244,5.0769869592826324e-05,4.929049528709604e-05,0.0014429181630372086,0.0002890304682779715,0.00027211500341465166,0.0006391566635344298,0.00036235510528937246,4.0923469696891896e-05,0.0001680535800782888,0.00025216941190968887,0.0001853718225339625,5.897940562809907e-05,0.00014634010067659741,0.00022486485065391864,0.0002478849226440187,0.0001990175032135381,0.0004295977338351759,8.834349033884641e-05,0.0002817742824524559,0.0004084929285045537,0.0010657524122502982,4.995321773154162e-05,0.0006265997716719127,6.600503691075863e-05,0.00019633712453808063,0.00011159072104777602,0.0005803030786636473,0.0013677589813897205,0.00010558711230010595,0.00041564275931241414,0.00041611156925067653,0.0035193049515016765,0.0006197701122983944,8.164300372958697e-05,0.0006972605928656886,0.0003210429561469721,4.7867677882813265e-05,7.862118042540227e-05,0.00016857341501111688,0.00014514712578755218,0.000821391566238252,0.0002570796200921871,0.000127232938123773,0.0034863913214787583,0.00012391338868663425,0.00042214080003833993,0.00010407793142283999,0.0002740410819396591,0.0003336217455973244,0.00022646116180314148,0.0002619946371996775,0.00013337523889724723,0.00012410045477340918,0.0010366999217796583,0.00036065135464966014,0.0004034651262222998,0.00038167033326658075,4.9559565046974994e-05,0.0001322104712561639,0.00011325928656886557,0.00030131883809416223,0.00021078864521341143,0.0012909252203263347,0.00021350556733710227,0.000524957018521276,0.0002272676371466178,0.0002408935672754845,0.01120652149382025,0.0002108790398581422,0.00024017813287873107,0.00010551703782817883,0.00010843788466179543,0.000740528177979519,0.0004021586541308727,9.435688125056696e-05,9.673552452986494e-05,8.687864139653262e-05,0.0009239375866713907,0.0001389647214277523,5.974504344908917e-05,0.0006051352171256335,7.107515554209093e-05,0.0005668027940237605,0.00014215312633184254,0.00034507966117070345,0.06902923228566,0.0006432673632898415,0.0002715219172712911,0.00012218705034001032,0.00027098649441075433,9.413895698223526e-05,3.696823295626679e-05,0.000682310510451915,0.00027569974479971655,0.0003096226575403896,0.0008698182843899926,9.635683537955692e-05,9.177876069539082e-05,7.196337165616597e-05,0.0002510760551616012,0.0015056937712987829,0.00011818316568163806,8.918383628841912e-05,0.0002732643364878211,0.007215455457708811,0.00012135651941730125,0.00017431721035794792,0.00011340277656539101,0.0002528266243557947,0.0010814008075351693,7.289039875258237e-05,0.0003754554823559214,0.00010333206606110088,7.793516920069765e-05,8.396291020749785e-05,0.000535387620646747,6.912332352583753e-05,0.00020972084477969077,0.0002587597861863219,0.0003682150487721802,0.0017646305018254264,7.337188278245331e-05,0.00018055425462176102,0.00011573538999772357,0.000263620952097315,0.0001366196310806902,0.00013836578570364933,4.778878522268835e-05,0.0003587287705371187,0.0002563367342921744,0.00017688610741689733,0.0002731240780012563,0.0005631362132796574,0.0006461395622057109,0.0005601404501863081,0.0015634604405328567,0.0002757917497222921,0.0001237022779748976,8.600869700657428e-05,0.0013178708867995898,0.0010570017461792702,0.0004578110942803301,0.00022156868858547838,0.00025962521741660635,5.762805388816716e-05,0.0003270170431341539,0.0001897937002671815,0.00011394864980051246,7.440978901046989e-05,0.00015087499362427192,0.0005861017658627259,0.0015695869452474723,0.019572676186612854,0.0005009816464611714,0.0001223047977995608,0.00012777852654784704,0.0002175077431291902,7.29663228052519e-05,0.00018452732491566068,4.7526846693265005e-05,8.204672338925146e-05,0.0008065593517810106,0.0007393863047649367,0.001530641082966622,5.131231414110813e-05,0.0004858845905926774,0.00025081062221971186,0.0010023464733237826,1.0,0.010704590692635135,0.0017253322954161512,0.0008004869173483134,0.0004894183617545319,6.809903345674004e-05,9.734893084602915e-05,6.666737595571735e-05,0.0002896892033677537,0.00010470431855020223,0.0006443584634580923,0.00011981560401679428,7.367861332621305e-05,0.0001375205103321027,0.00011479816447495665,0.0006025223496226767,0.00019355151913488645,0.0009295025644975499,0.00011737517864875643,0.00010258686890989599,0.00027117050425590547,0.00017623065860843101,0.00019083184748916124,0.00010143298981423952,6.622546970716152e-05,0.000256776329189538,0.001065963347693698,0.002497751478398691,0.00045661928054401647,0.0005389385681056129,0.0014736402925475012,0.0001811647909189093,8.615415877188929e-05,0.0007467977673826311,0.0027952218838949963,5.578092279463994e-05,6.937102150289176e-05,0.0003836115177313705,0.0002537132849633802,0.00015897081337174174,0.004232147918260599,0.038544472090742445,0.0015678646490268672,0.00012093907405600712,0.0006086173060366591,0.006793439218686617,0.004999063565923317,0.0019148126268513147,8.44299345995786e-05,0.00010841344568307582

CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

PMUXXFUNXMXIFC

C43H72NO8P

C43H73NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413602

91.054497,93.070084,95.049629,95.085732,97.064812,97.101318,97.117859,98.984512,101.023575,104.107109,105.070038,105.854454,107.085854,109.064468,109.10144,111.044304,111.117073,117.070099,118.415367,119.085777,121.065994,121.101364,123.080734,123.117027,124.999817,128.059952,129.054962,129.069916,131.085678,133.064636,133.101349,135.117004,137.059753,137.132782,141.070343,143.085648,145.10144,147.116913,149.132706,153.12735,155.010986,155.085648,157.101257,159.083817,159.116943,161.132309,163.075623,163.148865,169.10144,171.116501,173.132874,181.100861,183.117096,184.024704,184.038544,184.073364,184.101761,184.113831,184.120132,185.076981,185.130768,186.078003,187.148727,195.116333,199.148682,201.163437,209.135284,211.096909,219.211227,237.221329,241.334763,266.284454,268.935547,280.263977,284.297058,311.258698,354.278168,364.260956,365.40741,385.274414,399.253326,451.841522,621.487488,762.432007

0.060064622436823624,0.050154655272893936,0.005446824908853962,0.06535699602358547,0.006735556801045404,0.01823486275297708,0.002999545186487267,0.007857021414828011,0.009358470459654622,0.006801678910142268,0.03921685292017979,0.003177000719224084,0.03719652768372316,0.005129811927650678,0.03551577910565273,0.029560030772556745,0.01215614855257806,0.04066682179835377,0.003371599643788678,0.04302831883526545,0.0037987017564411582,0.051795100146380696,0.00355977126736707,0.0162533934187632,0.032822761619819424,0.0029943977337210438,0.012358209110785227,0.017119533563336797,0.0514764708853362,0.004932322547781689,0.03058666647717588,0.045676780902177354,0.009617695236177498,0.013561559935196464,0.005894640485162993,0.023952403738425217,0.03118362749081735,0.019135636968728127,0.009909981599069756,0.0049749190422212815,0.004988309989842477,0.0073909938580123775,0.020871573349632338,0.004570515081477619,0.02394833132372204,0.014353918499637255,0.004962604939166041,0.00592242605316191,0.014873400612602878,0.013019620813135601,0.01315420316947323,0.0045434626835285765,0.004088947784038263,0.004577013730887133,0.005532784074448326,1.0,0.004039988904534769,0.005928921612944953,0.004114389287888408,0.05191555786166791,0.006921554408113359,0.01674662020675967,0.007023822783271551,0.005099708329404728,0.008114750997854206,0.00948827039499613,0.0047972924657370495,0.007535385238132688,0.018654848966254047,0.03534196782954639,0.003624365193185153,0.046118431694450984,0.0030948751722847854,0.012854560287771233,0.007131974634507444,0.031548557792856126,0.015996678854007133,0.006598785739809197,0.003266489994101555,0.011119017538785981,0.029464745358419787,0.004058425296599032,0.18692609469288815,0.004048756133284577

CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

PMUXXFUNXMXIFC

C43H72NO8P

C43H73NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413603

155.105011,159.124237,161.002136,163.180679,164.004425,165.07135,166.061737,167.138199,169.180969,171.119659,173.147018,175.092484,179.052597,181.141266,183.18309,184.029449,185.04306,186.069,187.167633,189.113831,190.087936,190.950363,192.078552,193.152283,195.225891,197.111816,199.181564,201.177734,203.314377,205.083405,207.256042,209.139862,211.105637,213.193848,215.175232,217.169495,218.097046,219.16188,221.113556,223.155518,224.135544,225.216644,227.201935,229.121918,231.227402,235.21405,237.171539,237.931625,239.409393,240.210388,241.226532,242.148132,243.17984,247.167908,249.270905,251.320923,253.172485,255.181702,256.083374,257.25824,259.135315,263.179993,265.224762,266.348328,267.220856,269.316406,271.388611,275.229187,277.093445,279.258179,280.322021,281.41748,282.229797,283.275085,284.287567,285.325806,286.796143,289.328369,293.219025,295.427979,297.24057,299.189575,300.208984,301.251221,304.43808,307.212891,308.429077,309.453125,310.471222,311.24762,313.110474,315.406067,317.293457,319.59552,321.361816,325.342224,329.423523,330.41626,331.275909,333.303711,335.358582,338.306274,340.3237,341.281799,342.0784,343.200562,343.974915,344.924133,346.151672,349.518097,350.468048,352.220642,354.431396,355.37265,356.157654,357.305847,359.199036,360.360046,361.390686,364.28186,365.402283,366.342346,367.365997,371.376862,372.308167,373.25592,374.337524,376.323456,377.407166,378.426331,379.394653,381.26358,383.243835,385.362396,386.005066,391.461121,392.392029,399.290466,400.186768,401.833984,403.337891,415.516754,416.281158,417.382782,418.243896,420.338776,422.18512,423.534485,427.43277,430.313873,431.120544,432.49469,433.160675,434.31073,436.550873,438.333099,439.214905,440.427917,442.350281,443.474243,445.851166,447.442139,448.595551,449.320953,451.532867,452.264893,458.303467,462.671814,465.492462,468.24762,476.078339,478.543121,479.442841,480.575439,484.386871,487.36142,489.456665,490.332489,494.440369,495.350281,496.518066,497.692993,504.278534,505.209106,506.626862,507.2948,508.335754,511.580322,520.698364,522.38269,522.995117,525.607971,526.396729,528.599915,534.719604,543.630127,546.598389,553.769043,562.609131,564.682617,565.530151,573.622131,575.621582,576.692993,577.590332,578.633789,588.487122,589.588196,590.596558,593.608398,597.68457,600.617432,602.653076,603.648071,605.781494,607.704407,612.493408,613.676636,615.436035,619.863525,621.530273,622.168701,623.964111,632.224976,637.397705,638.278809,639.661865,647.768555,652.374634,655.255493,661.507935,662.487183,663.539917,664.514404,672.767212,678.653687,682.603271,683.533203,688.848145,689.501465,698.521729,699.70752,700.481445,701.412476,702.440918,703.463257,704.536133,705.692017,706.396729,715.789429,716.734863,717.61084,718.686523,719.602295,725.558228,726.278931,727.019775,727.69165,728.691895,729.450195,733.54895,744.524048,745.310791,746.186157,746.913818,753.678955,761.4823,762.482544,763.599976

6.36181131753777e-05,0.0003241855052401638,0.0004719939774466987,4.084871151190075e-05,6.76618171769176e-05,0.00011643934957259044,0.00015275476663300714,0.0004283380156077905,0.0002041955109209142,0.00037800691065224004,0.0006769406230195566,0.00011699798400164447,0.00015141367682658472,0.0004994281006763576,0.0003134728945904314,0.011460075213797794,0.0029529903213085084,0.00014709334485689816,5.252456131968527e-05,0.0001702701189128865,4.410652823331585e-05,3.185487525715027e-05,5.704128669227015e-05,0.00014474837736650446,0.0002510443324185821,0.000425496418576584,0.00018055464582148356,8.585338345743772e-05,0.00033258740284825114,0.0002067740046330086,0.00025480653736419204,0.0005167725220576602,0.0005677668698975195,0.000522480348325341,0.0006278970443559026,6.208928352730832e-05,5.040529678879491e-05,0.0003659217510874849,0.00019050201596089984,0.00038339346653930577,5.832879453307656e-05,0.0008478566684687042,0.0010549923052418956,0.0001842440704422408,0.00010461033726598413,0.00024448229448418017,0.000330112585811362,3.512628120641529e-05,6.283424628961758e-05,4.53185895667518e-05,0.0004438389701272955,6.871861258726172e-05,0.0003512206513233015,4.3851155920950736e-05,0.00010449335735482522,0.00024210663360542482,0.00010713182633525123,0.00028904542261836254,5.0541456608100454e-05,7.379809620753533e-05,7.024002489711568e-05,7.436162017546272e-05,0.0008734910815967095,0.0018722445196031787,0.00015974069991109432,6.429011110193337e-05,0.00013222971866567318,0.0001429940292698326,0.00013241762456713094,0.0005204814402550957,0.0011223888510966157,8.685195645300867e-05,0.0002897460935389152,0.0012222977214505072,0.004658281139382336,0.0001375346838323691,3.616988408734639e-05,0.0012133334438420781,0.0005536323016289478,7.371777861238159e-05,0.0005146020834284104,2.3619406481658092e-05,3.653420086113701e-05,0.00025553768026002525,5.9451072862143555e-05,0.0013683816163942277,0.00010792531546449233,0.00013660970300961473,5.752247267067914e-05,0.0040890809426790435,8.179716961681806e-05,0.0003018486524816235,3.634301989118859e-05,8.785476397375487e-05,0.00015261718607976482,0.0006585966599604534,0.00031505300904340083,9.896471884853567e-05,0.00013761402351974815,0.001939350165571569,0.000507854104633645,3.3893028796013096e-05,0.00014104211612604178,0.00015418786280015415,7.158208338576773e-05,0.00023105900651296179,9.662609853313228e-05,0.00019842875187149196,9.124433070394442e-05,6.427923418432639e-05,0.00011139508908329512,0.00020920298916211874,0.001046369114484836,0.0001269578455290504,6.0339926450505294e-05,6.0894806082726376e-05,8.356090009279975e-05,0.00010680751152477173,0.00011419205292757836,0.02011858708634962,0.00033094922281477426,9.394965720930486e-05,0.0006367318137630032,0.0003228847126144939,0.00020091419673627184,0.0002598360923346871,0.0001199657772635089,0.0005442021432213377,0.0007436747101612968,0.00038542267129947587,0.0001039752046174246,0.0006383656670158543,2.7617637771675722e-05,0.0006373619738427839,5.506644806904482e-05,0.0005330315672900722,0.00011288481164592266,0.12346473056169356,0.0017013513535057406,8.706622896220242e-05,0.00013181960628628377,5.2260111070996785e-05,0.0007250430853821741,4.099667080331766e-05,0.00013208022793377894,0.0021433182483560566,3.85608132431497e-05,2.8206808754825646e-05,5.2473165808244715e-05,8.239573220482287e-05,0.0002204621395513524,0.0001955549576880816,0.00012090445802065369,0.0017834230292153451,3.0337743600196762e-05,0.014113435211058253,2.6123606879512583e-05,0.00011206413483543667,4.55212563402801e-05,8.76162928599105e-05,0.00011519113332812674,4.3017212776691345e-05,2.2186402569961528e-05,0.00015217088188716746,7.61697808763767e-05,0.0013397091667043922,0.0002790347098866737,7.216594045497226e-05,5.289098151774594e-05,0.00011385132587246545,0.00020764391817739488,0.00023026577569898191,0.0012189549835869614,3.7355440429870706e-05,5.528360817383736e-05,7.17424879374491e-05,3.303973045825123e-05,0.000431187565058825,5.676078399520498e-05,0.00029077874569787893,0.00039134327553805315,0.00017617383117848802,2.1244382165510773e-05,0.0002290110000919919,0.0001364894941576904,0.00029421985554822983,0.0018041719165820835,9.414272941598731e-05,7.114617638243506e-05,0.000993063278657548,2.3035088135201356e-05,0.00015627195955333648,0.0005613293214679424,1.9098667996979043e-05,4.228614368521846e-05,0.00014273274338309422,0.0001234242126874525,4.8762107284359136e-05,4.8868376337721864e-05,0.0001391278616571209,1.6771109110083503e-05,2.2423877324941128e-05,0.0003503537822087798,0.001962062811681935,0.0076684561584808245,0.00020261252732343605,0.00012257998306046896,7.447419027609056e-05,0.0005179815297356867,7.488874014264617e-05,0.00012407090494395226,6.394147775471767e-05,0.0006670286143942943,0.0013107779866037956,9.555656264508228e-05,0.0001745930432607304,6.225022316060226e-05,9.248383803388651e-05,9.03947871630155e-05,0.0003653699989150338,1.0,0.04535874360394743,0.0014879447447442877,8.059321753747585e-05,9.453657715946401e-05,0.00012036449609476888,0.0007456988500972375,3.126481862167611e-05,2.803656054658224e-05,0.00014660474154027373,0.00020094393989349393,0.00018231588540030337,0.0008995198498731689,0.0037828439751863034,0.00011703777377741958,2.9497084259145284e-05,8.31675044010302e-05,8.660653850374613e-05,0.0001699960002929918,2.776811563688967e-05,7.266344642256424e-05,0.00022686674355957713,0.00022271630000187726,0.0007088441814779045,0.0002463149859093664,0.0003867730143275775,0.00012867408289914516,0.0003750940462855681,8.716233146492658e-05,2.9615503355331063e-05,0.000104815218170323,8.030145044991186e-05,0.0002730942245985264,0.002184549266454584,0.00011617384761176692,0.00019412236892591203,0.00018447595451692367,0.00013733774612231315,0.00014584689991708295,8.04831752361901e-05,1.6461416788498863e-05,0.06597697639390435,0.0019442924837881272,9.992955402588043e-05,3.474512781291923e-05,0.00020369792192341684,0.0030524951773682847,0.004262377769184446,0.0005270534971314154

CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

PMUXXFUNXMXIFC

C43H72NO8P

C43H73NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413604

91.0541,93.069771,95.048744,95.085396,96.972595,97.064636,97.101051,98.983444,99.043915,101.023254,105.044365,105.06974,107.04882,107.085327,109.064644,109.100983,111.043953,111.080215,111.116631,117.069649,119.085289,121.065109,121.100929,123.08036,123.11657,124.999557,125.059296,125.09594,129.054306,129.069458,130.328537,131.085159,133.064697,133.100891,135.079742,135.116516,137.059341,137.095474,137.132019,139.112,140.434601,141.069962,142.077866,143.08519,145.064713,145.1008,147.080017,147.116516,149.132248,150.264938,151.147507,153.068832,153.127472,155.010422,155.085342,157.0495,157.100891,159.063736,159.116501,161.095459,161.13205,163.074875,163.112747,163.148117,165.09082,165.953308,167.085205,169.100815,171.082352,171.116302,171.752243,173.080887,173.132217,175.074478,175.111435,175.147522,177.164307,181.100494,183.116257,184.072876,185.077362,185.132065,186.078506,187.147797,187.925629,189.090088,195.116043,197.132416,199.111404,199.147629,201.162918,203.17627,209.131851,211.095947,211.146591,213.162888,215.105545,219.116989,219.210358,223.147537,225.163071,227.140915,227.179428,237.116531,237.167419,237.220627,240.0392,243.211105,265.195923,266.283691,269.180023,279.270233,280.262726,284.29425,311.257599,333.205841,335.258392,354.278198,361.278229,364.260254,385.27298,391.213989,399.252319,420.286102,432.816254,438.299805,441.206879,495.274231,497.569946,577.51123,621.486084,664.434937,679.439514,714.896851

0.19791693612828004,0.18048770599227262,0.015225268280656594,0.19725086636409686,0.004938469280139899,0.023304528916780497,0.06548173940421032,0.005899039328146645,0.01715058056274059,0.03334545429084443,0.007247234638120843,0.1484788834121511,0.011719566971340837,0.13791584034510057,0.029866850829419117,0.107420922174853,0.13924032773264114,0.01773834728623016,0.0424702777596053,0.1584396152079298,0.16574877415707018,0.015374525710837953,0.2057908851043626,0.010924660930906114,0.07285670973176916,0.01087939157405218,0.010409734357272542,0.007338732214349503,0.058077388337427274,0.08878172156953831,0.006008400845601345,0.18383810023656008,0.010390406022313356,0.0998041122946661,0.014459779721342703,0.15761436727423644,0.06236705440865601,0.009553148809385513,0.03646811860876524,0.007240575732520355,0.004478137514052597,0.027405472488504615,0.007611008544436507,0.0815369090613342,0.006569013404339844,0.1256953224310985,0.020537263333537472,0.05816114013148457,0.07122909917225888,0.004428561470929298,0.008638745964347943,0.005471417404530835,0.01645189906394102,0.01673185953836642,0.04240531027963354,0.013040742655602039,0.06723150950717231,0.009437413466162739,0.07866276452437054,0.010840277378190233,0.04914479105368629,0.036525981541992485,0.005444643747561528,0.03291818976567792,0.005791275539447529,0.004782314704617996,0.016698589945139515,0.039708165790537035,0.0056177389008304785,0.0526161927926531,0.00464234749796167,0.010412803043588478,0.0529248061982673,0.014494924432993191,0.009396265338330243,0.013806710102427325,0.010047329455579889,0.02813755516778888,0.0437491271673097,0.5263751642233252,0.03928896114026733,0.038653687299757024,0.010638798954396837,0.01997436023214004,0.004829616245677836,0.006060778904995709,0.0204502780972175,0.01745795418179751,0.006645319254959589,0.0290472803343828,0.05025705662470816,0.007065588293895135,0.018865817632836936,0.04965899813087633,0.014863471445701852,0.016369056379371097,0.007449159324485686,0.006190809331727794,0.05331083248862431,0.010246892484684553,0.010470599600598618,0.005570984371263787,0.01962424192167147,0.007206660748070667,0.0048511071092458705,0.14862416067733708,0.004927698350411743,0.006207585736116311,0.008850683866210624,0.22238581174968405,0.004701181217348482,0.011578275813550002,0.04706558926021479,0.057725829946573666,0.12870253582536229,0.02061383946624901,0.02058918328440005,0.06653569399282963,0.008051706427466311,0.04407755843733918,0.04998421968940303,0.004302795978311286,0.22386936354667628,0.010916061734680578,0.004127983044275581,0.011657012688266534,0.005452183293505358,0.005188226478462256,0.005437031300412596,0.008091834637533251,1.0,0.005961456702990804,0.005223883207473873,0.005118615615073013

CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

PMUXXFUNXMXIFC

C43H72NO8P

C43H73NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413605

157.132904,169.105591,171.112671,173.124359,175.251648,176.071564,176.997192,177.751678,181.167862,183.983017,185.04921,186.04184,187.169098,195.034546,197.072418,199.15033,201.051392,203.083618,209.049637,211.099411,213.113678,215.232208,218.011719,219.250641,225.118805,227.161835,232.099197,233.099182,235.085785,237.143219,241.178696,242.915924,244.097656,265.114197,266.179321,269.235901,277.110107,279.113831,280.259094,283.319733,284.252441,289.195496,293.350647,307.084351,311.248108,311.959106,313.432312,319.295532,321.328247,324.19516,325.272583,331.011658,333.22879,341.369629,354.29187,361.215973,364.231934,365.123291,367.124695,369.373016,378.343689,381.306824,385.310638,392.425598,394.296356,396.97226,399.275604,400.108185,402.977905,404.31665,405.262268,420.381042,421.362885,422.277313,428.132477,429.448944,430.773773,434.242004,435.280884,438.326538,439.126404,447.48172,452.385101,460.097412,461.098358,464.022949,465.375854,470.612274,477.490387,478.220459,489.422668,490.270996,494.151337,496.337311,497.360596,501.598358,507.170563,508.364227,524.348694,526.34021,527.528259,532.493896,536.664246,537.703369,544.244019,553.523438,572.865601,577.523132,585.083679,590.642944,601.671753,603.621765,614.627441,619.978516,621.483276,622.572144,623.457092,632.961853,637.4505,639.66626,645.679138,647.599487,661.384521,664.608276,672.700073,678.63855,682.465698,698.777954,699.671021,702.675781,704.849976,707.670166,717.53186,719.670532,720.523315,726.578735,733.708862,744.55835,745.619873,750.797119,761.710815,762.560059,763.445923

8.126127019848516e-05,0.0003711008364359342,0.00019042477948490134,0.001250048886459253,0.00022299082295495674,0.00014128459420306713,0.00012321056026162025,0.00018654417899796526,8.953000727515039e-05,0.017978751169971,0.002079115281680391,0.0007890309792337418,0.0004238846871779133,0.0005106586648767071,0.0007403152935367474,0.0003519519862586329,0.00014545966456266365,6.449788292748449e-05,0.0002935995740716491,0.0010812846557360564,0.0006103523371467528,0.0001406971432559281,0.00019219030202567353,0.00011433547410605511,0.00020351066715642926,0.0004299224841918373,0.00014751783199767977,0.00012452123094494036,0.00026630673369760366,0.0006438572359606295,0.0006345117856310714,0.00024807097305042667,0.00034788259655707917,0.0005065462441051209,0.0005242086013363915,8.615264458657899e-05,0.00010205221674470224,0.00015027976874101628,0.0014838684349646955,0.00026453501583536474,0.0042691259531516335,0.0008359011795198701,0.0002181442565895641,0.00032196391690495065,0.00524516924236006,0.0004346154402028787,0.00037774599106946214,0.0001655454970796218,0.0002576548231920839,0.00048652090001752193,0.0003945724601602034,0.00043994327258701566,0.0012937981095114618,0.00039680195945051037,0.0018942259258745093,0.00025622612923353535,0.011525286914447009,0.0003717304539896452,0.0007038884602007251,0.00020626532799897346,0.0004294391050401897,0.000460743488102559,0.0008483642452810013,0.0002905125030156793,0.00043010853593883027,0.00015875468035300426,0.06974020978997365,0.0002056562654653226,0.00010987911694157029,0.00026435563966731665,0.00013068900964529609,0.00057491185661913,0.0002072583083605698,0.0002604421655560087,0.00036597050993964137,0.00010076800824842219,0.000192590884788107,0.0026769123916559764,0.0001333651964159285,0.007873004122335088,0.00018086475011415494,0.00016875714692539536,0.0006687954219455906,0.00018670662608991247,0.00024756242840692967,0.00021458463618807632,0.00011219234912317366,0.0002720094550690989,9.234076219112972e-05,0.0005542893603833355,0.00044194162395314187,9.237925482799466e-05,0.00024208530798574388,8.853344899534263e-05,0.0002895077563458709,0.0002826589005030322,0.00035823461853486203,0.002635453948748273,0.00013047010828680527,0.0012448554061045979,0.0005057870530838346,0.00020681310967842636,0.0003741871630928131,0.00010261435812274856,0.00014545121203105013,0.00029305395355084743,0.00032668124598300263,0.006043106308369575,0.0002688205214020367,0.00032917128495514657,0.0005667361694288351,0.0005016110222092819,0.00012698358307347527,0.0006500284004762053,1.0,0.009523349849938297,0.0014259676569100608,0.00046610635526971896,0.00032414980881625163,8.980656354387996e-05,0.00029820927744887227,8.687312685513521e-05,0.00019183227007579437,0.0036026569464554185,0.00019365319031665852,0.0001223791145027628,8.888014686874e-05,8.372100492376476e-05,0.0009579378224150423,0.0007970545688807412,0.00018400428929960075,0.0002430090352190068,0.00023784578707259428,0.0025828900559312362,0.00027989830848063415,7.195913909344647e-05,0.0003160930573903934,0.05463952995399659,0.0013545607178648653,0.00023621860269837169,0.005350813640963262,0.00609099650350044,0.001028903620953784

CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

PMUXXFUNXMXIFC

C43H72NO8P

C43H73NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413606

90.03038,91.054192,93.069862,95.049492,95.085464,95.146919,97.064751,97.101105,98.98423,99.043976,99.080246,100.246651,101.023239,103.053772,104.060905,104.106621,105.033195,105.044571,105.069832,106.915337,107.048943,107.085434,109.064651,109.101036,111.043999,111.080582,111.11673,111.93779,113.095726,115.054398,117.069717,119.050064,119.085373,120.900627,121.06488,121.101036,122.303001,123.080765,123.116646,124.999748,125.058739,125.096001,125.132133,128.061813,129.054291,129.069611,130.738983,131.085281,132.929199,133.065384,133.100967,135.08049,135.116638,137.059448,137.096558,137.132217,139.111115,141.069778,143.085251,144.092987,145.100998,146.858566,147.079865,147.116669,149.096741,149.132339,151.147491,153.127075,155.009781,155.08522,157.049896,157.101028,159.080963,159.116516,160.778839,161.095261,161.132156,163.074844,163.147797,167.085007,167.143021,169.100937,171.116409,173.082138,173.132187,175.08696,175.110718,175.147552,177.163544,181.101364,183.116547,184.073029,184.115585,184.121994,185.078644,185.132126,186.077652,187.11264,187.147766,189.092026,189.162476,195.115906,197.131927,199.111679,199.14772,201.163544,203.106857,209.132782,211.096252,211.148407,213.163498,217.74942,219.210297,223.148132,224.090347,225.163284,227.178024,237.165344,237.220856,239.181381,242.217438,265.193634,266.283936,280.262939,283.20639,284.294342,293.244843,309.655243,311.257538,333.204163,335.258636,344.504639,354.278259,364.26004,385.272919,391.219086,399.25238,405.660614,438.297668,468.956482,544.523621,577.516602,621.040283,621.092407,621.182251,621.240234,621.312012,621.486877,621.68573,621.72345,621.788391,728.582092

0.0023841802380242063,0.16028926316396286,0.14547389896911064,0.011688169367463827,0.17268041705156217,0.0024095816481119457,0.015563305704372482,0.07329278014500148,0.004342405848259165,0.006393608511474037,0.005090262888051411,0.002467819455608183,0.010604795800290449,0.004141840479457038,0.0028547617906661956,0.004944099140558417,0.002911420581720865,0.004661897617021208,0.11392686865341291,0.002879199892346569,0.004802381240444963,0.11599972435927652,0.016679732308689136,0.08967454527870397,0.05598513213561323,0.014965020621405858,0.04382992180416054,0.0026223249143446305,0.0036185702827496676,0.005208298913818484,0.10717265040734335,0.003012063099721126,0.13095342731626416,0.00301335058861836,0.010164841733760123,0.17702548304505636,0.002839119425017508,0.007624860594179607,0.05657228265718172,0.009720994687244265,0.003860744039509507,0.008191403525526398,0.006756697381422039,0.004292170803268356,0.02222016328603859,0.06089882701154946,0.0027641084459483203,0.1531448641967279,0.0026983160399497923,0.005791775048731251,0.08899136844465295,0.014573030033985988,0.14560447023739953,0.026585733957159047,0.008042198472453419,0.042976828018794405,0.00922137336308149,0.019988056722820783,0.061880694967088916,0.003391413764485411,0.0910696636800548,0.0026579660695346726,0.012203087224440488,0.04824226640107372,0.008419230382714497,0.061098800441056936,0.008430900089608855,0.018811569676614435,0.011552727089048068,0.020362404346993945,0.0035401709558973405,0.05978664329004279,0.005221326020403715,0.06417985302830327,0.0031314877594424972,0.007221357145637932,0.04602982558595851,0.013769950909485403,0.028133039760455624,0.01107360262813143,0.004065817747475111,0.031348791492521864,0.04094611724180975,0.005510881968723701,0.0407989264847571,0.00283597434633,0.0044638117556849094,0.015089641355513165,0.012047886216101455,0.01517482268054686,0.024726495890847376,0.45002243490394034,0.0035648571176325893,0.003525117878235757,0.02298457950897655,0.02675023693847093,0.008983709364167234,0.006471335359750821,0.015844393632227373,0.0029104187595828707,0.003476798798315341,0.010004508538244113,0.01537806807939058,0.0032204080560533778,0.020366245533454046,0.04717515462871663,0.0039610164210224855,0.010462094218564297,0.017679907566071556,0.010885594154196038,0.009017585004361417,0.002689411716594254,0.06083912284492515,0.010198749329187328,0.0033334800898728806,0.008382449723450883,0.009224949093188101,0.004167452505694877,0.14881484490845437,0.003513002077218711,0.003818569620648403,0.005402389952399676,0.10381628302138914,0.03951196543029568,0.003749738444092016,0.0152949379128549,0.005850015344735445,0.0033096495097332426,0.12106755418534856,0.004891849822804362,0.00813328849217508,0.0030078791271041863,0.08108042258001284,0.019094385117390398,0.04590500330596375,0.003551959901859892,0.08566832522692393,0.00319014396187472,0.006616763811285166,0.002838540812031828,0.0028053807457893054,0.007635966037708936,0.0034909771305443346,0.003391574517448031,0.00541035441048823,0.004648231033662222,0.004701675184092,1.0,0.004318960312397468,0.004077279838383168,0.0060113024527970035,0.004150588491952946

CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

PMUXXFUNXMXIFC

C43H72NO8P

C43H73NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413607

155.02446,157.117249,159.139465,161.011505,163.2845,165.013367,166.227875,167.148117,169.098358,171.099182,173.00827,175.194153,177.123825,178.021805,179.075363,180.953278,182.075089,183.994888,185.097839,186.103912,187.119751,190.174789,193.189606,195.097137,197.077789,199.108917,201.213913,202.071289,203.134735,205.053314,207.10321,209.039398,209.683304,211.160751,213.176636,215.091873,217.07135,218.272171,219.076782,221.108246,222.151672,223.129013,225.152466,227.111664,229.12767,231.238556,233.078278,235.227783,237.148071,239.191833,241.194122,243.129791,245.291687,247.17276,248.23439,249.51712,251.155273,253.178085,253.778412,255.053665,259.257202,260.22644,261.432343,263.151062,265.196838,266.252563,267.190765,269.168884,270.26062,271.247986,277.131836,279.036011,280.323334,281.135437,282.082336,283.187988,284.252594,285.001465,289.151184,291.208862,293.245056,294.179474,295.311462,296.180664,297.337463,298.606995,299.259583,300.239136,301.300781,304.33667,305.207031,307.254822,309.177277,311.307495,312.232971,313.250916,315.390198,317.049927,319.292236,321.104919,323.175232,325.147247,326.424988,327.309235,329.270325,330.3703,331.417542,333.232025,335.304352,336.568939,337.284424,339.37262,341.273346,341.997162,345.423584,349.341064,350.446075,354.312836,355.229065,358.271606,359.24176,361.364716,364.263184,365.456787,367.234436,368.252808,371.019836,372.395569,375.264343,376.29422,377.339355,378.46991,381.19696,383.32605,385.313141,391.372864,392.433838,395.236328,397.225647,399.271881,400.212006,400.822205,401.625519,404.29071,405.313232,406.524963,409.464203,414.427704,416.419495,417.333435,418.274658,419.310333,420.278625,423.253387,424.293854,430.26944,431.203339,434.29422,435.432159,438.347137,439.354004,440.421021,441.411255,447.47226,452.413788,457.313324,459.340851,460.395172,462.432159,463.527893,465.225403,467.285278,468.227295,474.54953,475.451752,476.276855,477.410309,478.345581,479.308319,481.469971,483.454712,484.451782,485.469635,487.70462,490.360718,491.48941,495.454254,496.363708,497.441589,498.561615,501.620697,502.359131,504.027771,505.539917,506.244629,507.243347,508.267914,509.188599,509.796082,510.579834,511.407288,513.510986,515.622803,519.349976,520.550781,522.348999,523.469177,524.479248,526.403198,531.477905,545.069885,547.485107,548.873779,549.780701,551.692993,556.470459,559.65686,563.50708,565.701477,566.403198,568.750488,575.646667,576.53186,577.602539,578.321167,579.101929,582.599548,585.856018,586.63623,588.120605,590.774597,591.543823,592.757568,595.458618,599.724121,600.632446,602.053223,602.870422,603.647583,607.611328,609.519043,610.456726,613.730286,617.858154,621.520813,622.443604,623.41864,624.075134,624.966919,625.807495,626.959045,629.219849,635.465515,638.3797,639.561584,640.805908,643.316772,645.531982,647.62085,654.801514,656.629517,660.213501,663.467407,664.432861,669.472778,672.162476,673.55957,680.135986,682.407837,685.385986,688.377197,698.88623,700.78479,701.49939,702.785767,703.620239,704.920898,705.648804,706.566772,709.726074,716.533691,717.569702,718.574707,719.522339,725.927734,727.333008,730.822388,732.406494,740.901978,744.471802,745.519531,746.286865,748.266235,749.970703,752.72522,761.645874,762.628906,763.626221

1.8316308754007094e-05,0.00012320179467883318,0.00019984390091336938,4.418472503617868e-05,0.00019970237437475955,5.23216602008207e-05,8.130765415816741e-05,0.00014274399773948784,0.0001544962267055525,9.210266005365856e-05,0.0003825508582921839,0.00018753203457007095,7.162608484400549e-05,4.9953979252575256e-05,0.00011450072654022023,0.0003242236707704314,6.348001609142234e-05,0.0091302596738976,0.001962850719425794,0.00020131079446471175,8.901176438928401e-05,6.143894058516709e-05,0.0002221808530509233,0.0007973931743254724,0.00033568988349822945,0.0003595788132713762,0.0002991683336743102,5.1073538795976385e-05,0.0001542731556022952,0.00016418169491582885,0.00015172919030416581,0.00034215443633457573,7.053067811444722e-05,0.0004268522315194178,0.0006808654489891423,0.00022507979419337826,0.00021045718434648303,9.857882821008143e-05,0.0001289483200260548,0.00019800931094533504,3.106685854603595e-05,0.0006910224598665328,0.0003005141037799268,0.0017559385199175852,6.616678269767377e-05,3.364305923917068e-05,0.00012741503674974458,0.00017774687667166495,0.0004564990985391959,0.00020333934603857851,0.00035186533212820713,0.0001498340081001686,0.0001377251148982436,0.00017832971756629633,2.756279516524168e-05,5.640710662813399e-05,0.0004044596980749942,0.00016831857964909723,3.470210113418676e-05,0.000419960142686884,0.00015188261695178582,9.348067233496942e-05,6.375961779799459e-05,0.0002455251714534269,0.000988536827563585,0.0012632294306478026,0.00016353120986878415,0.00045939188281613456,0.00011657855338028466,4.631571247717742e-05,0.00020914868768772045,0.00020500688017431454,0.001339699551489214,0.00029751425920603004,0.00010609749338061734,0.00042700675663863874,0.0038060192149890516,0.00014547872415829135,0.000466149239360331,8.438166590719419e-05,0.0006290457767485729,3.819352531088135e-05,5.6149942221114235e-05,0.00015317572144675745,5.165599319134076e-05,7.286300455079579e-05,3.221874163339803e-05,8.682796894317349e-05,0.00031987304516182483,0.00014566594575936246,0.00013833926901419058,0.00046094002936250187,0.00018278711190223857,0.003433374549892044,9.28927662657337e-05,0.00021322217297982353,6.926603895145546e-05,4.58348192400776e-05,0.00025703030533548037,8.840072939022855e-05,0.00013878964237057544,0.0007467672830489452,8.468828865901177e-05,4.996749316554236e-05,0.0001946535276692897,0.00015041363494826387,6.462985141073822e-05,0.0011899385781891302,0.0003400762636793777,3.7815705325669604e-05,5.76667213006548e-05,0.00018280746753030042,0.00010432911005895067,3.279373727097826e-05,5.322322737694666e-05,0.00017295461801465877,0.00020755417479069126,0.0006647835060590222,0.00019605166503523997,4.7055024548742504e-05,6.758403482561816e-05,0.0001674377817230557,0.015854338258267753,0.00044043593811731417,0.0011076892016152024,3.8330834260998676e-05,0.00016266268498964196,0.00013859875919750123,4.199243338688312e-05,0.0003787533538187833,0.00018355668618834063,0.00021599540015017108,0.00033567353525730434,0.00024079598676451905,0.0010329108355302589,0.00022614392838575425,9.227914104352047e-05,4.315450106896501e-05,2.2163061370849752e-05,0.09293845285233386,0.0009557929147946051,0.00012084140297114954,8.604123951416788e-05,3.995946758454592e-05,7.003500297555699e-05,4.9049014951313066e-05,0.00015488230556983797,9.914787718350101e-05,0.0005762208470372998,0.0001713284935460026,3.774177547465087e-05,2.6767372893073092e-05,0.0015533841674516549,2.098483530713183e-05,6.873105615904275e-05,2.4032429492224933e-05,5.368658575256482e-05,0.0014971546063815395,0.00015390396065335753,0.008445348018327779,7.256305399685059e-05,2.9441079892513366e-05,5.283664674168298e-05,0.00019914605953508417,0.0008257292121295082,7.319488536874604e-05,0.00011189608763786122,1.9702464642680477e-05,3.036772205617186e-05,0.00010296285549218319,6.368629142828748e-05,3.361972688868408e-05,2.671284259298205e-05,8.271567776852614e-05,8.720581605114081e-05,0.00011258133727686899,0.00020028047556785357,6.195768362767704e-05,0.00045391303872440835,6.616629448807335e-05,4.6171317707165144e-05,5.071738311178315e-05,0.00010831303601213277,0.00016228979456525667,0.0001478256222950746,0.00015602765207310557,4.4758289948402135e-05,0.0003181408842802336,0.0002808659253325372,5.0891063677131565e-05,8.198558065316892e-05,0.00012835876624941767,7.695485194842565e-05,0.00022050898605498355,2.0738343704432313e-05,0.00021557819114317013,0.0021630161673872384,0.00032270103317568583,5.1264788126250916e-05,4.575181682731778e-05,2.468166689251305e-05,0.00019959257467948795,9.43477800501326e-05,0.00015819854386824953,5.151143568479501e-05,0.0010915998609534983,0.00011024094182073575,0.00012516889964993633,0.000642687960007497,6.646455665048377e-05,4.216770741412178e-05,3.747840673729248e-05,4.998391599404528e-05,9.447312108435081e-05,0.0001741365259924465,7.255005541623947e-05,5.1467347645601787e-05,2.625311188592254e-05,0.0001298520909260715,6.844005611443854e-05,2.4734942765158574e-05,0.0012532151464909563,0.0014962913975624906,0.010541399505793728,0.0001666746490914036,7.630322096495772e-05,6.275324151362351e-05,8.41718713927927e-05,6.021202239449645e-05,6.951069298746452e-05,0.00023344197028172384,5.3676455403356165e-05,0.00015769347747524016,6.598317520378354e-05,0.00012028239619798298,3.635540260393286e-05,5.6914736121545546e-05,0.00011578500257825101,0.00041810959097719156,8.629616629385239e-05,9.03508419549616e-05,6.682275332203431e-05,7.995324545489893e-05,0.00011006046022442597,1.0,0.017158971938224955,0.0010054440617004547,0.00043993423494599664,0.00010908011500472157,0.00020770781842035588,5.279413182231332e-05,8.62198767630983e-05,5.1461360297307784e-05,5.4973452013753355e-05,0.0004006351115301483,8.374310131122631e-05,7.242647736113387e-05,4.9383777562043566e-05,0.0004702556652390845,0.0001091542075922738,3.910655863192821e-05,0.0001056592032118428,0.0006357897888970246,0.0024303821954366174,8.72441947502847e-05,0.00014766676431565,0.0001056152236636719,9.854362965402912e-05,5.1231244058288917e-05,6.155751449186843e-05,2.2256594193463013e-05,0.0006585470962812265,0.0001338283818235582,0.0001205005784245472,0.0003144121563342918,0.00010174252135042929,0.00038406390799283237,0.00012177720584550475,0.00022295632653636371,0.00013700432088804986,0.00015880260831912127,0.0007285536542668703,0.0001752208259535953,0.0018987364987213635,5.344528815755863e-05,0.00024848633897786836,6.02912886476753e-05,4.555648552232865e-05,0.00010136978688188856,0.04317417912990836,0.001080327338603977,0.0002078475480764086,0.00012173873221671633,4.2616751755483276e-05,9.848440711722296e-05,0.0020652128804694862,0.001558826328016461,0.0009257790362077133

CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

PMUXXFUNXMXIFC

C43H72NO8P

C43H73NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413608

91.054161,93.069839,95.04908,95.085495,97.064728,97.101181,98.98378,99.043922,101.022919,104.107094,105.069809,107.085434,109.064743,109.101135,111.044037,111.079857,111.116989,115.054535,117.069817,118.937958,119.085426,121.065086,121.101051,123.079674,123.116745,123.286087,125.000137,125.059433,125.095505,129.054398,129.069733,131.085297,133.064194,133.100967,135.079834,135.116623,137.059631,137.094833,137.132492,139.113052,141.069641,143.085358,145.06395,145.100952,147.080231,147.116501,149.132401,151.147949,153.12793,155.009583,155.085052,157.049332,157.101059,159.064911,159.080536,159.11673,161.096069,161.132233,163.075012,163.148071,164.834991,167.085419,169.100876,171.116257,173.080322,173.132172,175.075256,175.11319,175.146973,177.090546,177.164413,179.08638,181.100861,183.116455,184.073059,185.078796,185.132248,186.077377,187.110611,187.146942,189.165421,195.115295,196.829529,197.132477,199.112152,199.147202,201.163834,203.106155,203.177887,205.672546,207.116562,209.131226,209.577667,211.096085,211.147858,213.163986,219.210556,223.148468,225.370911,227.179214,237.220901,265.194031,266.283997,269.224335,278.161865,280.263824,284.294678,311.257568,322.411957,330.274628,333.204498,335.256622,354.278198,361.279419,364.260498,385.272552,399.252686,403.396149,420.289307,435.760101,438.2966,449.52182,534.00415,577.512939,621.310974,621.486755,664.434998,696.607178,730.840698

