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Bowen999
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MassSpecGym_Lipid

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NAME stringclasses 171 values	identifier stringlengths 20 20	smiles stringclasses 189 values	inchikey stringclasses 171 values	formula stringclasses 151 values	precursor_formula stringclasses 171 values	parent_mass float64 74 900	precursor_mz float64 97 901	adduct stringclasses 2 values	instrument_type stringclasses 2 values	collision_energy float64 0 90 ⌀	fold stringclasses 2 values	simulation_challenge bool 2 classes	MS2 stringlengths 14 11k
PC 18:1/16:0	MassSpecGymID0004100	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C	RRVPPYNAZJRZFR	C42H82NO8P	C42H83NO8P	759.577824	760.5851	[M+H]+	QTOF	40	train	true	[[71.0736, 0.004004004004004004], [80.9731, 0.001001001001001001], [86.0967, 0.11711711711711711], [98.9835, 0.006006006006006006], [104.1074, 0.008008008008008008], [124.9995, 0.043043043043043044], [166.0621, 0.005005005005005005], [184.0735, 1.0], [185.0763, 0.01701701701701702], [522.3575, 0.001001001001001001]]
PC 18:1/16:0	MassSpecGymID0004101	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C	RRVPPYNAZJRZFR	C42H82NO8P	C42H82NNaO8P	759.577782	782.567	[M+Na]+	QTOF	40	train	false	[[71.0853, 0.042042042042042045], [81.0688, 0.07307307307307308], [83.0853, 0.06406406406406406], [86.0966, 0.3793793793793794], [95.0851, 0.05305305305305305], [97.1003, 0.02902902902902903], [107.0832, 0.011011011011011011], [109.1011, 0.06306306306306306], [121.1009, 0.024024024024024024], [123.1184, 0.013013013013013013], [135.1162, 0.021021021021021023], [146.9815, 1.0], [149.1323, 0.02002002002002002], [151.1485, 0.012012012012012012], [239.2396, 0.009009009009009009], [265.2536, 0.024024024024024024], [441.2366, 0.035035035035035036], [577.5207, 0.21421421421421422], [578.5304, 0.023023023023023025], [599.502, 0.2132132132132132], [600.5047, 0.02902902902902903], [723.4958, 0.014014014014014014]]
PC 18:1/16:0	MassSpecGymID0004102	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C	RRVPPYNAZJRZFR	C42H82NO8P	C42H83NO8P	759.577824	760.5851	[M+H]+	QTOF	10	train	true	[[86.0963, 0.015015015015015015], [98.9833, 0.001001001001001001], [104.1068, 0.001001001001001001], [124.9993, 0.004004004004004004], [184.0737, 0.5415415415415415], [185.0764, 0.008008008008008008], [243.9648, 0.001001001001001001], [478.3269, 0.001001001001001001], [522.3544, 0.001001001001001001], [760.5878, 1.0]]
PC 18:1/16:0	MassSpecGymID0004103	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C	RRVPPYNAZJRZFR	C42H82NO8P	C42H83NO8P	759.577824	760.5851	[M+H]+	QTOF	20	train	true	[[71.0733, 0.003003003003003003], [86.0969, 0.022022022022022022], [104.1078, 0.005005005005005005], [124.9998, 0.011011011011011011], [184.0738, 1.0], [185.0768, 0.018018018018018018], [355.0695, 0.003003003003003003], [522.3556, 0.003003003003003003], [760.5868, 0.2182182182182182]]
PC 18:1/16:0	MassSpecGymID0004104	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C	RRVPPYNAZJRZFR	C42H82NO8P	C42H82NNaO8P	759.577782	782.567	[M+Na]+	QTOF	20	train	false	[[71.0722, 0.007007007007007007], [85.1027, 0.006006006006006006], [86.0963, 0.08008008008008008], [87.0986, 0.008008008008008008], [93.0702, 0.005005005005005005], [101.0957, 0.006006006006006006], [109.1002, 0.006006006006006006], [146.9819, 0.24024024024024024], [175.1161, 0.006006006006006006], [225.0553, 0.005005005005005005], [265.2516, 0.007007007007007007], [441.2342, 0.01001001001001001], [467.2514, 0.007007007007007007], [577.5188, 0.09509509509509509], [578.5204, 0.01001001001001001], [599.5014, 0.25325325325325326], [600.5039, 0.04804804804804805], [723.4939, 0.3613613613613614], [724.4994, 0.08608608608608609], [782.5679, 1.0]]
PC 18:1/16:0	MassSpecGymID0004105	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C	RRVPPYNAZJRZFR	C42H82NO8P	C42H82NNaO8P	759.577782	782.567	[M+Na]+	QTOF	10	train	false	[[86.096, 0.007007007007007007], [146.9814, 0.024024024024024024], [577.518, 0.006006006006006006], [599.5015, 0.028028028028028028], [723.494, 0.07107107107107107], [724.4973, 0.016016016016016016], [782.5686, 1.0]]
PC 18:1/16:0	MassSpecGymID0004106	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C	RRVPPYNAZJRZFR	C42H82NO8P	C42H83NO8P	759.574724	760.582	[M+H]+	QTOF	null	train	false	[[79.054649, 0.0008960139487576888], [81.069122, 0.0015902229541014837], [83.084831, 0.0023570817390742805], [85.101456, 0.0009081222453625224], [86.0961, 0.23167611113801845], [87.099564, 0.011494809576855395], [91.055817, 0.00045204307324712224], [93.069374, 0.0010130608159377471], [95.08596, 0.0017879917986470997], [97.062897, 0.0005368011494809577], [97.099144, 0.0007184255985534622], [98.984184, 0.009569590416686848], [104.10672, 0.018586235288419625], [105.109055, 0.0009283027397039118], [109.099228, 0.00047625966645678953], [116.993629, 0.0007022812030803506], [121.104095, 0.000823364169128687], [124.999664, 0.18356581262814614], [126.003128, 0.004476033644920166], [127.004059, 0.0014651038891848695], [133.09938, 0.0005731260392954586], [143.010406, 0.00838701344828143], [163.018082, 0.001053421804620526], [166.062805, 0.003136048820651911], [183.512939, 0.0004318625789057329], [184.073364, 1.0], [184.251633, 0.000593306533636848], [184.272964, 0.000694209005343795], [184.329514, 0.0005650538415589028], [184.461517, 0.0007386060928948516], [185.076477, 0.056125990862272164], [186.077438, 0.008984356080786555], [186.505127, 0.0003915015902229541], [186.631348, 0.0004076459856960656], [339.290283, 0.000758786587236241], [478.324036, 0.00047625966645678953], [496.342255, 0.0004964401607981789], [522.361938, 0.000625595324583071], [625.520569, 0.0006982451042120728], [758.566284, 0.0008152919713921312], [759.573181, 0.0004116820845643435], [760.580505, 0.014493631035985858], [761.585754, 0.007906717682956362], [762.585327, 0.0017193781178863757], [763.593079, 0.0004641513698519559]]
