Datasets:

roman-bushuiev

/

MassSpecGym

like 8

MassSpecGymID0413424

91.285385,93.070122,93.882179,94.242928,95.085579,97.06469,97.101326,107.085701,107.566963,107.896477,109.101379,111.116936,114.090553,117.673096,118.048866,121.101471,123.116661,125.09581,135.116852,137.132141,146.43103,149.132629,153.95517,154.887589,160.413055,167.102066,171.722122,174.258591,174.840378,175.134628,184.072754,191.52272,211.205597,247.241669,252.268692,262.242706,263.989288,264.012482,264.027435,264.043365,264.065552,264.081207,264.105347,264.117462,264.144684,264.170349,264.182526,264.195557,264.209229,264.268585,264.318512,264.337769,264.349792,264.37793,264.403564,264.455719,264.479828,264.496307,264.520294,264.535522,265.254395,265.271942,279.085052,280.302673,282.279144,282.356293,290.285034,291.264618,292.299744,308.295532,310.30957,310.834625,313.274475,317.29007,326.307281,328.321136,358.494171,359.367737,377.377777,394.403717,540.199463,604.629211,624.449768,628.639893,640.639221,658.649658,675.642456,676.660278

0.0015730867178685925,0.003536153036248592,0.0012744085943743576,0.001352912722623574,0.012549421126514741,0.0018425131688937027,0.007719533036432312,0.004595079594582293,0.0010785177518474196,0.0010845822205112232,0.006963932419804573,0.0038959851254424917,0.0015336934164299893,0.001331863288018766,0.00112632623983178,0.011176886627846288,0.004544133620491682,0.002033519387781518,0.010020568535116632,0.0027319263787901438,0.0014588792840972006,0.004342108380842786,0.0012668973035897856,0.0014147261342768696,0.001333876281961885,0.0010703068524678054,0.0014070067850763396,0.0011785276977254752,0.0011647555025925255,0.001360810771945442,0.0037279076928986767,0.0011925392469692628,0.004662928318695662,0.0019409995298464025,0.17586354188500694,0.0013450936774779725,0.001897661078547384,0.0015607562474895217,0.0018153186313603306,0.0016018270603040884,0.0020209207160698166,0.0026150984959260313,0.0030121596133884376,0.0027282910209013756,0.003576337895966616,0.003987456843156593,0.0040737133499404166,0.004670729526397496,0.0053746763030060605,1.0,0.0046741330726750565,0.005563594194813947,0.004888841187459342,0.004417235566994383,0.003821153563188059,0.0027630841090589327,0.0017714774146729679,0.002369262212928639,0.0018899446855524223,0.0018427619010238994,0.0064718618834035775,0.005007338631677663,0.0011980113471528984,0.0014474004163740385,0.3230368843012958,0.0018837681867186202,0.0034720993067948467,0.0015089193248160097,0.008839325073216194,0.012632639435615262,0.0042931339119368075,0.0013858562265288551,0.004544779507983843,0.0014400620135100264,0.004715351189705724,0.0024557344225085826,0.0012392353749245291,0.002533692666522475,0.0024529404725419446,0.011219004662286916,0.0014741510069888374,0.0013319154809136847,0.0012566828884967695,0.04921422683282658,0.016257876363800345,0.04002365173226131,0.010966600637504896,0.03837543925623872

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

WMGULQMTVQLWNC

C44H85NO3

C44H86NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413426

91.054039,93.069885,94.507584,95.085388,97.064621,97.101082,100.431602,107.085472,109.100906,111.071465,111.07933,111.116722,121.100891,123.116348,132.83783,135.116486,137.131927,139.112244,148.430557,149.131882,149.153732,184.073196,198.220337,252.26796,262.25058,263.234253,264.267761,280.263062,280.298706,282.278198,292.298645,298.272919,310.309265,312.329346,436.413849,480.767181,509.706146,628.636169,658.64624,675.588501,676.591553,676.772278

0.008396824662015714,0.03676291116280733,0.005229590413017625,0.07425753824963231,0.011007532494126157,0.03086564220570562,0.004162327746067177,0.026647258274755538,0.057019669889672164,0.004279645113188998,0.004241252804208274,0.018051449610122703,0.04887779973638429,0.020915491771591202,0.005527511535792991,0.0371871268575086,0.006962490744230474,0.004856122379317914,0.003999882968244713,0.017270243778010598,0.0054789086395270635,0.01994180081269776,0.00658467409472275,0.2845091373205576,0.01766343004284619,0.010580305427119368,1.0,0.06843665729375527,0.00890023628497525,0.1886991669107399,0.05950898915553535,0.020978227269032552,0.024248123848942905,0.004669488997991874,0.0058033344880859886,0.004575959938180364,0.005096609217405476,0.00745868456378736,0.047804176746637624,0.030469066874746726,0.01738059528892793,0.010046570184837619

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

WMGULQMTVQLWNC

C44H85NO3

C44H86NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413428

93.070183,95.08567,97.065025,97.10141,107.085518,109.101311,111.116974,114.787758,121.101303,123.116745,133.276474,135.117004,137.132523,149.132721,157.20256,163.149048,165.164963,172.799759,184.072556,198.223602,199.089264,211.20607,240.550797,247.241196,252.268616,262.253113,263.235596,264.268646,264.328552,264.35321,265.251556,269.375977,280.263489,280.299835,282.279022,282.618805,292.299866,298.274445,310.310303,313.271088,326.680695,394.405151,412.417755,436.413757,581.614868,628.638306,630.641418,640.639771,646.64856,658.650269,675.588379,676.590515,676.667175,677.587952

0.01825739424847281,0.045068539271804625,0.0035556426093376783,0.017478877537134486,0.011809010458537886,0.02261492764225046,0.01223177541672628,0.003852531410533817,0.03831431248810183,0.011250701045255612,0.003490388601055942,0.028628382946161747,0.004794439297306316,0.011731651863933665,0.0037144858549710783,0.004074889655662117,0.004235416815490119,0.0035094342362614597,0.009495214844082946,0.004946366482314363,0.003443665443110324,0.004705657807422634,0.00310829233330554,0.016161013870607335,0.258175898484192,0.011537893984328269,0.009861471215856938,1.0,0.003968558597965639,0.0048135257600466375,0.007031846644319728,0.0038161850363705977,0.0648595219025316,0.02046840168523017,0.22674527394892674,0.004029649301596276,0.10715101234855333,0.02285147888322633,0.024761445437108943,0.006362262663029897,0.0035244224742105442,0.01670611439721566,0.016267874247842505,0.007193704219797437,0.0032841374623489637,0.00402235042220132,0.003592794194144301,0.005597798066619168,0.01243345208188085,0.09402929252831847,0.07593008841872813,0.06572863568298465,0.052208336059041696,0.005592145067082827

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

WMGULQMTVQLWNC

C44H85NO3

C44H86NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413430

90.148888,91.054131,93.069733,95.085327,95.241867,95.282845,97.064545,97.100952,99.537048,105.330841,105.427879,107.085266,109.10099,111.079437,111.116753,114.982079,121.100914,123.116753,135.116486,137.132553,139.057892,145.990768,149.132401,151.146561,163.147736,184.07254,193.572021,198.221802,236.901093,247.241837,252.267853,262.252258,263.236633,264.143799,264.167572,264.182495,264.19812,264.214233,264.267731,264.316864,264.337524,264.375671,264.38736,265.252747,275.265839,280.262726,280.298737,282.278259,292.298767,294.27713,298.272766,308.294739,310.309113,366.371185,394.404968,396.419678,406.400055,412.414429,420.411194,436.407898,460.237152,520.670044,579.981873,628.637817,658.647827,675.586182,676.593506,676.662964

0.003083009091552602,0.006396280882142228,0.02499096582206688,0.04086463520787908,0.002844884531045805,0.002672179685495098,0.0031230610777925635,0.023715726822439328,0.0029910080508296724,0.0029265509111075115,0.003124439959090806,0.016424121762121102,0.02977091036238547,0.004105942411305251,0.011801303801848314,0.002993001038868947,0.03487216701245169,0.013584744228116433,0.03205767271008797,0.003949843998014111,0.0027357400011218756,0.003182143942686842,0.00947513175859252,0.005252898659373907,0.004030001191634096,0.007796967296474059,0.0027869618710430893,0.006011022398279469,0.0029980771248156873,0.0099381755381455,0.2966123211951333,0.012549760036954658,0.006698008912092241,0.003134205217400497,0.003071751167245052,0.003965253182647743,0.006011361985181083,0.0035802817486228853,1.0,0.004541694885049847,0.005224255265257673,0.0034274428337274366,0.0027430208081396135,0.008468834457401596,0.0034965418191303713,0.05602192277184045,0.050555936734983355,0.22979547542555537,0.1856617619255647,0.004276559980293052,0.01691180033958711,0.004180257706905487,0.04179629953981391,0.003267906435119513,0.009568363464071106,0.004644259717807571,0.0035566939067616073,0.008550365663976461,0.004466268968692181,0.008043829484395693,0.003265033496868165,0.003083738373948499,0.002785712074952169,0.006422676253154484,0.06947635959902494,0.06267729870042518,0.03058694752626302,0.03240400584725607

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

WMGULQMTVQLWNC

C44H85NO3

C44H86NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413432

91.054237,93.069923,95.085556,96.080719,97.101158,107.085548,108.179153,109.064293,109.101135,111.080452,111.116989,121.101181,123.116669,134.989761,135.116638,137.011261,137.132156,137.329269,149.132324,163.147354,184.072952,198.221451,202.006653,207.10881,210.680191,222.603439,234.463425,243.633713,246.456833,247.240692,252.268387,262.252014,263.235321,264.157593,264.186584,264.21109,264.268311,264.315887,264.335083,264.351959,265.253326,266.131439,268.264343,276.266022,280.26355,280.29953,282.278931,292.29953,293.288483,298.27475,310.309723,394.406525,396.416534,412.507812,436.415466,569.436523,628.636169,658.650452,675.588013,676.59314,676.664429,676.770752

0.0043366595231603645,0.032859132390710165,0.04880199308422545,0.0040159294019563,0.02512279685351636,0.02422278126620955,0.0029556924521797127,0.004550433975894384,0.03407014849041341,0.00480726064574569,0.015465703492362497,0.04568177074833764,0.01742468614434077,0.002771025823067754,0.033331804153700906,0.0029843685540911725,0.004028870814358817,0.00286369866583145,0.009640126843579384,0.005249150017688268,0.01101992964891606,0.004973229861400595,0.0027776155746884273,0.0027182151839692473,0.002964144893273276,0.002910556168698752,0.0029564529296052023,0.002513093855073378,0.0026257027460753453,0.006881720945387193,0.24002145124910715,0.019390859932807116,0.007608410699486477,0.002979191945867142,0.004346376802006322,0.005129021897849692,1.0,0.005381924250952575,0.0041058397708862385,0.005201434118752493,0.004835670045538839,0.0027089582381133715,0.004830523577221117,0.0032860612865792246,0.04849497278440368,0.060154776566763636,0.19343259700448628,0.2237415839908787,0.002797412993778687,0.014629881809926611,0.03993219661782301,0.0053180326825102466,0.007513692741501181,0.0029936545294357558,0.0042642499413019916,0.002808518121573602,0.008647883344862628,0.028200993704779437,0.02910070652302742,0.013960353253401893,0.0055657564517110295,0.0031135049583480737

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

WMGULQMTVQLWNC

C44H85NO3

C44H86NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413434

93.069946,95.085464,97.101173,100.002968,107.085556,109.101128,110.833679,111.116814,113.942245,121.101105,123.087547,123.116966,125.844505,135.116714,137.132538,145.513397,149.132172,163.149368,165.164322,170.643982,178.215546,184.072357,191.473053,198.220398,204.04274,211.2061,242.318161,247.241577,252.268127,253.241135,256.035767,258.088776,262.252899,263.238037,264.170135,264.186951,264.210785,264.268066,264.313385,264.325745,264.350677,264.375793,265.252167,280.263123,280.299316,282.278625,292.299377,298.273956,310.310303,313.273407,366.594086,377.378235,394.403809,396.418701,400.886353,412.413635,436.4133,457.645233,628.641968,646.650879,658.6474,675.587341,676.587036,676.667603

0.021687937874557982,0.05492838733084575,0.019747520029630976,0.00314186280071004,0.015280994379111082,0.027983061274165166,0.00312285284196194,0.009682313944536823,0.003134976802794228,0.044218362897867014,0.0030216130225280444,0.010184857335211177,0.004183569341169438,0.031117495034901847,0.007461793816144512,0.0030418535636945556,0.012705949708627326,0.0047587235148142904,0.003811237528876295,0.0030151140353232232,0.0034893494037463117,0.004935592388391067,0.0030917058638921914,0.00609946094594811,0.0030785055583316136,0.007241003543379885,0.00325519843565705,0.014489467842602022,0.2804201302310411,0.002939553777124289,0.0029292233721464555,0.0034572626838106574,0.007755401561448077,0.003981905665110509,0.0031920841918174785,0.004001847185310128,0.006360470393680207,1.0,0.00411717899223598,0.006100695367126552,0.004952582673232105,0.004699838159660726,0.007316869980408302,0.04281760085477102,0.018926655962367357,0.23924354542919327,0.07719778243862356,0.013237241321720598,0.027716440917083616,0.005017363358003386,0.0034256105316261944,0.004952566295640186,0.013910135673177065,0.0041023060936697595,0.004398665827599507,0.01651414647019167,0.007990992600969273,0.0030875672615010424,0.0065133240850869896,0.015247686011512895,0.09984139348581729,0.1113849464241884,0.051291194286900085,0.05194574268451481

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

WMGULQMTVQLWNC

C44H85NO3

C44H86NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413435

178.980255,180.990326,185.29129,189.039215,197.202316,199.150391,200.995895,207.930389,209.113693,211.213684,213.131073,221.196487,223.042709,224.334732,225.039032,227.125427,229.152954,230.998749,233.003464,235.195862,236.997803,239.13327,241.290833,241.945328,243.303024,245.507904,249.030502,251.11525,253.312439,255.19693,260.943604,264.011566,267.265747,269.27301,281.06311,282.955048,293.254303,293.907532,298.356812,307.334991,311.271271,321.416016,325.257965,329.185211,330.205688,335.44696,338.272888,347.233215,355.428894,367.325104,369.416992,381.148376,383.262695,385.268921,387.233826,388.336609,398.284607,410.336426,411.206055,416.522552,425.270569,426.449005,434.173706,439.378845,443.332001,444.267242,454.390961,461.088837,465.289429,467.474792,472.434204,477.419586,483.427917,496.250671,514.582581,519.662598,524.427002,533.33429,534.358398,535.385498,539.292358,546.376099,551.215942,552.404297,570.356689,571.928833,579.396118,585.361572,587.558899,594.336853,595.594116,596.346558,598.771973,603.648987,619.411377,620.533813,621.591309,623.518799,625.272034,626.503296,637.661804,657.410278,672.723145,674.758179,695.550537,696.267944,697.322754,713.57019,732.360229,736.648438,753.939575,754.876465,759.598022,764.430664,772.532837,775.276733,782.562256,783.644775,784.25293,793.570679,794.331177,794.974487,795.653076,800.563599,807.463135,819.834961,820.741333,821.615112,822.68689,824.564087,829.223999,834.87146,837.609619,844.018677,848.585815,862.472168,863.51001,879.671997,880.663818