0.136833652053953,0.12093406255247609,0.009176990212752492,0.1509971431419328,0.020291635665357445,0.06028957095858449,0.006637171892608562,0.011096113853163829,0.016791469859078346,0.007559591073972548,0.10663092733319206,0.08433403316806816,0.017197477666353062,0.07463236585890622,0.10284621487028808,0.0066637788568674385,0.025761314937271292,0.00547491488562116,0.09043788796802006,0.004015788384875648,0.11439352451241329,0.008727611244411583,0.14135190029286018,0.006360802202435298,0.04905379077605169,0.004227342091476002,0.005172673969668066,0.005986469286762568,0.007420332315627672,0.04170746950103259,0.05971757472071555,0.12422692885667026,0.009955154288089603,0.07521488561700777,0.012017007117725785,0.10326271286430809,0.04215501385391098,0.010852506250299345,0.027053762538439427,0.006351332580812414,0.017683405711841533,0.06331443664329241,0.005211213157901893,0.077099512445939,0.014685066459724973,0.032264147781308344,0.036677312019461165,0.00950414059603934,0.009832264928512717,0.008359646152916959,0.025189180998620646,0.01090249625562617,0.05031566516465209,0.01004630208908985,0.006186067152102736,0.05873010662166033,0.008800595569942117,0.04221359720315887,0.023998103734762133,0.021682717273872127,0.004755490201009733,0.009702098206349112,0.034357532270443754,0.04041748060845763,0.005345629936090148,0.030746402123289256,0.006462038186868047,0.005844546323969777,0.014471283630744933,0.007647517753832656,0.005912608719920481,0.0062635663820430456,0.015309408135927622,0.02081317104419591,0.4611656826916635,0.027989126175528945,0.027356067865170437,0.00924995452363452,0.008093893797092402,0.011433798855715653,0.004883408113657579,0.012975561109403549,0.0042837940626094485,0.010976920398579889,0.008341243920885715,0.013091397416018054,0.03769301234501442,0.008062829679782254,0.007870140507203341,0.004125689402061377,0.005821273800151846,0.013545063085385512,0.004035134616901201,0.041894058463479045,0.01243911780143094,0.008533688769191788,0.04452355310766513,0.00991689941703536,0.0050786304493221045,0.018586953408642505,0.11999729738052745,0.013102818247528566,0.14567862879690543,0.005044530109833735,0.004241367702123504,0.02731333862846721,0.04070527560614461,0.11355064023269394,0.004315313494977952,0.005396691598478475,0.008278084567964708,0.016040666208540656,0.058642973431637775,0.005896841252608716,0.0361673373927214,0.030869845597507575,0.1805085504767834,0.004792433530342576,0.012264675947503842,0.004763204610739263,0.010381953676134098,0.004440027462693103,0.004552343884050695,0.00879107543862446,0.005007395767973614,1.0,0.0073084845281672604,0.00530870272764692,0.005143294576298266

CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

PMUXXFUNXMXIFC

C43H72NO8P

C43H73NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413609

157.088837,158.271652,159.03981,161.081223,163.18248,165.046417,166.184814,167.113647,169.077179,171.069351,173.134201,175.05162,178.090332,179.056946,181.093399,183.150452,184.052917,185.176804,186.018448,187.172256,189.106018,191.165161,193.126343,195.175491,197.15004,199.16951,201.286728,203.14888,205.172653,207.209839,209.070038,211.084534,212.297256,213.195084,214.182709,215.29422,217.181763,219.129181,221.174164,223.124207,225.172058,227.162201,227.857742,229.09668,231.261368,232.020935,233.131866,234.104752,235.17569,237.217133,238.091171,239.230789,241.25386,242.262878,243.189911,245.414169,246.236053,247.267258,248.1651,249.257324,250.14122,251.092896,252.161316,253.187012,255.234055,256.026276,259.169373,260.136597,261.185791,263.320648,265.267639,266.37442,269.172211,271.307617,275.138885,277.213409,278.166565,279.294556,280.252716,281.257294,282.202789,283.181702,284.267303,285.179321,287.315155,289.151978,289.753784,291.242889,293.329468,295.250671,297.229858,300.102234,301.106567,302.157959,303.495483,305.113647,307.210388,308.22522,309.34967,311.244751,313.279541,315.310425,317.342224,319.150055,321.13208,325.307617,329.335876,331.310181,333.211975,334.219238,335.337402,337.149048,339.427856,340.392883,341.549713,342.647095,346.356567,349.17218,350.222595,353.368134,354.312012,357.882874,360.187622,361.375244,364.260406,365.269012,367.315491,368.354065,370.280884,371.352539,376.345276,377.368622,378.237122,379.537231,381.325928,382.313599,383.33609,385.361847,386.201752,388.529175,391.442657,394.614258,396.516937,397.427643,399.252838,399.888123,400.885559,402.438843,405.28421,413.458099,416.238556,420.400635,421.847717,423.268219,424.395325,431.220917,432.265778,433.019775,434.315613,436.276337,438.319672,439.564911,443.221588,446.328308,447.369568,448.553955,449.532257,452.205078,455.453979,457.205719,458.219055,459.143707,460.321381,461.509033,462.417755,464.618134,465.396698,476.263794,478.010834,479.343536,480.600861,483.207306,484.302795,490.498962,492.447693,494.621979,496.370056,497.30899,499.337952,500.288086,502.131104,503.465942,504.316315,505.231079,506.336761,507.371399,508.375,510.621368,511.433167,512.371155,515.513306,519.275269,522.276978,523.455688,524.26062,526.477051,527.371887,529.612915,533.161133,534.725098,535.458008,537.334229,547.554443,549.394409,558.640259,560.455627,562.526062,575.678589,576.516296,577.610352,578.628052,579.703247,580.578247,582.615417,584.759766,588.641968,590.494751,593.702759,601.782227,602.730469,603.602966,607.838257,608.730469,613.66333,618.503662,621.492188,622.154541,623.016113,623.95166,624.889038,625.592896,633.554932,635.574707,638.667725,639.537598,644.410156,645.464966,647.307007,648.22522,656.40271,657.440063,662.582397,663.480347,664.529785,665.319824,670.75354,674.090332,675.616699,681.458618,685.275391,685.907471,692.378174,694.312744,698.591797,699.748901,700.642334,701.478638,702.463623,704.412476,705.540527,706.4198,714.979492,716.838623,717.564087,718.717285,719.516724,720.41272,725.419556,727.311401,733.744629,743.51416,744.505981,745.542725,746.395142,761.600464,762.574341,763.640747

0.00016056351121374352,2.443009072104621e-05,7.970075202728853e-05,0.00010098629832576243,0.00020015912386320918,0.00010011070967598569,6.425847813083905e-05,0.00026672407579901743,0.00014494124705790852,0.0007014663217328664,0.0007813883301512758,0.00014350899895742092,6.171391111596701e-05,7.300902395709685e-05,0.0006303816876447898,0.000314287392570837,0.0018940938024877454,0.001295429985166859,4.636433231421074e-05,0.00023506467138388945,7.663377696955781e-05,0.00011640574288851811,0.0003249812613540195,0.0003335462762519745,0.0004919833261420685,0.0009134236333973449,0.00015407656567414867,0.000442169645949034,0.00010137622660446994,0.00014701454610773564,0.0005349897760584585,0.0008899473303123848,0.00011149951019153455,0.0005306361065689889,8.690376235863609e-05,0.00021714676291233263,5.667671715366652e-05,0.00034245633112163363,0.00011626221141577794,0.000921015520169183,0.0003654707809343212,0.0015484031873660897,9.371868883181144e-05,0.00032839229121103987,7.702416450157127e-05,6.323681730051648e-05,0.0002510813600564437,5.252306729357212e-05,0.00010209793576749932,0.0013290499715744425,6.843192773427011e-05,0.00032955262431783294,0.000698007307312683,2.3317882916332565e-05,0.0002875300949802502,0.00012713358160172,9.653463751395815e-05,0.00025800898877236775,1.5180321736570083e-05,0.00012201611460592178,8.368581148022156e-05,0.00035439652448949734,3.869069845390893e-05,0.00011993115644797198,0.00028421974529959797,3.5263728062784375e-05,0.0002560734657143333,5.4999857409255804e-05,8.909432655502613e-05,0.0002332698279837113,0.0009582117268850219,0.0022599122011381333,0.00044178145838850237,6.201869235028434e-05,0.00016368970031869958,0.0002674847992711206,0.00011859393674526441,0.0003341508832292915,0.0014078082691520665,0.00015088339225232265,0.00017415257209628764,0.00013344072947202534,0.004872663161773829,8.462343636286196e-05,0.00020728273522380267,0.0008075268061339946,0.00016267386163512694,0.00016583791691589182,0.0003108328743886653,0.00014042312044103134,0.00014876961224576717,4.0751397667067275e-05,6.508208967661531e-05,4.3380578399909634e-05,9.15570872229434e-05,4.823384141316687e-05,0.0012546486323325439,0.00014178256207789897,0.000159448125672445,0.003875365252672651,0.00013831325149488803,0.0002581722014714624,0.0002592696613192051,0.00014928622777112148,0.00012981852457468143,0.000819154077632327,0.000262831718848089,4.112954091335853e-05,0.0015390133905671592,2.091069930574974e-05,0.0005135554094669143,0.0003188357262035492,0.0001991450481197466,0.00016699588709035253,0.00025366268955772796,0.00014288024414498332,5.777961396796708e-05,0.00015246900132776057,0.00010580390254200408,3.603913282605596e-05,0.0013340874544218871,2.6392872684983712e-05,4.549249917130704e-05,0.00026631491813995,0.021897956515378503,0.00034285054082632265,0.0006111189595690426,4.879552302099788e-05,3.0030521826568913e-05,0.00013627201869605395,0.0004960488882551522,0.0004548187634604736,0.00029318111802254415,4.475325690222535e-05,0.0005703880134887141,0.0002135349875094212,0.00012403879949704355,0.0013347243646841614,0.0001714989916797375,5.825058564055651e-05,0.0005353856524082096,7.506296029495913e-05,9.941344464053245e-05,2.9243480177108817e-05,0.13367044605718073,0.0038630946339584487,0.00029906096032088474,0.00010907762306784912,0.00011988037932841611,2.7922297303553475e-05,0.0008191491665848776,0.0026015599723707285,6.728060932543467e-05,0.00020719704744568126,7.310215608316189e-05,0.00011991055671500554,3.4380146924021356e-05,0.00017168898921680645,0.0012878555055767797,3.7052327099463526e-05,0.016671570272237212,5.101927937971175e-05,4.2905251228224825e-05,6.193694526182068e-05,0.00013862828444816455,9.662967331904958e-05,0.00020115934793437862,0.000977580646176809,4.810834674365332e-05,8.71535665278413e-05,7.969143362956407e-05,6.67292683242995e-05,9.52491726959095e-05,6.213041682793e-05,0.00015712999275935312,9.494748031044041e-05,0.00018093198051136376,0.00033342754445775705,0.00020116619969741135,0.000480940624843752,8.03254105965293e-05,4.3146803652545245e-05,0.00013836900632769575,0.00017610453197828917,0.00012200552215063879,8.069177621771569e-05,0.0005035572501837939,0.00011100262033640305,3.610746527359831e-05,7.953710229682208e-05,0.00010555674278296392,9.276324936528601e-05,6.16757486477027e-05,0.00020194470071684256,0.0002117058334428998,0.0002445601779236195,0.0016811277261220689,0.00022280317847731603,9.508688591073819e-05,0.00010448663813617231,8.496359491636219e-05,3.0068017636808413e-05,0.001505377685844813,0.0001733731303483103,0.00023283058923310253,0.0008073329123511362,3.5460806989539025e-05,7.710811156151679e-05,0.00019467877268257634,7.146418472353137e-05,5.477487514050744e-05,5.150229534061595e-05,0.00021353560972357764,9.970391494925066e-05,5.8437553587268314e-05,7.519586968317078e-05,4.662081787828676e-05,0.0007055316023681174,0.002321814613514269,0.00288333506787875,0.00011924394313407047,3.0899355008361e-05,6.708985624260427e-05,7.663316216271271e-05,0.00018904023836728042,8.37158703498288e-05,0.0007297980729879428,9.960661250687491e-05,4.0812011696144685e-05,0.0003295330171645923,0.0012242814333888264,6.583643545361449e-05,0.00012746552544689235,0.00012622176379195084,0.00010477818991235299,1.0,0.03126041653534121,0.004077594260815137,0.0006242573374048855,0.0003090470530937562,0.00012230481456721858,0.0001389714948139561,9.815916460342181e-05,0.0003104517534031966,0.0005241509758206837,0.0001415592094176557,6.971609627282609e-05,2.5243724618384578e-05,6.892668428372225e-05,0.00011646355695389134,5.921241761680867e-05,5.7540120776212166e-05,0.0002481883086700728,0.004013767236350639,0.0003208420853803747,3.936888225523002e-05,7.042295377652512e-05,9.432094769141881e-05,6.041315019990482e-05,0.0003036224863751766,7.197501513869266e-05,9.744077391589368e-05,4.769019660856248e-05,6.066153957263516e-05,0.00035425380041369833,0.00043027537791176783,0.0003372941535943052,0.00029555021323797654,0.0006058988198301133,0.00021199425933367532,5.370082980405809e-05,4.9843190921599165e-05,7.208253226347066e-05,0.0004896381935789721,0.00028430092943239625,0.002620274463108812,0.00018141678163431212,4.02605669926501e-05,0.00029583040219849,6.348564370461864e-05,0.0014188844218686054,0.06449950388050525,0.0023977836361380503,1.9565094526552435e-05,0.0021080505623075254,0.0022554869844279794,0.0010596794337851176

CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

PMUXXFUNXMXIFC

C43H72NO8P

C43H73NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413610

91.054398,93.070068,95.049644,95.085678,96.589569,97.064949,97.101303,98.224854,98.983849,99.044289,99.080528,99.531181,100.575378,101.023422,104.107254,105.070023,107.049683,107.085724,109.064949,109.101311,109.116669,111.044235,111.080376,111.117027,111.718933,112.080879,113.096001,115.054222,117.070068,119.049736,119.085617,121.065308,121.101318,123.080765,123.116898,125.059349,125.096146,125.132339,127.111969,128.061325,129.054794,129.069931,130.077637,131.085587,133.065048,133.101288,133.774582,135.080475,135.116913,137.059845,137.096237,137.132523,139.075562,139.111221,141.070068,141.127823,142.24205,143.085587,145.064651,145.101257,147.080597,147.116882,147.753647,149.037979,149.058502,149.095352,149.132584,151.147873,153.070648,153.127533,155.010254,155.085449,157.049088,157.101288,159.06517,159.080139,159.116959,161.095581,161.132538,163.07547,163.148178,164.391266,164.577103,165.091171,167.08522,167.142899,168.094635,169.101379,171.0811,171.11676,173.08136,173.096085,173.132599,175.075745,175.111221,175.14856,176.506378,177.089935,177.126648,177.163757,181.10144,183.117126,184.073364,184.125473,185.080795,185.132523,187.07605,187.111084,187.148361,189.091049,191.107666,195.117126,197.095947,197.132416,199.113129,199.148117,201.163803,203.015121,203.106247,203.179901,205.101486,207.117294,209.132812,211.096634,211.148361,213.089798,213.127228,213.164093,215.106506,219.115173,219.210922,221.130966,223.148422,225.163025,227.106964,227.179489,227.615417,229.123962,237.115692,237.167175,237.221283,239.17775,251.127365,255.978256,265.195648,266.284363,267.607819,279.268341,280.263336,283.203674,284.295044,291.705597,293.226685,311.258087,325.216064,330.275085,333.2052,335.257721,354.279022,361.272705,362.309448,364.260895,367.268036,384.056824,385.274139,399.253418,420.288147,438.297607,603.466064,621.112244,621.155518,621.19458,621.28186,621.327698,621.488281,621.697571,621.791992,664.460205,723.404358,744.505615,763.547424,767.902893

0.14411711859508883,0.16071202180627286,0.010421164652681638,0.16172690814407523,0.0022879104033282087,0.0157517925758102,0.05794898915421377,0.002874229297578,0.002983598180554529,0.01592691126304693,0.0042164628986308674,0.0026796502432233312,0.0024203813423842803,0.022099444564466737,0.005367421703669147,0.11627318591581128,0.011157121952658262,0.10405560714625665,0.01970014849976751,0.08849612840994273,0.0024576237628872533,0.12842331952238983,0.01155759299334406,0.0370088228141384,0.002871415941418325,0.0023429539235670384,0.00445288928744594,0.010742116611641539,0.12003112543043,0.005466542882713738,0.13963990491614164,0.011921790475708854,0.18262216258850772,0.0108170467903529,0.05593670890070832,0.00992295324335147,0.008496990850055747,0.005921506733915019,0.003957162943233825,0.004106943612859512,0.05868876072777396,0.07421541266149875,0.003729092632159837,0.16141598600679938,0.005687537924766029,0.09283414375190265,0.003046784499432621,0.012631854245068219,0.12747402978413785,0.061809480859515084,0.007667370601536036,0.03901363136100482,0.004465188626929294,0.005527177991265939,0.03253129972371977,0.0050444073351275055,0.002541068794523415,0.0733689193808769,0.00408226371171374,0.1070466650919553,0.01635190062777978,0.04729596440027476,0.0028458114750325933,0.0028970040966559817,0.0034870509721783584,0.008513368610324316,0.057002484519478466,0.00977113948418322,0.0026977094193449853,0.015197798641158175,0.011256397370452748,0.030661261420733738,0.009951424235569743,0.06057402140136185,0.009427978913113482,0.005871906700767777,0.07114892065937338,0.007507298731583544,0.047797483103352925,0.03723953062784925,0.030314043343172947,0.002579995899780316,0.002604342673245467,0.0035179760083128234,0.015507809722427152,0.004097043813374244,0.003056343566039393,0.038061739711107774,0.004984076601270976,0.05608719421860207,0.006895237443346202,0.006721261937432217,0.04454906746305501,0.011237088907155534,0.007956544774871625,0.012608249045108183,0.002506111435776823,0.007347207014733089,0.0038183616109181426,0.009067294365044507,0.021811731656519416,0.028601412455748664,0.10637798704155897,0.0030522633773792346,0.03484660284897449,0.03563677506953897,0.003034472184414295,0.005490790421689067,0.015464069494242914,0.009037149862376203,0.0028998721902266807,0.01833846954185567,0.004060620085751332,0.021316491644697757,0.004771526964678675,0.02321020332757565,0.047287645714756556,0.0030283138420785496,0.0054994908347708,0.006083484206277267,0.003679524153912552,0.004582453740024493,0.013974115831915025,0.04671860446247833,0.012664588417681494,0.0050406221147340675,0.0059282903702831,0.011180106194882997,0.009859651111986433,0.003719638170379983,0.056660494581827314,0.004367031440071543,0.015168208917661203,0.008286832881414607,0.00313231125385039,0.021062309954114736,0.002648643551280099,0.002748731524426536,0.004461012005694321,0.004694159820390209,0.13859871480066646,0.006383677677567839,0.004238398157246893,0.002791962771407348,0.012356832077445791,0.24206225062109613,0.0030006386270783197,0.004848008970674062,0.043039474511322326,0.00378597254083653,0.06053829141455216,0.0025814487594235684,0.007227892767796299,0.11351060445879421,0.0047056076779166955,0.004029809594570833,0.016535054973762897,0.016279612021153276,0.060604319609081955,0.0034789219162650814,0.00270262457867715,0.05540628857776025,0.003222831054166284,0.0030209314298023037,0.040850054922874454,0.23635260285172427,0.016846023943046733,0.012700393722635064,0.0033820150172668207,0.0028589842448070338,0.0034805328172571657,0.00406624092739162,0.006916335963415276,0.0030755415538306283,1.0,0.0056438328539439,0.0043320180763809476,0.003936082769036818,0.0027800108026725663,0.004858564084709596,0.007880372213703827,0.002733335835367827

CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

PMUXXFUNXMXIFC

C43H72NO8P

C43H73NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413611

155.113464,157.066956,159.089554,161.200409,163.09993,165.043472,166.050232,167.084412,168.108276,169.058533,171.149689,173.131134,175.10083,177.268372,179.074554,181.18541,182.029816,183.358109,184.048996,185.121262,187.189728,191.112732,193.195038,194.990204,197.084778,198.108032,199.131973,201.227722,203.110016,205.079895,207.295395,209.122482,211.139069,213.112579,215.229736,217.437317,219.216919,221.11203,223.153564,225.227295,227.248413,229.113266,231.223907,233.179047,235.191956,237.208374,239.28299,241.240356,243.248566,245.293274,246.259338,247.250336,249.22348,251.265656,253.12822,254.177948,255.211243,259.292297,260.210663,261.103485,263.217896,264.071014,265.268768,266.369934,267.432526,268.094055,269.196838,270.339081,275.288086,277.278259,279.28833,280.250977,281.178497,282.081696,283.079407,284.402924,288.623047,289.294006,290.970123,293.424225,295.360138,296.190674,297.159851,298.21994,300.490753,301.293396,303.056488,305.354492,307.220215,308.284546,309.271851,310.345306,311.358368,312.601013,313.301025,314.459259,315.377563,317.354919,319.37262,324.38916,325.241638,329.347046,331.15036,332.529266,333.282135,335.379211,338.217377,339.341034,340.44281,341.266602,343.455627,346.562012,350.428894,351.375427,352.385864,353.261353,354.331879,355.252014,357.341736,358.357971,360.527924,361.320007,364.292816,366.430817,367.372131,373.380737,375.313354,376.382263,377.469879,378.474182,379.460876,381.430176,383.407074,384.537445,385.290131,386.172791,389.39209,391.212708,392.302795,393.583435,397.54071,399.282013,400.139496,405.470795,407.613647,409.40448,411.295074,415.230865,416.393677,417.22757,420.317444,422.207916,423.41394,425.572784,433.528412,434.392761,435.311798,436.399109,437.484222,438.346497,439.035858,440.331757,443.366882,445.478821,449.006104,452.359039,453.539124,455.292419,460.381073,461.694061,462.477264,463.208618,467.47937,468.480194,469.142822,473.599518,474.473083,479.316559,483.509766,484.445709,487.473602,489.442749,490.411438,491.032379,494.427032,495.043945,496.408569,497.352844,498.311279,499.330933,501.413055,504.258179,505.158203,506.363739,507.3703,508.428497,511.453369,516.533936,518.356201,520.352051,521.389893,522.344727,523.627441,524.23407,526.43335,537.662109,539.797241,543.36676,550.661926,552.684692,558.47406,560.630981,561.630493,562.55127,565.52832,567.569336,573.564392,575.662842,576.660645,577.572632,578.354126,579.380432,583.478394,585.730713,588.723328,590.729614,591.785522,596.606812,600.769531,601.862427,602.939209,603.705994,608.843872,621.505615,622.16748,623.147949,623.87561,624.584473,625.542297,629.910156,632.491943,638.34375,639.495117,641.64209,646.559448,648.794312,660.557007,663.665527,664.5448,671.482788,677.279419,679.56604,680.682617,681.555664,686.518677,687.619873,692.135742,698.548462,699.506226,700.567871,701.591675,702.606812,703.809692,704.533691,705.561768,706.454956,718.168701,719.557861,720.399902,721.891113,726.850342,727.503784,744.53833,745.39917,746.701782,747.391113,752.551636,753.588501,761.560181,762.542847,763.507568