PC 18:1/16:0	MassSpecGymID0004107	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C	RRVPPYNAZJRZFR	C42H82NO8P	C42H83NO8P	759.577724	760.585	[M+H]+	QTOF	null	train	false	[[76.234215, 0.0037485221434877636], [86.096542, 0.11776308454335012], [104.107437, 0.011561157789053426], [109.511314, 0.0038256503243019693], [124.999176, 0.048764312354441], [130.187378, 0.004012255942696311], [147.669418, 0.0035801822965813323], [149.48175, 0.0039936269959697695], [159.668594, 0.0037356768511122352], [169.268799, 0.003686487747717681], [184.074112, 1.0], [185.07753, 0.05611931869565065], [205.450516, 0.004200257468038833], [286.378998, 0.0038995580484875937], [329.173706, 0.004293754525420493], [484.011292, 0.005030420137780879], [595.416199, 0.004164027600624731], [630.431824, 0.00616797345355808], [760.584656, 0.01435700751799769], [761.600403, 0.005144089992986313]]
PC 18:1/16:0	MassSpecGymID0004108	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C	RRVPPYNAZJRZFR	C42H82NO8P	C42H83NO8P	759.577724	760.585	[M+H]+	QTOF	null	train	false	[[86.096581, 0.10100397208972615], [87.10025, 0.005371041101636583], [88.291267, 0.001474770214889965], [98.98455, 0.0025404021579365655], [104.10743, 0.006999163869680361], [108.537292, 0.0017123131063143827], [124.999115, 0.048879432170912], [134.692841, 0.00156051182048238], [150.153137, 0.0014568820412280408], [184.074081, 1.0], [185.077744, 0.054842753800923794], [186.079956, 0.0031934516979688337], [229.385345, 0.0016198806350164422], [630.416748, 0.0032630768878214754], [760.58905, 0.017395968625856784], [761.600342, 0.007377396652174757]]
PC 18:1/16:0	MassSpecGymID0004109	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C	RRVPPYNAZJRZFR	C42H82NO8P	C42H83NO8P	759.576724	760.584	[M+H]+	QTOF	null	train	false	[[80.76123, 0.002674055227961942], [86.096573, 0.10012331671616459], [104.107361, 0.0037502760579021985], [124.999054, 0.03366154635407728], [136.785339, 0.0033806615191730254], [158.310791, 0.003351000277713104], [184.073959, 1.0], [184.648331, 0.0034109196815954768], [185.077774, 0.06654290361344027], [186.079819, 0.005929548359208165], [760.603943, 0.019425229153681882], [761.599792, 0.006685722891874432]]
CAR 14:0	MassSpecGymID0004880	CCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C	PSHXNVGSVNEJBD	C21H41NO4	C21H42NO4	371.303524	372.3108	[M+H]+	QTOF	10	train	true	[[71.0856, 0.002002002002002002], [81.0714, 0.003003003003003003], [83.0853, 0.001001001001001001], [85.0288, 0.33233233233233234], [95.0848, 0.011011011011011011], [97.101, 0.003003003003003003], [109.1015, 0.002002002002002002], [111.1178, 0.005005005005005005], [123.1177, 0.003003003003003003], [137.1311, 0.001001001001001001], [144.1021, 0.011011011011011011], [151.149, 0.001001001001001001], [211.2059, 0.008008008008008008], [313.2375, 0.055055055055055056], [314.2432, 0.004004004004004004], [372.3118, 1.0]]
CAR 14:0	MassSpecGymID0004881	CCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C	PSHXNVGSVNEJBD	C21H41NO4	C21H41NNaO4	371.303582	394.2928	[M+Na]+	QTOF	10	train	false	[[104.9921, 0.003003003003003003], [107.0108, 0.031031031031031032], [126.0522, 0.001001001001001001], [165.0665, 0.003003003003003003], [166.0835, 0.009009009009009009], [269.2272, 0.002002002002002002], [335.2198, 1.0], [336.2231, 0.05305305305305305], [337.271, 0.001001001001001001], [377.2657, 0.025025025025025027], [378.2642, 0.01001001001001001], [394.2932, 0.1991991991991992]]
CAR 14:0	MassSpecGymID0004882	CCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C	PSHXNVGSVNEJBD	C21H41NO4	C21H42NO4	371.303524	372.3108	[M+H]+	QTOF	40	train	true	[[71.0863, 0.01001001001001001], [81.07, 0.005005005005005005], [85.0281, 1.0], [95.0845, 0.011011011011011011], [144.1012, 0.01701701701701702]]
CAR 14:0	MassSpecGymID0004883	CCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C	PSHXNVGSVNEJBD	C21H41NO4	C21H42NO4	371.303524	372.3108	[M+H]+	QTOF	20	train	true	[[71.0853, 0.009009009009009009], [81.0699, 0.005005005005005005], [83.0867, 0.005005005005005005], [85.0284, 1.0], [95.0855, 0.013013013013013013], [97.1015, 0.007007007007007007], [109.1007, 0.008008008008008008], [111.1167, 0.004004004004004004], [144.1019, 0.023023023023023025], [211.205, 0.018018018018018018], [229.2188, 0.003003003003003003], [313.2376, 0.04004004004004004], [372.3109, 0.14414414414414414]]
CAR 14:0	MassSpecGymID0004884	CCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C	PSHXNVGSVNEJBD	C21H41NO4	C21H41NNaO4	371.303582	394.2928	[M+Na]+	QTOF	20	train	false	[[100.1128, 0.46346346346346345], [107.011, 0.2802802802802803], [125.0204, 0.08808808808808809], [139.1091, 0.05105105105105105], [166.0842, 0.3123123123123123], [232.1215, 0.11811811811811812], [293.1818, 0.06306306306306306], [335.2204, 1.0], [336.2215, 0.18018018018018017], [377.2634, 0.18018018018018017]]
PC 16:0/20:4	MassSpecGymID0006188	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562124	782.5694	[M+H]+	QTOF	20	train	true	[[86.0961, 0.023023023023023025], [98.9842, 0.002002002002002002], [104.1066, 0.003003003003003003], [125.0002, 0.013013013013013013], [166.0622, 0.001001001001001001], [181.0204, 0.001001001001001001], [184.0735, 1.0], [185.0762, 0.012012012012012012], [496.3394, 0.003003003003003003], [526.3246, 0.001001001001001001], [537.4865, 0.001001001001001001], [544.3392, 0.001001001001001001], [782.5704, 0.24124124124124124]]
PC 16:0/20:4	MassSpecGymID0006189	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562124	782.5694	[M+H]+	QTOF	40	train	true	[[71.0728, 0.006006006006006006], [80.9736, 0.001001001001001001], [86.0967, 0.12012012012012012], [87.0996, 0.001001001001001001], [98.9844, 0.005005005005005005], [104.1071, 0.008008008008008008], [124.9997, 0.043043043043043044], [166.0628, 0.005005005005005005], [184.0734, 1.0], [185.0765, 0.016016016016016016], [313.2778, 0.001001001001001001], [478.3274, 0.001001001001001001]]