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413436

91.054077,93.069687,95.049217,95.085403,105.069656,107.085289,108.527603,109.100761,109.776764,113.519516,115.054321,117.069542,119.085167,121.100716,129.069504,131.085236,133.100571,135.079575,135.116226,141.069626,143.084869,145.100739,147.080704,147.116333,149.095154,149.132156,155.08609,157.10083,159.116257,161.131866,162.074783,169.101334,171.116501,173.13237,173.294662,175.076065,175.147903,175.394196,176.778549,183.116455,185.131561,195.114182,196.176712,201.163467,209.131088,211.146927,213.163132,227.178268,229.706696,236.164368,283.018341,292.916168,295.253571,310.373749,311.235291,379.064301,385.272369,398.267456,465.235474,509.199493,511.607941,517.964722,695.502136,726.911682,773.76123,782.514832,793.473389,812.540466

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413437

184.016937,195.186783,197.277054,199.156067,201.139557,203.153488,204.961548,209.032745,211.107666,212.073807,213.103622,215.193024,217.06691,219.194534,221.09552,222.071472,223.160538,223.935669,225.095184,227.162109,229.25798,233.056885,235.347427,237.124481,242.176041,243.008484,249.029373,253.122528,254.269531,256.049835,257.419159,260.136993,265.243652,267.620667,269.266052,279.228882,283.171234,285.106262,289.477112,293.194153,293.984192,295.371307,303.236633,305.214264,309.229004,311.22113,317.505585,325.222717,327.187683,329.354431,331.256531,339.007446,347.348633,349.308655,355.304047,365.488708,367.311371,369.343994,370.296875,383.260742,385.229645,398.355164,399.515259,408.269958,410.33728,411.730835,413.832764,416.369598,417.279572,423.258698,426.385437,430.33844,432.365112,437.268188,439.210022,440.079956,442.439941,444.35965,454.343811,455.154327,459.407806,465.224426,467.299896,470.275391,472.46759,481.390533,485.357483,493.395477,506.276855,509.428345,511.357025,514.520264,534.329956,537.444458,538.571594,540.124939,543.399536,547.390869,552.390625,559.398987,560.488586,562.389893,569.131592,570.283936,571.121338,573.60083,594.528381,596.366211,601.579224,613.526978,614.135742,615.709961,620.556763,639.618408,646.537903,653.380859,660.57019,683.732544,695.495728,696.425537,697.110352,698.59668,704.316895,713.619141,720.619141,726.635132,730.46875,738.64978,747.296631,751.545654,753.466064,764.470093,765.341919,782.587402,783.510132,786.84668,793.444092,794.302246,795.317505,798.448364,800.586548,801.874756,807.551392,821.769165,824.295044,837.666138,844.689209,862.5802,863.662109,879.502441,880.624512,881.547974

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413438

90.436218,91.054016,93.069611,95.048615,95.085442,97.064163,98.983612,105.069672,107.08522,109.100845,117.069565,119.085075,121.100845,129.069397,131.085068,133.100769,135.080276,135.116028,141.069504,143.084732,145.100479,147.116486,157.100632,159.116241,161.132187,167.481461,169.100647,171.115921,173.020187,173.132187,183.116333,185.1315,187.147003,192.544983,197.131744,199.108765,199.146561,201.162888,209.131821,211.146286,213.16301,236.613358,311.237152,385.272308,398.267792,415.933197,421.028809,458.98819,695.499878,793.472717

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413439

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413440

91.054031,93.069725,95.085419,105.069588,107.085281,109.100822,115.053452,115.078773,117.06955,119.085327,121.100983,129.069366,130.333755,131.085175,133.100922,133.319473,135.079697,135.116302,141.069351,142.04985,143.085114,145.100861,147.079895,147.116165,149.132584,152.485413,155.085007,157.100815,159.116547,160.472198,161.131973,169.10112,171.116837,173.131912,175.148605,181.099716,183.115662,183.598251,185.132263,187.148117,197.13031,199.147659,201.16304,205.89502,213.16127,217.014618,222.372864,223.146988,236.392532,287.941528,293.223572,311.236725,322.855621,332.163452,385.272339,398.26767,441.56601,465.221436,477.069122,489.520416,509.202789,619.958923,695.501892,793.47168

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413441

181.118912,184.032898,193.17244,195.04155,199.299713,205.006454,215.034821,223.023041,225.118011,227.271851,230.060135,237.44754,239.289551,241.635941,267.234253,276.262146,291.174957,293.137939,304.316284,311.171387,313.323486,321.198425,339.302246,352.1633,353.245178,358.06311,367.182312,373.426331,380.093933,383.121704,385.27655,394.005981,398.208313,401.191956,410.354248,413.297729,416.369232,419.029907,435.17395,436.309662,439.395935,450.564148,454.381561,465.400208,472.40686,475.539185,478.460693,479.548859,486.206909,488.483246,489.372162,496.274597,504.390259,506.188538,507.221802,514.317261,518.263367,520.442749,524.292725,527.069458,534.256287,540.330322,552.251831,554.648438,562.525146,570.265808,572.60614,575.76001,587.469604,593.310425,596.364014,598.530212,599.518066,614.427673,615.501587,646.02417,646.954468,651.564087,663.699585,664.394531,669.469421,674.482544,679.92041,690.27002,692.616943,695.487915,696.485107,697.460693,698.162476,701.202759,704.83667,708.441772,710.599365,712.27124,718.433838,736.831177,738.203857,739.304932,757.547974,763.728027,764.387329,765.780762,778.501953,781.059692,782.500244,784.54895,793.471313,794.385132,795.144409,800.584229,801.536133,815.369141,820.498535,821.608521,822.530273,830.644165,836.678467,837.361938,838.362549,844.556152,845.588013,848.278442,852.567261,854.874512,862.526733,863.686157,879.55188,880.475586,881.446533

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413442

91.054085,93.069695,95.048973,95.085373,98.984283,101.20723,104.106476,105.069695,107.085228,109.064896,109.100853,117.069656,119.085251,121.100822,124.937599,124.999443,126.306305,127.395309,129.069534,131.085236,133.064651,133.100815,135.079514,135.116653,141.069763,142.947357,143.084915,145.100754,145.708252,147.079147,147.116501,149.130692,155.085022,157.100754,159.116592,161.131775,162.075302,169.100754,171.116608,173.132034,175.146927,176.059143,181.101608,183.115433,184.072815,185.131943,195.116058,199.147873,201.162537,209.128754,211.145554,223.147675,227.176834,269.225037,293.227386,311.237457,330.338959,367.258331,385.273102,398.266693,465.234894,472.306641,473.691406,509.202637,618.282654,691.511169,695.502014,793.473572,820.574585,880.592468

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413443

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413444

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413445

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413446

90.228745,90.903038,91.0541,93.069717,94.827682,95.048874,95.085236,97.053093,97.064217,98.088112,98.983589,101.937141,105.069656,107.085419,109.064804,109.100876,117.069695,119.085091,121.100929,124.999962,126.176094,128.481094,129.069458,131.085007,133.100647,135.079437,135.117157,138.330154,141.069305,143.085342,145.067123,145.100632,147.116547,155.08551,157.100632,157.913803,157.921494,159.116348,161.131516,166.221893,169.100571,169.798004,171.116165,173.132172,183.116623,184.07251,185.132202,193.442474,195.115265,197.13327,199.147461,201.162308,207.270721,209.130829,211.148285,229.15892,247.994888,283.02121,283.243927,311.233643,313.843536,385.273376,398.266296,500.99704,517.687805,544.465881,560.213806,695.50238,750.308655,793.464111,880.569275

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413447

184.038727,185.259155,187.248352,195.179962,198.141449,199.193832,209.165665,213.085724,215.40506,217.157455,223.478516,224.098419,225.269257,227.32106,229.159546,237.278564,242.094986,242.998016,249.212891,255.043304,257.123962,267.32605,269.265411,278.017822,283.232971,284.319031,293.288879,295.333496,296.343842,297.255737,309.359314,311.316345,321.113708,326.149597,328.360596,329.053894,341.315155,345.338989,349.303223,365.312988,367.342407,369.4104,371.174194,372.870087,383.342041,384.215637,385.353088,387.28009,388.470886,398.342072,399.186493,400.335388,404.43222,409.171509,410.377625,416.508942,422.26181,426.472351,427.386505,431.351898,435.533478,439.563599,454.341003,456.374054,459.081573,461.667389,472.39682,483.331451,496.462585,503.585541,505.387329,506.37088,513.534241,521.410889,524.55249,534.380127,537.689941,540.906494,552.30957,558.600281,561.605469,570.396484,575.599854,576.405396,595.384155,597.665283,598.454468,601.535278,614.098755,618.529785,619.554016,620.687134,623.290833,629.975098,641.762695,646.483887,654.505005,661.759155,664.538879,665.449341,678.413696,679.636475,695.570068,696.607544,697.480835,698.550171,700.420288,713.680786,730.489014,731.64917,735.598999,736.374634,737.680176,738.837646,739.955688,754.912476,757.635986,761.269653,764.668335,765.718994,769.796021,778.75647,782.674683,783.551514,793.567627,798.558228,800.706787,813.052734,820.454712,821.485596,822.671509,830.676392,836.670532,837.931885,838.535889,844.526123,848.698364,852.488525,858.696045,862.658081,879.616943,880.653198,881.477905

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413448

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413450

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413451

183.000351,184.055008,184.854156,187.129822,195.110001,197.13826,199.182343,203.126694,205.181549,207.260284,209.181793,211.096619,213.13562,215.192383,222.230026,223.179169,225.113068,231.21669,237.276428,241.470367,245.468445,247.252777,251.21048,253.197144,255.175125,267.23349,269.242249,271.135742,277.124084,281.098877,283.07132,284.004761,285.239197,290.192261,291.181091,293.196259,299.361816,305.329346,311.307678,325.283264,327.225403,329.368835,331.363586,349.197632,351.153381,367.293854,368.108734,369.329163,370.367706,374.315125,380.339111,381.232971,383.267609,385.303284,385.980835,398.403931,399.416504,409.273071,410.334106,414.440857,416.399597,425.623077,426.378906,439.196014,444.529266,445.202026,447.417786,454.344604,465.36319,467.619293,469.796387,471.411987,472.521057,478.237244,481.952515,483.328247,493.598297,496.320038,501.24765,506.828735,507.952118,509.491486,524.556152,534.269531,540.294861,547.404724,550.549683,552.32959,553.358398,559.338501,561.627563,570.28479,575.514526,592.700317,593.313965,594.33728,596.311279,597.544434,598.559082,604.515625,607.516052,608.429077,611.505127,614.477051,619.630493,620.513306,621.200439,621.842041,632.424561,637.419067,639.601196,646.532593,651.918335,659.697998,661.669067,664.772827,672.435303,674.447632,677.745361,679.645386,683.651001,685.768066,695.531616,696.421753,697.359863,700.465576,702.432251,712.535645,729.367432,736.637695,738.935303,739.563599,744.408325,754.585327,762.961304,764.697876,766.473389,782.634033,783.987671,793.505981,794.186768,795.896118,798.540649,800.80249,803.829468,821.655396,822.56604,824.169067,824.792847,827.367798,836.317505,837.932495,844.680054,846.610229,851.233276,852.71167,862.541016,863.214111,879.626221,880.599731,881.4646,882.21228,886.627441

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413452

91.054298,93.069969,95.050171,95.085587,97.065186,98.984344,99.586578,105.069977,107.085846,108.063156,109.101456,112.914322,117.070061,119.085495,119.366135,121.101242,122.425125,123.117134,128.957703,129.070007,131.085602,131.634918,133.10112,135.116043,135.573318,138.159775,141.07016,142.049286,143.085556,145.101013,145.31015,147.080261,147.11644,157.101379,159.116898,161.132385,162.077332,169.101257,171.116501,173.132614,183.11528,184.07309,185.131516,199.149414,201.16301,204.974457,213.162201,217.118591,230.539749,236.556015,283.018311,293.227356,385.2742,395.860321,398.269165,433.124329,465.245911,475.504272,516.496033,695.501587,696.491272,793.470093

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413453

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413454

90.503288,91.054222,93.069923,95.085388,98.9841,105.069862,106.372696,107.085464,109.100761,116.21962,117.069839,119.085396,121.101204,125.000076,128.007278,129.069565,131.085403,133.101135,135.116562,137.976273,143.085541,145.101166,147.116898,152.104996,157.100845,159.11676,161.132446,167.087845,169.101547,171.115967,173.132629,175.148315,178.994598,179.799118,183.116348,184.072845,185.130997,187.148056,189.128677,192.363083,200.867035,201.163681,209.130905,240.667679,242.615952,250.149963,260.057312,266.802032,282.276581,283.018585,296.988708,337.831451,358.863495,371.644012,385.273926,388.943939,397.508331,398.267303,490.946045,509.456482,594.603821,616.414062,695.500183,819.160583,880.564148