4.2431683924780315e-05,5.58543821741607e-05,0.00016707844609290174,4.607618213416667e-05,0.00015285228202404402,0.0002480051652257175,7.445171679158877e-05,6.272323730336397e-05,4.785363298153629e-05,0.00010937351857512465,0.0002613556096570435,0.00019669396130345915,0.000292746825126264,1.7306384240003733e-05,2.1073611575149677e-05,0.00014298709651696517,3.154311118309075e-05,0.00015255878148641175,0.0009162864994190975,0.0006461268577210883,0.0002791668953290745,1.9295186530110033e-05,6.770223302054128e-05,0.00022351152146371964,0.0001470928699053588,8.630114514587157e-05,0.0004419530709943461,9.848147432701702e-05,0.00014975137622419898,9.605411494976174e-05,0.0001710964131166815,0.0003738959580377953,0.00044460633543739835,0.0004175794365168971,3.698083531886893e-05,4.149247330305861e-05,0.0002846675021936447,0.00010682094265369344,0.0001798807090007891,0.00018261561813182143,0.0008278524251247804,8.006075630748176e-05,2.240327271075138e-05,9.445139659210077e-05,0.00029427845177984246,0.0009012462868758698,0.0002582103061583077,0.00014287859957848643,0.00011204970386183455,3.4519453200650415e-05,6.33535481410349e-05,0.00011875621908691839,0.00016202931803381443,0.00026711558057946835,0.00022253938592785064,3.502508157205586e-05,0.0001552537386226415,1.5568563951657296e-05,3.28572148269671e-05,0.00011886852874825799,0.00020422295156550044,5.13363896518696e-05,0.0005514033088722765,0.0006855423267561597,9.063743743978876e-05,6.224983163255688e-05,0.0001249136527683811,1.826480683100483e-05,0.00010377876069817087,0.00012378273784779582,0.00022799843361872093,0.0013042488580530325,8.120483031436111e-05,7.441375275345288e-05,0.0001769716805806119,0.0020984618370734755,3.542707904816684e-05,0.000491823891517897,2.6042543879847306e-05,0.0005200731958721464,0.00015021162775387785,5.066934117719055e-05,3.695837932080002e-05,4.5223571256594455e-05,4.351879951154125e-05,5.859302985056636e-05,1.7348477491614083e-05,8.97818841885431e-05,0.0009131313303145156,4.984599084587989e-05,6.278722774930358e-05,4.245032225482254e-05,0.003699498665268833,3.610581789488617e-05,9.498995482281936e-05,7.09276383155158e-05,2.6477807486548378e-05,8.555400476528544e-05,8.636725706795554e-05,1.8514092640882364e-05,0.0001934641647012208,0.00014775096762987164,4.572042690380385e-05,1.4933298057817025e-05,0.001484429278719746,0.00026860075234516763,5.967348924410977e-05,5.8825779025882695e-05,2.579421743214228e-05,0.0001300537619885501,4.7632920339868884e-05,3.179345031329171e-05,7.441383682127213e-05,7.15528160710472e-05,0.00011563934534658349,6.512887751226015e-05,0.0009981602474808244,4.7062604254140726e-05,8.566710565315905e-05,0.00010942109601564899,9.39782579602489e-05,4.322702483678635e-05,0.011394569992795513,4.47038738883808e-05,0.0007101422965288335,0.0001191031274155976,7.689026213396887e-05,8.27791782556113e-05,0.0002640074400020028,0.00016704230187579414,8.639371370518714e-05,0.0004628591403509151,2.448852551535582e-05,3.097887765134294e-05,0.001302115226691038,6.863006976083632e-05,4.316349923643548e-05,0.00021073110135333737,6.443032338602922e-05,2.6405538832996497e-05,0.0001698869244561013,0.07359441677424979,0.0007162808940736205,0.00012080883874216,6.527316756107203e-05,4.3167297123798826e-05,3.2632822981916456e-05,0.00013287122571807673,0.0006868115925813858,0.00012939487303750323,0.0013505041442035083,3.245404040138675e-05,3.715848545642181e-05,2.1270587420796214e-05,0.00015143030947775032,0.002032889645224531,3.9419776274516046e-05,0.00010016884897865327,0.00018152526346143684,0.008005343355536097,7.663317285239946e-05,2.8474996777915384e-05,2.6415270919365054e-05,1.9445015164660114e-05,0.00018809507946726965,0.0007813835127552826,8.095530219135752e-05,1.9457867650672247e-05,1.2407505154562704e-05,7.150407157138517e-05,3.397745807967466e-05,0.00012096644612257274,5.0667699382132436e-05,4.302032679510293e-05,1.5665024356487117e-05,4.8359014094649854e-05,0.00010380656736567616,0.0003753602018616695,0.00020539787846204105,4.093939606544061e-05,2.3650463315678062e-05,0.0001233907098260136,0.00013755832807651902,3.644591178504106e-05,2.463833436924255e-05,2.1525896442664045e-05,0.00022278973494838328,0.00022121769639957929,1.9927470488950182e-05,6.185675029045123e-05,1.694832456236055e-05,0.00022370942700054364,0.00011032921143458332,8.788072012741219e-05,0.0003289217022620734,0.0013994235296553867,9.859251802590216e-05,6.430558157777371e-05,2.1668564477081166e-05,4.986611767083926e-05,6.79288897515456e-05,0.0007943353718749256,6.666876753795338e-05,2.3480502911002778e-05,0.0007887003751835507,1.4104923438015283e-05,6.301581309498459e-05,0.00010454266024578092,6.831590337516841e-05,2.4801228131935785e-05,0.00011343232772355781,4.2000104466628325e-05,2.7972637161128647e-05,9.144124447570888e-05,0.00026182231462814053,3.7218559331017966e-05,4.334724181830039e-05,0.0006619676728327733,0.0014062425968549362,0.00465929335681875,0.00017938039173749328,0.00012364833813065932,6.346363247774753e-05,4.054896533222397e-05,4.7388164301898666e-05,5.847997841435111e-05,6.680540247004852e-05,2.347793636993302e-05,0.00018754388139266995,5.506654307873044e-05,7.487926099441721e-05,0.00034928927272991387,0.00013056158106842164,1.0,0.03777314217877207,0.002691416466722279,0.0006004127111778983,0.00023458662586080655,0.0001582038613709298,6.809090821988556e-05,2.8523968755205945e-05,0.00012079286091133843,0.00035849630117048984,8.734641968447988e-05,7.207374478555442e-05,2.468505629607697e-05,4.636104841224633e-05,0.0004974695252609888,0.001825440027346767,5.656614978350991e-05,0.00014794072353339517,2.237135166526914e-05,0.00020447299893091694,9.104227344109056e-05,9.866285311961152e-05,2.6515519321226538e-05,5.937438088841759e-05,7.390035552651644e-05,0.0003413782239004192,0.00022523296336281168,0.00039335158552834305,4.367767779957429e-05,0.00011833330355931402,0.00017104619495759984,0.00013355372783599852,9.795224267906833e-05,0.00017767927941515996,0.0021954533675497597,4.367034906380283e-05,0.0001361670353390823,0.00024762657816468207,0.00017743100736427917,0.03241309914099379,0.0018898921341883113,0.0001610988554104596,9.290240251610038e-05,7.314690511432142e-05,0.00010285913293316639,0.0012627767242170643,0.0013523468118979453,0.000333345875098092

CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

PMUXXFUNXMXIFC

C43H72NO8P

C43H73NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413612

91.0541,93.069725,95.048981,95.085365,95.455597,97.064636,97.100975,97.835014,98.588211,99.043648,101.023102,103.053284,105.06971,107.049393,107.085312,109.064537,109.10096,111.0439,111.080124,111.116837,113.096642,113.545212,115.054054,117.069557,117.331131,119.085258,119.692207,121.065376,121.100929,121.303314,123.080299,123.116531,124.015266,125.059135,125.132233,127.110893,128.061188,129.054199,129.069519,131.085129,133.064407,133.100861,135.079666,135.116501,135.67659,137.059311,137.095291,137.132187,139.111267,141.06958,141.125992,143.085114,144.308243,145.100708,146.178162,147.079437,147.116455,147.690369,149.095795,149.132126,153.126968,155.009613,155.085251,157.048401,157.100723,159.065079,159.116455,161.096008,161.132126,163.075302,163.111588,163.147644,164.210663,167.085083,167.143051,169.100555,171.116394,173.080185,173.132202,175.073868,175.110611,175.147934,177.089539,177.163635,181.101028,183.116272,184.073029,185.080933,185.132141,187.109818,187.147781,189.089523,189.125305,195.116837,197.132629,198.053009,199.110901,199.147507,201.163162,202.600586,209.020157,209.131775,211.09584,211.146851,213.162872,219.210098,223.147034,225.162994,227.17923,229.11882,237.220581,239.177628,249.337265,265.195282,266.283722,279.269501,280.262451,284.294312,311.257263,321.469818,333.206635,335.2565,354.278076,364.260834,385.273224,399.252197,420.287415,438.298584,464.794067,511.007019,621.082031,621.122803,621.18396,621.264404,621.316345,621.486023,621.647827,621.689758,621.739014,664.441956,762.599243

0.1289558263078389,0.12986309586943964,0.006806038261659813,0.14961632920762072,0.0032992795697765337,0.015376029776519863,0.05661201549872256,0.0029155876741841246,0.0030219235092920666,0.008459225926881229,0.016800637039766312,0.003700903499101902,0.10606380346648274,0.007822202791131912,0.0997008670179386,0.015066173266703843,0.08561626652422036,0.07086545397931995,0.013607478827218997,0.030638008132116916,0.0033002100125698367,0.0025150850797873883,0.009626596974204435,0.11247233936767356,0.0026756009838088107,0.12778446629039025,0.0029123014773328104,0.008872431570681032,0.15622497638129515,0.0027107936650072714,0.010454297198799308,0.05046582091008547,0.0044280188297415165,0.006572300019236681,0.004907807573013936,0.0036177467182135293,0.006242912990025469,0.035915227922841575,0.053909980286942195,0.132414389614184,0.007707609967088713,0.07618247335874782,0.008407199802670727,0.11917591695233545,0.0026196726358811077,0.03270953567309869,0.004093789763406222,0.03712319189957721,0.0054176327263869796,0.025327849201782347,0.003824665013646505,0.06287640109055137,0.0029890222160437905,0.08578529331076773,0.002847877712940403,0.01085125053683833,0.0390825587456233,0.002440231617785382,0.008671253481134698,0.05249210992625276,0.011659732565498319,0.01302352156713575,0.027358944160016073,0.007688808945411688,0.051364261556903865,0.004017873123414704,0.062490099388100795,0.009502043142439966,0.03601981461465539,0.014616124189854026,0.00397218098812159,0.025776791886648,0.0028404879833894246,0.010987238245727105,0.004812346539660522,0.028110535828994747,0.04204657434212521,0.0071164778192405395,0.04069575940986995,0.005859932533250303,0.004543433470241984,0.008251941154029383,0.006815174678130474,0.005205617317540427,0.01847149645400763,0.023041523270698333,0.04561774256052688,0.018289496985474763,0.027665130277824104,0.0037666977612184314,0.011099557194860056,0.004672140439823137,0.0035251810907345176,0.012254930058521407,0.01233195411398644,0.003860838970942506,0.004977598811216996,0.017577127407021276,0.03731491290206834,0.0026420980835223365,0.004987594845018145,0.009332836585674836,0.034781382520012546,0.013773010124715686,0.011706956227506156,0.04439582444375454,0.010338271762600727,0.005070764135220759,0.015534085644290915,0.0030780225979870663,0.13083367827735135,0.004888007739455224,0.003255015884448792,0.005885644700859624,0.12093658293970662,0.004193270335100218,0.033030059102610754,0.02824366663795278,0.11552838125825701,0.0030794725867171416,0.007103816096062884,0.0057651874420672575,0.05857228745051457,0.02347420737240187,0.044802071747391044,0.13789877547574048,0.006013871017099192,0.010150033034775591,0.003218273458425229,0.003174503640823754,0.003175226883884797,0.0031201887215027467,0.0056872065605279775,0.004158958286880171,0.005263253846444157,1.0,0.0039070378016950345,0.005438057957425157,0.005298579285583034,0.0050463933072612726,0.004335712804649333

CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

PMUXXFUNXMXIFC

C43H72NO8P

C43H73NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413613

155.027191,157.101395,161.116425,164.101944,169.116486,177.387375,179.361557,181.04454,182.193741,183.182541,184.030212,185.021729,186.039429,187.027679,193.131119,195.177261,197.181976,198.09137,199.088135,201.278519,205.948013,207.441986,209.100708,211.203873,213.209381,215.119904,217.172729,223.113037,224.132019,225.106735,227.144806,229.500763,231.359222,236.157745,237.386642,239.387848,241.24942,243.179993,249.124481,251.330536,253.135803,256.172028,261.35083,263.169434,265.22818,266.341492,267.452332,269.216309,273.118835,277.292755,279.431824,280.317932,281.008545,282.192139,283.169373,284.30069,285.346924,289.300873,293.252808,303.109009,307.33374,309.457001,310.128601,311.303009,312.043182,313.334564,315.065186,321.393341,325.314941,329.228333,333.301453,335.345764,336.489532,337.213837,339.197632,340.536804,342.478119,346.29715,351.194519,354.350098,355.170563,358.024689,361.554504,364.270142,365.267456,367.362854,368.402893,372.383972,373.360474,376.519592,377.463104,378.60498,379.443176,381.443695,385.341919,390.36853,391.315552,399.288605,400.152161,401.209015,416.41687,419.421356,420.472931,422.345367,431.309784,434.364441,437.2453,438.38446,443.472504,445.390106,446.449127,451.464508,452.394257,457.334534,460.39032,462.386871,463.54776,473.419922,476.209045,477.384033,479.16626,480.525024,482.426636,484.466705,490.41272,494.423553,496.123962,497.675446,498.552338,500.556671,502.395264,506.42392,507.21405,508.349182,514.518311,522.394531,524.351196,525.644592,526.381042,530.437744,535.574219,536.535706,537.659302,544.610962,546.620728,548.491333,549.793213,550.427734,553.577515,563.004089,576.662354,577.578369,590.296143,602.611328,603.766052,615.591309,621.515015,622.279663,623.601318,624.548096,638.463867,644.692627,657.220215,661.484863,663.525391,664.547974,666.493408,674.645264,678.400391,680.48999,681.627686,686.570068,688.310913,699.432861,700.541382,701.457764,702.306641,704.576904,713.484619,716.741089,717.931763,719.570801,723.107178,726.938477,743.781982,744.5271,745.517944,746.1521,761.715454,762.604492,763.549194

0.00025993258274315575,7.491448045973386e-05,0.00031290672302928017,9.876478304074197e-05,9.365734096752315e-05,0.0004012221534514214,0.0005458675171532674,0.0002892909292996209,7.099134644605331e-05,0.0002871512362445254,0.0150601432375905,0.002164307358791148,0.0004170704724049275,0.0005238544540660474,6.375065852773702e-05,0.0003450214604857069,0.0003821225832163494,6.211784539188315e-05,0.0005050694107688344,0.0001923977888189614,0.00014701019763718672,9.816713071184088e-05,0.0001916502220329448,0.00048316535802352296,0.0002467132314389817,0.00026261735442725174,9.893206054774787e-05,0.0003199030226554573,8.022196101936413e-05,0.0001003987537132552,0.0008176035012119014,0.00025585647891396816,7.706242432845943e-05,0.00012487450296271761,0.0006747196794902129,0.0002066954124407851,0.0004108507587396226,9.36393183909315e-05,0.00018542525907348697,0.00028170662796994693,0.00020393233205571066,0.00021883087872048455,0.00011808121642297196,0.00035280391593978875,0.0006096637772414917,0.0008955468916965042,0.00010155362534635141,0.0004314539690952013,0.00012085627596649789,0.00017111829440001684,0.0001667743150522879,0.0014106004464844346,0.000330436377440233,9.64662921076568e-05,0.000220165814602754,0.0033950489515607502,0.0002082839969084686,0.0005863764951077042,0.0009363003790806375,8.262084806805575e-05,0.000447362681850923,0.00021713881585934581,0.00023944578558021418,0.004241938130254421,0.00015574352907774572,0.0003723788299499992,0.00010425706567401168,8.155705841837674e-05,0.000561732028160276,0.0003324477858220687,0.001449061082561765,0.000679982716026015,0.0001318734810748855,8.721797799124066e-05,0.000309961155643885,0.00017150672870760316,0.00036386574004847606,0.0001921787451957707,0.00013133176737803435,0.00030018718528683415,4.625799145096926e-05,5.51262432109865e-05,6.168527663422662e-05,0.011248262494992035,9.600257753802636e-05,0.0009359643838756658,5.495837347592233e-05,0.00011325514997607743,0.000281746724501438,0.00025590160938395454,0.00013091288716436116,0.0003991131216580703,0.00012984619021330515,0.00041466216354621785,0.0013544001842300353,4.9646908836627286e-05,0.0006895771605230366,0.08038252443687335,0.001045721256171233,0.00041271904982728436,0.0004319794772788215,7.712380069086264e-05,0.0014248883656419397,0.00037352130517305743,3.8075082151663805e-05,0.0030915683860418407,0.00012026002344937092,0.009160966978869279,0.00019711573326603468,0.00021424520302633585,4.8097949809933914e-05,0.0003404469698260225,0.0010636897784928258,7.554191916802053e-05,9.800278742566917e-05,0.00010403994679201039,0.00010568204714059633,9.66896159245414e-05,0.00010048431720794755,0.00018760973264562533,0.0005117029976287744,9.087003307097378e-05,0.00015240688927795916,0.00022114421573421242,9.294993801164056e-05,0.00045074764207637345,0.00146423335972702,0.00021664729349043363,0.00017856449891428362,8.911003895960504e-05,0.00022323351556544007,0.00032881196317502377,6.160231086715354e-05,0.001320559761510434,9.765396509934436e-05,0.0005205762025689153,0.000306079773708313,8.361230513625346e-05,0.0014620252239520076,0.00022137005652034467,0.00014960885397771783,0.00019327436710358208,0.0002980649764191864,0.00024126000893810102,0.0001536329897947917,7.415147536501627e-05,8.042471837095222e-05,4.274255261649763e-05,0.0003069181263637176,0.00028313716830444225,0.00024202629820659633,0.00233804662576171,0.00016229312723123917,0.0001778140786658044,0.00033975147872994843,8.713565829114024e-05,1.0,0.025651086440269828,0.001962054060579294,0.00019576219603884394,0.00032378553520823146,0.00016039708218321006,5.868762009916034e-05,0.00012785832289678595,0.0007303503125706504,0.0020851739398623534,7.948866154566056e-05,0.00010102700000525771,0.00015678504287659637,0.00029065022729065124,0.00021860563016241053,9.45206210402898e-05,0.0001349026602943264,0.00018966889614452384,0.00025364904304484297,0.00013292659715978696,0.00029384649558089767,9.534926923137589e-05,0.00029399785022897316,0.00028318661934730835,0.0004105611322996682,0.0020976332741315584,0.00025020681167421145,0.0001856621772162547,0.001407148120317355,0.03799775035778692,0.0010467268997933722,0.00016046533646692639,0.0032815820935135675,0.0034072180806216713,0.0009238790550849908

CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

PMUXXFUNXMXIFC

C43H72NO8P

C43H73NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413614

91.054161,93.069817,95.049057,95.085449,96.102089,97.064758,97.101051,99.043839,99.080971,101.023254,101.074165,104.106628,105.069817,105.187485,107.04911,107.085403,109.064529,109.101021,111.043961,111.080139,111.11657,113.095886,115.054512,117.069756,118.858185,119.085358,119.671143,121.065331,121.101013,123.08049,123.116646,124.014709,124.999413,125.059563,125.095467,129.054321,129.069687,131.085297,133.064621,133.101059,135.080078,135.116623,137.059372,137.095154,137.132126,139.111343,140.408844,141.06955,141.673172,143.085236,145.100922,147.080063,147.116608,148.902054,149.095428,149.132278,151.148285,153.127274,154.43396,155.010086,155.085419,157.048645,157.100906,157.706924,159.116638,161.095459,161.132126,163.075455,163.114212,163.147736,166.847214,167.08522,167.143402,169.100937,171.116592,173.080795,173.096741,173.131821,175.074493,175.110901,175.147964,177.163773,180.708389,181.100479,183.116592,184.073013,185.076813,185.132187,186.077301,187.110214,187.148361,189.069031,195.116119,197.131714,199.107941,199.147751,201.125793,201.163239,203.373398,209.131638,211.095978,211.147568,213.163101,215.178619,217.125809,219.210327,223.148758,225.163559,227.179108,237.157776,237.220871,252.402084,266.283875,280.262939,284.295105,295.260254,311.257599,333.202179,335.25647,353.73114,354.278534,364.260651,385.273376,399.252716,420.285156,423.847565,438.292328,583.230957,601.174622,621.06604,621.093567,621.178528,621.227539,621.281311,621.486816,621.68927,621.741516,710.564209,712.897156,729.591797,730.843445

0.1650286224052336,0.1597475199410033,0.013512938801762893,0.18145360933869797,0.0033596517058740597,0.019262748682543164,0.07482388244038805,0.010850788862369662,0.0050853461359743925,0.010698996585498924,0.004202745248854811,0.005390385719326844,0.12455887512503012,0.003066905193995884,0.009178168616121817,0.1176411839450877,0.01574365773902133,0.10794107692012504,0.06996572124557128,0.01486649317141496,0.04012688877969752,0.004049302025258799,0.0057611066020083245,0.11854634896317795,0.0034458343871041474,0.13366413745431552,0.0038518686689285406,0.009414805443513908,0.18546326792696488,0.013714236575788493,0.0696492224197492,0.004080325322784224,0.010888168694539384,0.00465080913080801,0.008386739048861653,0.03487193744614006,0.06600708097948547,0.1634200716469608,0.006932908512560576,0.08782635184627488,0.00824159535367574,0.1505463472813714,0.035551925680168114,0.009960903110090756,0.03971153050902177,0.00570762264465747,0.003409425224261728,0.023976382897962896,0.0033343557871747236,0.059400225021710815,0.09385102649762954,0.013861637762563288,0.04966510315830922,0.003591239990289569,0.006894678166797501,0.06809144233097052,0.009933480266719833,0.01267918027280971,0.004626126057072973,0.011474706120157403,0.020576689380509564,0.004339573932332314,0.05119334957633658,0.0034467696317127317,0.06115752281242101,0.006789925751911846,0.04479869742748669,0.01970121121104253,0.006370134426062662,0.024502649689541516,0.0032207918272210735,0.006464305795141614,0.005004538294885089,0.037614232087634134,0.0423676974616901,0.005613483843895651,0.0038901120687138096,0.03510989160856954,0.005433917573126466,0.006138068722152379,0.006835227907310435,0.008603321801501779,0.003332058386049682,0.015219903406242205,0.02845551062766588,0.44391053181625933,0.023883455932247222,0.02869589905823839,0.00892777840196678,0.005353392862833493,0.012868391490526074,0.0034062404432761524,0.010108904701800519,0.015785915050416658,0.004078588443753332,0.018820380625521917,0.004843156463901641,0.04019798077101153,0.003621720731685953,0.008657860358334912,0.02252966936651119,0.011706559168974005,0.014039204792481257,0.005369314098227179,0.00446200934170121,0.05579957345515307,0.007546723799147584,0.007601276210863169,0.015743863026200643,0.004198201781747227,0.14138034261135504,0.003743428212471563,0.10244306826249197,0.036031535901480845,0.021725459164052056,0.004628544014362094,0.12183876575421433,0.010432736444397357,0.0068123558455707835,0.004176381463088267,0.06548856830378631,0.023097237028775076,0.040511507657809094,0.0932417131401981,0.005336033309112872,0.0037973321409413945,0.007103170362164024,0.004044635946445807,0.003313940978267489,0.003144992219142062,0.003827653617927924,0.004613888378433167,0.003993334520163743,0.005189273691490276,1.0,0.005426326405614031,0.005430775771641372,0.005280421412667441,0.003828970125409711,0.0046116573953188045,0.0035566268099650375

CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

PMUXXFUNXMXIFC

C43H72NO8P

C43H73NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413615

144.047928,156.944031,159.241241,161.191742,163.037094,165.116364,166.054886,167.092957,169.085342,171.144943,173.140106,180.091156,181.153381,183.161865,184.18454,185.072479,186.407318,187.227753,190.346924,191.11351,193.133148,195.176468,197.089264,199.095123,201.204758,203.370636,207.222183,209.170288,209.907318,211.053772,213.163513,215.175934,217.15213,221.148895,223.131561,225.281494,227.13974,233.24704,235.130157,237.18158,238.314606,241.172363,243.250641,245.338104,246.293427,247.322418,249.202332,250.327515,251.254608,252.161499,253.313293,255.20874,257.242126,259.201416,261.257751,262.327209,263.271484,264.117767,265.225616,266.360107,267.549866,269.264221,275.315002,279.194397,280.270294,281.172211,282.110962,283.212921,284.258606,285.290741,289.246368,290.265656,291.392883,292.352234,293.235535,297.245209,298.155945,301.37442,303.262512,304.333008,307.197327,309.468018,311.253906,311.957275,324.379272,325.236542,327.665161,329.279175,330.334076,331.316986,333.306946,335.177612,338.325836,339.18985,341.371155,346.380798,349.311646,350.239777,351.679932,352.320709,353.21106,354.308899,361.356018,364.288025,365.415161,367.367889,372.445007,373.385925,376.268188,377.516754,378.413818,381.456177,385.319763,386.335846,391.282776,396.262482,399.320587,400.22998,401.256805,401.990906,403.51062,404.461823,405.5849,407.581299,413.441376,416.377106,417.032715,420.462646,422.203125,431.052673,433.772308,434.428314,438.361938,439.471436,450.3013,451.77417,452.383148,453.091339,454.678406,457.303223,461.510681,465.266785,478.365936,479.410492,483.317139,484.644043,488.323029,490.528259,496.356598,497.248505,499.34491,500.422821,502.131989,504.251099,505.406006,506.48938,508.391663,510.179413,518.589233,522.365051,523.563354,525.423218,526.421021,527.504272,530.421509,538.509644,539.759766,546.442078,548.439331,549.606018,555.372131,563.976562,564.848389,567.437988,572.715454,575.791504,576.647888,577.603149,578.390747,579.953247,588.6427,589.612671,590.620789,591.674377,594.210022,600.775574,602.47937,603.744568,606.767273,608.771118,609.844727,617.451416,619.729126,621.537354,622.282898,623.740112,625.111023,629.45752,630.367676,636.28125,638.424255,639.509033,642.697632,644.515381,646.528931,653.707397,658.527466,661.484863,663.527466,664.588013,673.448242,674.338623,680.523071,681.370728,685.90332,689.449463,690.593018,699.930908,701.531494,702.753906,703.593872,704.624512,705.380005,706.593262,709.283813,712.490234,716.404907,717.619019,718.420288,719.49585,720.48291,725.855713,727.689209,730.569214,744.503662,745.732056,746.91687,752.924561,761.636475,762.599365,763.631348,764.336914

2.7758943931620223e-05,6.115799156099836e-05,7.152954192925557e-05,0.0001118227375774208,3.9837858359275854e-05,3.2882025360393095e-05,2.423016129557115e-05,0.00014135968586955343,5.813206061329197e-05,6.656781247627208e-05,0.00022148717336833312,2.4429356444772264e-05,9.79805577550954e-05,0.0001157951600481609,0.0006102954214619649,0.0006339119783926848,5.867647384234904e-05,3.967614626156566e-05,3.35125771496133e-05,8.852475404323633e-05,0.00013185346508878308,0.00014761974162336887,0.00018829713963402069,3.4699582388736426e-05,5.790645941577811e-05,6.97887950016813e-05,0.00017377276740679676,5.8699873089564054e-05,4.134817498454296e-05,0.0001762850169756267,0.0002489797876148431,0.00023182803093577464,0.00019533239470230284,0.00016596057749671878,0.00017345420268789796,5.954466704992895e-05,0.000207063409660379,7.933917193652308e-05,0.00028990189931772084,0.00024042800707227386,4.2931409790543546e-05,1.444334479504507e-05,0.00016338119339197972,7.880502869043616e-05,5.325246932997798e-05,5.859338113264852e-05,2.9055100823290775e-05,0.00010794999511882939,0.000294075599570457,3.5949096983436565e-05,0.00010126334674751332,0.00011030153485698169,4.7487416342159216e-05,9.80834311375297e-05,0.0001135320193945179,5.601952034363441e-05,0.00019801610135479603,7.621008992200974e-05,0.0003939496219804536,0.0005953664978143202,7.87720623488193e-05,4.998859324662928e-05,6.983383193587228e-05,0.00021609626970094697,0.0013518477768979617,3.5651198056209394e-05,2.6470783482118645e-05,0.00019230140903125033,0.0014179976743933789,5.827919428143745e-05,0.00030067817032031327,2.498849562321702e-05,6.670842490047835e-05,2.6037756397045264e-05,0.0003363425323513141,5.5107518087448884e-05,5.840246878762569e-05,0.00010822133613910251,4.627128895445325e-05,5.574592747665173e-05,0.0002897961362822835,0.00010863886062630843,0.0038437253614778013,3.507000032541137e-05,2.3779275634281005e-05,0.00042048039396470373,9.500491805056893e-05,0.0001024930893471163,8.141368680239938e-05,1.6295169810502108e-05,0.0003438555911097613,3.1965042140772964e-05,3.3532835092362595e-05,3.7644937141369545e-05,0.00012059929494202255,2.6045943747220443e-05,0.00017551215628423597,3.435845147574058e-05,7.012929678602033e-05,2.1383371478777753e-05,2.6389539109023656e-05,0.0010597030122246206,6.195107982341009e-05,0.004602405241292533,0.0001210855680055537,0.0010194840711132322,8.857918885791456e-05,4.213688971808528e-05,0.0001657646624941697,2.2911885108090812e-05,0.00022019612326582857,0.0001590811207167728,0.0017658993220596372,7.393877927346487e-05,0.0002353315703268215,4.823064290440498e-05,0.036167482795500645,0.00037544628434445877,5.836076840472497e-05,2.163127854128928e-05,3.61055547721578e-05,5.8943988024861424e-05,5.942709375101691e-05,6.018853467258192e-05,3.9839346573960586e-05,0.0007387316202232322,6.554413337527524e-05,0.0005409753880530637,2.2060613291969932e-05,8.73344426245512e-05,0.0003198572962653621,0.0011998271978826565,0.004935409547569719,0.00014576598149493986,0.0001318646635788743,9.911650378019546e-05,0.001141174895597184,8.353910034602076e-05,5.874632013970995e-05,4.985420268789795e-05,5.87823062988795e-05,2.8188512978490308e-05,0.00013951365317655737,0.0001316673558156436,3.9821960928941e-05,6.421842913082623e-05,2.4631003026325777e-05,0.00015103791476391406,6.0954930524671605e-05,4.312254341530085e-05,4.385864129904221e-05,4.7026833421917545e-05,3.206191493746678e-05,6.441662201299476e-05,0.00020811878816804244,5.607641526830168e-05,0.0019506744823247386,5.688459827965854e-05,7.925415713030556e-05,0.0005848154548708658,2.670794329164452e-05,2.9488323155188687e-05,0.0007569783427883416,9.673166361141543e-05,2.2413853846904795e-05,0.00011302704168519704,1.4448820383768481e-05,8.502327992971115e-05,5.333002136868024e-05,8.017156121530302e-05,4.9166443579091234e-05,5.903056046685685e-05,6.866260697898927e-05,4.920409584449675e-05,5.570998470566541e-05,0.00033569147096788193,0.0010024863034352595,0.0034527505331323014,6.047789046653144e-05,6.323151717629703e-05,0.00013552604050286906,6.764559664175462e-05,0.000146329225195518,5.730240479005543e-05,5.521506437721687e-05,0.0002344965430465013,5.852084910674577e-05,0.0005890495384582009,0.00011687435432959833,6.576947424368973e-05,3.3207267520690735e-05,8.247585556073803e-05,0.0003369877667017388,1.0,0.03135198553437971,0.001341453439055873,0.0002824735516482086,0.0001535453178726774,0.00016236878654098556,2.729973641678689e-05,5.2261322688765716e-05,0.0001528963391220401,2.748860517837967e-05,5.4722200648653334e-05,3.743367139959432e-05,5.905337831241661e-05,9.225526135956872e-05,9.603570413597857e-05,0.00014925085528956188,0.0015010742350120944,0.0001011477345944832,0.00010827068585870638,7.493071557961188e-05,0.0001157727760844334,0.00015645274701435064,4.0972472367150806e-05,6.940791183521167e-05,0.00026866597824082614,4.0886993307372736e-05,5.258475122300442e-05,2.481829245804905e-05,0.001061689496805545,7.612220715688083e-05,7.658004360512414e-05,0.00012991680315865974,3.9231942380492676e-05,6.732029373800045e-05,0.0004139480036012192,3.679815166339448e-05,0.0014002231888145264,6.52409367508759e-05,8.060243190766995e-05,9.086079986115781e-05,0.0002581692399475003,0.01610067261663286,0.00037114086624507816,0.00014809693354015036,0.00014450896508335953,0.0012086763046284346,0.0017330633055287392,0.001885594329164452,6.8162892256294e-05

CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

PMUXXFUNXMXIFC

C43H72NO8P

C43H73NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413616

91.054153,93.069839,94.027992,95.049072,95.085472,97.064713,97.10112,99.043922,99.080009,101.023483,101.480423,105.069839,107.049088,107.085442,109.06501,109.101082,111.044014,111.080498,111.116806,115.054276,117.069778,119.085411,121.065025,121.101074,123.080376,123.116653,129.054596,129.069687,131.085297,133.063904,133.100937,135.0802,135.116684,137.059509,137.132187,139.111176,141.069534,143.08522,145.100967,147.080856,147.116638,149.09494,149.132324,151.148499,153.126892,155.010559,155.085373,157.100998,159.116653,161.095871,161.13208,163.0746,163.147827,167.084351,169.100998,171.116653,173.132126,175.147934,177.16394,181.100967,183.116837,184.072983,185.080399,185.132172,187.148163,195.116638,197.133209,199.14772,201.163376,203.326141,209.13269,211.095734,211.146881,213.163345,219.21051,225.162552,227.179337,230.036163,231.143494,237.164047,237.220856,241.195267,242.535675,259.156311,265.19397,266.284241,280.263397,284.295288,293.240997,311.257721,319.0737,333.208282,335.254791,354.278137,364.260376,385.273468,399.252502,420.286926,435.047211,440.911987,621.174133,621.229309,621.283813,621.486938,621.683411,621.736572,621.780212,621.843262,654.148682,687.513062,719.478699

0.09782846887475294,0.1005161890036065,0.003091208505726777,0.009059564625929079,0.12280013390501605,0.014684562657090106,0.04640616948370429,0.006383170117009796,0.004936738472512769,0.004870814813152717,0.0025613876423633115,0.07951473785958862,0.004109583217366044,0.06432222630756165,0.008087385297481979,0.0678107473798913,0.03265877803564978,0.007649394263028075,0.026015517593037347,0.006194556052195111,0.07988113486916827,0.09762105483304259,0.006741136621548406,0.13591109739376336,0.005918904253533051,0.04848597504146906,0.017739123754347167,0.039218549307413524,0.10520259744891795,0.003885938375035974,0.06947302777151164,0.008473052810987362,0.1055971326647139,0.01851424181389891,0.03311864392415165,0.005107525936866243,0.012978351241318676,0.04018943008916958,0.07323172151343493,0.00905278956259607,0.032893832146784485,0.005884658484552999,0.041236092308050344,0.005583138285539475,0.011623491222380013,0.007127391384614544,0.01894928980482534,0.03531887269393266,0.05280103415331661,0.005244198953624011,0.035578015186826115,0.009040600510109001,0.016327203612116446,0.00801487574519812,0.02624780371029121,0.032804490201586704,0.03851069199147165,0.007715330950370997,0.006385951121798821,0.00920845013871321,0.017237315256788795,0.02717254827263052,0.010074784977768259,0.015818376207681985,0.011161202316885792,0.008952553969860656,0.011919359291640405,0.013591242092071514,0.03721126110506259,0.0030928730994647033,0.007245308203962994,0.014278332359376474,0.007496939868372898,0.011894290225483026,0.040099871380875424,0.005383107404910423,0.008392762001395972,0.0032024821124417265,0.0034383610673464097,0.0035160996558217493,0.12289391125515524,0.0031296679648938792,0.003062490596959453,0.0031900606564489596,0.0044082236857753984,0.04821774912474431,0.026004481149928618,0.012968196466523823,0.003555833142435593,0.09372199934529288,0.00301170296079096,0.0037166237386594613,0.004623445040759015,0.051018180497368816,0.012275729706067924,0.04324867046906049,0.06541066646725932,0.004390218876851256,0.0024448126028024,0.003007561428212834,0.00405072511291511,0.0053017046066107425,0.004984345197749638,1.0,0.004699959084217964,0.005694281612425723,0.00444688662393577,0.003417168824961866,0.0031278069440066223,0.003090124929290435,0.0039891735626478375

CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

PMUXXFUNXMXIFC

C43H72NO8P

C43H73NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413617

154.012192,161.101166,163.127029,171.013107,173.029099,175.110825,179.162781,181.084702,183.985733,185.036591,186.038696,187.0905,189.022659,193.122574,195.152603,197.159027,199.108932,205.066193,207.078201,209.02652,211.079376,215.12735,218.1651,223.046967,224.19696,225.162048,227.219727,233.161301,235.253952,237.259979,241.30896,243.266968,245.286835,248.149994,249.193649,250.222931,251.224915,253.166245,257.090485,259.239838,261.173645,262.919769,265.160187,266.338043,269.238159,271.352051,275.065796,278.335022,279.220215,280.242004,282.096771,283.118866,284.360168,289.131287,291.195496,293.379578,297.084778,303.075562,305.205383,307.226868,309.248413,311.216248,315.262299,319.275085,321.246796,323.190125,325.29007,326.428986,327.332336,329.26178,330.185852,331.212158,333.206451,335.316681,338.233368,348.089203,351.351532,354.322876,358.276855,364.251892,367.290222,373.061462,376.411957,378.512695,381.333679,385.277161,386.190979,391.420868,393.32608,399.234467,400.483063,409.306183,416.342682,417.942688,420.398468,431.300262,433.637726,434.405762,438.28598,439.1987,448.362671,449.519897,452.286255,453.690704,457.363922,460.535217,461.568604,463.376953,473.274811,475.776642,477.469635,478.27774,479.267548,482.299438,490.614777,492.347748,494.169739,501.512665,504.214844,505.317291,506.084839,508.416077,509.16864,519.151428,519.847656,522.235474,524.395142,526.412842,530.547485,536.427734,547.584473,548.69574,555.853027,573.629028,575.617798,576.467773,577.622681,578.529846,582.703369,586.523621,587.787842,589.604797,590.625,598.787292,600.705994,602.781738,603.707336,606.699585,607.749146,615.962158,621.513367,622.16626,623.35376,624.128418,625.849243,627.769043,634.695801,638.62793,639.618286,642.568176,646.664185,663.206909,664.567627,667.636841,673.748779,675.518921,677.842041,678.630981,681.627319,698.708496,699.825195,701.542236,702.603149,703.609375,704.633667,705.504395,706.717529,717.84082,719.441162,720.881226,727.468628,730.491333,744.542358,745.610107,746.225098,754.160767,761.64978,762.630859,763.652344

0.00012555757761116107,0.00011736924510679225,0.00019376978017508143,0.0001799026818289944,3.708902584824697e-05,4.421151220637407e-05,0.00019286762950125168,0.0004979012446825272,0.006206015157796746,0.0016328796176671393,0.000269405985638833,0.00012061194182625521,9.965483523171362e-05,0.0002741573722751009,0.0003326584223311719,0.0006873163087702389,0.0006489769020617017,7.457437953806594e-05,0.00015468182158005788,0.0003554745052729353,0.0009449438522239419,0.00026227228220630197,4.5648352214159125e-05,0.0005089223036769983,0.00020009885953015732,0.00012573010438774533,0.0005897140136197328,0.00020963239737573514,4.3154365553794646e-05,0.0001731494889768312,4.94291917029403e-05,0.0002101604170978827,4.126662815328327e-05,9.470848767005358e-05,0.00021594993013013202,0.000182317147208655,0.000560075445040681,8.45085817909959e-05,0.0001247880283104261,6.678820089981268e-05,0.0002545931073400948,9.683240314244493e-05,0.0005937815014246863,0.0011743135685533077,0.00010905412407282118,0.0004315380799533721,7.862375657894059e-05,0.00012747016129281395,0.0002831675564905864,0.0013978501952958066,0.00011098836422127277,0.0004897955837300522,0.0021532096332887445,0.0007518276544628671,0.00017554580404926005,0.0009197489850075842,7.968952363887628e-05,0.00011513093129274188,0.00013778103844026975,0.0003608662669101042,7.759738768045425e-05,0.004116487518471492,0.00037561648249237196,0.00019325082901602424,0.00026633025329243087,0.00024142390610148792,0.0003827210953453384,0.0001635008410128402,9.44608420838006e-05,0.00030559278172694423,0.00018242937067689845,0.00014569434831545138,0.0005741105886060111,0.0002743418147217923,0.00011108234511492743,5.525006245552682e-05,0.00022885925376715465,0.0009529048511416541,0.00011681749949283848,0.011497339875253709,0.0011713729815228439,0.00019263751471283331,0.0001442535539923653,6.645539254302635e-05,0.00027599459988816703,0.001334237388669033,0.00029305553279764717,8.246819463881346e-05,6.781847138939604e-05,0.07058001001512731,0.0009689563791652893,0.000350298385630183,0.0009163901632287809,7.76108982577328e-05,0.0009002667325719217,0.00020129560669391436,0.00014671690789019772,0.0009067971129379223,0.00891031887886923,0.0001519678431784457,0.0002846814661035886,0.0001929733283492484,0.0007342520278738038,0.00021186081222048192,0.00027032863284697314,0.00011125843077528263,6.874291122047265e-05,0.00022278412054071143,6.38007025088277e-05,0.00013645075404879667,0.00015460705865876629,0.0001657014438399697,0.0005137511553500136,0.00010464097638635308,0.00015658047289080014,5.191749733032229e-05,0.00012826583543663775,0.00010278511076716806,0.00011757974649131751,0.0005858728312794579,0.00015494910693230604,0.0018159794029601758,0.0001006825090542493,3.470475825643529e-05,0.00010287702223581518,0.0005217585647483089,0.00025323970338516163,0.0011376092184975455,0.0002196334671004056,0.00011265659757942357,0.00014544567460722012,0.00010854517733147562,7.214787985883919e-05,6.72573276860768e-05,0.00038255837527070066,0.0017316102898698473,0.005911386809269162,7.562236536019796e-05,6.540553501165184e-05,8.518142172051847e-05,0.00021778224121117383,0.00011193307650879268,0.00017833367542279766,0.00014185420727820563,5.22380341286244e-05,0.00015048199602302976,0.00022153598045909187,0.00021734692382073358,0.00010041296974227956,0.0001797018421548547,1.0,0.033879313957600264,0.0018291668863165242,0.00015682169930521445,0.00011969688690349308,4.918622538979354e-05,0.00014857058545491618,0.00012041203800673674,0.0011033236176630204,6.894629483745602e-05,3.770145702102069e-05,0.00027265808044766145,0.0036757211869948335,0.00014456436317502686,0.00014221615893876064,4.5211453097598474e-05,0.00013183826932800324,0.00022517159112791694,7.634009994943832e-05,4.59927335337265e-05,0.0004755403693371682,0.0007197804992529022,0.0001890059901698193,0.0007239857554029437,0.00044579952898338057,0.00011431303389692624,0.00024321262744686132,0.0009138050823249314,0.002365151100360316,0.0001838935218223627,0.0003246200638251204,8.938061458709842e-05,0.043530865021712696,0.0008102403255719597,0.00017457566551435446,0.00026611300320979187,0.002077075671795949,0.001974148798825239,0.0004688740132490158

CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

PMUXXFUNXMXIFC

C43H72NO8P

C43H73NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413618

91.054085,93.069717,94.736504,95.048767,95.085381,97.064713,97.101036,99.043915,99.08075,101.023102,105.069664,107.050133,107.085304,107.991951,109.064514,109.100967,109.247314,111.043747,111.080215,111.116554,113.096626,115.053566,117.069572,119.085274,121.065674,121.100883,123.080696,123.116554,124.015068,125.095551,125.131477,129.054306,129.069534,131.085129,133.064163,133.100861,135.080276,135.116455,136.430206,137.059128,137.132156,138.2565,139.111084,141.069,143.085144,145.100769,147.080582,147.116531,149.095551,149.131989,151.14859,153.127075,155.010773,155.085266,157.049057,157.100708,159.11644,161.096191,161.13205,163.074921,163.147675,167.085571,169.100388,171.116425,173.079758,173.13205,175.073013,175.148712,177.162445,181.101151,183.116302,184.07283,185.079102,185.131989,187.111053,187.147064,193.817978,195.115997,197.131683,199.112579,199.147293,201.125687,201.163162,203.105286,209.131958,211.095551,211.147934,213.162888,219.21019,223.147766,225.162292,227.179245,233.439514,237.220596,241.179794,241.191711,242.419449,242.434082,266.283508,280.262543,284.293243,293.226044,293.582825,311.257141,333.205109,335.254791,354.277679,360.10321,364.260162,367.260986,385.273071,399.252014,410.433289,420.292358,438.296631,444.146484,459.127228,577.511108,621.225586,621.309265,621.485962,621.650818,621.735352,621.787231,621.878967,664.451904,706.138062,725.701782