PC 16:0/20:4	MassSpecGymID0006190	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H80NNaO8P	781.562182	804.5514	[M+Na]+	QTOF	10	train	false	[[71.0724, 0.001001001001001001], [86.0972, 0.008008008008008008], [146.9816, 0.01001001001001001], [237.0797, 0.044044044044044044], [238.0811, 0.004004004004004004], [311.0995, 0.003003003003003003], [385.1173, 0.001001001001001001], [548.3105, 0.001001001001001001], [599.5029, 0.003003003003003003], [600.5111, 0.001001001001001001], [621.4867, 0.05005005005005005], [622.4892, 0.005005005005005005], [745.4798, 0.08108108108108109], [746.4829, 0.011011011011011011], [804.5538, 1.0]]
PC 16:0/20:4	MassSpecGymID0006191	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562124	782.5694	[M+H]+	QTOF	10	train	true	[[86.0968, 0.008008008008008008], [104.107, 0.002002002002002002], [124.9999, 0.003003003003003003], [184.0733, 0.46546546546546547], [185.0761, 0.005005005005005005], [496.3375, 0.001001001001001001], [782.5708, 1.0]]
PC 16:0/20:4	MassSpecGymID0006192	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H80NNaO8P	781.562182	804.5514	[M+Na]+	QTOF	20	train	false	[[86.0965, 0.0980980980980981], [121.1022, 0.003003003003003003], [146.9814, 0.08808808808808809], [237.0795, 0.13213213213213212], [238.0808, 0.015015015015015015], [311.0991, 0.006006006006006006], [313.2735, 0.01001001001001001], [441.2392, 0.004004004004004004], [478.3293, 0.005005005005005005], [489.2375, 0.006006006006006006], [599.5055, 0.02902902902902903], [621.4871, 0.35435435435435436], [622.4888, 0.04704704704704705], [745.4798, 0.43243243243243246], [746.4831, 0.06706706706706707], [804.5542, 1.0]]
PC 16:0/20:4	MassSpecGymID0006193	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H80NNaO8P	781.562182	804.5514	[M+Na]+	QTOF	40	train	false	[[71.085, 0.05105105105105105], [79.0547, 0.03803803803803804], [81.0699, 0.06006006006006006], [83.0854, 0.035035035035035036], [86.0967, 0.4674674674674675], [91.0542, 0.03803803803803804], [93.0697, 0.03003003003003003], [95.085, 0.06106106106106106], [105.0693, 0.025025025025025027], [107.0849, 0.018018018018018018], [109.1018, 0.028028028028028028], [119.0857, 0.02002002002002002], [123.1163, 0.01901901901901902], [133.1014, 0.023023023023023025], [146.9819, 1.0], [203.1803, 0.026026026026026026], [207.069, 0.01901901901901902], [237.0794, 0.23823823823823823], [238.0822, 0.02002002002002002], [313.2745, 0.17717717717717718], [441.2381, 0.03903903903903904], [489.2376, 0.04804804804804805], [599.5037, 0.09109109109109109], [621.4864, 0.7587587587587588], [622.4901, 0.12512512512512514], [745.4779, 0.04604604604604605]]
PC 16:0/20:4	MassSpecGymID0006194	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[166.094345, 0.002181752197948144], [166.924545, 0.00018156795667061105], [184.016754, 1.0], [185.049164, 0.0015386510886837026], [422.536682, 0.0005972194449461169], [441.270752, 0.00017687328937909377], [470.527649, 0.00030273435561162834], [478.459351, 0.006322772211116725], [496.464478, 0.01670443943865467], [502.278625, 0.0008008058175345143], [520.507935, 0.0005043284605118193], [526.419617, 0.012587589978103605], [544.430664, 0.005969254124327583], [576.827148, 0.000433656560764104], [597.476746, 0.0005253800116330767], [598.643433, 0.0015045438110374762], [599.708252, 0.0047691023137936975], [642.766235, 0.0006507586203579872], [721.667725, 0.0007841282317835132], [722.616699, 0.007031652084958043], [723.520813, 0.004757901567133269], [765.175049, 0.0007757185307285065]]
PC 16:0/20:4	MassSpecGymID0006195	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[98.983932, 0.0047640650953251875], [104.106773, 0.0076322105396244445], [110.764236, 0.00048422047202355636], [112.687363, 0.0005091079596673526], [116.759811, 0.00046743394653761614], [123.424309, 0.0005099196086336683], [124.999786, 0.031863567959577045], [130.435989, 0.00048284758343445825], [166.062897, 0.0008510713066683678], [176.86293, 0.00048793312568890424], [182.989975, 0.0007197966336748381], [183.737137, 0.000966592943871491], [183.743134, 0.0006412583616516852], [183.759521, 0.0009165443853477352], [183.765976, 0.0007296296796614845], [183.774445, 0.0009215489128414113], [183.781479, 0.0008008610938846674], [183.789551, 0.0010138551005073717], [183.796799, 0.0009245040993918667], [183.804749, 0.0011292831977533493], [183.810944, 0.0008568858881464892], [183.81987, 0.0012577034953033216], [183.82663, 0.0009797929585658744], [183.834625, 0.0011388404088141706], [183.8423, 0.0012930487387569235], [183.848862, 0.0010847937450444286], [183.857788, 0.0016682571371037355], [183.862915, 0.0010602374000347207], [183.872101, 0.0013216710219172564], [183.88028, 0.001810474622574358], [183.886139, 0.0012497617949686318], [183.895386, 0.0018444175175302215], [183.900589, 0.0012342695357237799], [183.910385, 0.0021558240778493916], [183.917389, 0.001785472532071368], [183.924545, 0.001662130411810691], [183.932922, 0.0022789308940304874], [183.939804, 0.00195738524229496], [183.947525, 0.0021922128967783706], [183.955338, 0.0026568033511311985], [183.962845, 0.0026719875947028744], [183.969803, 0.0024109826428062035], [183.977966, 0.003091909303614972], [183.985413, 0.0032011547580355314], [183.992706, 0.003231814091505225], [184.000443, 0.0038632021131474233], [184.008286, 0.004695987159203435], [184.015228, 0.004263117346034904], [184.023071, 0.005096089284326372], [184.030838, 0.006335249729818377], [184.037918, 0.00590238366950598], [184.045303, 0.005698438080491787], [184.073105, 1.0], [184.099121, 0.005528233670404263], [184.106018, 0.006201707721871977], [184.113525, 0.0059600950911296744], [184.120987, 