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413455

184.049057,185.17662,187.149689,197.273422,199.06987,201.223434,205.083099,208.939011,213.058121,216.98645,219.052521,223.198807,225.276001,226.038727,227.155151,230.185867,237.154114,243.255646,249.177429,250.483521,253.164246,265.202057,267.054443,269.225372,271.314636,272.035492,281.321594,283.033752,284.110992,288.138428,289.336731,291.213623,293.139435,295.380737,297.16629,309.20343,311.205994,313.179138,315.346069,325.210541,328.326538,331.260742,333.08313,341.246216,361.080139,365.25592,367.341553,369.429871,373.442139,379.292633,380.427063,383.34259,385.314301,395.410889,398.333893,400.328644,410.365936,416.34021,417.308838,426.273834,428.549896,432.165436,438.513611,443.298615,454.387024,460.310974,462.256836,463.340942,465.333221,472.489349,478.447815,483.162048,496.533569,501.449188,507.332397,510.163055,514.410522,524.547974,534.271118,537.584595,546.537109,547.371582,552.35437,570.434998,571.396729,573.304199,575.129272,587.849609,596.612427,597.393555,598.542114,599.380615,614.352783,619.55896,620.48645,621.712952,622.685303,625.266724,626.182373,634.522766,638.497864,639.681274,641.527466,645.823242,646.489746,647.183716,661.778809,662.566895,664.672546,674.446167,677.633301,679.525146,680.6875,692.512329,695.530396,696.887085,697.690308,698.531982,710.525146,713.74939,714.596924,718.493164,726.541504,738.631836,739.591064,744.494385,746.565552,747.566406,754.771606,765.605347,766.325073,774.744873,775.388428,782.582275,783.368652,787.783325,793.583374,795.658813,800.376953,821.488892,822.567993,823.547852,830.682251,836.675171,837.700439,844.724487,862.609497,863.710815,879.606445,880.726074,881.456909

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413456

91.054123,93.069878,95.048805,95.085495,95.486824,97.06385,97.473129,98.199127,98.98394,99.702705,103.054871,104.107063,105.069756,107.085495,109.100822,114.67009,117.069771,119.085365,121.101059,128.061905,129.069565,131.085251,133.100937,135.079361,135.116577,141.070724,143.085403,145.100845,146.142212,147.080154,147.116089,155.084351,156.630707,157.100403,159.116486,161.131836,167.085358,168.13942,169.100067,171.116501,173.131851,183.116806,184.072632,185.131882,194.937653,195.116089,197.130951,199.147552,201.163864,211.147461,213.163055,223.149582,283.018433,285.913483,290.275696,308.153107,340.914795,385.272644,398.266968,629.133484,695.502197,793.469116,799.225403,853.123718

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413457

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413458

91.054146,93.06958,93.089142,95.04895,95.085518,95.663055,96.347031,105.069794,107.085548,109.063271,109.100868,113.833054,114.672722,115.053688,117.069534,118.916237,119.085236,120.497398,121.100967,127.527069,129.069351,129.192657,131.08522,133.101151,135.116013,141.069199,143.085785,145.100769,147.116531,149.892059,159.116272,161.13266,169.100967,169.22551,171.115692,171.88858,173.132294,183.115692,184.072647,185.13063,201.163757,213.166962,217.191544,223.146652,226.311722,237.16626,240.268555,244.528778,248.965485,264.520386,283.018524,303.294678,311.237915,385.273926,390.872803,398.270599,404.624481,434.368134,449.366211,471.234283,522.56665,592.010254,695.498047,793.481506

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413459

184.007843,187.255615,199.094391,199.772171,203.156769,209.116577,209.789078,213.092789,216.808701,221.252808,227.205566,231.936279,242.085953,255.214661,257.244019,267.134705,293.211304,295.066467,299.260742,302.041809,305.124237,311.255768,312.240662,323.362396,328.293762,341.396637,342.192932,343.323303,349.367645,351.267609,353.871552,364.148804,367.22937,383.416931,385.362061,398.37854,410.275604,435.343628,444.173462,454.367828,455.199646,456.480408,457.3797,459.414185,463.59964,465.285461,466.350555,467.40274,472.493835,476.420013,483.567017,486.131653,490.25827,499.256622,505.363556,506.471558,508.261536,509.305237,516.462341,524.414673,533.424683,540.453857,552.333984,553.422546,559.661621,564.346558,570.379272,575.581909,589.554199,593.124634,596.348267,597.462036,598.410767,612.124146,614.470459,619.491577,625.360107,633.840942,634.714355,636.519653,645.609131,646.476196,648.346436,656.853027,659.482056,662.358887,663.613647,664.468384,672.625,674.269531,677.537598,679.522217,694.341187,695.564453,696.718018,697.53064,712.635376,714.029419,720.598877,736.608398,738.704346,739.491577,746.433228,750.569336,755.09729,756.860229,757.588013,760.440308,762.084473,764.787109,777.704224,778.937256,782.631714,784.528687,790.19751,790.979004,792.057861,793.512817,794.392212,795.320068,798.706055,799.746094,806.784912,814.701538,815.785156,819.786377,820.578003,821.617188,822.637451,833.623901,835.806152,836.599731,837.612183,844.478149,847.580444,848.530273,862.57959,863.529663,871.110596,879.628418,880.570923,881.619141

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413460

91.054222,91.779327,93.069878,95.08551,95.705994,104.38781,105.069885,107.085609,109.101234,112.558807,117.069588,119.085243,121.101379,129.069794,131.08548,133.101074,135.116379,137.096832,141.069427,143.085327,145.101074,147.079865,147.116608,155.08551,157.100525,159.11673,161.132095,169.101578,171.115952,173.133057,181.100189,183.11647,184.072784,185.132095,187.148468,199.14769,201.163574,209.130615,213.165787,227.888351,272.74884,291.408539,336.385986,385.273102,387.587555,389.637543,398.271362,406.632782,456.371155,509.204407,564.366699,695.500977,697.5,793.47406

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413461

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413462

91.054039,93.069695,95.049019,95.085289,97.064201,104.264229,105.06974,107.085518,109.100868,111.977036,112.819443,115.053833,117.06971,119.085281,121.100952,129.069794,131.085281,133.100739,135.079651,135.116516,139.34903,143.085114,145.100708,147.116531,149.094635,149.132355,152.551163,155.009567,157.100677,159.116119,161.132309,169.100891,171.115829,173.132339,175.146317,183.115265,184.072632,185.131134,187.148468,197.129181,199.148132,201.163116,202.515732,246.554642,257.951904,260.58963,283.020203,385.272186,398.26651,600.624512,695.499573,793.456421,809.122192,874.545105

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413463

178.037811,183.087463,184.070435,185.017853,187.078903,193.13652,197.975891,199.138916,204.179123,207.168335,211.13327,213.065948,214.086548,223.152847,227.08194,228.041656,229.170593,231.304977,233.104095,241.148102,251.179428,253.12616,255.202377,260.22818,263.18924,269.195496,279.304474,280.11145,283.05127,285.179077,291.107239,293.386719,295.208282,306.193481,307.34967,309.288269,311.105286,317.48761,319.293518,335.276489,341.161255,349.359497,357.255432,362.379028,367.293701,380.301025,383.156921,384.345337,385.258698,387.746338,398.26825,399.323761,410.448273,415.949829,425.590851,427.007538,437.349792,439.454407,442.558807,445.326538,454.222656,464.253754,465.409271,466.914734,472.37558,481.590088,483.331665,495.551086,496.360535,498.398651,506.543732,524.444214,534.340576,536.99585,540.318726,541.408386,543.46814,547.59375,552.400146,553.037476,554.528687,555.405518,559.421631,561.586304,570.337402,597.506592,598.625,599.450195,612.207031,619.708618,620.647705,632.407776,645.722168,646.525696,651.633484,663.437622,664.415527,674.545898,689.60498,692.436157,695.537842,696.287354,697.081055,697.842407,710.810791,711.422241,713.707031,714.659302,720.730835,722.53479,726.550537,738.929077,742.815552,744.512207,758.5448,760.677368,764.931274,765.717285,770.276123,775.537842,781.680664,782.575562,783.499634,784.159302,791.438965,793.458496,795.875732,800.47998,815.692749,819.483276,820.699707,821.845215,822.67688,823.451294,824.447998,834.845947,837.608887,841.612427,842.485474,844.691772,847.6427,848.725708,862.559082,863.379028,864.236206,879.627808,880.605103,881.551636

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413464

91.054169,93.069847,95.085487,105.069786,107.085571,109.10128,112.659088,114.456184,117.069847,119.085289,121.101036,128.98851,129.068985,131.08548,133.1008,135.116013,143.085388,145.101059,146.695801,147.116531,155.084366,157.1008,159.116928,159.539551,161.131149,169.100342,171.116394,173.131653,175.147278,175.236191,183.115463,184.072861,187.148331,195.976212,197.131042,201.162125,209.131409,211.148102,251.568741,265.119263,283.018402,311.232635,319.191193,354.523499,385.272614,398.266693,411.592346,472.172424,514.92572,537.041809,677.199036,695.501038,786.105347,793.468689,848.053833,865.033386

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413465

178.016022,181.420227,183.004517,184.071091,185.097824,189.124725,199.1483,201.118164,203.251801,209.095032,211.191071,213.139801,215.177444,223.084335,225.162766,225.784988,229.617401,240.991089,248.135345,251.338318,254.091049,255.166809,259.961823,269.201477,274.167603,283.047668,284.016907,285.178955,291.139038,293.301331,295.198547,309.2677,311.253754,325.275818,332.145203,341.251709,347.405334,349.193298,351.270538,352.342041,367.217285,369.58136,370.356171,373.236572,377.232544,380.40979,385.404846,387.465485,394.442352,398.377747,410.303253,413.359985,420.293152,439.274963,453.289307,454.578094,465.355743,472.366364,478.498688,483.363098,496.439423,506.882416,514.231201,517.310059,518.60022,521.628784,522.41156,524.390991,526.465881,534.466309,535.407837,540.513489,547.614319,551.352783,552.412476,558.549683,559.605225,569.206787,570.458679,571.291199,573.616943,579.708862,587.302368,589.54541,594.390564,598.609253,599.286621,603.575684,612.485229,614.147949,615.623657,616.442383,619.523804,620.606567,638.957153,641.61615,646.579834,651.59021,658.798279,661.616699,664.593567,670.503296,674.036377,676.555054,679.713013,684.145142,686.538086,690.729126,692.585083,693.349365,695.564331,696.28064,697.113525,697.78125,698.576904,713.696899,723.763306,738.723511,754.619385,756.284912,757.710449,782.682129,783.315186,784.737305,785.906982,793.613647,795.272095,802.465088,803.590332,819.793457,821.664062,822.670288,834.693359,836.998657,844.55481,861.844604,862.619385,863.677368,864.562988,879.551636,880.678955,881.662964

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413466

91.0541,91.865143,93.069725,95.049103,95.085464,98.984116,99.782494,105.044037,105.069771,106.049995,107.085152,109.101288,117.069695,119.085136,121.101204,122.724541,124.998955,128.900497,129.069748,131.085129,133.100754,135.116928,135.953476,143.085098,145.100632,147.116516,156.500107,157.100952,159.116302,161.132492,169.09967,169.855209,171.11615,173.132309,183.115936,184.072662,185.131836,201.162476,202.950073,211.147614,223.148392,225.162842,265.450409,296.87973,344.616547,382.539642,385.272522,398.26828,465.623352,498.517242,695.501038,700.283813,707.913025,756.657043,793.465027,880.572998

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413467

183.964218,185.045105,187.260345,190.234711,195.101898,197.069702,199.15416,201.397598,203.247589,209.090286,211.272842,215.160736,223.135956,225.113983,227.233398,241.448395,253.159058,255.234619,260.027832,261.076416,265.294617,266.005066,267.237427,269.16391,275.260132,283.003204,283.967194,291.154541,293.195709,295.257599,299.1745,303.239716,305.338257,309.145081,311.385529,314.218018,325.166016,329.48584,330.09021,331.411316,343.483765,349.385803,352.410767,357.398499,367.280853,379.254303,383.405579,385.225006,396.450226,398.298706,399.000061,403.213928,410.298798,413.255066,417.203766,418.429871,426.50589,429.286682,435.381805,439.467255,441.520264,454.262421,457.569122,463.352966,465.283234,481.506805,482.801605,494.605225,500.913696,506.432587,509.588135,519.446655,524.165039,534.421631,547.50531,551.351074,552.405396,555.421204,558.437073,559.57373,570.36554,603.698364,612.386841,613.22876,615.613403,616.51709,619.625244,620.633423,621.533203,624.448059,639.584717,642.678711,646.467407,648.534485,660.431274,662.416016,664.657593,679.631958,695.527222,696.502441,697.270752,698.302124,700.296021,727.779419,738.644531,753.515991,764.731323,775.714355,782.553467,783.263184,784.324463,785.744751,793.534302,794.230713,803.969727,817.61792,821.635254,822.858643,834.506836,844.763428,848.696899,852.632568,861.740112,862.689941,863.445068,879.782959,880.655029,881.896606

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413468

90.150108,91.054337,93.070007,95.049461,95.085587,98.157516,101.70134,105.069908,107.085609,109.101028,109.985504,111.416382,115.413254,117.070038,119.085442,121.101067,123.079689,129.069717,131.085449,133.100815,135.116287,141.069366,143.085739,144.076157,145.101059,146.833267,147.116608,147.898468,157.10112,159.116577,161.13176,169.101883,171.116699,173.132568,181.101151,183.114655,184.072937,185.132401,187.146927,199.147308,201.162918,204.432739,206.310669,311.238983,351.414917,385.274628,386.659424,398.267639,482.602325,565.798096,695.499695,707.648621,743.044312,844.01825,880.599609

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413469

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413470

90.176834,91.053909,93.069588,95.049217,95.085213,98.017479,98.983681,104.106659,105.069519,106.050018,107.085098,107.747597,109.100632,115.052757,117.069389,118.483246,118.485741,119.085068,121.06385,121.100563,124.938118,124.999496,129.069305,131.08493,133.100616,135.079727,135.116272,137.095276,141.069382,142.94754,143.084671,144.064804,145.100449,147.116013,149.131531,155.08519,157.100433,159.082703,159.116119,161.131607,169.100418,171.115723,173.131485,175.147446,181.099777,183.115707,184.07254,184.098862,185.131195,187.147995,187.528809,195.114441,197.131424,199.146744,201.163071,211.148422,213.16246,215.178314,229.979919,239.180176,260.047394,269.224487,293.224731,311.235168,316.124817,319.896057,360.716888,385.271912,398.266754,465.233307,509.200806,640.321045,683.713928,695.500244,697.499573,703.953918,709.038513,793.472534,822.504211,880.582275,887.332336