0.0969919147105276,0.10536936479699645,0.002809221150564389,0.00540592052201005,0.11269745158112941,0.01363584488341517,0.04479654435141873,0.005450778431279832,0.0031815602813465697,0.011530423786817503,0.08715750308880951,0.005056480224155596,0.07438553442352246,0.0026994708283271302,0.007968020151580765,0.061053309771356826,0.0028784681660389234,0.04082439588093092,0.010901493873887934,0.02779300454450727,0.00391172943559439,0.00488356099229601,0.0835940943650508,0.08728420179229729,0.004972188396685052,0.12822115952600002,0.005917777152916634,0.044803745289463584,0.0033545412120074753,0.00593898303093011,0.0041889589397356,0.02021155711470547,0.04736314294149331,0.10729120663521322,0.004584781150248105,0.06783152735758384,0.00549244984468663,0.10241233058123647,0.004029502407821745,0.017259652004140737,0.027023766569878482,0.0028328118269848198,0.005662039577050348,0.009544054977418519,0.04753653751209714,0.06937600230064177,0.008474872687232743,0.03376088843336091,0.008945728379372095,0.03945744868323002,0.00722550949574401,0.010537323040963076,0.01041896418809727,0.019330400223211166,0.004158177816216318,0.037129008476646776,0.053773619397991745,0.005751970588970124,0.034124666930702464,0.009556554918089585,0.0199206027874532,0.007245548256014061,0.01870846916862875,0.029951810733176022,0.003870887924809938,0.030133022928868144,0.003328072383245776,0.006658687660015199,0.005614751938887631,0.011798446109974646,0.01929823743350345,0.1784282945902297,0.013416686054599532,0.023302766509815685,0.004522653402523582,0.011530032784100292,0.0029149950817968936,0.00991945890479042,0.01142895987157152,0.004070181201453867,0.01355044267100144,0.004738088418458754,0.03660661515232797,0.004434182781882979,0.009521711476698348,0.016529794805051783,0.008109986728654265,0.009459484645428432,0.04052063915989408,0.007505839547383161,0.006453844113989027,0.005924520810403004,0.0026081174763053004,0.11652297543002252,0.0024228242381224277,0.0025176483304501147,0.0023556416817383124,0.0024251489930617576,0.07000556465853161,0.0312166431900173,0.017515091060998272,0.004034238188533052,0.0035106573880161703,0.10388726297801089,0.005450085297916718,0.004284351005000868,0.056388808545828895,0.002949103082075541,0.01572953299628807,0.0054721516054855954,0.03863605116540318,0.08525951041704354,0.0031931266568099373,0.0042274960110396925,0.005899561581476652,0.00292963083288994,0.002945012537539426,0.005467125861905928,0.006177570489813624,0.004470918635149669,1.0,0.004308346464254067,0.005461726141898471,0.00560858298316282,0.003557584528896892,0.007806900503754828,0.0027368010753769834,0.0032981621802279063

CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

PMUXXFUNXMXIFC

C43H72NO8P

C43H73NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413620

95.084732,106.857414,119.085503,119.560196,120.088829,136.91655,162.050629,167.639832,184.072906,185.077042,197.168839,205.538589,221.845337,250.317413,252.2677,264.268036,266.283142,276.609894,282.278717,284.294495,299.174469,309.655457,322.338745,342.196899,468.848511,496.412964,518.527222,530.528687,532.545166,548.53949

0.011654344806652244,0.008506641543301649,0.030421944597971155,0.007587617991660437,0.011861887772088908,0.008645615866406369,0.009071918868577982,0.009188002661074713,0.4726118200106869,0.025157012260202425,0.008448188419837743,0.008560294423749733,0.009842822072804378,0.009296491663360494,0.08855343979401278,1.0,0.01910616514123835,0.008827195084105165,0.1295316547204246,0.021787759835071023,0.008540877136468278,0.009723790842771973,0.008646744743615164,0.009212409609876024,0.009040717253303106,0.008479397098175481,0.021984084516360223,0.02667243577451011,0.015714726565495316,0.0764614822379446

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

YMYQEDCYNANIPI

C42H81NO8

C42H82NO8

[M+H]+

Orbitrap

train

MassSpecGymID0413622

91.846527,103.353188,106.858543,110.696419,117.554871,119.085098,124.370575,126.003265,128.484222,159.825943,167.232101,167.913818,252.2677,264.267914,280.736755,282.277252,284.276367,290.953491,338.275726,339.282806,340.291534,347.284424,366.441528,488.739044,587.530823,604.082275

0.05422466657451184,0.05395133282626029,0.06514962675262341,0.05248070278312149,0.05425681602482968,0.06488320524824906,0.05133447028306764,0.05193625798615257,0.06390454855714658,0.06669063846624136,0.053480685826230785,0.05695402489436973,0.09913574096294697,1.0,0.06072914003920011,0.1475492332184792,0.06351473891587969,0.055577009185771166,0.16094717485889926,0.09693905839801925,0.12322595683722644,0.07463127505102629,0.060778730259941675,0.055190455569839585,0.5619962976461076,0.05580691559329287

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

YMYQEDCYNANIPI

C42H81NO8

C42H82NO8

[M+H]+

Orbitrap

train

MassSpecGymID0413624

102.32119,104.38868,106.852142,112.702293,119.08532,120.088631,123.507225,128.248215,184.072891,197.550568,222.860901,252.267593,263.838135,264.267761,282.27829,284.293579,308.561066,318.696991,371.673035,399.227478,518.525513,530.525696,532.549316,548.53949,728.5672,729.589294

0.007547651425944357,0.007901994597361474,0.008408079190149317,0.00777553189382097,0.03585411509307724,0.014628347748657306,0.007531328243254248,0.006575030187965879,0.10060533892083921,0.007208223602417994,0.006749170220092308,0.09595202306477718,0.008110197512969366,1.0,0.13308520679830319,0.025869423714415918,0.006988323122506042,0.007514752859257267,0.008587731375611295,0.009407163444404626,0.012139779909096282,0.024894352578358567,0.012576900243105331,0.06539191021093192,0.009363319827130113,0.009110537661004055

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

YMYQEDCYNANIPI

C42H81NO8

C42H82NO8

[M+H]+

Orbitrap

train

MassSpecGymID0413626

102.534294,106.167763,110.721619,119.085106,121.649834,132.688828,135.010544,149.27684,165.236984,184.073227,192.808487,237.560928,252.26738,264.267853,282.278839,284.29538,354.59906,426.866486,444.669922,494.324341,517.112183,518.52948,530.528931,548.536682,646.060547,687.861267,711.58429

0.010468875856393634,0.0089843690784037,0.010158887564418104,0.02733948457882951,0.009145736122100583,0.009108814376182666,0.00904189551640325,0.01167612005071779,0.01017966805450016,0.05933157524011378,0.00936389077610046,0.01160243274177712,0.08911888267450185,1.0,0.11528851482950447,0.01459271642752363,0.009113987503123982,0.01108261069484726,0.009717051319635432,0.011604065818313736,0.011297407642746192,0.013137285591394883,0.03215776491072229,0.0479023683252525,0.010286800998484062,0.010822771585500037,0.011583579578615324

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

YMYQEDCYNANIPI

C42H81NO8

C42H82NO8

[M+H]+

Orbitrap

train

MassSpecGymID0413628

95.085167,109.100517,119.310074,121.101425,121.126244,133.095413,173.510117,252.267471,261.864685,264.2677,282.278473,284.292725,337.273254,338.10614,338.275269,339.286835,340.292267,341.293762,355.252899,410.215088,495.973694,504.58905,530.52417,548.539917,587.536194,596.894531,710.289368

0.0354048881353948,0.01620983707563944,0.01219930468115066,0.017917351231317023,0.013473549994340698,0.010697716462661442,0.013530659675120632,0.1078026212370443,0.012056831332886365,1.0,0.10560043110855664,0.025225759725716595,0.05127511644513082,0.012895819640429044,0.04838316728161887,0.05252517597463333,0.07228805324223153,0.03369961904145543,0.012260726641262584,0.014028696343714585,0.013348866176471326,0.012710617038713967,0.016110303447269023,0.045084716057867735,0.03653812156311166,0.013144898742864033,0.014400508661024356

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

YMYQEDCYNANIPI

C42H81NO8

C42H82NO8

[M+H]+

Orbitrap

train

MassSpecGymID0413630

92.753586,95.0849,104.604904,107.085335,119.085365,120.088242,123.114769,124.482239,125.326622,145.367523,149.1689,153.538193,166.294815,184.073212,217.835098,252.267792,257.355988,264.172638,264.182251,264.268036,282.278534,284.292999,287.845856,365.55426,366.386322,449.382599,476.250153,493.547089,509.314911,530.516235,544.414856,551.651733

0.010122630175236942,0.016507503104618237,0.008412155904423742,0.0109416963816181,0.05473957375391108,0.014480314341285265,0.008943925939277508,0.008526606238299008,0.008281555376982308,0.00837526919381388,0.008363867887654268,0.007701768979950311,0.008017781107932567,0.08734375801128459,0.00847992332916458,0.1210410127388055,0.011278179804438482,0.008498104954594556,0.009794189118752301,1.0,0.12981784108666738,0.021940171269210544,0.009309753385786977,0.009226796434535427,0.008991015355694916,0.009243189531878054,0.008484295467193634,0.007932918156337994,0.012090289223271395,0.009173659406052984,0.009152618520214102,0.009759666959616223

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

YMYQEDCYNANIPI

C42H81NO8

C42H82NO8

[M+H]+

Orbitrap

train

MassSpecGymID0413632

138.442734,146.981613,164.622482,169.561935,181.467682,184.072968,185.22995,211.390656,237.825073,239.239243,252.269104,262.793243,264.267883,285.002716,471.871857,520.838379,523.471191,531.253174,545.452454,651.418518,669.439514,670.589233,728.517029

0.033521905234333654,1.0,0.03970203760350268,0.028775100284547862,0.031066118994338716,0.4355726316392967,0.03423344100220567,0.03435568406392873,0.03337162865538196,0.037653080891443085,0.050508950168483016,0.03685146645668201,0.3315917493852632,0.031174630325440177,0.04281704213616941,0.038583916556402184,0.5274996010846427,0.03516989353340634,0.48035663124333366,0.03448353032763004,0.15141777210741977,0.03577838452952193,0.05564380610532643

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

YMYQEDCYNANIPI

C42H81NO8

C42H82NO8

[M+H]+

Orbitrap

train

MassSpecGymID0413634

99.204361,127.001541,146.981522,157.099335,184.07338,202.682892,211.206802,241.088333,264.268036,278.292297,282.281158,468.845947,484.686981,496.962402,523.470398,545.452087,548.081665,576.637451,657.829102,669.439148,728.505127

0.06914837099942946,0.06381909713249663,1.0,0.08008610550105792,0.2913158876344156,0.0575958261648893,0.07053976371206638,0.07596553532446479,0.8180065279689608,0.06376166758630243,0.09962327492664974,0.07628288624026712,0.059675771995884974,0.06887036291336189,0.5867550239225,0.7360038959921824,0.0796514413684845,0.0754126966125615,0.07772429063067515,0.22881730626202737,0.15505067634515393

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

YMYQEDCYNANIPI

C42H81NO8

C42H82NO8

[M+H]+

Orbitrap

train

MassSpecGymID0413636

102.981674,105.328163,123.244835,146.981705,184.073288,193.233475,194.130798,219.635727,226.17215,248.849625,264.268127,278.624023,282.278351,283.019531,381.654602,396.382538,427.555756,523.472473,545.453613,548.525696,602.333679,657.238464,669.438416

0.049677878897357766,0.0437075700839056,0.04633059115885318,1.0,0.38353948698906565,0.04624469545180899,0.03963847541200197,0.039399476580185444,0.04459291103096265,0.0468253448643281,0.5638596224557489,0.04105267643609629,0.08252639400409718,0.04604163967048641,0.044751037071317855,0.04354123303561642,0.03859579477740332,0.457918630730888,0.5667721220378221,0.04052624129484471,0.039287774583105936,0.03821580126236914,0.16319548807586748

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

YMYQEDCYNANIPI

C42H81NO8

C42H82NO8

[M+H]+

Orbitrap

train

MassSpecGymID0413638

101.766281,109.741196,114.029968,118.66391,124.999825,174.091232,184.072861,211.584854,224.348587,252.268143,264.268097,282.279388,301.194397,351.357391,469.883118,499.93042,511.26709,532.472534,539.876953,548.542236,576.892517,619.283813,687.383545,714.416016,729.430542

0.011144781126476258,0.01266280192736842,0.01095831462073348,0.010671818523869708,0.030132120943856353,0.014064721478184817,1.0,0.011275857277501408,0.01035106548108323,0.06296197120377255,0.6652186816123964,0.08446333119465198,0.010917742956984992,0.012142227143362395,0.01582814449940328,0.01356867355986446,0.04025868160805412,0.011724205438652161,0.013489688366099895,0.0441212294280132,0.01245006662709712,0.012694579149845453,0.03925807471255201,0.024892532362762947,0.09430273503035592

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

YMYQEDCYNANIPI

C42H81NO8

C42H82NO8

[M+H]+

Orbitrap

train

MassSpecGymID0413640

91.053581,95.085274,106.760078,113.022186,124.750175,187.063797,252.267868,264.267639,282.27832,283.035126,336.096344,425.137878,502.842194,518.532471,530.527344,548.537903,587.536682,587.60437,709.646057

0.00932837024907188,0.017741434180491476,0.008016829439527563,0.009810253629270026,0.008442537095483935,0.00904092956476769,0.08304025884600863,1.0,0.09516387493696489,0.00785875811172359,0.009467372214581772,0.010672100080063779,0.009964237907223821,0.021873903411390155,0.02442945698189705,0.055705537494729895,0.008899971420087955,0.008749919775618122,0.009599054209695725

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

YMYQEDCYNANIPI

C42H81NO8

C42H82NO8

[M+H]+

Orbitrap

train

MassSpecGymID0413642

95.805321,100.588921,103.617805,109.874115,112.315712,115.458435,116.341072,122.014091,145.733826,145.825363,184.07283,210.748611,212.337311,216.801453,252.268768,264.268188,282.27951,291.493713,328.182373,408.083374,511.271149,532.529175,548.181274,548.537292,729.432068

0.014809830393005081,0.014010733439952466,0.016331843776895207,0.011952757024317164,0.013379208873651047,0.01334332691588765,0.014110386730035777,0.014394207322647621,0.013004122685278239,0.013465276446324073,0.5213952055101735,0.012591887775193265,0.015205606146471382,0.01693262360783447,0.08520054725738473,1.0,0.10129142994722355,0.014809836087235207,0.014842441031119603,0.016075425344330038,0.02009918105980003,0.017707333293437585,0.014283112488398248,0.05159484068600218,0.04226436351021034

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

YMYQEDCYNANIPI

C42H81NO8

C42H82NO8

[M+H]+

Orbitrap

train

MassSpecGymID0413644

99.033028,124.231346,125.000015,128.125458,174.964279,184.072708,236.881561,252.268295,264.267883,264.985168,282.279175,294.858032,301.681976,341.429871,353.345001,468.871216,548.538757,647.038086,706.5979

0.011884903856334006,0.010500021580931858,0.02518232318214252,0.011865797079847452,0.011184884758412308,1.0,0.013024764578221599,0.06692621823993383,0.634799165188081,0.01185296611852957,0.07073365451604965,0.010558566843708431,0.011518552563311125,0.011462973507525929,0.0117869111223238,0.012452080059154193,0.04797287503229331,0.012801971733212307,0.013639871760457625

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

YMYQEDCYNANIPI

C42H81NO8

C42H82NO8

[M+H]+

Orbitrap

train

MassSpecGymID0413646

96.805786,98.945084,107.796608,113.619995,124.999458,142.730713,176.92366,184.073227,218.045929,245.267441,252.268387,264.268677,282.27951,511.268494,518.52655,548.543884,669.579834,708.000061,714.415955,728.442261,729.43158

0.01580398895435174,0.01414337593098829,0.015833905541150866,0.016232765498096872,0.019760529466974618,0.016765417270388428,0.018440861719892544,0.7327791652562552,0.01414737788889635,0.013659444945614614,0.08361319892218656,1.0,0.12369034101073557,0.09952690269477545,0.017795813521265712,0.06665710086260185,0.014519008793135876,0.019549772746492805,0.03132149290432769,0.018972454650777234,0.1739685762692895

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

YMYQEDCYNANIPI

C42H81NO8

C42H82NO8

[M+H]+

Orbitrap

train

MassSpecGymID0413648

91.76265,114.492706,119.815315,121.067642,124.636696,148.686478,178.084625,181.499146,219.942017,252.268433,253.893051,264.268738,271.183685,273.033936,282.279419,293.302612,299.064087,319.262207,321.343689,381.028564,447.883484,459.294495,616.577454

0.008529552684203788,0.007289426969615369,0.00966249121304557,0.008260812514071045,0.007685234950050545,0.008363284568421702,0.008310357561283545,0.007365188165753611,0.00868480839980753,0.11647259256872189,0.009913774059833399,1.0,0.00835628245390215,0.007279992380666493,0.13528780565843668,0.007849060358717868,0.00942321445819299,0.008088432500915997,0.01015547035478901,0.009105503683855048,0.008911706713047777,0.008557140816407613,0.0089778193961921

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

YMYQEDCYNANIPI

C42H81NO8

C42H82NO8

[M+H]+

Orbitrap

train

MassSpecGymID0413650

100.902054,102.066864,124.999069,184.072708,231.396973,242.641953,252.267746,256.917755,264.267975,282.278259,284.293701,332.522705,339.287903,352.304474,370.840485,378.855103,406.434357,469.214325,508.760162,511.266388,518.527283,530.526733,544.520508,548.280518,548.535706,658.756958,687.387695,714.393372,729.432434

0.011907772655518973,0.011414383176113483,0.023195729363761273,1.0,0.010062133925087771,0.011007167122489867,0.06809617047592814,0.010861881466328929,0.7758283704195122,0.09351224522305195,0.01954330069398517,0.013018974562174674,0.021615853902780056,0.011437328602266341,0.011478682611371572,0.0118258442407525,0.010511834402323401,0.016727586485688842,0.013539801468529332,0.06345343095220125,0.0181353559185323,0.028240979131396778,0.011706723603078716,0.011840455901147295,0.04204192250097035,0.012664274123444995,0.04202517556190408,0.01922167553436906,0.17553231757002585

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

YMYQEDCYNANIPI

C42H81NO8

C42H82NO8

[M+H]+

Orbitrap

train

MassSpecGymID0413652

90.432724,100.457458,107.379601,110.425728,112.521164,125.000145,130.997787,159.784882,184.072525,184.770355,187.740906,246.453705,252.267349,264.267639,282.277863,452.600128,459.15036,511.263275,548.540894,704.788879,714.680481,729.432983

0.011845793478265358,0.012589649777604616,0.012608843887672264,0.012612755699669114,0.013373869037210346,0.02037218325125387,0.0113681375112178,0.01168330603615372,1.0,0.013664653161600199,0.014126837384226985,0.011443952874457132,0.04942282446086508,0.5722621081654197,0.07217839675046471,0.012715487654914362,0.014115294319645854,0.017010667952674384,0.03684777856254425,0.014253195012099235,0.013668083931321184,0.04131137055531011

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

YMYQEDCYNANIPI

C42H81NO8

C42H82NO8

[M+H]+

Orbitrap

train

MassSpecGymID0413654

91.052818,146.349884,210.250885,238.903946,251.822617,252.267868,264.267853,280.697266,282.048309,282.27829,283.046906,300.484253,306.296082,339.284607,342.347046,392.519684,456.421051,470.439758,487.337097,548.540466,642.339478,676.972778,739.885132

0.021985483207512556,0.018764650394506,0.021575729048796552,0.018081686540505557,0.022399594258195706,0.08789539580318997,1.0,0.017914160811685367,0.024546871757991303,0.16013393008353838,0.023288981243423035,0.023528424241709315,0.020876357741303152,0.023790492249605534,0.02237066273672496,0.02122016907481357,0.025489253248974632,0.01830799850471304,0.024949850649469512,0.04805934933539864,0.02030545748011606,0.02297997736568349,0.018465375637968084

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

YMYQEDCYNANIPI

C42H81NO8

C42H82NO8

[M+H]+

Orbitrap

train

MassSpecGymID0413656

91.414604,95.085938,101.953522,101.982788,109.939034,123.367783,124.999657,131.309418,184.072815,188.673599,204.50737,215.015823,236.450882,252.26799,261.884399,264.268066,265.270386,282.278564,284.294617,395.4935,410.474121,458.785614,530.526123,534.366577,534.418274,548.533997,633.789368,660.740906,674.324219,727.5,728.516357,729.520203

0.006590063775010832,0.01384613669451521,0.006665935690035346,0.006411429866992275,0.0077550185214595845,0.006825457009057494,0.021499339157863145,0.0076863384854339405,0.5325808657749501,0.007273928588388826,0.007156064296114026,0.008956379578243892,0.008998290425540971,0.10456781838903455,0.006760560571992549,1.0,0.008390291107875082,0.1426423445377583,0.01856995987980678,0.007866856344503445,0.007107038086147727,0.0065539155960041414,0.013031217822972525,0.0075003889977978515,0.006314128131761029,0.010002288222946683,0.006974797158032021,0.007558164308869298,0.00874893453101926,0.019266465397010473,0.03857387569879768,0.02472520089249777

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

YMYQEDCYNANIPI

C42H81NO8

C42H82NO8

[M+H]+

Orbitrap

train

MassSpecGymID0413658

94.533737,95.085625,104.693413,110.916649,112.243927,138.77121,184.072083,190.938004,238.865463,252.268143,264.268158,281.048035,282.278534,284.295959,317.52066,318.98233,325.788879,386.551636,399.73349,416.590179,455.610626,483.950348,637.545227,641.376892,688.783264

0.00787645916377106,0.0227122472659232,0.008192167829524094,0.00916101528268417,0.008700002022674524,0.008483923632170518,0.014380545325209049,0.00886476410298153,0.00861882085736335,0.11776574041857871,1.0,0.02895630470604914,0.12189510300671944,0.015276201318985307,0.009440907270698844,0.009047856574139786,0.00900940186916277,0.008413412495490305,0.00852654111956159,0.008868048626627732,0.008418549492551433,0.008697098891005613,0.008806178575346811,0.008349073565521769,0.009717156932354695

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

YMYQEDCYNANIPI

C42H81NO8

C42H82NO8

[M+H]+

Orbitrap

train

MassSpecGymID0413660

115.292107,115.996193,128.962631,131.585129,142.385559,144.890701,180.588196,184.07251,198.626816,247.707764,252.267899,264.267548,282.277924,284.292847,296.728424,297.950348,309.539764,329.49881,508.966797,511.263855,530.531738,536.815369,548.535034,568.637024,589.056274,704.138794,729.430115

0.015308260131177366,0.012684555502297823,0.013967540551508478,0.013640794414778355,0.01429328920122081,0.011941333635524166,0.013727328928085218,0.20577147481887692,0.015226920927582929,0.01474375496815511,0.09498858122935518,1.0,0.12871234594316464,0.021516112090338727,0.01576626611884369,0.012782113202115131,0.012776457292319096,0.01664287665254231,0.014912374928982602,0.03451030393761801,0.023522221984689336,0.014840514075609984,0.056575825815570684,0.013940373648755224,0.012956089977320373,0.015747116489971808,0.05450814995811696

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

YMYQEDCYNANIPI

C42H81NO8

C42H82NO8

[M+H]+

Orbitrap

train

MassSpecGymID0413662

92.818413,94.375572,118.490044,135.413544,168.037521,184.072357,189.134827,208.139954,237.545288,252.266861,264.267517,282.278381,294.284424,358.977692,379.744629,382.981445,407.139191,446.077393,466.9422,489.062866,538.122009,548.543091,552.612305,650.834229

0.01912092078730889,0.022049250964605114,0.028094633285202814,0.023717459917813325,0.02221482090128164,0.04925558084330149,0.025084060958702973,0.021511161764838742,0.021594125733634964,0.06476571717266737,1.0,0.1036358839320217,0.02126091063044338,0.025516822925911564,0.021720603983858472,0.018778268203204742,0.024488729833170603,0.020149702223674758,0.02284993788061352,0.022558247694629403,0.024907873310584732,0.033517766201905844,0.022057706132110222,0.030744273283500254

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

YMYQEDCYNANIPI

C42H81NO8

C42H82NO8

[M+H]+

Orbitrap

train

MassSpecGymID0413664

98.390205,99.758026,108.573273,122.292892,132.778046,133.444382,183.727264,184.072693,187.25824,210.783188,216.109955,226.554855,228.423523,229.750336,237.1259,252.267838,264.267975,282.278656,284.293304,287.912933,372.893799,406.641388,406.879028,472.001984,482.908539,511.261688,518.520935,530.524292,548.53833,570.467896,624.271973,687.377991,718.880798,729.435303