0.005360657385467154], [184.128632, 0.004898491651462295], [184.136124, 0.0042989773875346474], [184.143631, 0.003843780707370028], [184.15155, 0.003915751105873631], [184.158249, 0.0029491896859936634], [184.166626, 0.003325737947819616], [184.174042, 0.0029613005280466733], [184.181335, 0.0024990777506285825], [184.188995, 0.002367827799553817], [184.196762, 0.002365665403849592], [184.204208, 0.0022747179377348207], [184.211746, 0.0021036588146748614], [184.219406, 0.001955695143523149], [184.226501, 0.0016624661048038577], [184.234695, 0.0019833572584536897], [184.241791, 0.0016069793762962066], [184.24968, 0.0016545299399379693], [184.257202, 0.0015114377575179856], [184.264008, 0.0011831895985431088], [184.272507, 0.0015313769636264296], [184.2798, 0.0013915681550378005], [184.287552, 0.001343022333949386], [184.294785, 0.0012512560884656632], [184.302429, 0.0011490334475434535], [184.309875, 0.0010959334417214228], [184.3181, 0.0012900059230037376], [184.323532, 0.0007969951829659674], [184.333313, 0.001374160156576123], [184.339951, 0.0009205385501308084], [184.347397, 0.0008405774765319795], [184.355911, 0.001144886916801353], [184.362488, 0.0007911949561805709], [184.378448, 0.0009552278881716605], [184.385239, 0.0006965105835586809], [184.401413, 0.0010619850113207758], [184.408157, 0.0009001977884160609], [184.414825, 0.0005642502228896314], [184.424118, 0.0009270850323703957], [184.430191, 0.000627753474292131], [184.439194, 0.0009650397305331607], [184.444962, 0.0005398074956053754], [184.507416, 0.0010246121935135466], [184.514938, 0.0007077292309615987], [185.166031, 0.0011698493208447249], [198.690582, 0.0005529373318900589], [201.826599, 0.0005480094565009268], [235.54245, 0.0005604027947813851], [252.920959, 0.0005878751090069604], [273.620941, 0.0006094578784471395], [313.273682, 0.0011253591175645773], [340.503021, 0.0005398881351045501], [340.843109, 0.0005238370756054119], [414.913086, 0.0005106719155413543], [478.329254, 0.001821564500080173], [496.339905, 0.003986240252061273], [526.329224, 0.0019228897392854216], [599.503357, 0.0012254098868028107], [782.569153, 0.0023107113932821256]]
PC 16:0/20:4	MassSpecGymID0006196	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[166.055756, 0.004070393359658403], [179.904846, 0.00016387046262342518], [181.207092, 0.00014273609009316144], [184.053589, 1.0], [185.074341, 0.004132111728368104], [186.102402, 0.00019550273285782912], [188.636276, 0.0008121442651403197], [201.19519, 0.00016090499786572523], [269.274963, 0.00011803516890354628], [323.512695, 0.00015015841869258414], [324.354736, 0.0005023721042540393], [340.506866, 0.00026323311718225016], [345.27301, 0.0005789776770356262], [364.790527, 0.0001961175662787405], [392.412537, 0.00013520500955845166], [419.420532, 0.00046941704461409076], [421.393494, 0.0012440116070736769], [422.478882, 0.0012363723696648414], [443.322205, 0.0007353943088823867], [446.533325, 0.00020277708056570256], [455.260498, 0.00016340173024175766], [465.342529, 0.0002864748086548716], [470.411255, 0.0005403540692801084], [476.514832, 0.0002887405716475333], [478.433533, 0.004129449938648405], [494.341492, 0.0004437229212656883], [496.460999, 0.015496705785363806], [497.102966, 8.698376852346223e-05], [498.337097, 0.00036826935984435994], [500.596863, 0.00023191631050809827], [502.473267, 0.003741124632911785], [504.472839, 0.002626055494524846], [518.581177, 0.00071197797146693], [520.540649, 0.0016618193893579284], [526.416443, 0.012637057156582511], [527.424683, 4.6109292336474406e-05], [544.535034, 0.002274983145287056], [551.601562, 0.0003349798217352288], [575.602051, 0.0004161074987004169], [577.790771, 0.0006133984579688749], [597.631287, 0.003686417608400731], [598.723145, 0.01598095018983071], [599.610718, 0.008281869305747891], [601.934021, 0.0014248732883186846], [602.797485, 0.0001924206857009226], [620.017944, 0.0009156611859242114], [625.715698, 0.0005845679475602352], [626.663391, 0.0023675412980053334], [627.652893, 0.002080996997927711], [640.778687, 0.0025331091049710995], [641.547668, 0.0018568277120433673], [642.605042, 0.0011730879938239864], [652.334106, 0.0005157859549224266], [657.751465, 0.0003308655553411106], [658.674072, 0.000149082074768646], [659.562012, 0.00024005275758160605], [721.535461, 0.01157779013105715], [722.650146, 0.11224645801846325], [723.657227, 0.03706285227803895], [724.583679, 0.0002774338776320961], [736.825256, 0.0007346819485435512], [738.734253, 0.0008756789588683695], [739.601257, 0.0007361790998854676], [750.748596, 0.0002847236067693842], [760.267273, 0.00039279984559966076], [764.702759, 0.002885266642905544], [765.872009, 0.00032679551731861834], [781.842712, 0.0005397155145574444], [807.998779, 0.000556580593736925], [931.864075, 0.00015522678451432217], [937.955505, 0.0006005148879400093], [963.833069, 0.0009702253416600572], [964.849609, 0.00023432775078432836], [970.875854, 0.0002387292739380398], [1036.034424, 0.0001732782668843674], [1060.996948, 0.0008774972133274541], [1063.098755, 0.0009838910204087383], [1063.858643, 0.0010440969645400461], [1088.083008, 0.0006915672879777642], [1089.193115, 0.0003045695772163704]]