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413471

180.089966,181.081009,185.163712,187.062729,193.172241,197.13353,199.045242,201.171783,209.135269,211.070053,213.165512,215.187363,216.103302,219.064728,223.012329,225.266754,231.442902,233.0802,237.204529,239.182953,241.289276,241.996155,251.146851,253.307556,255.141617,256.073914,259.947662,263.09259,264.156403,265.319397,267.339722,269.209229,277.379395,283.239014,289.599731,293.270264,295.23587,299.157593,302.289001,307.044617,309.510071,311.199219,313.671082,321.169525,327.377167,329.291931,344.385559,349.077209,367.337402,370.407928,381.324402,383.370209,385.356384,396.228577,398.269714,406.511719,409.488647,410.330139,414.27948,415.458313,421.435059,437.172638,439.30365,444.427856,454.304474,457.346375,461.596161,463.176208,465.28064,472.390015,476.051514,477.462036,478.213776,483.338867,496.408997,504.603363,505.39975,506.656311,507.386078,514.431519,517.529053,521.350952,525.348572,534.343384,543.331665,552.354248,559.477417,561.505676,569.605835,570.435181,573.204834,578.578308,587.348145,592.24231,595.584473,596.466309,612.434631,613.515747,615.889526,629.705811,630.496521,647.564087,689.159302,695.543213,696.513306,697.794678,701.281982,702.730347,712.1073,713.631348,728.375244,730.308594,736.596191,737.514404,739.594238,754.67334,755.692627,764.54895,772.52356,779.453491,782.571167,783.228027,783.931152,793.537964,794.166626,800.58667,820.924683,821.583008,822.869629,824.505615,835.527954,836.626709,848.69104,862.628052,879.465942,880.497803,881.513672

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413472

91.05394,92.35688,92.920204,93.06958,95.085281,100.539856,100.669083,105.069572,107.085152,109.100464,115.05349,117.069283,119.085205,121.1008,127.333961,129.069199,130.077011,131.085007,133.100739,135.079788,135.116058,137.375137,141.069214,143.085251,143.970215,144.064636,145.100494,147.116455,149.096069,149.131424,157.100998,159.116379,161.09584,161.131699,169.100525,171.115952,173.131622,181.101028,183.116638,184.071869,185.130768,187.146057,195.117508,199.148209,201.162354,211.147751,237.165405,241.785095,242.941864,257.904205,287.653412,293.222321,323.206543,385.27182,398.268433,509.190735,658.633789,695.501099,793.468445

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413473

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413474

91.054054,93.069725,95.049004,95.085304,97.064636,105.069595,107.085289,109.100883,117.069557,119.085152,121.100929,123.117302,123.468178,129.069412,131.085144,132.521103,133.100739,135.116425,135.810852,136.062958,141.069489,143.085052,145.100754,147.079895,147.116592,149.131454,155.084595,157.100433,157.953384,159.116013,161.131821,165.818924,166.74968,169.100616,171.11615,173.131912,175.148712,181.101364,183.116852,185.132126,187.111252,187.149261,188.569885,197.131912,199.148132,201.16304,211.150024,217.642883,219.633636,223.148315,227.180542,236.212814,285.788757,311.234833,318.193604,354.101593,380.195496,385.272522,398.267944,410.96051,416.329071,509.207123,557.9151,561.286926,581.658447,695.503052,793.47113,811.346558,819.220093,834.056335,870.127136

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413476

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413477

183.081879,197.252777,203.19165,209.015594,211.118561,213.139557,215.203369,221.083679,223.198273,223.92453,225.596344,229.193298,235.603287,238.222992,241.079865,249.190292,253.933945,259.925964,261.186584,263.187164,265.281708,267.205444,269.155731,276.132843,281.147003,283.195435,285.275269,286.945251,289.430054,293.259918,295.284302,297.112305,301.186584,305.223236,311.282135,313.606659,315.133698,327.466614,329.215759,331.681458,333.201141,349.421783,353.109619,358.204498,361.365173,365.227173,367.327087,370.19754,373.447266,379.301758,380.279907,383.280212,385.369873,387.473938,389.501831,393.255798,395.394592,398.33075,400.478882,410.342529,412.487976,413.326538,423.442078,426.365631,439.513397,452.642456,454.442719,465.322144,472.443024,478.371826,479.284363,483.376678,496.328308,502.409668,521.483032,527.452881,529.36969,531.370605,533.515991,534.290039,536.320251,545.744873,547.367065,551.313354,552.293945,563.604614,566.533447,570.330688,575.444885,578.673523,579.461243,587.407227,588.405762,592.583801,594.538818,596.388245,597.594238,612.315002,613.454346,620.556885,625.804932,627.741455,655.073242,673.577026,675.630859,695.534912,696.572021,697.640015,698.433105,708.565674,713.716187,719.817871,726.632446,738.717896,751.325806,754.473633,757.49292,760.601807,765.655884,782.565552,783.706787,784.602661,793.510742,794.131226,800.407715,814.56604,817.43811,821.652466,822.417603,836.818604,837.543945,844.330078,845.739502,848.651978,849.645752,852.824829,862.662598,863.658447,864.30896,879.6427,880.44812

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413478

90.035942,91.054153,91.772095,93.069786,95.049324,95.085388,98.984352,105.06971,106.861786,107.085365,109.100952,117.069717,119.085373,121.100967,129.069733,131.085144,133.101013,135.116501,141.069168,143.085236,144.125046,145.100677,147.116394,155.084518,157.100922,159.11673,161.131866,162.075546,167.085571,171.116608,173.131943,181.102112,183.115784,185.132477,196.351074,197.132187,199.145782,201.163132,223.148071,225.16304,232.151611,262.446594,263.566376,293.225067,308.38266,385.273102,398.271179,443.551361,558.980408,695.502014,770.755737,793.474243

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413479

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413480

91.054306,93.069977,95.085602,105.070007,107.085564,109.101151,115.054626,117.069862,119.08548,121.100853,129.069626,131.085403,133.101227,135.116776,141.07077,142.709778,143.085709,145.101151,147.079712,147.11702,157.100967,159.116562,161.132233,169.100647,171.11705,173.132263,181.100266,183.117844,184.073578,185.131561,187.147781,189.39798,195.115967,197.132492,199.147903,201.163147,212.380356,223.149612,224.07756,224.594498,233.779099,247.603226,251.307083,251.368134,254.668167,311.231415,322.818726,337.46524,385.274261,398.268524,427.015076,470.603912,695.503723,697.50354,805.91803

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413481

183.023163,184.34877,184.951279,187.211472,189.295227,199.187042,203.246094,205.177094,207.131287,211.139404,213.134186,215.146332,217.514832,218.939941,223.136398,223.84343,225.125275,227.042358,233.111694,237.092209,240.562378,241.283051,243.202087,254.180756,256.181091,260.050873,267.121887,269.154053,278.26236,280.298065,283.112518,289.117737,293.189667,299.196472,301.246704,304.237518,305.16571,311.255432,313.346313,316.213654,321.358337,327.343628,329.250244,331.185303,335.183685,337.169312,341.213135,365.314819,367.290649,369.267365,380.31073,382.14209,385.317688,397.358734,398.285126,410.401733,417.24649,428.515991,439.154572,441.61615,444.377991,453.571655,454.435242,455.730469,463.459137,465.35672,470.27951,472.532928,478.239197,479.646149,480.426697,483.448608,493.519684,501.400665,506.275024,507.526367,508.293457,522.351562,529.431335,532.715576,534.185425,548.370239,552.300293,562.473328,570.315552,575.365723,576.221191,583.680664,593.488892,596.298401,599.638184,620.520691,624.461304,634.549194,641.7229,651.706787,652.533875,659.444092,668.027039,669.360962,674.583252,681.596191,682.367676,683.80603,695.493774,696.290161,697.201538,698.338989,700.724731,704.365967,708.453125,713.583252,718.337891,729.670166,735.456909,736.380737,738.576904,743.522217,746.635376,753.463867,755.621704,757.686279,758.528442,762.638428,768.762085,782.556274,783.729858,793.630371,794.451294,795.819214,798.459229,800.606812,810.185181,812.368774,817.677368,820.557251,821.473633,822.206909,823.294312,824.653931,837.887695,844.518066,848.555908,852.65332,853.461304,861.557739,862.591187,879.552612,880.491699,881.471069

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413482

91.054047,93.069656,95.048706,95.085426,97.064369,98.984154,101.190506,105.069641,106.468399,106.471519,107.085144,109.100983,117.06945,119.085167,121.100861,129.069519,131.085175,133.100983,135.116226,143.085037,145.100662,147.079514,147.11644,149.131546,152.368988,155.085617,157.100601,157.683182,159.116257,161.095413,161.131577,166.811691,169.100342,171.116287,173.131561,175.147507,181.101334,183.115921,184.074036,185.131546,187.1465,197.131073,199.147873,201.162354,221.40416,229.675568,276.61145,291.647125,293.225342,311.233551,367.256531,385.272125,398.267639,406.339447,489.443024,558.019104,565.264893,638.651428,658.857788,674.884338,695.500916,697.480774,747.478088,793.471497,795.71283

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413483

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413484

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413485

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413486

91.054153,93.06974,95.049286,95.085419,97.064568,98.730675,105.069672,106.312187,106.852547,107.085205,109.100899,115.054237,117.069649,119.085297,121.100883,123.116234,124.839409,129.069611,131.085205,133.100967,134.006516,135.080414,135.116592,137.950302,141.069061,143.085419,145.100754,147.08046,147.11647,149.096725,155.085999,157.100784,159.116547,161.132797,169.10025,171.116714,173.020966,173.132248,175.110229,175.146942,181.098724,183.116241,183.292511,185.131256,187.147171,197.130936,199.148239,201.163605,210.532928,211.151596,213.163437,224.000244,227.177368,230.213486,247.979797,254.021591,269.226685,277.335968,278.711426,284.03186,293.225281,364.77243,385.272308,398.268463,504.674957,569.224854,695.502441,755.20343,833.982239,857.623352

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413488

91.054176,93.069817,95.085403,98.984123,99.05777,101.198441,105.069832,107.085747,109.101082,117.06955,119.085327,121.10128,129.069611,131.085083,133.100906,135.116867,142.19043,143.0849,145.100769,145.910156,147.116302,149.132935,155.009537,155.086456,157.100952,159.116364,161.132294,169.100677,169.369553,171.116074,173.132492,181.101868,183.115433,185.131561,187.148834,195.114258,197.13179,199.147919,201.16275,211.147903,213.163651,237.137451,243.320312,265.666687,311.234589,372.082245,385.27356,398.265961,549.011047,695.501587,727.159973,731.842773,767.549316,770.815857,793.472412

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RJCZACBLQGCNCW

C50H74NO10P

C50H75NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413489

185.116714,187.118896,189.641785,191.074417,197.364914,199.159668,201.139359,203.210114,212.535614,213.345215,219.189087,223.166656,225.241974,227.234344,229.086029,231.096588,235.393112,241.996368,245.09436,247.135773,251.429825,261.19986,264.811646,267.276581,269.177368,275.249481,277.289062,279.408386,281.167786,283.027527,284.06842,285.146637,287.220642,293.253174,297.313873,299.09552,309.257385,311.275452,313.33847,315.218781,317.282867,325.439819,327.437103,333.46286,340.335571,341.242767,347.520447,349.249512,353.202393,365.2388,367.332764,369.337128,370.312744,371.301147,373.283142,381.331177,383.356018,384.370453,385.388336,387.285339,388.382202,389.310394,391.252625,398.340271,401.29245,402.371429,411.426941,412.517029,414.286987,415.256134,426.418732,429.318024,432.29007,438.305511,440.468445,441.562317,444.291656,447.285828,448.41748,454.411102,457.653381,458.619232,463.423492,465.494171,469.30777,472.426147,474.49826,476.561951,478.36972,487.549408,497.523224,499.627472,500.270813,506.39621,510.049591,511.403473,512.150024,518.549377,519.41864,521.520142,523.440796,525.54126,528.405273,529.204834,534.369385,537.291809,538.343506,543.416382,548.313904,551.68396,552.437195,553.710815,555.42688,556.447144,557.504395,561.53064,563.723267,565.458862,570.408508,573.566528,574.487915,575.357422,576.546265,577.378052,591.542236,592.674683,597.527954,599.701904,601.718384,602.553589,603.669678,615.669373,619.766602,621.546997,622.549927,623.563049,624.621643,625.604614,627.326843,640.715332,641.47998,644.532837,659.850464,663.681885,666.370605,681.374756,685.339355,692.280884,697.857422,699.571045,700.240112,701.235229,702.124878,702.865356,706.329712,715.454956,717.774658,730.618164,740.596191,742.634766,745.039917,758.500732,761.45752,769.733521,770.609863,786.593262,787.285767,792.712891,797.637451,803.627686,828.553101,838.689575,839.656738,841.787598,848.714233,856.920044,858.812866,866.025024,866.630249,883.656616

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

SWXTUPVWUZCBPV

C50H78NO10P

C50H79NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413490

91.054092,93.069771,94.291458,95.049255,95.08532,97.064819,103.319885,105.069611,107.08532,109.10099,112.03968,117.069519,119.085197,121.100815,123.116638,129.069611,131.085144,133.100922,134.772141,135.081161,135.116302,139.676575,143.084991,145.100845,147.116501,149.094589,149.131561,149.862289,157.100082,159.116165,161.132385,163.148148,169.100922,171.116486,173.020309,173.131546,175.147339,181.951065,183.11499,185.13205,187.148178,189.161835,199.146759,201.16333,203.178436,213.162018,217.19339,229.191223,254.111832,270.570862,277.363159,283.017731,284.023376,285.022583,297.256287,315.267426,352.729279,358.240295,371.291534,385.272583,389.304291,398.269409,402.298096,406.465027,436.337646,453.757599,687.51825,699.532288,707.156982

0.40218056737556795,0.27615370926529853,0.020763200064418435,0.023222458520791793,0.22077344449281425,0.03143966301181576,0.018666318778207923,0.26215622627040025,0.17770436118648011,0.1381492554476065,0.018786398012833435,0.19893954862194377,0.3135740173171023,0.201832792135208,0.03287608210211865,0.05311901365544649,0.2820399254180235,0.23094111820829039,0.01826176465587522,0.02401240604937196,0.0906225389497376,0.01861783757602333,0.08755088087343597,0.18141435021803068,0.13646879666646358,0.024709296970557397,0.055795251125814384,0.016777363995855193,0.07693032652563944,0.12529003528484808,0.08282190912201855,0.03755262635124594,0.052560973581406344,0.08740509731408758,0.021792319185561387,0.07186070369274192,0.03536357469993564,0.017810007130734707,0.028601733985193313,0.058730577070535354,0.0282136094934385,0.025279970079790836,0.03524255645230215,0.09336928203443212,0.1252464455496788,0.04257368818234405,0.019682895644263763,0.02212041815766725,0.015518908946671479,0.017473558922819352,0.020284718155063254,0.08243223312303469,0.039880730158709715,0.049472214495912555,0.028319208315698768,0.03598062638803469,0.021062318623884316,0.017991534522295727,0.03935344792915378,0.13661182090475543,0.12820281023650093,0.05932766035300007,0.0419003449449805,0.01971729289819771,0.019255718130018844,0.019449590127822585,0.019265698632450645,1.0,0.018035467950866604