0.014182641416233727,0.016596108558507693,0.013941329092041288,0.01955419975112588,0.01817185379779852,0.01709611773400425,0.016077266001738914,0.35415952306112297,0.02025869571888466,0.015936739075345898,0.012820658637506175,0.01518294489308506,0.01489005437458753,0.014271962210067855,0.018770164171469247,0.07682121795676965,1.0,0.11085563603033823,0.025788461665781,0.01519659750504506,0.01768522526143253,0.018828962484038057,0.02130706589579746,0.016672461227975444,0.0170682907953632,0.051307227997103556,0.024512212349659352,0.021598341739204815,0.05006030400471053,0.014964443532088374,0.017991010088306184,0.02807722427953647,0.018090211125930643,0.08974147195771534

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

YMYQEDCYNANIPI

C42H81NO8

C42H82NO8

[M+H]+

Orbitrap

train

MassSpecGymID0413666

92.131897,93.069351,103.761688,109.101364,120.956116,143.979279,144.283661,164.643066,252.268768,254.702591,264.268188,282.27887,321.959137,335.41925,337.273956,338.276611,339.288391,340.291412,341.295166,352.35791,370.818909,389.258484,418.153656,434.09964,443.260132,491.956146,518.528015,530.527771,548.537292,587.525818,697.384949

0.014873831530514274,0.02006304264574608,0.016775744707275095,0.02692841579223923,0.014646584717751298,0.017071259758008703,0.01515819524915947,0.014023147038310245,0.08518235367703013,0.015270213094847752,1.0,0.10999002116078,0.015489791730135693,0.02037188434271955,0.02816566451205616,0.05122484641555019,0.05236287825244594,0.07762810819344114,0.024955638951171467,0.016692944572009243,0.016747641252944284,0.019402722948508866,0.018140832643417353,0.016978066291232632,0.017922607385725885,0.019740576161983096,0.019561765427555854,0.035107582044703545,0.05973235929486918,0.05395729149952587,0.017123499463895298

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

YMYQEDCYNANIPI

C42H81NO8

C42H82NO8

[M+H]+

Orbitrap

train

MassSpecGymID0413668

90.139732,93.114876,93.861931,96.227196,110.645737,123.133598,124.999054,126.755463,175.45993,179.486877,184.072464,184.481232,214.99501,216.174805,216.660873,218.991302,243.491501,252.268051,252.33667,264.267578,282.278412,284.294312,431.468628,548.540039,567.789734,577.36261,614.688965,729.418518

0.01061118591555243,0.011546457045631809,0.011625061209497788,0.011869459925750345,0.012025948373490908,0.013996935567060331,0.016498149444726884,0.013874604143571554,0.012452139751841668,0.013400240712592888,1.0,0.012988065610676483,0.015532601753067766,0.017115613485936286,0.011879568407037246,0.01285174208148122,0.01472119882218694,0.0574248475479515,0.0136658263406795,0.7695577469907655,0.10111308147131258,0.02422836727273589,0.01331974869423492,0.030143902307927947,0.018340325254836466,0.013612589875733506,0.014397067323004232,0.021193506407372324

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

YMYQEDCYNANIPI

C42H81NO8

C42H82NO8

[M+H]+

Orbitrap

train

MassSpecGymID0413670

90.408737,98.826294,106.885201,121.744705,143.247345,149.303207,159.60733,173.087723,208.793167,236.349808,252.268646,262.671204,264.268158,282.278625,284.295471,284.794586,292.901794,305.4664,326.956024,503.735718,511.126648,530.536804,548.542725,574.378479,578.748291

0.01418497912118923,0.010428052880235022,0.012656688804437705,0.011817383563125686,0.013414229524842404,0.012006512518153734,0.014523716352090967,0.012474985323019617,0.015323211980658343,0.013366268902612976,0.09197929819360004,0.014194295477307228,1.0,0.1441582317364211,0.02322425509586127,0.013939196788896248,0.013820930095396417,0.013042823244957508,0.013817251067291144,0.01290938135113609,0.012486008771321553,0.014927239504580898,0.0382395473421967,0.01234432116543868,0.011712645971640468

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

YMYQEDCYNANIPI

C42H81NO8

C42H82NO8

[M+H]+

Orbitrap

train

MassSpecGymID0413672

94.802689,99.69709,103.414223,106.868553,111.117134,117.161072,119.085403,120.088486,125.855362,131.393616,139.520737,146.976868,184.0728,185.074554,191.771835,194.267502,252.267685,264.26767,266.282715,282.278259,283.235291,284.290833,294.38736,336.137665,407.372681,424.942596,518.530151,530.524902,548.538452,584.920105,611.752747,739.709473

0.008291564817993867,0.008730504780333324,0.009864113039712767,0.011303032884980331,0.010134293854150616,0.008666110466425007,0.03141608981535686,0.012266633476743834,0.008587275231386826,0.009651285674283885,0.00957204142043074,0.009549876193713731,0.06510940402145689,0.012891008900973578,0.00957395132822653,0.01001332120232437,0.09565782132218474,1.0,0.0193195365326886,0.11252733925959477,0.009125831968498985,0.011140917217814041,0.00917851680470278,0.009366269444204005,0.00939185647498993,0.01110427162241704,0.012709874229623443,0.0339490164008577,0.07037805060299292,0.010241166183549713,0.009879651039986198,0.011188792475629913

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

YMYQEDCYNANIPI

C42H81NO8

C42H82NO8

[M+H]+

Orbitrap

train

MassSpecGymID0413674

156.754135,168.672394,181.674881,184.072815,185.075882,216.166946,222.104218,227.429657,234.219528,252.268005,264.267944,282.278595,284.293518,295.588745,341.016998,421.380463,436.688171,442.066772,461.35202,499.233002,530.524109,532.527283,548.538269,552.526367,728.57843

0.00949705721209688,0.007807801796470372,0.007992982217666018,0.30161722955022086,0.02733678996961874,0.00812051568741816,0.00842894957820344,0.009730587190450682,0.008423762720097335,0.0765981194644954,1.0,0.12870591579281285,0.023778421433443157,0.008717431221714898,0.00883521734108819,0.01060469996769825,0.008506411712604441,0.01044496012683227,0.011826078613961026,0.009242758194608807,0.034447802636372885,0.011110271420435986,0.05738442557245752,0.007841442466319019,0.022380709159510546

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

YMYQEDCYNANIPI

C42H81NO8

C42H82NO8

[M+H]+

Orbitrap

train

MassSpecGymID0413676

91.052185,91.44487,92.772545,95.085258,125.515625,129.730362,143.252655,152.692734,194.496811,220.595322,252.266602,264.267853,267.241943,282.279327,331.278931,337.271881,338.276367,339.290588,340.292938,387.295441,456.193787,501.037537,548.52948,560.606689,579.903076,586.520691,587.529968

0.055713449129891575,0.05297599813323337,0.056543841943460134,0.06949735755464231,0.05599988249593894,0.05584193148576657,0.05521121070304051,0.0615533275703315,0.05924494286661182,0.05026229203390855,0.07747490552825245,1.0,0.060910264875598044,0.06328255048384372,0.08871955943793942,0.14252223399668987,0.14447955414448344,0.055940925324494364,0.14773232081247045,0.06175129050062988,0.053324012032198734,0.07306765084500115,0.061226186677387495,0.059910443662249284,0.05515087233088471,0.08221803579267278,0.5252898447738781

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

YMYQEDCYNANIPI

C42H81NO8

C42H82NO8

[M+H]+

Orbitrap

train

MassSpecGymID0413678

103.588127,104.821251,119.084755,122.064796,123.970367,128.209503,184.072952,187.77211,191.986069,214.058945,252.268005,264.26828,266.282623,282.278351,284.293121,358.289612,394.629822,446.016022,518.533875,530.532654,532.535889,536.795166,548.5401,557.08905,657.937195,683.661743,687.540833

0.008858855169151754,0.008048058322177008,0.012348927152391803,0.007740436598700866,0.008464627390354655,0.007794115593717669,0.10899059294538853,0.00857129042560539,0.0096111604424951,0.007576678685965075,0.09837842896519297,1.0,0.011332274563508037,0.12658424981425503,0.0183022864776963,0.008440544048242765,0.007554925998505669,0.007267901502493692,0.013271814781044175,0.027888841725750426,0.011596638220420157,0.008028813454842519,0.07426007117817077,0.007665711479632236,0.006748125599180141,0.008772358145605919,0.008509285501706761

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

YMYQEDCYNANIPI

C42H81NO8

C42H82NO8

[M+H]+

Orbitrap

train

MassSpecGymID0413680

95.08564,119.086388,139.008057,184.073227,218.066437,252.268631,264.268372,266.284882,282.279083,284.295532,317.790344,319.593048,353.057159,447.831451,455.429596,475.250183,481.6716,501.648895

0.01170727390996007,0.009448651530185868,0.008004117340527335,0.12682293603073067,0.008528200806920705,0.13284758672123734,1.0,0.011777666236343704,0.14617103234317366,0.01794346482568938,0.008070367743656721,0.006701807208630543,0.009875303334532487,0.008462700372809996,0.007488402256519101,0.007133277988275048,0.007784966017542966,0.00845684545050805

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

YMYQEDCYNANIPI

C42H81NO8

C42H82NO8

[M+H]+

Orbitrap

train

MassSpecGymID0413682

91.747139,95.085556,97.10218,99.936058,101.275345,107.630661,110.994873,112.236717,122.185638,129.782028,143.935715,164.380768,184.07399,217.799011,244.465637,252.266846,264.26825,282.279358,295.485199,334.487305,337.27536,338.275848,339.286438,340.292053,341.294067,356.531342,361.265381,365.238464,515.170837,587.529846,639.05249,639.09375,690.031677

0.04724647188365888,0.09004764235643935,0.042998835390345304,0.04771797970337268,0.047955485799407525,0.05311287130736738,0.050255649520058614,0.06398004292011765,0.052038967241815656,0.0561765684361621,0.057101447513207663,0.053070736271623384,0.05891425501472842,0.05123837888035097,0.053335415228198534,0.11232124305041702,1.0,0.09907401685347943,0.057333485459695334,0.053574207383808053,0.09251804910302325,0.17574606422346303,0.18588273738940023,0.2683256360590949,0.14199217945682632,0.059280767093402506,0.069229500935977,0.0560066033873892,0.07326281884218219,0.15185217718175648,0.04611850890036467,0.045683045199308096,0.0541923303606709

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

YMYQEDCYNANIPI

C42H81NO8

C42H82NO8

[M+H]+

Orbitrap

train

MassSpecGymID0413684

100.10984,161.317978,164.96402,169.368057,184.072815,240.828293,250.286957,252.267944,264.267975,266.285217,282.278442,284.296082,357.473816,372.059357,508.771729,518.526001,520.679199,530.529968,532.544739,548.539978,586.224243,730.456238

0.008268297213663657,0.008999159724532338,0.008352105516905642,0.010102510208630539,0.08183358042184792,0.008445533454045208,0.009272917458220046,0.10149710613652116,1.0,0.015804795755585434,0.11974311720394269,0.023194530353786495,0.0094150845295219,0.00863801424414837,0.009088615483916184,0.022506569403602916,0.00906294583228483,0.030667271557597815,0.01670739024318564,0.06791226768135021,0.010013193256622146,0.007903313363047103

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

YMYQEDCYNANIPI

C42H81NO8

C42H82NO8

[M+H]+

Orbitrap

train

MassSpecGymID0413686

94.966606,97.585106,106.847717,117.088799,125.000145,137.976974,143.322205,179.695953,184.072952,185.077072,187.159134,188.650818,188.704117,252.267822,264.268158,265.260864,272.777679,282.278687,284.29306,378.207123,486.174286,518.532532,530.530151,532.542419,548.53949,696.482483

0.011113502122490663,0.008953916940176035,0.00880447752428141,0.007870181695324843,0.014909794824314104,0.008470618579357835,0.008837770233635503,0.00868495935014953,0.7410939844343911,0.06872936733694816,0.009992248079674122,0.011436769203209404,0.010395643691398624,0.10027852063069931,1.0,0.010388081436100344,0.009151710938754404,0.12379564657503546,0.01764627781603328,0.008277231027722844,0.009701453617431787,0.01462267525301103,0.02177755924587101,0.019818504421753147,0.07456049501103028,0.009837397811047508

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

YMYQEDCYNANIPI

C42H81NO8

C42H82NO8

[M+H]+

Orbitrap

train

MassSpecGymID0413688

95.085533,97.750244,99.429138,173.201401,191.382309,213.947845,252.267807,264.268311,274.292053,282.277649,287.19458,337.271118,340.293549,344.147888,348.975128,379.231873,530.529663,587.534058,603.561768

0.09357699171153783,0.048260950701725716,0.04768923322953067,0.044052238258428196,0.05698746622302445,0.05458716754904107,0.09814386187313831,1.0,0.052260915670658485,0.09587918645031021,0.04882253683875488,0.07846894183137328,0.06296432690555129,0.05372900873628336,0.04760467819245856,0.05055388905879471,0.0667314527704951,0.20810052452047123,0.04730888956132841

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

YMYQEDCYNANIPI

C42H81NO8

C42H82NO8

[M+H]+

Orbitrap

train

MassSpecGymID0413690

90.700096,109.100677,119.085274,119.579163,120.088722,132.131958,132.54155,136.073563,136.270737,166.962891,169.29895,171.318405,184.072754,200.032257,252.267838,264.268036,266.286713,267.267334,282.278229,284.294464,285.508575,453.527557,518.52356,530.526672,548.538757,556.930176,656.177429

0.009612666386734145,0.012155552180107873,0.042643005156397684,0.008306065241551029,0.010878619029365735,0.007794497656517716,0.007376889545282388,0.008908648682399281,0.008957866489460743,0.008390752878770676,0.007926902296691386,0.008971305851681996,0.061508507484638646,0.008787437408790134,0.07992106830378927,1.0,0.01196932311046183,0.01335776507158474,0.11106698269066974,0.018986875346962643,0.008415083447071797,0.008835828639637175,0.021169769925441926,0.021639445168661883,0.06540699890033767,0.008639875273042167,0.009637542716762903

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

YMYQEDCYNANIPI

C42H81NO8

C42H82NO8

[M+H]+

Orbitrap

train

MassSpecGymID0413692

95.352158,95.680473,103.609291,105.331406,114.65477,119.086365,120.07711,131.168579,147.740097,177.95372,184.072723,185.076767,218.878143,227.325714,252.267075,258.549438,264.267731,282.277832,284.294067,332.840515,362.153381,404.323242,428.460297,443.571808,480.860809,518.528625,530.525269,532.542419,548.538391,624.593506

0.00788701025422076,0.009048533898255558,0.011032430417231814,0.006994711079919825,0.008061435685625468,0.017057628782771582,0.00821365206280937,0.009139066207339532,0.010125100240796945,0.008132125183317723,0.1960548171571789,0.013847495322358539,0.009663616081218903,0.009315791936818038,0.10799942907516748,0.010048818472489182,1.0,0.1319311930096286,0.01723240715672127,0.008848344696848687,0.009771484265212219,0.009929702564593551,0.008798802059452429,0.00832896768839381,0.009149324155706677,0.01570514336942302,0.023392958168267818,0.019769473314425808,0.0431820202686733,0.009944846207965246

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

YMYQEDCYNANIPI

C42H81NO8

C42H82NO8

[M+H]+

Orbitrap

train

MassSpecGymID0413694

91.052155,95.08551,106.951744,108.088005,116.204025,131.087219,135.116608,157.725327,180.555527,188.178619,217.907516,233.305939,252.268661,254.159943,264.2677,266.930725,282.278503,302.334717,315.512787,331.28009,337.272675,338.275665,339.280243,340.291016,340.612244,341.294159,390.270752,393.763092,447.015259,548.526978,587.527832

0.03701885956189891,0.11847830120942879,0.02803764543082019,0.03909240869055304,0.033337031995788344,0.037291674857090326,0.06403508016742293,0.03120846017732638,0.0372115767191815,0.039116505897306114,0.04114997286438501,0.0337806165914304,0.08809614860474321,0.0311222061798888,1.0,0.03207012963067253,0.12161021871786062,0.04157099235583917,0.028023638990343176,0.06807915418864252,0.23190051108660756,0.328585627665006,0.17225525393396313,0.2512521409343277,0.03182979937036909,0.13129301076709585,0.05121811110158808,0.03730606983112097,0.031724559689411284,0.03887033941697655,0.10949292625690343

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

YMYQEDCYNANIPI

C42H81NO8

C42H82NO8

[M+H]+

Orbitrap

train

MassSpecGymID0413695

269.253632,379.126343,385.40451,484.508118,502.494232,522.365906,615.535522,671.543701,672.298462,673.187988,714.508179,794.702881,812.62146,813.398071

0.018950920488800635,0.005523233983693097,0.012208237052699609,0.010196492579262995,0.003546373643046037,0.009599049693124898,0.010782722487107424,1.0,0.027303238346158974,0.008216993252843655,0.061487626671056506,0.006827475625003759,0.005595445885027611,0.007485782787739929

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

KXAGMEXWNHUIQR

C47H74NO8P

C47H75NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413696

91.054153,93.069847,93.080292,93.083839,94.827988,95.049065,95.085464,97.064651,99.609833,105.069794,107.085457,109.101204,115.053871,117.069733,119.085365,121.065445,121.101013,123.080063,123.116554,129.054581,129.069794,131.085297,133.100952,134.109314,135.08197,135.116486,137.09668,141.06955,143.085205,145.100967,147.080719,147.116791,149.095016,149.132584,154.467773,155.084854,155.978073,155.984726,157.100967,157.947388,159.11676,161.095978,161.132233,163.111511,163.147385,169.100357,171.116409,173.132401,175.112305,175.147888,183.116013,184.073257,185.132416,186.754974,187.11026,187.148651,189.163437,194.188278,197.131699,199.148682,201.163818,203.178909,203.830215,213.163544,220.400299,227.178741,266.181061,269.22641,276.689484,330.278687,354.277954,355.275208,361.273315,385.27301,439.282715,469.206757,499.219482,555.289551,652.516296,671.502625,714.46051

0.5863475920986171,0.4848044630262009,0.015231563878705046,0.015036851799255322,0.015536652704867995,0.030770261502193016,0.3401118995316601,0.08583876838034285,0.01604275346541052,0.5098373878020775,0.29105587768214625,0.17005689501025192,0.023009244055886512,0.3562090545595166,0.6219064762729721,0.017393906324854005,0.2660769610467614,0.03975768970426147,0.07250880564567865,0.02168442659895679,0.162254061016332,0.4012434247109848,0.4132787334018067,0.018067637241754485,0.01972263693358481,0.1511072550238451,0.01862089174857113,0.03546850537971463,0.15234713289204194,0.28975355958768817,0.022768452375050905,0.20851667600814,0.025998986309573487,0.05160949637749243,0.015590644720427246,0.0369086097462894,0.014090131649098179,0.01351514040332182,0.14810574277936842,0.01264018942382051,0.17810821161784357,0.03582328293232807,0.14523726373567664,0.026189110438759905,0.026869161361256194,0.07839368460223674,0.16368556681215912,0.10400730970793041,0.017430460908825912,0.0940295200728946,0.035195792734147,0.07967155507720389,0.11946395047583956,0.01697928668397448,0.022728609558770294,0.047125284448384624,0.05359569740875544,0.01652577619179127,0.04469080939226786,0.04790237118880546,0.10698798345798077,0.3414672590406102,0.014890583768657647,0.05297313754617069,0.01885738548594407,0.035405187081584535,0.014459592767613503,0.08810914052658689,0.02050721182426662,0.095023106624349,0.13350860270981765,0.017013711764926165,0.11138913154817522,0.8678141886152484,0.0337240224979521,0.015363976742558213,0.05323056239183862,0.027926447577593026,0.029027456955319456,1.0,0.20179339260458554

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

KXAGMEXWNHUIQR

C47H74NO8P

C47H75NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413698

91.053963,93.069611,95.049095,95.085228,97.064774,98.923538,104.568794,105.069572,107.085182,109.100929,117.06945,119.085152,121.100662,123.08007,123.116562,129.069519,131.085068,133.100815,135.079605,135.116531,143.085022,145.10051,147.116272,147.777359,157.100555,159.11644,161.094376,161.13208,169.099777,171.115952,173.13179,175.146729,177.164017,184.072571,185.131897,187.147461,189.075439,189.163406,199.147156,201.162827,203.178268,215.179489,237.166428,248.276398,254.025116,263.08429,269.225555,287.239563,307.019714,330.276825,335.497833,354.277069,361.270935,373.158417,374.159912,385.272247,462.939453,490.16861,544.645996,577.344055,627.533813,651.503784,658.333923,671.500671,714.457336,731.447205

0.5212626026093401,0.32056983256160637,0.03207724743122752,0.3379900164440033,0.055337286830338187,0.022801884509199958,0.023687521486787357,0.3854691154719201,0.23831048540099084,0.09999873856695282,0.24949389799706556,0.5094809446911484,0.2433604293747173,0.035912177112326686,0.030333529126702282,0.14630260616107307,0.3262047842839234,0.35923505903983416,0.031668424161292744,0.12113654045730204,0.12549912999261675,0.2213070241942152,0.18888521894271362,0.025201237568404995,0.14692098822624702,0.17441698518641297,0.027032264887597298,0.11160361191586672,0.052095726671212386,0.160058942964189,0.11965842498591599,0.06321534137759618,0.03207745776086258,0.23709624782140268,0.08952919709453049,0.05231119512484989,0.02193352179984263,0.02931992490938197,0.06187860461807104,0.09286356037460583,0.3335620081784834,0.03283102849673183,0.030889583651888177,0.02381284432717906,0.02614937879351681,0.036668288316948565,0.06465421185861114,0.046045953751913254,0.021970665366486435,0.07023096611144695,0.022785854513978854,0.1012698331582752,0.053115671675867324,0.0657880630008529,0.06733596654312661,0.7515083519098507,0.021472284827473178,0.02494189253134418,0.02447429519421555,0.029322340763571375,0.03668168693607174,0.06892700110942523,0.023202244713859715,0.729861798467512,1.0,0.02769961238978885

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

KXAGMEXWNHUIQR

C47H74NO8P

C47H75NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413699

173.657562,203.147217,207.955429,221.094818,228.001831,269.321167,287.276001,330.250305,361.464233,367.327606,385.411346,386.185486,423.438049,425.365326,428.18866,452.38559,476.312653,483.259949,484.260956,487.233734,502.228912,506.396667,508.372375,509.203918,526.297607,579.536438,589.617554,618.59729,627.610718,630.751038,653.582275,671.531738,672.550415,714.509277,715.207764,725.428589,726.798584,728.681274,729.591309,734.706177,738.549438,750.163086,753.587891,769.5177,770.78064,776.627197,780.918823,794.70752,795.487061,797.167114,811.905762,812.563354,813.670898,814.429443