PC 16:0/20:4	MassSpecGymID0006197	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[98.983841, 0.003686268383543337], [104.106842, 0.0055030230490557015], [122.478157, 0.0005026699761401558], [123.471603, 0.0003558620343314026], [124.999779, 0.017828668963914034], [145.987061, 0.00035688817700218735], [146.982147, 0.0024567084696809167], [182.988541, 0.0007465080490688966], [183.001007, 0.0005588497397584076], [183.518723, 0.0005872753436574853], [183.525269, 0.0004641310072337623], [183.564011, 0.0007501152461581509], [183.570724, 0.000533971318127444], [183.639313, 0.0008142820563527985], [183.64476, 0.00047710773267026576], [183.669067, 0.0006612233110125931], [183.676788, 0.0006977255734875123], [183.683548, 0.0006936555186115501], [183.690628, 0.0005417211183491294], [183.707001, 0.0009660438321579072], [183.713638, 0.0006556790934522692], 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PC 16:0/20:4	MassSpecGymID0006199	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[95.908211, 0.0004155207695741428], [98.983856, 0.004162241294265606], [104.106773, 0.006684209347071634], [106.229774, 0.0003371294405628462], [107.754257, 0.0004605884386788742], [109.141418, 0.0004187162226232281], [110.844353, 0.000555569924091879], [113.126846, 0.0004133892409227866], [124.999748, 0.03195703190077694], [138.414841, 0.0003670171186575235], [156.833221, 0.00041319100262333317], [166.063599, 0.0007440717133457592], [171.668457, 0.0004574588048758667], [182.992004, 0.0012898110139127207], [183.496338, 0.0008592423378495451], [183.639435, 0.0008403194594647984], [183.661926, 0.0008702751591453374], [183.667999, 0.0005293525677269048], [183.692032, 0.0009164436905934769], [183.697205, 0.0005320872024542564], [183.714508, 0.0009120541800608069], [183.729507, 0.0009869359022663387], [183.736938, 0.0008631125426574248], [183.743179, 0.0006704748184026352], [183.751907, 0.0009509431202149206], [183.759003, 0.0007848200958291925], [183.774597, 0.0010307727989633758], [183.781235, 0.0007939773614765572], [183.789688, 0.001105516136284977], [183.796356, 0.000851782935411469], [183.804504, 0.001062242703583509], [183.812134, 0.0011671957621462756], [183.819321, 0.001119171523969402], [183.827011, 0.001162818071756794], [183.834656, 0.0012213064819788296], [183.841919, 0.00113179443329741], [183.849258, 0.0011067553556364039], [183.857544, 0.001631202062138077], [183.864227, 0.0012518134909722581], [183.872528, 0.001549555649683742], [183.87912, 0.0012495493759977806], [183.887604, 0.0017427367102410135], [183.894547, 0.0014888430453481854], [183.902435, 0.0017410639369583039], [183.910049, 0.0018642649548772769], [183.917267, 0.001773567992596626], [183.924957, 0.001967837732945851], [183.93277, 0.0022759362327736], [183.939941, 0.0020725104533956427], [183.947281, 0.002069983842033758], [183.955505, 0.0028819964560480938], [183.962448, 0.0024876283066284093], [183.970413, 0.0029204583098964426], [183.977463, 0.002754716262110535], [183.985672, 0.0037119500402280955], [183.99234, 0.003163912669649118], [184.000778, 0.004617748576772688], [184.007843, 0.0041774660847352365], [184.015442, 0.004610475397345219], [184.023239, 0.0055279125375204356], [184.030426, 0.005511909847816076], [184.038162, 0.006355780200960062], [184.045197, 0.005720509058543812], [184.073044, 1.0], [184.09906, 0.00638597464522371], [184.10585, 0.006185041131885921], [184.113693, 0.0064473073610335115], [184.120926, 0.005375281035724444], [184.128693, 0.005001700280763103], [184.135971, 0.004140098820750435], [184.143646, 0.003928085595835416], [184.15155, 0.004108744664324919], [184.158691, 0.003274354958104203], [184.166229, 0.002954043128060998], [184.17421, 0.003195205495142997], [184.181412, 0.002692211567952538], [184.188919, 0.0024109298507169977], [184.196747, 0.002525042182121255], [184.204391, 0.0024139401958633232], [184.211411, 0.001927918210118662], [184.219498, 0.0022178959843956554], [184.226791, 0.0018614469658347226], [184.234421, 0.0017465918610929459], [184.241959, 0.0016558064707599524], [184.249496, 0.001646009467740219], [184.257065, 0.0015544659155814044], [184.265106, 0.0018666841813534043], [184.270844, 0.0011382565947870645], [184.280457, 0.0018917262698056], [184.302673, 0.0013509747908835577], [184.310501, 0.0015450270852024326], [184.31636, 0.001017624227795844], [184.325378, 0.001262005242170166], [184.332626, 0.0010422906364140655], [184.340042, 0.000961770928929299], [184.348282, 0.0013216132206715432], [184.35553, 0.0010633233545989573], [184.362442, 0.0008649738806772228], [184.378403, 0.00102175481028622], [184.385086, 0.0007427598447144702], [184.393707, 0.0010478715281714852], [184.400818, 0.0007922148220120876], [184.407166, 0.0005639894901388639], [184.416641, 0.0012206777841741554], [185.076843, 0.0025286143186013777], [185.162521, 0.0011080328231870152], [254.500259, 0.0004395961431570388], [263.229767, 0.00044312060878023], [303.953278, 0.0005244285859955757], [313.272644, 0.0014270579302844708], [358.660767, 0.0004236586872617844], [370.312134, 0.00047725757259212923], [450.933228, 0.00041015247313150316], [471.906891, 0.0005399395131389892], [478.328369, 0.001957002676030461], [481.69754, 0.00044814486657586514], [496.34024, 0.003996580872374169], [526.331543, 0.0017287940707749567], [599.511658, 0.0013883325764516513], [745.384277, 0.00043480792581690263], [782.570679, 0.003560992538333447]]
PC 16:0/20:4	MassSpecGymID0006200	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[98.983894, 0.0070013859904011645], [104.106888, 0.008440582935234772], [114.792389, 0.00029120297370846564], [124.999794, 0.0405947069514], [126.002602, 0.0005847096467821207], [128.762177, 0.00036186576347660177], [146.981583, 0.0015453786803639278], [152.975037, 0.00034881990086344346], [156.165588, 0.0003676296883087227], [160.174011, 0.00034003700971054027], [166.063065, 0.0013804079835121814], [182.990524, 0.0014307740130152687], [183.407486, 0.000554853142262494], [183.460068, 0.0005385144975169979], [183.49794, 0.0004905049442103195], [183.505737, 0.0005081214351348018], [183.543091, 0.0005044525587865593], [183.550842, 0.00048591727608643365], [183.560013, 0.00042804374657761117], [183.565475, 0.0006315151121572956], [183.574615, 0.0004206001381043632], 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PC 16:0/20:4	MassSpecGymID0006202	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[90.300102, 0.0004683482543854903], [93.925484, 0.000422771780953262], [93.978996, 