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

SWXTUPVWUZCBPV

C50H78NO10P

C50H79NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413491

183.105347,185.050827,187.291351,189.092377,191.291565,195.139282,197.049759,198.965576,201.169647,203.181335,206.044266,209.321609,211.039703,214.104828,215.216339,217.282318,219.176117,223.247009,224.059143,225.306702,227.231628,229.243378,231.832642,233.27063,235.191727,237.117126,241.266754,243.23642,251.148743,253.101929,255.101852,257.105072,261.285889,265.313293,267.273682,269.207916,275.315796,283.021118,284.065308,285.011322,287.460785,288.355438,291.241089,292.180084,293.234833,294.371796,295.380615,297.231171,299.42981,309.284119,311.241699,313.516296,314.380249,315.329712,320.373108,323.13382,325.312958,328.208801,329.600098,331.329834,333.440521,341.452271,347.287079,349.308105,353.317993,355.330109,359.31012,361.118774,365.27652,367.392517,368.206543,371.298553,373.355377,377.295685,383.360168,385.32254,387.18988,389.394165,391.363525,398.364197,399.121338,402.299072,407.372925,416.372192,417.603485,420.393066,429.490845,437.221924,443.432922,444.223267,447.305573,448.564087,454.506287,458.430573,459.439331,461.36795,463.456818,465.319672,467.420013,469.332947,471.435822,472.296539,473.564423,476.448608,477.578308,478.192566,483.468872,487.616028,501.389984,505.29953,509.412323,517.700806,519.451172,523.253296,530.687134,533.528076,534.681458,537.553833,538.403198,552.258728,552.892944,556.394653,569.390747,570.351807,574.421631,575.549805,576.31604,577.466187,585.593018,599.488892,601.773315,602.525635,609.478149,610.556274,614.421509,619.567993,621.627197,622.637268,623.593079,624.645447,625.62146,629.568176,631.232544,640.483643,643.731873,645.630371,647.422791,659.562744,675.647095,687.49353,697.600952,699.5448,700.157104,700.77832,701.771973,702.710815,704.010132,710.643555,717.601929,720.42981,722.535645,723.680176,724.490601,725.622437,736.566406,740.483154,742.547241,750.590698,751.701538,753.980591,757.996704,768.564453,769.755005,779.64502,786.544678,787.613525,797.571777,804.553833,810.669556,821.649536,839.503052,842.015869,848.513184,853.663452,865.836914,866.641602,867.287109,883.32019,884.825439

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

SWXTUPVWUZCBPV

C50H78NO10P

C50H79NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413492

91.053993,93.069763,95.085426,98.950211,105.069672,107.048981,107.08506,109.100822,109.889412,117.069572,118.355423,119.085213,121.100906,123.081261,123.116127,129.069626,131.085098,133.100708,135.080688,135.116577,140.696793,143.085419,145.100464,147.116562,149.131836,155.009995,155.084442,157.101074,159.116302,161.132141,163.109726,163.148026,164.619186,169.100845,171.115524,173.018661,173.131607,175.147034,177.167191,178.852661,185.13208,187.114609,187.147202,189.164932,197.131882,199.147705,201.16391,203.178802,213.16478,217.195038,267.540527,283.01767,288.606384,297.261017,315.267151,357.930084,371.294281,385.272491,389.305267,398.266174,402.300171,476.331543,510.73465,699.532715,786.867981,818.164124,863.760742

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

SWXTUPVWUZCBPV

C50H78NO10P

C50H79NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413493

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

SWXTUPVWUZCBPV

C50H78NO10P

C50H79NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413494

91.054077,93.06971,94.435471,95.08532,98.244698,99.080338,99.826126,105.069687,106.863792,107.08519,109.100899,110.747528,117.069397,119.085197,121.100945,129.069565,131.084946,133.10083,135.116592,141.069412,142.050034,143.085236,144.064484,145.100739,147.116501,149.13295,157.100922,159.116272,161.132278,162.075821,163.146896,167.08493,169.099792,171.116364,173.1315,175.147385,183.117325,185.131378,187.147934,188.685135,189.162933,199.147629,201.163132,201.599808,203.178528,255.817566,269.225281,283.019379,285.021515,294.762787,297.254669,315.268219,385.273712,389.304565,398.267212,402.2966,531.974548,550.157654,699.532349,780.128113,811.624878

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

SWXTUPVWUZCBPV

C50H78NO10P

C50H79NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413496

91.054031,93.069633,93.806396,95.08535,96.28743,98.984024,99.080421,101.319817,105.069649,107.085251,108.916458,109.100716,110.001328,115.142715,116.477287,117.069794,118.082504,119.085228,120.861481,121.100899,123.116425,129.069153,131.085022,133.100906,135.11647,137.132111,143.085159,145.100647,147.11676,149.131821,152.064484,157.10112,158.043549,158.309906,159.116547,161.131821,169.101166,171.116531,172.072617,173.131729,175.146881,185.13179,187.148056,189.12793,189.163101,197.130295,199.147797,201.163605,203.178253,213.163025,215.177475,220.251236,229.59613,283.016113,285.023224,289.667633,293.22403,297.257599,315.267883,348.227173,373.986694,385.272186,388.15387,389.303619,398.268585,402.299866,526.016907,599.468262,613.722534,627.349365,689.861572,699.53186,702.657654,738.191833

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

SWXTUPVWUZCBPV

C50H78NO10P

C50H79NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413497

179.00441,181.265274,184.056152,185.098755,187.179321,194.115646,195.018707,199.127991,206.180298,211.100204,213.170258,215.129105,217.253036,225.1642,226.986664,237.32872,241.328598,242.190735,249.355682,251.293015,260.129395,262.06012,265.344391,266.023376,267.146729,269.344727,283.004883,284.050049,285.08313,293.254852,295.377014,297.247131,299.34729,301.389313,303.297302,307.216797,309.26358,311.27243,313.363922,314.344299,315.353943,322.345337,323.279083,325.446838,329.233124,331.34137,333.279633,349.37738,360.283997,367.381653,369.408569,370.206848,371.375305,373.477844,381.347046,383.474182,385.332245,385.940002,387.417114,389.396942,392.279083,395.293365,398.376801,402.393494,407.357422,409.533447,410.324829,413.329041,414.367889,415.295746,416.201355,420.650024,429.581268,430.355743,441.716949,443.389984,446.296631,448.388702,454.321899,458.4198,463.299469,466.04245,469.343201,472.387604,476.308441,478.340485,483.299255,487.485718,488.366333,496.277588,500.439148,503.635437,504.527039,506.710388,509.508118,510.384918,511.431427,518.698303,519.391357,522.842896,524.369385,537.533081,538.541382,543.574219,547.492188,550.612915,551.44989,552.407959,556.422607,558.447144,567.557739,570.427368,573.531982,574.501587,577.559998,578.402771,579.30481,580.33783,591.540161,597.494507,599.637512,600.838196,601.672485,602.731812,609.826782,621.671631,622.593506,623.649902,624.593506,625.37085,627.698486,628.532715,631.21991,638.809204,639.681396,640.755127,641.796448,642.666443,656.427612,660.017517,662.559631,670.414124,671.654053,677.648804,678.734131,694.889893,697.688232,699.598511,700.537231,701.387207,702.451294,715.797485,717.662476,720.505859,730.702026,739.77771,742.608032,748.452148,750.651978,755.990723,758.532349,762.551636,768.967773,779.636841,786.642822,787.597534,788.977783,796.494507,797.506592,807.768555,810.647095,811.594849,823.841553,838.714478,848.978027,850.738037,851.568237,852.382324,856.779541,865.755127,866.754639,867.422485,875.730347,883.885376,884.747559,885.566284

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

SWXTUPVWUZCBPV

C50H78NO10P

C50H79NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413498

90.245949,91.054131,93.069733,95.048836,95.085388,98.983948,105.06971,106.467133,107.08535,107.511314,109.100838,114.371552,117.069786,119.085197,121.101044,123.116325,129.069763,131.085236,133.100876,135.11676,137.096115,143.08519,145.101028,145.837112,147.116287,147.580902,149.132217,157.100601,159.116486,161.131882,162.077011,163.148987,169.10141,170.469711,171.116318,173.131638,175.146973,182.337524,183.115021,183.426315,185.131607,187.146698,189.162796,199.148117,201.16301,203.178787,213.337006,215.17807,254.33078,283.018372,284.02182,285.022095,293.228699,297.257141,315.265228,322.490021,385.272766,389.304108,398.268219,402.295349,402.58075,490.499451,539.025574,699.532166,786.578125

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

SWXTUPVWUZCBPV

C50H78NO10P

C50H79NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413499

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

SWXTUPVWUZCBPV

C50H78NO10P

C50H79NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413500

91.054207,93.069809,95.048759,95.085411,96.071426,97.474129,105.069786,105.595787,107.085434,109.101074,115.442711,117.069817,119.085358,121.100967,123.11689,129.069763,131.085449,133.100967,135.11647,143.085022,145.100998,146.208817,147.116425,149.131638,155.084381,157.100906,159.116425,161.132111,162.077332,169.099167,171.115921,173.131805,175.147217,176.083664,183.116257,184.07254,185.132416,187.147278,189.130646,189.16243,191.272171,199.147873,201.163483,203.144745,203.179092,208.293381,211.147629,215.17804,217.196411,217.973587,226.089081,241.196976,261.480011,283.01825,284.02179,285.022491,297.257019,315.26828,337.769226,385.272125,389.304108,398.265106,402.298828,624.493774,699.532288,791.010132

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

SWXTUPVWUZCBPV

C50H78NO10P

C50H79NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413502

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

SWXTUPVWUZCBPV

C50H78NO10P

C50H79NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413503

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

SWXTUPVWUZCBPV

C50H78NO10P

C50H79NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413504

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

SWXTUPVWUZCBPV

C50H78NO10P

C50H79NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413505

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

SWXTUPVWUZCBPV

C50H78NO10P

C50H79NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413506

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

SWXTUPVWUZCBPV

C50H78NO10P

C50H79NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413508

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

SWXTUPVWUZCBPV

C50H78NO10P

C50H79NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413509

181.253967,184.038193,187.183014,189.203186,192.405533,193.173264,194.103119,197.090897,199.191406,201.064301,203.030472,212.065872,213.258972,215.197021,217.14296,219.115662,221.093719,224.183273,225.222534,229.144623,237.200272,239.197174,240.314484,241.207489,242.005676,243.3396,245.849686,253.21051,254.270447,260.037567,261.991455,264.912537,269.157867,273.205688,276.281006,279.511169,280.125671,281.924683,283.05777,285.087433,289.285278,291.154785,293.240112,295.201141,297.253967,299.465668,303.300781,307.583069,309.423523,311.279572,313.306152,315.331512,316.230621,319.265198,321.416412,323.298065,329.318787,331.224487,340.245056,341.483459,343.397583,351.484375,353.366821,356.253387,357.320496,361.360413,363.429779,365.703613,367.351868,369.515625,371.355347,373.345215,383.307007,384.09613,385.274536,386.178558,387.326111,389.36972,390.415894,391.320068,394.570801,398.358459,402.404785,403.381165,405.385773,410.385315,414.296509,416.334839,420.481049,427.364929,431.38739,441.284973,443.264771,449.542603,451.573364,454.400879,456.365112,458.438995,460.45285,464.17157,465.287384,469.407104,472.233002,473.515961,476.51358,478.470856,480.430084,483.140503,484.577148,487.308258,497.421021,499.57251,500.295074,501.310303,506.374359,509.448395,510.592255,511.528168,513.452393,515.615295,522.598694,524.402344,526.487305,527.535156,532.626465,534.265869,535.45459,538.397217,539.714172,540.803711,543.311279,544.673096,547.67157,549.937866,551.375,552.284424,556.405762,558.519531,560.377808,563.443604,565.639526,569.817139,570.427612,574.4104,576.339966,577.821045,583.432861,587.429688,589.649048,590.453735,591.49231,598.343567,600.647095,602.544067,603.653931,607.717285,608.438965,609.667236,616.116577,617.700806,618.515869,620.51532,623.608704,624.703369,628.551697,632.346436,637.847412,641.787476,645.417114,646.608337,648.698364,649.532959,661.555664,663.857788,665.788025,671.575623,676.496216,681.961914,692.552368,697.740845,699.567017,700.298584,701.500854,702.239502,703.558105,704.763062,712.449097,713.061401,717.832397,722.450073,724.767578,733.841553,739.602295,742.726196,743.530029,754.772339,758.565063,761.440063,762.657837,764.681274,768.765625,769.807983,779.778564,784.865479,786.668823,787.612061,788.364868,797.535278,798.282959,799.51709,800.200562,802.588501,804.702271,810.793701,816.69397,821.229858,824.277466,825.64502,826.594116,827.9198,829.796387,838.762695,840.657471,848.818115,851.759399,852.722412,856.483276,865.702026,866.598511,867.622803,883.621948,884.706787

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

SWXTUPVWUZCBPV

C50H78NO10P

C50H79NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413510

91.054131,93.069786,94.830063,95.049179,95.085396,99.080322,105.069702,107.08519,109.065758,109.101234,116.009544,117.069504,117.831841,119.085358,121.100952,123.117065,129.069519,131.085342,133.100891,135.116196,143.084717,144.065155,145.100998,147.080902,147.11644,149.131866,152.739761,155.085419,157.100616,157.870316,159.116196,161.132248,163.110443,163.146759,171.115616,173.131531,175.148026,184.073776,185.132004,187.147629,201.16246,203.178268,209.131256,211.14595,213.162384,227.179779,239.177567,282.977234,293.227295,315.270203,321.731903,385.272949,389.304382,398.267303,402.301636,454.553528,490.577728,516.235657,676.198242,699.53186,786.562927,855.480225,856.421509

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

SWXTUPVWUZCBPV

C50H78NO10P

C50H79NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413512

90.75634,91.05426,92.20269,93.069931,95.085602,101.923264,105.069901,106.883171,107.085312,109.101181,111.522072,114.217583,114.517052,117.070045,119.085564,121.101158,123.116669,129.070129,131.085464,133.101089,135.079498,135.116821,143.085526,145.100967,147.11618,149.131607,155.011322,157.101379,159.116394,161.131668,169.101898,171.116364,173.131851,175.14798,183.115067,184.07225,185.132202,187.149094,193.049469,199.147842,201.163757,203.179092,215.821014,235.953094,283.018585,284.021606,285.022614,294.483398,300.806671,314.279144,315.26535,321.129395,363.384064,385.273987,387.649994,389.304199,398.270355,398.351807,402.296112,528.798584,571.001343,624.491333,684.733521,699.533203