0.0013740797028833874,0.0029614169973382763,0.0010269884174343958,0.0022050801807650317,0.0006569063148736992,0.006765307283392193,0.0038240182871233795,0.0013291133895582995,0.00454254333421717,0.0009794435989397326,0.007383363121873635,0.0021389676550658742,0.0014585534031198335,0.0036424802768771896,0.003445015865241706,0.004554366672504157,0.0005700233296173982,0.0022009947228646383,0.008593423304234217,0.004074597855691295,0.0009505093182154091,0.001551549334902681,0.002336060255347546,0.0036940911087208804,0.0027920289412891714,0.002285497589928133,0.00135944557586727,0.0015131586958737945,0.013720459604690921,0.0017612496246311473,0.0029819470276454293,1.0,0.03097482662948305,0.022084175752426934,0.001639016970520982,0.00872269436041024,0.0022339931775885364,0.0012054455173460023,0.0027217836601322455,0.0018627557008068446,0.0007881530951269687,0.003577970087316223,0.004410580784262288,0.02771276297145306,0.002586860808614087,0.004049737734006436,0.0014975428817779325,0.0033251956493218875,0.004162151152441286,0.0017582057640498409,0.013878511750058211,0.059888584155368886,0.015677131174771562,0.0030058294037136586

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

KXAGMEXWNHUIQR

C47H74NO8P

C47H75NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413700

91.054008,92.389244,93.069641,95.049072,95.085281,95.810524,97.064545,97.100777,105.06958,107.049049,107.085197,109.100838,111.079689,115.054771,117.069443,119.085167,121.063416,121.100792,123.079796,123.116226,129.053452,129.069305,131.085022,133.100708,135.079895,135.116272,137.095917,138.663864,141.069565,143.084976,145.10054,147.079941,147.116318,149.095184,149.132172,154.460205,155.084808,157.100662,158.07724,158.080673,159.116119,161.095505,161.132065,163.147751,167.085175,169.100479,171.115997,173.131729,175.112167,175.14743,177.163651,181.100967,183.116272,184.072693,185.131805,187.146896,189.127594,189.163391,191.179672,195.114807,197.131714,199.147217,201.162796,203.178635,207.99707,211.147034,211.680359,213.163223,215.177795,223.146942,223.88913,225.16214,227.180313,238.689774,241.193588,265.256622,269.225586,286.614227,287.238251,330.278046,354.278076,361.272125,383.437561,385.272552,387.917328,438.911469,439.282745,446.021088,605.555115,627.52832,643.731323,671.501038,714.540344,792.71814,812.50885

0.585420177212054,0.01206506139399221,0.442571773693448,0.04465482536887436,0.4082116721621356,0.01117132153164338,0.06871967959046957,0.02776836095382015,0.48303155487680066,0.018086606111639786,0.31772512083219107,0.18802166733649162,0.01588740677237721,0.017067235958613307,0.35737209995246894,0.647172264478645,0.020974934159195692,0.3185891848298049,0.05802225307547684,0.06554586438225002,0.01988709558854728,0.18672500158646993,0.5014698480192434,0.4391783863179036,0.050026212120986735,0.1298615342679176,0.02631506920748565,0.013506008100651272,0.03937235044429908,0.18048451322118478,0.3085318053608122,0.03017428790899835,0.26399742247304614,0.03284225511304082,0.06886013432001421,0.011438503308631293,0.03478811574576232,0.16343943686920082,0.010643829574328337,0.010328234630805944,0.2069092953069399,0.03985608323168023,0.1380165872983759,0.025151497923857475,0.014475857737349211,0.06386486098731203,0.17703341389175087,0.1056071877921029,0.02930175907280388,0.11065087126476002,0.021824658853423426,0.025858195169812786,0.06169326304471564,0.12137274737213662,0.11938907139340146,0.059023362108553565,0.028276325672072306,0.037166520247557684,0.018834018419035772,0.02167349759870901,0.03131864558286984,0.05329459646446588,0.11291938974271397,0.3314935886151897,0.08676987506733086,0.03380374773305471,0.014918331687829951,0.04640904638918333,0.029692985591105964,0.0192500118161449,0.013933213209500608,0.01434344450357019,0.013483704227063202,0.015944429927203404,0.017291526311246763,0.013090979677989723,0.10237480612569996,0.013937161760850324,0.02824743116929198,0.1286067016482666,0.183945526238053,0.0975337536674256,0.014042473866341826,0.8185233910257558,0.012301103072278736,0.012374756525105383,0.028117863929152904,0.011770980512901957,0.019368268350170876,0.06442704536497165,0.014187242732824725,1.0,0.04472691925047869,0.014517374337941586,0.05656703327185941

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

KXAGMEXWNHUIQR

C47H74NO8P

C47H75NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413702

91.710823,92.008598,110.165871,113.541412,118.504135,133.056442,142.502914,157.133514,176.340088,176.348145,176.73204,178.820938,184.073074,185.077499,207.996994,208.298401,234.143021,235.425659,308.085938,319.845032,367.870483,398.670197,427.279633,554.210632

0.018545548487717237,0.02395437871488467,0.018820823596275155,0.017379123013739506,0.015802853612656657,0.014233250185435435,0.01739219193234325,0.06276295205799975,0.015522360036449512,0.015798329474198545,0.01809796373621252,0.014928969351018612,1.0,0.03762293659075193,0.027061079005604647,0.018011730607642423,0.01727137658495458,0.017632455778157835,0.017025017758442028,0.01964564926088496,0.018669866691092815,0.01611926504661378,0.020149491973995817,0.020101863586054175

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

KXAGMEXWNHUIQR

C47H74NO8P

C47H75NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413704

91.054169,93.069702,95.085449,96.131966,97.064674,100.756752,105.069748,106.89846,107.085358,109.101028,111.500885,112.395103,114.796326,115.065491,117.069801,119.085258,121.101028,122.47142,123.079475,129.069839,131.085297,133.100754,135.116394,137.266068,137.2733,143.085098,145.1008,147.116333,149.132294,157.10025,159.116547,160.45282,161.096069,161.131561,169.100571,171.115829,173.131042,175.147461,184.072601,185.077042,185.13237,187.147141,189.165268,201.16272,203.178818,207.99762,211.427155,215.182205,269.225769,330.277618,349.283936,354.280884,361.272858,363.549866,385.272705,390.553101,449.832275,577.38916,627.533508,652.503479,671.500488,685.7677,714.454895,738.770569

0.43576067893350273,0.32101637430007995,0.24294352464285052,0.019276300265182837,0.060360703246736674,0.021098573354137288,0.2961192578270987,0.024709216430404444,0.21564988423708367,0.08123295858417273,0.024896624671828706,0.024117887075808492,0.024318208807355874,0.027206941978232962,0.20338445725079923,0.41012805517510925,0.20695564846130843,0.022511298845932552,0.03725374769071479,0.08999670680295095,0.2716589958317908,0.30126464374505796,0.08110296351807898,0.020810594774888592,0.01986831350967777,0.10549729935154072,0.15124647973426672,0.1632325120275271,0.04552309560058541,0.08199947115172594,0.11705202135948677,0.024903607468747903,0.03012728180468116,0.11299774688759168,0.04405623908034685,0.09840410079312,0.0596828515147299,0.06619831360176645,1.0,0.032395681644242884,0.07312641319420933,0.03743123634336326,0.04061370723338024,0.0670438396230068,0.26143546764818787,0.06135000241091987,0.02966262879523467,0.031598006031454136,0.0663809370121967,0.08151785167703776,0.025032285119318997,0.0560138094873688,0.059579095186811704,0.02638477044104518,0.5145922738178634,0.024798231839442613,0.026240457530973295,0.026143334073186537,0.0522313866090159,0.03531061458093964,0.6094243599595625,0.029772290709165972,0.1933352316548042,0.027801265234176253

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

KXAGMEXWNHUIQR

C47H74NO8P

C47H75NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413705

183.189484,184.038376,189.163849,201.228607,203.352509,225.142365,227.161713,235.285126,237.050629,240.969452,247.272308,262.438599,265.198975,269.206329,293.252045,311.196838,330.273376,331.305511,333.683411,343.634399,348.326721,349.460327,354.210022,356.116455,361.320496,363.386536,367.389191,368.447327,372.359192,374.164978,380.644897,385.310608,386.208008,403.563416,412.059753,427.840759,452.396149,484.365723,486.303833,488.137085,491.297699,492.264282,493.451508,500.13681,502.4133,508.365845,515.662476,524.548462,526.413574,528.530396,530.566406,532.293274,542.343872,545.525391,548.403809,552.334473,557.44458,566.785095,577.637573,594.271484,603.567749,605.556152,609.492615,613.533813,627.646606,628.480957,632.630127,633.865906,639.642212,640.538818,642.502502,643.432495,645.687012,649.731995,671.560791,672.608521,673.77478,674.585327,675.791626,676.720825,689.786255,714.590576,715.480957,720.737305,725.698608,735.181396,749.447754,753.683472,754.767578,756.603516,767.392456,768.854492,769.733154,776.322144,783.654297,794.559204,795.47168,797.482178,798.860229,812.53125,813.400635

0.00020274018869392244,0.009989188301048555,0.0003571394676613016,0.00027840590036327093,0.00020830456655821034,0.0007468294192485378,0.0003594276885786123,0.0005718001117725179,0.00022332401968246603,0.0005158838399446908,0.00015645723412045578,0.0007572569110587641,0.00020017545293254816,0.0028035468809525206,0.0005242741036142057,0.001115733580376002,0.001350819870217215,0.00038574181664982843,0.0002843360429681493,0.0003585270431756474,0.0008252753348003385,0.0006805832581836358,0.0009112288114055127,0.0006005990580201187,0.002206757468428983,0.0006786027457484005,0.0015164846928828327,0.00072407775931749,0.00142649878117802,0.0009599780226517536,0.0003536376337662607,0.013029555631876827,0.0002720669406413724,0.0007120038105772841,0.000768348131302261,0.000678826927464229,0.0011423687193402145,0.00020920639783501708,0.0002380569553746015,0.0002991250756489741,0.0017165256264739372,0.0007184222754063141,0.0007376519415870107,0.0007837192218004703,0.0006913407838400026,0.001072776950368993,0.00040938473811257133,0.0014475212308088252,0.0034886422344249284,0.000697712948029471,0.00019910904299039542,0.00024194218743866272,0.0003622661549585085,0.00035027506270803044,0.0010585154253088308,0.0003644752316868137,0.0005824250257975344,0.0008525252204521827,0.0005202271802298044,0.0009877286048634898,0.0004700046496344838,0.0007724614120620696,0.00044375641490108485,0.0005601251838002044,0.04314804391464015,0.0010472490566548764,0.0010812764691111483,0.00015381268389355656,0.00019301581695240635,0.0017624302872918766,0.00038598950960356344,0.000532157019518368,0.0010878026937805835,0.0007972253452234194,1.0,0.015850781520062588,0.0043224219861419865,0.0001835425411069539,0.0008556760872497892,0.0002669172061438491,0.0011691175990737731,0.05030460018041486,0.004111025588679596,0.00031026883525963505,0.00209978535761319,0.00033987319608473285,0.00020272704096219838,0.0006037515231694251,0.0006820535870682449,0.0006419817240806938,0.001074718225847985,0.0006874573563665701,0.002174432145853789,0.000295335899366097,0.0013793438999724524,0.009158253409118192,0.0009912359556498815,0.00075823407110439,0.0008913041715938012,0.010175684802335648,0.000764579269553891

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

KXAGMEXWNHUIQR

C47H74NO8P

C47H75NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413706

91.054245,93.069946,95.049629,95.085518,95.437714,97.0653,100.195091,105.069855,107.085503,108.076019,109.101265,117.069817,118.882881,119.085403,121.101074,123.08033,123.116348,129.069702,131.085434,133.100983,135.080521,135.116409,136.290619,143.085312,145.100983,147.116592,147.626358,149.131622,152.111664,155.085464,157.100632,159.116241,161.132141,163.146713,169.100296,171.116898,171.917419,173.13179,175.148209,183.116241,184.07283,185.076782,185.132919,187.148026,189.164627,197.59227,199.14888,201.162888,203.178864,207.99707,221.611145,223.453949,264.064301,265.253235,265.91925,269.226593,280.561096,330.279877,334.568787,347.203949,354.278534,361.274353,385.273224,464.608124,498.128235,589.3078,595.300232,627.538025,671.501526,714.458496,740.886108

0.4003660173011342,0.2580785053391762,0.0288991025982121,0.2076148145693268,0.013441674530358525,0.019997174100185373,0.018524254457956607,0.29496642049716904,0.20216275812193005,0.017269423274320884,0.09971277088767552,0.21327958983664105,0.016416134434319964,0.320540884922945,0.16138346906574472,0.04251952520720084,0.024589055511814097,0.08118974702565133,0.2410797086213471,0.2669531841289086,0.021490614593763207,0.07567532740174372,0.01610295727003584,0.06317639588172959,0.15491487976404322,0.12552380996589763,0.015744780256966788,0.027614677357837316,0.01893593397852221,0.029073539765080217,0.10384414082687937,0.11389622436604373,0.0719776915010683,0.02185366145831046,0.028800273613414785,0.07482983130425142,0.016774029355217268,0.042084463590122016,0.044529013134511145,0.019758643459654158,1.0,0.03771928463665818,0.036044667630012156,0.04525655781986607,0.02002096957651017,0.017774816634403102,0.03335739062546987,0.07270127425732649,0.20374009674795962,0.03328767301973646,0.015511859390263687,0.015573587450995012,0.01465225619083652,0.016151663350837692,0.01954172532676725,0.03232284797862983,0.015613697845432137,0.08958350491844747,0.01775522580165257,0.01674421614183518,0.06124448923409735,0.048531778877589804,0.4868666852717101,0.01688261902148056,0.017246215540174102,0.016574082148754315,0.017993219856617226,0.06766032910520946,0.47074086658489045,0.1953571856903648,0.019073191465935942

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

KXAGMEXWNHUIQR

C47H74NO8P

C47H75NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413707

180.129883,184.115051,184.981064,189.207458,193.126755,203.175522,207.541962,217.357208,221.082642,227.152527,229.078964,255.085052,265.340912,267.165405,269.22406,289.126282,293.18042,299.301392,311.198364,313.29126,330.161438,347.434692,348.554718,349.518463,354.289703,361.300629,381.492371,383.264709,385.31601,386.341736,387.457764,388.343628,392.095795,403.141663,428.325989,466.49881,484.391541,490.53598,495.520721,497.429749,502.305573,503.454773,508.429901,510.649292,526.369507,533.513428,556.565796,567.654419,578.742493,579.63385,599.600098,603.65979,605.854919,611.998169,612.754333,625.449341,626.574585,627.666077,629.811218,632.656372,638.516602,650.789185,671.543823,672.672607,673.515747,689.709106,714.553101,716.432861,725.626343,753.689331,767.464233,769.487549,780.656616,794.689575,811.835693,812.764282

0.0001719552154245005,0.005987412057334839,0.002319866021189218,0.0005257385896950209,0.00025412221015953405,0.001032610017856088,0.0011727149357355158,0.0002714155744067181,0.00026199495892312877,0.0005019526246458768,0.00026052942083050587,0.0003696342908017548,0.00043868152531608865,0.0003199343943765386,0.0009491746753697976,0.0005901370231817816,0.0005203558761679784,0.0004335678552514339,0.0016610262748639145,0.0007398795913312931,0.0016770438404715225,0.00017022557653797906,0.00021395188923818318,0.0004630148724576148,0.0021280278889706547,0.0016331821207860669,0.00021837166766389653,0.00040663661942065175,0.011939540359261579,0.0006115336875290295,0.0008510317957390424,0.0008854695433526066,0.0003168808211610502,0.0006150972777385452,0.0002491841154830018,0.00038268776762487967,0.00044126196712328963,0.0026526632307961916,0.00015118914705106415,0.0005941836670221486,0.002213801666936106,0.0005635000236684476,0.004683927392186911,0.0008010333842684322,0.0016329424751355137,0.00043033560825862083,0.0004380564252945524,0.0009460863559325422,0.0009558997660186771,0.0003686064001839374,0.008790419423298376,0.0004176423560658331,0.000766314420949186,0.0003423840315399071,0.0007550764895417711,0.0009691028876631493,0.0002903645850554291,0.024179138577311972,0.0006900770054353767,0.002069264134447127,0.00047143898695685145,0.00037325409464393836,1.0,0.009581180614565239,0.0009576911882613131,0.0006326295868101532,0.028349136890247904,0.0001345098540352801,0.0015944605919014129,0.0006802406525149115,0.0004893405576273028,0.0016927070831425116,0.0005540631047559611,0.003224586520595404,0.002373788874554639,0.0020916696564499504

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

KXAGMEXWNHUIQR

C47H74NO8P

C47H75NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413708

91.054131,93.069801,93.1213,93.124214,95.049088,95.085396,96.235779,97.064674,97.100533,99.942627,105.069763,107.085388,109.018867,109.064629,109.101028,115.867828,117.069702,119.085335,121.101006,123.080391,123.116631,124.999596,128.060455,129.052841,129.069778,130.33255,131.085266,133.100891,135.080048,135.116409,136.607468,143.085281,144.881866,145.100769,147.079132,147.116486,149.096512,149.132767,155.085861,156.321503,157.100601,159.116455,161.095566,161.132416,163.110977,163.149139,169.100998,171.116516,173.13179,175.14772,183.115448,184.072662,185.076721,185.131943,187.147476,189.165192,195.115997,197.132782,199.148026,201.162582,203.178802,207.996109,213.16301,223.146667,225.801437,227.177704,243.236526,269.224518,287.240967,299.691803,311.70401,330.278137,354.278748,361.271942,385.272736,398.523926,439.284088,455.714722,651.508118,671.501099,714.45636,724.712769,742.629944

0.5096076179474102,0.3594885239056985,0.010498581256387376,0.010554202288261526,0.035643170835865136,0.3049058936481713,0.013409830904177935,0.050679608013232846,0.020687193952011657,0.012008331080807415,0.386683145869066,0.21392585261761513,0.013533064983191364,0.019785344139321787,0.11386375845710513,0.013403202066097582,0.2726116238086595,0.49522989849259813,0.22499922169042225,0.028669270506337004,0.0454724804526401,0.01874084258898213,0.016387866653513466,0.021666258179384834,0.12349355085759722,0.01311121312372449,0.32741005539286744,0.3276343756444642,0.022397778761557796,0.09595291084966277,0.012765814230544457,0.14130525715349723,0.014871954064435925,0.2065182057317578,0.015926131347722108,0.15670986561437736,0.024486413976648892,0.027853475896909823,0.03926148035480723,0.01677513987598379,0.12187523879017656,0.13275104704220403,0.018849969093240247,0.09015347224800876,0.025755647889272544,0.020103813888591587,0.05447525670172423,0.12474276476921288,0.07208861325440231,0.041009421809932216,0.02597470042729938,1.0,0.043978898002904214,0.06697070365822028,0.04437013525489681,0.02513548257087211,0.016788627429920277,0.025229649804954526,0.03338615043982837,0.06927128056025146,0.2577803677322482,0.03833636825593,0.021931272883316793,0.021238302850511242,0.01325202879523628,0.015159091924971942,0.014468556764986571,0.046143912746273594,0.01633907964563148,0.013150565926822245,0.013450661567499836,0.11390517106013172,0.07082005506419672,0.05534789372085994,0.5026092577762923,0.01550430510751315,0.02478982360165075,0.01349978997228029,0.032543619468508665,0.5776459227424809,0.14450807482273106,0.012603249432001749,0.013996092438568046

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

KXAGMEXWNHUIQR

C47H74NO8P

C47H75NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413710

91.054329,93.069946,95.085556,97.064362,99.783508,105.069946,107.085464,109.101906,111.865891,112.172714,115.42205,117.06987,118.479652,119.085609,121.101234,123.117355,129.070084,131.085464,133.101151,135.116302,138.546951,140.974197,141.664383,143.084854,145.100708,147.047684,147.116989,157.101135,159.116608,161.132782,169.102295,171.116333,173.132462,184.07312,185.132584,187.147125,188.82634,199.149734,201.162292,203.179382,207.997559,223.149902,245.321793,269.226227,330.280487,354.277863,367.523773,385.273254,574.325806,580.795166,627.530518,637.832092,651.513428,652.499329,671.502258,714.464355

0.7168214286961024,0.5447200948561338,0.45396149323298723,0.07676649838421176,0.04358005239607225,0.5517114529216953,0.24143432113161228,0.17190536791273017,0.05293108116403854,0.051890507686763766,0.043430019497901984,0.39213607743789736,0.039231182067946256,0.6165729498999928,0.3015927390733938,0.08517495241258083,0.12256330748561846,0.46461109237541615,0.4500299086433068,0.12850172778404428,0.05817529047122537,0.04932402416308659,0.05864440633614843,0.21075922953354165,0.2506563175881964,0.04720915381497555,0.19931124117485158,0.16490142043406217,0.1897746486138193,0.19177922383142534,0.07437098542071686,0.21253345103386986,0.09071908606395485,1.0,0.14847826544970766,0.05982186623418862,0.04887690025022526,0.06342900176251784,0.11530214306836337,0.4414856410015948,0.06027530045620428,0.05499547383971531,0.0488670003140615,0.09198930702648363,0.13244239583091363,0.12508494364693662,0.0709244339209986,0.8934343546206239,0.057093657805987186,0.05172531386106762,0.10632208500323172,0.04933178379957711,0.10052663631148034,0.10923854138626993,0.9574036129081478,0.33532260188483126

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

KXAGMEXWNHUIQR

C47H74NO8P

C47H75NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413711

183.972733,211.118042,229.072601,241.169891,247.011017,251.290024,269.387878,271.279968,283.344147,311.228027,330.34198,339.334106,347.266205,354.583557,361.406738,363.283325,367.373108,371.251587,374.243835,385.331329,386.515686,392.350769,407.44696,413.258911,415.285583,452.422882,457.22464,462.454071,465.296997,466.329773,484.310516,508.277924,525.929077,526.886963,530.27655,542.099243,603.467834,626.471008,627.734497,628.659912,632.625244,640.58728,663.425415,671.525879,672.152344,672.90979,673.578247,674.396729,713.630859,714.502441,715.450073,752.475586,767.330688,769.494263,794.773804,795.520264,811.722656,812.672241

0.0010970988801320299,0.000542455579108275,0.00028803991503703635,0.000860732480283841,0.0004232145253930724,0.0005753919772966171,0.0003291924650866358,0.0006612550413196316,0.00022721478222731024,0.0006420390022962677,0.0016655337303047176,0.0006467855352348946,0.00028011037545295223,0.0010679966449824666,0.0030273413682850915,0.0006259354474448048,0.0003423497291675585,0.00020184903665752764,0.0009033887977582223,0.010411248374209089,0.0005285554927686153,0.0009466682195014459,0.0003028764016508747,0.0002260018490829694,0.0007988690183621504,0.0006210438311211565,0.0004038028056965131,0.00035772167593497214,0.000278170356607509,0.000945275375617064,0.0007341492126960598,0.003970301150331236,0.0012081142699628027,0.001019461563432245,0.0003012978897492685,0.0009284852529456618,0.0007361318520804201,0.0005377834735790335,0.012163995859139564,0.001171976091399057,0.0009330518083932077,0.0004391275560891651,0.00022386771821376612,1.0,0.0370695446080037,0.003271903777868276,0.0009695391616461858,0.0022920048548439767,0.0008024950182832897,0.032640533265849314,0.0008403829251657473,0.0007830696146235699,0.00048253357117938346,0.00145185752747323,0.0016034073694127452,0.00016409476535676456,0.0007861719025741402,0.0020492559541980407

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

KXAGMEXWNHUIQR

C47H74NO8P

C47H75NO8P

[M+H]+

Orbitrap

train