0.00048064178205287083], [98.983887, 0.004479203393020568], [104.106888, 0.006243043810394853], [106.158562, 0.0004774402143830002], [112.368385, 0.00046457099092211805], [116.158653, 0.0005457916862007233], [124.999832, 0.030169597938786114], [143.707672, 0.0005218395581666901], [144.472061, 0.00047585977101372885], [155.604782, 0.000559138056822433], [166.062408, 0.0010228475920020619], [172.374222, 0.0005140492417062438], [182.982407, 0.0005000425466591962], [182.993042, 0.0011584362453186624], [183.648056, 0.0008692806953484218], [183.695755, 0.000489438209720426], [183.700851, 0.000834495315608104], [183.715744, 0.0010645431398079931], [183.738205, 0.001255001443047534], [183.753998, 0.0007932412908942496], [183.761459, 0.0009085801667216471], [183.76947, 0.0008052011621527432], [183.776474, 0.0009485035428931814], [183.791351, 0.0012148066532153667], [183.800003, 0.0009290524386008089], [183.806717, 0.001127177140993709], [183.814377, 0.0009670334201966148], [183.821732, 0.0011197824396538734], [183.830536, 0.0009519223777965119], [183.836563, 0.0014113449179744158], [183.84523, 0.0010448211332021947], [183.8517, 0.00138589260021422], [183.860489, 0.0010830610855990222], [183.866806, 0.0015089203177462325], [183.87471, 0.0013612012861350961], [183.883179, 0.001202470484578422], [183.889404, 0.0016916746092170494], [183.897598, 0.0014858904393373722], [183.904648, 0.0017446310115877828], [183.9133, 0.001479852976769163], [183.919571, 0.0020817938263653626], [183.927887, 0.0017775074618060463], [183.934769, 0.0022191244815402437], [183.942856, 0.0019656424141243304], [183.950333, 0.0021612409296523786], [183.957504, 0.0025534470264889373], [183.965393, 0.0025625072543348734], [183.972488, 0.0030887779516788815], [183.980713, 0.0027233861840256506], [183.987976, 0.0031556969593197082], [183.99527, 0.003721814159703932], [184.002975, 0.003895250729727198], [184.010635, 0.004156632372251923], [184.018066, 0.004756648270036008], [184.025803, 0.005098143362813323], [184.033051, 0.0059571732350550645], [184.040863, 0.0059220686587622825], [184.047256, 0.0062123245789341705], [184.07338, 1.0], [184.101608, 0.00537679502778985], [184.108566, 0.005874083950190628], [184.115982, 0.005562866281745388], [184.123535, 0.0050063783858789275], [184.131165, 0.004472618557790264], [184.138443, 0.004409442865545764], [184.146225, 0.003661329082036057], [184.154816, 0.00292974102140281], [184.160812, 0.003771337693427888], [184.1689, 0.002944685874797023], [184.177017, 0.0023319632494430685], [184.183884, 0.00254365727141081], [184.19136, 0.0025534936162178922], [184.199295, 0.002111611944021182], [184.20668, 0.0020606632186656567], [184.214279, 0.001954628144226792], [184.221634, 0.0019761853321487812], [184.229492, 0.0016872690375746237], [184.236984, 0.0016189376789409779], [184.244308, 0.0016388933160654017], [184.253357, 0.0012490342059805922], [184.259216, 0.001646923342426924], [184.266968, 0.0015736765385942345], [184.275101, 0.0012388124162711856], [184.282639, 0.0012133857796721302], [184.289688, 0.0013034473901162036], [184.297211, 0.001291653821548028], [184.305496, 0.0010082723884726084], [184.312286, 0.0013037965859181413], [184.321121, 0.0009747704993562343], [184.327957, 0.0009086044274674146], [184.334854, 0.0012619112701762224], [184.34256, 0.0012303253558747329], [184.350754, 0.0008433550939525586], [184.357895, 0.000934393725422433], [184.372437, 0.0014360682767500215], [184.387817, 0.0009090733361725351], [184.396591, 0.0007880329552773371], [184.402756, 0.0010152564183121527], [184.457016, 0.000535516715974524], [184.463882, 0.0007241918251936097], [185.162674, 0.0013183949707149143], [221.918808, 0.0005845811134906879], [299.996826, 0.0005552446314943103], [452.937714, 0.000501336832474882], [478.332184, 0.0020020421853009637], [496.341095, 0.0033323502670187743], [526.330444, 0.0020759512453215716], [599.508118, 0.0015829550564262246], [748.858704, 0.0006119296338186157], [782.567627, 0.003045960841066958]]
PC 16:0/20:4	MassSpecGymID0006203	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[166.12619, 0.003702714341222727], [184.028763, 1.0], [185.121429, 0.0014949909150847502], [258.188049, 0.0002467597193467046], [419.325256, 0.00045281390850068217], [422.240723, 0.0007646430401928685], [478.415588, 0.005095467857276648], [496.36969, 0.016305193028746296], [497.496643, 0.0007280478292720896], [526.365723, 0.014600510995785163], [527.334961, 0.00028523873686453835], [543.360962, 0.0002535864044694077], [544.31488, 0.005078788380855338], [599.564941, 0.001376587997249493], [722.537537, 0.0005764270083738958], [723.381409, 0.0005121754405681496]]
PC 16:0/20:4	MassSpecGymID0006204	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[98.984138, 0.0052700066148853005], [101.766174, 0.0004137382971365115], [104.106972, 0.007324463166640814], [124.999992, 0.03138982965062016], [126.684151, 0.0004771899622952548], [166.062378, 0.001280519438002749], [182.990814, 0.0022446303289364185], [183.612823, 0.0004173837145390636], [183.618088, 0.0007306177837155596], [183.678131, 0.00094515208900339], [183.687958, 0.00048107988405318746], [183.693512, 0.0007563936740748323], [183.702377, 0.0005816518715161739], [183.708664, 0.0009173573601711353], [183.717102, 0.0006062377822028833], [183.72377, 0.000805893723357788], [183.740906, 0.0005769006365680497], [183.746399, 0.0008732950877518421], [183.75386, 0.0009964919513281776], [183.769608, 0.0007617923302416339], [183.776596, 0.0009298183546961296], [183.784836, 0.0008204924095939853], [183.791504, 0.001078121758771322], [183.799515, 0.0009859987453981992], [183.806564, 0.0011424128523358022], [183.821381, 0.0013357585636868496], [183.830292, 0.000950398384967395], [183.836624, 0.0013226725151577509], [183.845642, 0.0009895018020585871], [183.851715, 0.001423940824710491], [183.859894, 