0.028208170129369894,0.4446281279358458,0.032191847661833625,0.3438585830643667,0.2595031629216415,0.025570859701318244,0.34579580300383567,0.03804758452957948,0.17392316309967265,0.10218443201158757,0.03095825262718046,0.02868362264354376,0.02596870778554751,0.2622114532885834,0.3319025460819401,0.20017085586114008,0.05690406371829689,0.073259195285475,0.24823947290862625,0.24569515010732598,0.03551127193323417,0.09600770808775941,0.09298146133216172,0.1451461650625825,0.14300044863962602,0.039932337136927495,0.04220527514292893,0.06072431215568618,0.14773972955253684,0.10270242758552267,0.042900457641853525,0.09247549947871396,0.09730323557410087,0.06486857346039406,0.051835375520014874,0.06743765538604002,0.04132575999686888,0.054965317235408706,0.035979798629745915,0.038794152644236836,0.08840777820797455,0.14277042377425955,0.0321540173728806,0.028815292739708395,0.2913640472937969,0.10809076156012754,0.15445810161075058,0.02864049918810577,0.02557236641529375,0.04082439234224963,0.04030316845394297,0.026478969876437938,0.025459045919777528,0.12015936074395583,0.030244258703910405,0.12436640902797089,0.05715312719677811,0.03188185704399165,0.03507302722535403,0.027592041956938963,0.02518738942063168,0.033288652476084694,0.03274836027096596,1.0

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

SWXTUPVWUZCBPV

C50H78NO10P

C50H79NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413514

91.054092,93.069794,95.049278,95.085464,105.069717,107.085251,109.101273,117.069679,117.530968,119.08522,121.100937,123.115967,129.069122,131.085022,133.10083,135.116287,143.085175,145.100723,147.116394,157.099945,159.116394,159.635788,161.131546,169.100342,171.115784,171.739029,173.131653,185.131668,187.148926,187.18161,188.395889,188.469559,199.147659,201.163391,203.178696,234.27037,238.363373,267.032898,283.017639,315.264069,385.273254,389.304962,398.273956,399.11441,514.563354,519.281189,519.321472,529.601929,535.724487,561.368591,632.804688,699.532166,767.649963,807.736633

0.47541863919210003,0.31890374891837575,0.054618569428155184,0.269050090858835,0.4729716336471342,0.2350625909539922,0.10908651983244597,0.26844327783548577,0.039997393113574004,0.4642529955699458,0.212124834200151,0.04908414322603859,0.0728321935355308,0.4051399740796901,0.3079457727219626,0.12227713523290974,0.13679952085225955,0.3069016170971349,0.1697253770602239,0.08529049794160869,0.18218809376320028,0.043940682226070484,0.11594883000055757,0.053901996660861984,0.10118658124174518,0.04591020519314611,0.09105948933450016,0.0781498647620645,0.05979134901575532,0.04368423544263922,0.03991414470360662,0.036673499031447294,0.06167744108664515,0.0872156135690068,0.17646677335507815,0.044660888931574876,0.04624303771747243,0.050514857120771375,0.10184133902316396,0.055307809585543724,0.15759540695914717,0.1745275888757189,0.05334428777669916,0.04823476169404556,0.039220790163567734,0.03651431313709343,0.03587503326507747,0.04876439725014729,0.05704493059305295,0.0422398096213995,0.04402242497083186,1.0,0.043013046997867115,0.04676615684461843

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

SWXTUPVWUZCBPV

C50H78NO10P

C50H79NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413516

91.054184,93.069901,95.085396,97.028267,105.069992,107.085464,109.101128,110.072395,111.923927,117.069519,119.085243,121.101135,123.0811,127.061287,129.068756,131.085297,133.100906,135.116913,135.896118,143.084579,144.933014,145.101013,147.11615,159.115677,161.132095,162.078598,163.144424,171.118073,173.13208,175.148254,184.073456,187.144226,199.148071,201.162903,203.178879,206.211319,237.84111,242.134079,248.986191,268.483276,283.01889,284.020477,285.02243,314.283478,380.424377,385.272614,389.304443,509.238525,527.344604,699.53186,726.965088,786.414185,798.60614

0.41419665573294473,0.2796038221704779,0.24794554394671003,0.03360790248187564,0.33381889000207976,0.173867389562812,0.12382320754501677,0.036046552370809226,0.04368863581813503,0.22416279076846526,0.3700743721957343,0.2050205064167902,0.036747286927915616,0.043441256886318357,0.06321579176018517,0.32921100545588505,0.1857416134428651,0.11998946926755648,0.04079639167012124,0.06503461350778585,0.04682968239536393,0.23198425246442167,0.13914971981746876,0.07351156147203738,0.06389363543612782,0.04444335125080689,0.05287829570841069,0.0893807647443678,0.07870781274243638,0.05855038381932256,0.07720244319049797,0.03980715591021943,0.050643453369458524,0.09893373458525184,0.11893852219136643,0.035231460657672485,0.0322917017309937,0.03543481141371262,0.0354548758702929,0.037669465047514415,0.15375822396166952,0.05872005398952858,0.10260690950262662,0.04098157583734734,0.03633649764121653,0.10645419302419214,0.1113976102001187,0.038769550790344685,0.043422212055622265,1.0,0.05424622571736524,0.04869591578084117,0.038538814706368336

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

SWXTUPVWUZCBPV

C50H78NO10P

C50H79NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413518

91.054077,93.069946,95.048477,95.085358,105.069794,107.085159,109.10125,111.72847,117.069695,119.085075,121.10099,131.084991,133.100693,135.116302,143.085403,145.100388,147.115829,157.100784,159.115189,161.132401,162.073212,163.145309,173.131638,175.148026,177.163422,184.072281,185.131683,187.148224,199.148438,201.16217,203.178391,216.718552,230.696091,252.335037,265.000702,283.017883,284.021698,285.022186,286.026703,313.269165,314.276978,315.25943,315.277161,318.237854,385.273621,389.301758,398.270752,402.302765,500.842468,548.496765,600.509521,601.505554,602.511169,622.486572,624.49408,699.531311,718.180969

0.3027101648748597,0.15913989491967617,0.03865851162861324,0.19465565225440942,0.22223535297444322,0.1090964685576735,0.08977808066048373,0.03285052884473696,0.10470442346166195,0.2560496124465938,0.11454653547133446,0.2251512848447036,0.14602433882470145,0.09697556937538597,0.062246252230457766,0.13348618646169813,0.09042750866885169,0.08210693972885276,0.10367650559383605,0.0792899972829875,0.03674403524124523,0.041439719467271006,0.058978769354807586,0.046891664807762835,0.032400301341618386,0.25034021138671914,0.05563133877243375,0.03706851996813489,0.039015679711005405,0.06094016567180277,0.11512796882037762,0.03294626042225955,0.03216524313889387,0.035087775074632024,0.03240861860301309,1.0,0.40270351262604315,0.5504133010585026,0.0629427986731803,0.04098765745685366,0.08717889587796455,0.03258562009633151,0.029770267133006876,0.031313755521524565,0.10758094824278581,0.10804166500152888,0.07552208196695574,0.0525519941698809,0.0323160090685466,0.03684298941443693,0.041440953837278936,0.053943495261230996,0.1479102718503576,0.09853078774631047,0.09435416362116976,0.5806922430567146,0.04296427362539322

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

SWXTUPVWUZCBPV

C50H78NO10P

C50H79NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413519

184.124512,199.297363,203.265671,210.092072,254.185791,273.136902,283.010986,283.940674,284.977234,292.278564,293.214478,304.286041,313.262939,355.430725,367.004333,371.309326,383.433899,385.506561,387.079895,389.333344,402.184204,443.573273,459.570404,464.32254,475.361328,483.562073,496.430328,545.643066,552.398804,572.546387,577.41748,579.382568,589.6427,600.779358,601.571472,602.875244,614.398682,621.605835,622.618958,623.698181,624.612793,668.399353,697.652344,699.592896,700.454102,726.538086,730.67041,758.80835,786.619019,787.457031,797.561279,804.481201,823.825684,825.845215,828.900146,838.886108,841.674683,866.674927,883.788818,884.824829,885.559448,886.939941

0.0038983165566796787,0.007681055788781352,0.004296999117265083,0.004938287980167554,0.00749099680804858,0.0012181908322152384,0.03254979977494567,0.0036435029848143107,0.03440716345530335,0.00865080193373219,0.006552768037502422,0.00908124534969905,0.009554456405576275,0.005237416327844867,0.004185492051795439,0.014037119259263717,0.00531481377186642,0.0038247240187697655,0.004001201506814131,0.02160743618569113,0.006094613391281387,0.009010108255537969,0.004381492174701335,0.004280268879063467,0.005499835791477108,0.005350313504620049,0.0035667111481375332,0.0046040160422501,0.007292624396337615,0.0032293014007168416,0.008027446270128451,0.00796232831458899,0.007260610362008276,0.009289154787466412,0.01211491226165478,0.010645114171894603,0.01161044051809754,0.029884856327422014,0.03528298681346317,0.05278158247296427,0.12354712033034891,0.002112207996854866,0.0071108978298456355,1.0,0.023681482459892895,0.004007729892088868,0.0031510030770812206,0.005506904580716398,0.11751850679095845,0.015926917081805582,0.010612592541630632,0.008185134661338776,0.008615449114923868,0.007386558119138605,0.007116415562726944,0.0021456924086761535,0.007603682280177855,0.02935818861041418,0.04084872423908126,0.0411513638713194,0.008206989142402456,0.0055057177141245245

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

SWXTUPVWUZCBPV

C50H78NO10P

C50H79NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413520

91.054329,93.069962,95.04847,95.085571,98.057587,99.080032,105.069962,107.085632,109.101135,114.882698,117.069977,119.085594,121.101189,123.116577,125.096687,129.070145,129.814392,129.975464,131.085495,133.101212,135.116943,143.085434,145.1008,147.116348,148.887299,149.093399,149.132187,157.100571,159.116776,161.132294,169.100647,171.117142,173.132492,173.972748,175.148621,184.072266,184.211624,185.132065,187.147232,194.295837,199.146988,199.653488,199.953171,201.162415,203.179443,212.539001,235.433731,237.528564,267.718933,269.877502,272.972748,283.018188,284.023041,285.024445,297.255493,313.888855,315.271667,385.272095,389.30368,398.268677,555.96521,604.019836,636.085693,699.533691,749.915405,793.63092

0.5247271562912511,0.36805051294938235,0.036743872711643207,0.26722266667472294,0.03824963051712614,0.04307890790707683,0.4910663190086072,0.2812756146130526,0.09834447796703315,0.03069885390115388,0.2926610662947931,0.4570801154746196,0.208068430503103,0.061430796790178495,0.04290247210546167,0.12353560199999705,0.03217390576468161,0.03340422028846693,0.41656416059768114,0.34075509750744487,0.10994160497520432,0.13315874133404576,0.26862618386466297,0.17673145783309066,0.035080192154885774,0.03385395196232001,0.06142951422808403,0.09115299456081542,0.1544055587542599,0.11197964090544614,0.05919976854311527,0.12260758314954659,0.08451016078427212,0.03268630490998055,0.053519581620766185,0.10574369968460488,0.032316712794043835,0.06942365173301811,0.06187575924471542,0.0364729689745744,0.05317210248599294,0.03171202293159335,0.039038582517197336,0.1147939885183069,0.1896099285848149,0.03717584896842212,0.036640134910340585,0.0346057496348206,0.035111220130072805,0.0382317170643203,0.034152960746544204,0.19227231863556798,0.08447439339861133,0.11911577916245224,0.04519464073163469,0.03970746088392735,0.06509678469187904,0.1310987414668525,0.1274293056105584,0.05922104042625352,0.031194532533746433,0.03528091825370042,0.03228166717330476,1.0,0.039834895542130926,0.03623319456275678

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

SWXTUPVWUZCBPV

C50H78NO10P

C50H79NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413521

183.164764,187.190842,189.218048,195.093414,197.27179,199.170425,209.129608,211.231033,213.13858,215.080505,217.072525,219.169586,223.046295,225.087616,227.093948,231.098175,237.016296,238.250427,239.081238,241.494415,242.113983,245.11087,247.184219,249.48764,251.201004,253.148834,255.388489,261.266113,263.037537,265.165863,268.10141,269.253204,270.263916,283.054749,284.024384,285.019775,287.200287,289.214935,291.297424,293.192352,295.265106,296.081482,297.235962,299.404846,306.365723,310.38678,311.272339,313.150818,314.326721,315.337433,319.338318,321.739868,323.422852,331.109924,332.177094,339.439026,347.240234,351.349426,353.21405,367.25885,369.374268,371.339661,373.284363,383.36676,385.25177,387.217438,389.376404,391.478851,392.280212,393.225464,398.259827,399.407776,402.315094,407.46933,410.54538,414.429749,415.443085,416.430511,420.370331,426.335297,430.43631,431.330933,434.689789,437.437225,439.715363,443.30249,444.306824,449.357086,452.721344,454.511322,458.262421,459.349609,465.196564,467.32843,469.374176,470.70697,472.285492,473.349548,476.422668,478.158844,482.334076,483.420807,487.439301,489.535278,496.365753,506.416199,507.43396,509.368195,511.428925,514.233887,517.28833,525.90686,529.220581,534.261719,535.247314,537.12146,538.604004,549.482361,551.371338,552.370483,553.442139,556.324768,561.448608,570.473511,573.494751,574.450928,577.650146,592.343628,601.684814,603.723755,607.851196,615.334229,621.564331,622.578613,623.593872,624.534912,625.275146,627.182007,631.22583,636.476074,640.634399,641.429932,645.54895,660.707275,664.720459,671.299805,695.684692,699.515259,700.259277,701.043213,702.360352,707.216675,717.792725,719.334595,720.240356,740.557373,742.605713,759.079834,762.701294,768.680908,769.505859,770.489136,779.655518,786.653809,787.585449,797.583618,804.793701,821.475098,824.704102,825.73584,837.560059,847.563354,848.524902,856.461182,865.420044,866.635986,867.483521,884.595337

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

SWXTUPVWUZCBPV

C50H78NO10P

C50H79NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413522

91.053986,93.069687,95.048431,95.085251,99.080315,104.06337,105.069611,107.085121,109.100845,117.069489,119.085106,121.100594,123.079224,124.040192,128.901443,129.069275,130.822174,131.085175,133.100784,135.11676,143.084824,143.828842,145.100449,147.116196,149.132019,153.768921,155.085876,157.10022,159.11618,161.131851,163.147415,169.100067,171.116562,173.131821,175.11026,175.147141,185.130951,187.147415,199.14682,201.162399,203.178436,215.178635,217.194595,243.309464,264.823395,283.017578,285.028931,297.254395,315.267548,385.27243,389.302551,398.267609,617.728943,699.531433,767.525635,783.311035,801.555298,860.701843