0.0012506421899219045], [183.866928, 0.0014797768480227043], [183.875061, 0.0012725680247939245], [183.882294, 0.0014672105960173668], [183.889679, 0.00159382964342336], [183.8974, 0.0015618678586588857], [183.905167, 0.0016213453522181383], [183.912033, 0.0020944540434276533], [183.920273, 0.001723101442477702], [183.927628, 0.001908315838043105], [183.934784, 0.002302569484420456], [183.942795, 0.0020793353852385605], [183.95018, 0.0022747625632633947], [183.957504, 0.0025994562774685533], [183.965607, 0.0024042022479988843], [183.972748, 0.0029038431922785045], [183.980148, 0.0032852006921642086], [183.987946, 0.003309550255950264], [183.995438, 0.003599299539256291], [184.00296, 0.0040158367205096945], [184.010483, 0.0043811752598911045], [184.018188, 0.004664415420612709], [184.025635, 0.0053006663646179295], [184.033157, 0.005978050177649926], [184.040573, 0.006282052025510955], [184.04747, 0.005200606498654096], [184.073517, 1.0], [184.101486, 0.005704391254505694], [184.108398, 0.006489076648149135], [184.116135, 0.005417162186137351], [184.123734, 0.004879853273654719], [184.130844, 0.005145440702347968], [184.138718, 0.004199800481779487], [184.146286, 0.003684444069397228], [184.153961, 0.003337081402508826], [184.161011, 0.0036038189446039592], [184.169632, 0.0025833918808185773], [184.176178, 0.0030019022889701476], [184.18396, 0.0026653014977303007], [184.191635, 0.002371834520218553], [184.19931, 0.0021946409200844343], [184.206375, 0.002458853686084402], [184.214767, 0.0017741797399638368], [184.221558, 0.0020140460999021593], [184.22998, 0.001596556513880784], [184.23645, 0.002011401330279403], [184.245926, 0.0012606151607552868], [184.251694, 0.0016573267447277846], [184.259933, 0.0014106689967285863], [184.266891, 0.0016382184771754178], [184.274719, 0.001447546656683355], [184.282196, 0.0013552525121901073], [184.291016, 0.0010290200213368982], [184.297165, 0.0012744754657668766], [184.304779, 0.0012714919424865493], [184.313034, 0.0010434359104155662], [184.319641, 0.0013596553448782956], [184.334549, 0.0014597139828381918], [184.343323, 0.0008865367419227149], [184.350006, 0.0010869661939862916], [184.364883, 0.0011254003489316348], [184.373474, 0.0008571069258478959], [184.380524, 0.0009569976781266446], [184.387924, 0.0010211560595513253], [184.39624, 0.0007314862895002413], [184.403427, 0.0007481696439919187], [184.411331, 0.0008097500942938612], [184.418289, 0.0009145408454262858], [184.426132, 0.0008479946103454529], [184.433456, 0.0007493557203662525], [184.441498, 0.0006072976811726556], [184.448471, 0.0007649537386637412], [184.457489, 0.0005532902434377041], [184.46347, 0.0008289093240096276], [184.480881, 0.0004917439579595898], [184.485992, 0.0008203104895821255], [184.50119, 0.0007379273894379917], [184.556442, 0.000409318316250484], [184.561829, 0.0006898025729930031], [184.655075, 0.0005221458268653782], [184.66777, 0.0005832767838689717], [185.077194, 0.001539344687585918], [185.165344, 0.0025999592327954598], [204.699615, 0.00046632212744982156], [238.693024, 0.0004636937165938019], [255.031738, 0.00045556446210048076], [255.878204, 0.00043250513573701524], [271.017242, 0.0004937312630457525], [286.769958, 0.0004660503877214022], [288.784821, 0.00045622657550912284], [313.275024, 0.0012242129137534016], [453.795471, 0.0005014658458450702], [478.330261, 0.0016546395212546233], [496.34079, 0.0041823754567669414], [526.332214, 0.0020147790428236157], [526.67627, 0.0004586631107499336], [599.509094, 0.0013137244013246433], [640.393738, 0.0004106235967213064], [663.884583, 0.00047542764507332565], [689.426331, 0.000450239179168935], [782.570068, 0.0032936651478751395]]
PC 16:0/20:4	MassSpecGymID0006205	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[166.08638, 0.003042061171999506], [179.115097, 0.00036741015336952474], [184.044983, 1.0], [185.051392, 0.003349108223144392], [186.266754, 0.0001774191324530971], [309.259155, 0.00028012910677840193], [343.265106, 0.0001455326494946362], [404.356262, 0.0004461707009688246], [420.30365, 0.00032486201206350854], [422.49408, 0.00111039062065171], [437.281677, 0.00037967827607425394], [446.160034, 0.00044867671700947416], [468.221619, 0.00041754002988776825], [470.452454, 0.00022586970991739187], [471.581116, 0.0014619566021588243], [478.321533, 0.0025783039925813475], [479.544434, 0.0004279431667825831], [494.281799, 0.00043304243361677066], [496.458313, 0.015872779581580353], [500.48175, 0.0018437432238981903], [502.276672, 0.00016305821920459913], [503.367859, 0.0002885468304709487], [504.231445, 0.0001627252780286644], [509.364258, 0.0007809665108512822], [518.516907, 0.0004774878624780067], [520.48175, 0.0027565950025210118], [521.423035, 0.0003256824035194874], [522.300781, 0.00023459804959766292], [523.633972, 0.0006392291488180394], [526.346863, 0.0057922082414997265], [527.378357, 0.0006588711787996341], [528.490601, 0.0010240765531323174], [529.521057, 0.0002859643942944514], [544.239197, 0.003895591886668789], [546.430847, 0.00064702530348929], [548.283325, 0.00019699017693540607], [549.447144, 0.0003923812407568592], [550.392456, 0.0005078351007744312], [551.271423, 0.0006276394738987597], [552.526428, 0.00027917008016681034], [553.440857, 0.00021586304825175687], [554.388367, 0.00043414323810877196], [594.584534, 0.0005849713224084932], [599.590881, 0.0027972897214224974], [601.602478, 0.0014013297387849132], [602.719055, 0.00024186153701105008], [617.329102, 0.0009534260701319535], [623.603943, 0.00092051744189489], [625.556641, 0.000714937199704675], [641.618652, 0.00045826282561931036], [654.341797, 0.0013424090962297778], [666.476685, 0.0002258250631847098], [680.420715, 0.0003438402457337511], [711.288147, 0.00022668112137886367], [722.539917, 0.001988138831917513], [723.630371, 0.0005032171554514661], [733.706726, 0.0002960423876145671], [739.62738, 0.00013689047330801846], [747.277161, 0.0009633966460294405], [757.500366, 0.000654795547533257], [759.599182, 0.0006680223925973801], [764.471069, 0.0005376937883816652], [765.685181, 0.0007694044117479607], [773.224548, 0.001218361405153249], [773.966614, 0.0003234210244645184], [781.708435, 0.004660675195748485], [782.672119, 0.0074868844256123866], [783.487488, 0.0007774775598062807]]