0.4620017405513022,0.3211131756046156,0.03147016299258772,0.2626224570486851,0.03518241791392517,0.02392216781083055,0.409827405353218,0.23389682855709984,0.09410411597855563,0.23440294510239695,0.392795208862669,0.23460621405561377,0.02304882168911296,0.02498722069310872,0.019686525410919736,0.10843630588919814,0.02463739721791235,0.2873365389044656,0.3390318793459368,0.09632722171990421,0.08589774098890181,0.028435500440425407,0.22540777597107686,0.10976793987375062,0.05271789463720049,0.02481856973587696,0.031248654194549648,0.09714370873015606,0.16361003840293775,0.12256595779521491,0.04706422170113348,0.034656595759336745,0.08883504441354748,0.08224240989372594,0.026890531513767805,0.06749965417160468,0.053542783922870776,0.042803290606978614,0.037579165690539436,0.11773159670485821,0.1530645247212877,0.03895460806233353,0.02700939694088617,0.02562923376457826,0.023559794206871747,0.0630727256722502,0.032321298438122543,0.030784006514472828,0.04285006467380708,0.14696296867321446,0.1565664218260314,0.06528831998664884,0.027468017951856504,1.0,0.026881697131307936,0.023258509435711398,0.02627168465045758,0.021735465598504096

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

SWXTUPVWUZCBPV

C50H78NO10P

C50H79NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413524

91.054123,91.785622,93.069717,95.085342,98.984261,105.069763,107.08522,109.064674,109.100769,117.069649,119.085205,121.101059,123.116524,129.069397,129.394424,131.085052,133.100983,135.116623,140.732925,143.084915,145.100723,147.116608,149.023651,149.132797,153.432632,155.085098,157.101303,159.116699,161.132294,169.101318,171.116928,173.132477,175.14743,181.09877,183.11676,185.132095,191.167679,197.130341,199.149017,201.162643,203.178787,210.892624,213.163467,215.179062,217.209717,227.177551,227.779099,229.79866,245.415482,261.909424,283.021515,285.020874,285.161377,297.254303,315.266693,330.872192,385.272766,389.30484,398.269684,417.340302,447.327026,450.90033,472.818237,505.152374,551.668213,553.847107,699.532471,731.329346,770.276184,856.031494

0.3685828861699718,0.016874632707159717,0.25745692872689896,0.2322691915764854,0.023716210648909122,0.31989252978109706,0.15998933753149508,0.024980493963054105,0.1468801322610872,0.16560379570141107,0.37895096054871086,0.1277397944250908,0.021439372692283597,0.07606807788419277,0.01770700774831873,0.30086306583334577,0.22006075443344802,0.1240819569839264,0.021675174421996398,0.07286847531871243,0.18480649721777156,0.12187074942698412,0.021388017747479615,0.034841863360632226,0.017221252926242596,0.02237593352916003,0.056467844113415225,0.0913923779232869,0.09794402505509898,0.04180774868270568,0.06371279662301163,0.07948590750409708,0.02766487053723994,0.02675061548962643,0.03515005424662062,0.06110113950251587,0.016180061476030228,0.021148057661218526,0.03701567254784647,0.08744759570595648,0.13902913464007172,0.01816870219146669,0.020789535161197727,0.0513888728455377,0.020295039829323507,0.032009636510869466,0.018768952724454835,0.020156046554459676,0.016553373004464796,0.020514234909487446,0.032688811546920264,0.026587916970463324,0.0197727362641956,0.04176980808593129,0.04078674751045369,0.019673464889853418,0.13710390962056387,0.15124872178423635,0.06320037342064952,0.022530372642250277,0.02018767324354135,0.02168930861130849,0.021171879365151677,0.020151254317164455,0.02403918674701386,0.018846481588778566,1.0,0.01890921948525869,0.018457162913584072,0.019329311406561175

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

SWXTUPVWUZCBPV

C50H78NO10P

C50H79NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413525

181.286316,184.155899,186.939667,195.976318,199.236542,201.205795,203.110413,205.162506,207.128342,209.116379,211.317261,213.061707,215.060104,216.229126,219.200592,223.190735,223.917419,225.157608,226.099579,227.157623,232.975952,236.055054,239.399002,241.331131,247.277298,248.277847,249.342438,252.002197,253.329254,260.029572,261.105652,265.058167,269.239624,278.108368,283.007019,283.99765,284.885162,285.834015,287.327637,291.243561,293.21521,294.410431,295.295227,296.209656,297.281006,298.113403,299.324097,301.233246,307.250641,310.253601,311.323456,313.202209,314.087738,315.301086,317.624756,319.248779,323.450928,329.150269,331.332489,332.021423,333.308563,348.321136,350.253723,352.255432,353.3125,366.338379,367.25177,369.147644,371.386505,372.158447,373.352051,377.594666,380.460754,385.258392,385.940613,387.385132,389.338074,390.771149,398.261108,402.368378,403.405212,409.444153,410.439606,414.529327,415.275574,416.353516,417.321808,418.358429,425.387146,426.239685,430.270691,435.99707,440.984497,452.433411,453.514435,454.318146,458.357056,459.253662,462.160339,465.375793,467.111755,467.909332,469.317749,470.660309,472.289642,476.316162,477.823425,483.350342,487.197876,495.413116,496.381439,500.409058,501.630554,505.693298,511.620178,525.443359,529.490906,530.353638,534.403809,537.354187,538.347412,549.447266,552.330505,556.370239,557.022461,563.526978,564.541016,565.491455,570.319336,574.363647,575.42627,576.790405,577.514282,578.508545,579.170776,580.488342,591.651733,598.261963,599.441406,600.755249,601.721924,602.606934,614.89978,615.599731,617.773071,620.460205,621.527466,622.570068,623.583008,624.54834,625.431396,628.264771,640.398926,641.606689,643.552124,657.473267,663.958374,666.430847,671.684204,673.637146,674.665833,675.519897,681.515137,692.608765,697.719238,699.519043,700.434326,701.453857,702.338989,705.120728,712.659058,717.352173,720.406616,722.576172,742.607422,751.700195,758.616333,768.430542,769.566528,779.383057,786.547241,787.203613,787.952271,789.041992,797.551025,821.654663,825.538696,837.873535,838.510254,840.466187,848.424316,849.682861,866.615479,867.843872,883.784668,884.799316

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

SWXTUPVWUZCBPV

C50H78NO10P

C50H79NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413526

91.054184,93.06987,95.049164,95.085442,97.064392,98.983704,99.080704,105.069839,105.829262,107.085495,109.064484,109.101059,117.069801,119.085388,121.101151,123.080368,123.11705,125.096298,129.069427,131.085266,133.101013,135.116806,137.133255,141.06929,141.21965,143.085571,145.101135,147.116547,149.096725,149.132217,157.100815,159.116821,161.132294,163.147903,166.788223,169.101181,171.11676,173.131836,175.148407,175.743378,183.114807,185.13179,187.148148,189.163376,195.118164,195.447235,199.14856,201.162949,203.178818,211.147125,213.163437,215.179291,217.155746,268.412262,271.272186,275.94519,283.019409,284.022766,285.021698,297.258209,315.267975,371.292114,385.272827,389.142303,389.304199,398.269897,402.300446,443.263947,480.67926,699.534119,786.570435

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

SWXTUPVWUZCBPV

C50H78NO10P

C50H79NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413527

185.119217,197.110031,201.186615,203.158752,207.121674,209.051514,213.082489,215.0755,216.003571,217.012054,219.225037,224.022583,227.131866,229.199768,237.302856,241.470734,260.080139,263.408539,267.16684,269.182922,273.300598,275.405457,277.252686,280.231476,283.08728,283.984406,287.375305,289.586334,291.232025,293.222778,294.439331,297.33374,301.407593,311.269897,312.163513,313.086548,315.218811,333.254517,353.364105,356.32666,363.360168,367.295715,371.332825,380.258209,384.265625,385.204895,386.238892,387.364258,389.270935,391.283386,392.044067,397.373627,398.23053,399.240173,402.349213,411.493744,413.401917,414.343262,416.373108,417.010071,426.17691,441.307953,443.337952,447.341522,448.240753,453.308838,454.296295,458.300903,469.388519,472.245453,474.352173,476.549286,478.509003,481.316254,487.375458,490.185059,491.387787,495.599609,501.394104,506.372559,507.483673,509.349121,515.972168,526.444092,529.603638,534.02417,535.616577,538.318848,549.703125,552.333069,556.331482,556.958008,559.611328,563.688721,565.583191,570.403076,574.32605,575.085449,578.268188,581.499023,591.371826,601.412109,607.601318,615.434509,619.714722,622.668091,623.601562,624.387329,625.562622,631.497681,636.328735,638.701538,643.645508,664.358154,666.608643,681.589722,698.438965,699.536987,700.428101,701.198853,717.609253,730.871094,740.686768,741.579834,743.607788,758.555786,762.386841,768.564697,785.548706,786.562134,787.527832,797.553223,798.282837,804.643799,808.797363,812.784424,822.664551,856.902832,866.727661,884.33606,885.796753

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

SWXTUPVWUZCBPV

C50H78NO10P

C50H79NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413528

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

SWXTUPVWUZCBPV

C50H78NO10P

C50H79NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413529

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

SWXTUPVWUZCBPV

C50H78NO10P

C50H79NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413530

91.054062,93.069687,95.085312,95.858284,105.069603,106.048615,107.085258,108.154495,109.065498,109.100769,111.933586,117.069557,119.085327,121.100647,129.06955,131.085144,133.100845,135.116455,143.085388,145.100571,147.116653,150.263107,157.100037,159.116653,161.131775,169.101013,171.116714,173.019653,173.131485,175.147552,183.116776,183.167419,185.132278,199.147232,201.163147,203.179016,207.254028,213.16452,217.446671,217.965912,227.180145,257.988861,277.491974,283.018066,284.019867,285.021149,293.222382,297.832489,315.267609,343.07132,369.912415,385.272736,389.303864,398.269073,402.300415,447.339935,597.165344,624.489624,639.727966,663.560364,699.532166,726.747375,764.358215,852.744568

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

SWXTUPVWUZCBPV

C50H78NO10P

C50H79NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413531

184.192398,185.272125,187.071457,193.006561,195.005417,197.279388,199.053284,201.133957,203.081085,204.911911,207.271698,215.068726,217.082764,219.07901,222.945404,223.947525,231.323517,237.21228,239.130096,243.276901,245.257843,249.166626,250.191528,251.123657,253.285645,255.266113,257.150116,259.19989,260.009033,265.332581,266.179382,267.184387,269.236755,275.106842,281.246887,283.053345,284.04303,285.06427,286.098907,287.488678,289.056213,291.227844,293.319092,297.203369,305.185608,309.377045,311.33667,313.497681,315.382874,317.437073,321.191925,326.227081,329.329559,333.203857,335.489014,341.326294,353.297241,356.453735,367.294373,371.33371,373.508606,380.534668,383.339539,385.291656,386.380096,387.410248,388.379639,389.360474,397.44873,398.301056,399.195251,401.372528,402.279175,407.576691,410.278717,414.389648,415.973694,417.52417,423.348572,424.216797,425.575897,426.351562,430.495178,432.466431,436.213501,443.310455,444.423035,448.350891,449.466064,454.241455,458.541779,460.66156,464.284027,469.249451,470.587524,471.339783,472.448242,476.313141,478.401398,482.338959,483.242767,496.190216,499.103119,500.344482,507.600311,511.690308,514.435181,523.432556,528.461792,533.577576,534.380615,536.260986,538.279541,543.414307,549.527466,552.327942,555.620972,556.357788,558.039673,563.144043,570.418213,574.292175,577.694092,579.430786,589.36261,591.844543,599.358398,600.395142,601.586914,607.541687,616.812988,621.776978,622.716675,623.595825,624.676147,625.546509,629.46814,631.510254,633.330505,641.726929,642.788696,643.618774,645.51593,654.685791,664.588562,667.835144,684.70874,692.16333,697.574707,699.534424,700.374878,701.771118,702.469238,704.498413,711.679443,739.398193,742.650513,758.626099,768.598267,779.777832,786.54187,787.641113,797.593872,802.640869,806.60791,816.427612,820.835327,840.391846,842.53125,856.721191,865.724121,866.763184,867.843018,885.415039

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

SWXTUPVWUZCBPV

C50H78NO10P

C50H79NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413532

91.054161,93.069786,95.085297,98.282677,99.080414,99.15638,105.069679,107.085297,107.616608,109.100952,115.114647,116.774475,117.069855,119.085342,121.100967,129.069382,131.085312,133.100937,135.116364,138.119171,143.085983,145.100861,147.11676,149.094788,149.133102,150.371765,157.101456,159.116516,161.131805,162.126389,169.100525,171.117477,173.132599,175.146805,179.727478,185.131134,187.147675,190.721252,197.13208,199.148758,201.163132,203.179413,213.162735,283.017365,292.442108,297.262085,314.180054,315.266785,359.322998,385.27298,389.305573,398.269196,399.268524,564.310791,699.533569

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

SWXTUPVWUZCBPV

C50H78NO10P

C50H79NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413533

184.989029,187.053314,197.2323,198.957916,201.339706,203.12326,207.895325,209.119873,211.127777,213.06076,215.175827,217.152557,221.107071,223.250366,228.835968,231.299042,239.01651,240.207336,240.950562,241.60054,243.208786,247.104263,249.337494,251.366028,253.244354,257.283081,266.213745,271.324463,273.230011,277.240295,283.029358,283.996246,284.925049,286.301727,293.176086,294.215271,297.229675,299.529419,303.25293,309.267578,311.309814,313.293823,314.348877,315.239075,317.058807,319.373291,323.280151,325.299835,343.405884,349.889709,353.30957,355.521912,361.373047,362.300629,363.467255,364.533691,366.128296,367.324646,370.426361,371.246124,373.397461,375.301086,380.034302,383.213379,384.46582,385.28891,389.291138,391.342957,398.317444,399.271973,400.063965,401.28894,402.39093,410.211853,414.351562,415.292053,416.333008,420.329224,425.241302,432.658112,435.375671,442.4216,450.167755,454.359314,455.32547,457.463623,458.301819,459.118744,465.430481,466.278473,467.378906,469.381378,470.01059,472.243561,476.369415,478.144226,482.313721,483.171783,485.447876,487.411835,491.472046,496.300476,497.27298,500.33197,501.555206,527.730713,531.319641,538.336182,540.468262,551.217407,552.311523,556.276733,565.468018,570.359802,572.383789,574.402466,575.277832,576.060547,579.596252,583.474609,591.491821,592.430176,598.505554,599.578857,600.617249,601.559326,602.381226,603.576172,604.839966,607.569946,615.285156,619.847107,621.520386,622.608398,623.636108,624.582703,630.554626,640.408203,641.464355,643.562988,650.56665,656.351562,664.400024,671.646545,678.065552,697.48999,699.517944,700.15979,700.987671,701.661621,702.7854,704.71582,717.469604,724.397217,728.402466,730.498901,734.556519,740.584839,741.802368,742.552124,744.683472,757.678467,769.560791,776.48999,786.590088,787.345947,788.607666,795.942139,797.549927,802.280029,804.55542,824.469727,825.352295,848.711304,849.577271,852.480347,856.748535,866.597656,867.578735,883.407471,884.540405

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

SWXTUPVWUZCBPV

C50H78NO10P

C50H79NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413534

91.0541,93.06971,95.049011,95.085403,105.069794,106.048576,107.085411,109.064308,109.101059,111.3722,117.069656,119.08532,121.101112,123.116371,129.069748,131.08522,133.100952,135.116669,142.049469,143.085037,144.06485,145.100723,147.116547,149.132477,155.085754,157.100662,159.116119,161.131744,163.148178,169.100327,171.116196,173.131836,175.1474,183.115707,185.131088,185.350632,187.370407,189.161224,192.326355,197.132355,199.147354,201.163437,203.178726,207.968063,213.163025,217.193619,275.361572,283.01767,285.021912,304.672577,306.546143,315.265747,320.198669,385.273499,389.304169,398.269379,402.299255,467.254883,512.335693,604.751221,699.533081,724.679382,738.098206,830.390076

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

SWXTUPVWUZCBPV

C50H78NO10P

C50H79NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413535

183.101562,187.023575,190.998322,195.675919,199.218918,203.050812,209.004227,211.130371,213.095581,215.234741,217.1698,219.177002,227.048141,229.268463,237.258545,239.107147,241.011261,241.991989,253.242935,257.085541,260.085388,262.07608,263.125854,267.167175,269.140106,271.174805,279.353271,282.950256,284.024353,285.125946,285.925842,287.181091,292.260712,293.226593,295.314819,297.25824,304.375061,309.330444,311.353943,312.052185,313.353271,314.177032,315.22821,317.274414,319.175415,328.18457,329.432953,338.427643,349.204041,361.19751,367.296082,368.292908,371.338013,373.273773,385.287415,387.365723,389.394043,391.296997,398.258484,400.323883,402.419403,405.251099,410.556122,414.475403,415.197021,415.880859,417.394379,420.291443,423.291595,426.075256,430.265015,443.493439,445.426117,447.366669,452.337585,453.235291,455.481384,458.407288,459.509216,467.416779,469.333649,472.198975,476.453308,481.466431,487.392975,500.307281,514.400146,515.299377,523.367065,533.490356,534.38031,537.619446,538.296143,549.371338,552.258301,554.306641,555.251343,556.373352,563.529602,565.648743,570.287292,570.928894,573.436523,574.483154,577.44574,579.302734,600.647217,601.756226,602.518066,605.385864,617.545654,619.56958,621.428467,622.605835,623.612793,624.555908,625.30188,636.56543,641.57074,642.612915,644.431335,650.56311,666.428101,667.375,678.308105,692.179932,699.544556,700.565186,701.6521,702.39209,703.771851,714.849731,718.626465,730.426636,740.631226,741.609375,742.671753,743.891113,754.480103,758.71814,762.462402,768.550293,770.011963,776.827637,786.578003,787.561401,796.117065,797.609375,798.357666,804.612915,816.558228,822.694214,824.61792,840.719849,848.506714,849.565918,866.625,867.667358,883.665771,884.629517,886.149658

0.00011601870211353069,0.00015450218728424537,0.00013589470633156633,0.0002711157381566191,0.0003103765604345162,9.374151606093763e-05,9.739266094592583e-05,0.000516998155547994,9.843878527132324e-05,0.0003001988986308394,0.0002346076973250657,0.00024478135777197124,0.00030177567347629286,0.00014221460417070033,0.0003547006828985288,0.00031654137137339687,0.00010464944508987538,0.00014426771700238737,0.00018642130937014258,7.515104087453673e-05,0.00028689120981815753,0.0002296119690707013,8.652195041930961e-05,0.0001616474090900767,0.00035280540789987537,0.00044200251540561433,0.0002049492927787325,0.002338655039971044,0.0010747332858652362,0.0013109803282715425,5.8367197884883296e-05,0.00013614108889403598,5.9685541964941704e-05,0.0020326481621793786,0.00015185144043557047,0.002126047910393636,4.7505142253734474e-05,0.0002319378165375162,0.000951466072020591,0.00012381419343093742,0.00012655431862504236,0.00010877054344330757,0.0009379470615534234,0.0001132091808397348,0.00014350195735027494,0.0005251818078939604,7.112070859198351e-05,0.00022463802761552192,0.00010006373331398445,8.007530372009566e-05,0.001506215415413912,0.00013641196015223606,0.0016315521692289506,0.0005655701497436363,0.005819632573023956,0.00030952207952252193,0.006806065398553876,0.0003556270705454431,0.002906249905662712,0.00029980609877445423,0.0010476515736455674,0.00036710396210479766,0.00024240360054684595,0.0002289116580813669,9.148556484341006e-05,9.89329086999705e-05,0.00015643274385394006,0.0001401115822590886,0.00011979116264376715,0.0001690229148624461,0.0002947704501212229,0.0002599394436210869,0.00013861095087925416,0.00048397759626368406,0.0001918407646342705,0.00024493019745589286,9.445457156773363e-05,0.0009725617692212272,0.00012526449401922663,7.107392312022466e-05,0.001507134844819088,0.0004389997423299092,0.0006500812565657794,0.0005572431693865559,0.0008604612682318063,0.0003616499411986586,0.00036481477903084936,0.00010516286918059609,7.866399184220937e-05,6.626857314440184e-05,0.00021142263480424924,9.650246204039926e-05,0.0002660574347628443,7.299252955946383e-05,0.0025593218386779893,0.0002458642935989401,0.00024357924427959756,0.0029678702311208005,0.00018149944439647234,0.00016498426603444658,0.0021345173164951073,8.519485337131395e-05,0.0003433353144483044,0.002935815607206886,0.0001345603960534106,0.00022534924426350755,0.0003753309771933237,0.0010352522222417176,0.000502078454451429,0.00010669035280268516,0.00039951729098094155,0.00019799184052374377,0.0013646958655481605,0.0041712330245557375,0.006640935038864665,0.005432703040468762,0.0006953237247341757,0.0006395725413327574,0.00013557939843726117,0.00021638110532730422,7.927989185671337e-05,0.0007419403206035013,8.968339494404237e-05,0.00036189939833305914,0.00014054770562904563,0.00017591330516252717,1.0,0.011954265494894752,0.00163965284736177,0.0002766506443322962,0.00021911086426134227,5.273795089679995e-05,0.00014540032653535324,0.0005267590093546578,0.00039514726998806965,0.00012992968372471273,0.0009135185087651887,8.837071454911986e-05,0.0001502211670577945,0.0002367181874552592,0.00046263730141953,0.00036575650521205374,0.00020276940656884806,0.00021115839814863694,0.02890738246493354,0.00011453527264491413,7.909978176576876e-05,0.004855225353143257,0.0006576283940640718,0.00028757230841064136,0.00010801206076846063,0.00013718088754512578,0.0001788774474923444,7.229381224776508e-05,0.00028195621784439317,0.000413188230414832,0.002902644619464642,0.00021232794177376168,0.00043381826481758175,0.0014317009335196608,0.00026146584354238374

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

SWXTUPVWUZCBPV

C50H78NO10P

C50H79NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413536

91.054146,93.069717,94.061768,95.049286,95.085434,95.703247,98.984634,105.069687,107.085365,109.101181,110.327034,116.179771,117.069679,119.085373,121.101036,121.54007,121.831551,123.116447,124.423737,125.095192,128.252975,129.069519,131.085281,133.101028,135.116501,137.095596,139.37114,143.084793,145.100861,147.116394,149.132065,157.101135,159.116867,161.132233,163.148636,169.099838,171.116425,173.132309,175.14772,185.100464,185.132629,187.147415,189.160294,199.147873,201.163559,203.178986,213.163544,217.194412,227.179321,260.054108,283.019135,284.028076,285.024017,297.258331,311.235535,323.594574,324.009094,332.177063,385.272766,389.304077,398.267578,402.296051,411.704468,429.589142,469.570374,568.273376,639.340332,671.356018,699.53302,747.210938,874.495117

0.34267035838868365,0.22542514934878344,0.017221628048598857,0.027830061752699572,0.17381625430157782,0.0187708565853682,0.024506618023301938,0.2556746664061819,0.15840203668502476,0.12079612515197306,0.01887040799230145,0.016177808010781686,0.16831847902018401,0.3352569411057792,0.15973680332262874,0.0190723132713546,0.022355970941698153,0.029627963900885887,0.01775439196835802,0.028749289333412864,0.017636734085416727,0.05768817199433322,0.3201965546404491,0.22796887419938502,0.11281168694854632,0.02293640839536742,0.022341700559370493,0.08855517375157573,0.1971010210724909,0.10442964492830699,0.04802587119618696,0.07769910250963412,0.10993022880763491,0.0952476197881465,0.03166500812830585,0.03062301805423991,0.07325255526427638,0.06840239563273125,0.05938296429904229,0.017771273979200416,0.06937082460314614,0.05034474391054125,0.028529070868686248,0.05777856496459716,0.09182321668522503,0.12331239056556025,0.024133899933806876,0.023214718809657905,0.0299734916727564,0.018679037330437857,0.10192593489224919,0.03888434772253774,0.03455607852920087,0.05493408312238952,0.027821283746791266,0.01951121504985264,0.02015885763569027,0.020342271117809705,0.11750885276810855,0.16021927101696762,0.06638879120713709,0.03275253232932393,0.01684753381866687,0.0221190796208769,0.019865485393979296,0.022908726335610745,0.018272809628070576,0.025526626366278796,1.0,0.01963951886135461,0.021509066531475753

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

SWXTUPVWUZCBPV

C50H78NO10P

C50H79NO10P

[M+H]+

Orbitrap

train

MassSpecGymID0413538

91.810677,93.069817,95.085396,97.065018,97.101143,100.950806,107.085266,109.100883,111.079765,111.116722,121.10096,123.11657,125.953171,133.086075,135.116562,137.132858,139.110764,149.131927,151.149155,163.146744,165.163071,177.161835,177.297516,189.366989,192.161392,198.220978,199.142426,211.205231,220.207397,241.059784,247.241333,252.267929,263.769653,263.779724,264.184296,264.196808,264.209656,264.268005,264.327118,264.339355,265.251556,282.278534,294.278687,300.288971,319.178345,324.289642,340.284119,342.300903,421.770233,471.019623,516.518555,534.523499,546.523865,563.446472,563.517944,564.603149,565.244812,565.610046

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

JBRSKTLYZLNAAE

C36H69NO3

C36H70NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413540

91.053741,93.069595,93.816147,95.085335,95.606056,97.064796,97.100929,107.085159,109.100792,111.08007,111.116776,121.100845,123.116364,125.132057,128.421188,135.116379,137.13208,149.132034,149.975845,151.14798,153.590103,163.147797,165.163422,175.450546,180.973221,191.178513,198.220657,211.204712,224.100922,232.527588,240.265594,247.240906,252.2677,262.254669,264.21048,264.222809,264.267761,264.313934,264.326508,264.405518,264.417236,265.251831,272.234619,272.624786,282.27832,294.278137,299.5,300.28891,312.289673,324.2901,340.283813,342.297211,445.41745,492.448425,516.513672,518.529358,528.505127,534.523315,546.522949,563.516113,564.599548,565.609741

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

JBRSKTLYZLNAAE

C36H69NO3

C36H70NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413542

90.529533,91.055038,93.069794,95.085396,97.064568,97.101044,100.075371,101.842987,105.212311,107.08532,109.100922,111.079742,111.116898,121.101006,123.116501,125.132172,135.116531,137.132217,140.59523,145.972672,149.13208,151.148071,163.147644,165.16304,177.163223,197.743073,198.22052,211.205505,247.241257,252.268005,258.816193,264.210083,264.223053,264.268036,264.302124,264.313477,264.326813,264.339447,265.252075,276.265747,281.888824,281.908752,282.187103,282.199097,282.278595,290.24823,294.278381,300.289215,306.27832,324.288879,340.283386,389.866974,453.527069,492.448334,500.512787,516.514099,518.52655,528.524963,534.523804,546.523743,564.396729,564.427673,564.603516,565.610229

0.0011955725519207068,0.0011718441842358002,0.009565654282852831,0.02313409558273813,0.0028666029934575317,0.010478562542140812,0.0013277320100000265,0.0012052071259464727,0.0012182753566499689,0.00876887313878677,0.016969175131110792,0.0019003313642845276,0.006468166127172295,0.027887928149027352,0.010383277015595386,0.0022201543863086598,0.02344978973381542,0.0035327417782979576,0.0010627327189691351,0.001214673685873258,0.009827384852512581,0.0024496068391861507,0.0031030135362586446,0.0026144639329759587,0.0015745515482890485,0.0013201378147965877,0.0033314368310688805,0.0070903472146323174,0.015184667133362981,0.2952480554467311,0.0012426369229287095,0.008494222560285711,0.004330831313514964,1.0,0.002999984407025676,0.007959443359437178,0.005585987734553244,0.00721701154461527,0.009567386361731638,0.0022305117116286372,0.0011519941005693234,0.0012435080681915177,0.0017840285857899884,0.001825297713373899,0.23918650366063696,0.0019432907106445069,0.0046067616943804915,0.024749617022938333,0.0018229139057781166,0.009972992972946333,0.001906644303780505,0.001303707255959544,0.0014380793140056714,0.004193005022514016,0.0017247155547880368,0.005462137439937398,0.002720489778965466,0.0022070410637265617,0.01940859225749433,0.06880179112538966,0.001328143592910605,0.001627412137990782,0.10787139745256344,0.029867039767716746

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

JBRSKTLYZLNAAE

C36H69NO3

C36H70NO3

[M+H]+

Orbitrap

train