PC 16:0/20:4	MassSpecGymID0006206	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[91.391716, 0.0004821173581356626], [98.984161, 0.006684209924083354], [104.107216, 0.006475340000730178], [118.194572, 0.0005026062991407306], [125.000175, 0.0392609707651171], [136.185913, 0.0006278867719714082], [165.556839, 0.0004532841943190297], [166.06308, 0.0013751783598865291], [178.919952, 0.0005027011077327387], [183.355576, 0.0008989719690523198], [183.497757, 0.0008090360564283884], [183.738708, 0.0009992242299510811], [183.770126, 0.0006768143679016345], [183.776367, 0.001130150899351234], [183.791946, 0.0009776306489314597], [183.798996, 0.0013538082208344685], [183.814804, 0.0009209917127162333], [183.821823, 0.0012369248031562402], [183.837814, 0.0009926723428627774], [183.844116, 0.0016251180408050803], [183.852478, 0.0011584696056478314], [183.859482, 0.0014865210551755408], [183.867325, 0.0012805765236454344], [183.874832, 0.0014207152820748532], [183.881973, 0.0018139976348012716], [183.889969, 0.0014972481010697104], [183.897522, 0.001583620292342588], [183.904694, 0.0018621786844879972], [183.912521, 0.0018219775549903436], [183.919785, 0.0021469547530048845], [183.927719, 0.001924005010610981], [183.934875, 0.002421971745162338], [183.942444, 0.002467581954498691], [183.950409, 0.0022384224586302803], [183.957535, 0.002750808327162707], [183.965286, 0.0026726951872079094], [183.972641, 0.0031795439900127904], [183.980423, 0.003136101922598659], [183.987808, 0.003550858783851463], [183.995346, 0.0038878020530165236], [184.00293, 0.004148260955085017], [184.010574, 0.004472820675280268], [184.017853, 0.005568560587749427], [184.02565, 0.005529181767538855], [184.033173, 0.0059925821036546645], [184.040787, 0.006234654613818645], [184.047623, 0.006929845317610172], [184.073792, 1.0], [184.101501, 0.005366631765729012], [184.108536, 0.006539871704799733], [184.116135, 0.006153311658520816], [184.123398, 0.006117831532306154], [184.131332, 0.0046095699408119145], [184.138885, 0.004301766925380511], [184.146103, 0.004491638562467177], [184.153915, 0.0036330510169597834], [184.161301, 0.0036937340024757394], [184.168991, 0.003100650745592644], [184.176437, 0.0029473062812607363], [184.184158, 0.0026085081308728215], [184.19165, 0.0025684141133067414], [184.199081, 0.0026694355085298185], [184.206802, 0.002283647948528083], [184.214081, 0.0022950476820912044], [184.222534, 0.0016480106024777989], [184.229034, 0.0023206322136649963], [184.237091, 0.0018403912199710488], [184.244751, 0.0018294162776285698], [184.252365, 0.0016227001740257041], [184.259171, 0.00190905641122614], [184.267349, 0.001428158118593977], [184.27475, 0.0014863475124340852], [184.282272, 0.00145420797023371], [184.305695, 0.0009722568413601403], [184.312393, 0.0012602720956008662], [184.328033, 0.0011258626864800718], [184.334991, 0.0014116726219061447], [184.35965, 0.0007744970835794564], [184.365158, 0.0013761746691342929], [184.373779, 0.0007202603206260557], [184.380508, 0.0009682904215809347], [184.387924, 0.0012556392349952368], [184.464432, 0.0006764227159087328], [184.471176, 0.0008631083423123357], [185.322784, 0.00044921397641400955], [186.313171, 0.0004892127663159629], [193.511414, 0.0004627391518673049], [215.333466, 0.0005649174861664075], [240.936264, 0.0006179229562589185], [296.322693, 0.0005027435792721874], [361.875153, 0.0005035811250136128], [414.960663, 0.00041206679589877245], [457.697845, 0.0005525195768775788], [478.334503, 0.0011806340951989562], [490.103088, 0.000507766682612002], [496.341705, 0.0026657613992765003], [526.330811, 0.0014031242310900338], [553.139771, 0.0005758869433603593], [599.505127, 0.0015283949907620028], [644.443604, 0.0004322612551131947], [671.863708, 0.0006316285308698258], [782.570312, 0.0021342987769678214], [792.737488, 0.0005175386718066189]]
PC 16:0/20:4	MassSpecGymID0006207	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[166.168411, 0.0015216069391301174], [184.071823, 1.0], [184.800781, 0.007713408639558891], [313.415466, 0.0004604732072582284], [478.395569, 0.003259384333313977], [496.357666, 0.018751188121550647], [497.212036, 0.0003445913152213746], [526.414368, 0.012977253038942725], [527.204712, 0.0002629543456263002], [544.398987, 0.002685903794279046], [598.551208, 0.0006901895431276597], [599.687744, 0.001983984242590045], [722.736755, 0.002437536846775921], [723.573181, 0.0003619837289389822], [764.624573, 0.00021029692533270345], [781.9245, 0.0008813118053228629], [782.72113, 0.005032108969555053]]
PC 16:0/20:4	MassSpecGymID0006208	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[93.852509, 0.00039013933191600934], [98.984177, 0.006480147468553979], [103.563019, 0.00045464614755827014], [104.107132, 0.00701768029116219], [122.063591, 0.00044204672775599417], [125.000206, 0.03479067807339796], [126.689789, 0.0003784676983117209], [166.062775, 0.001044439907455229], [182.853699, 0.0004661370165676243], [182.860153, 0.0005029840971060842], [182.993027, 0.0016486155280888049], [183.72464, 0.0006655582562073926], [183.731171, 0.001037676035959598], [183.76181, 0.0009031472386230252], [183.768951, 0.001068249752717793], [183.792236, 0.0008826668046762173], [183.798981, 0.0012720595848562972], [183.807434, 0.0008916132089621513], [183.814178, 0.001219755050610843], [183.822464, 0.0010435896493326774], [183.829193, 0.0013995228560037243], [183.84494, 0.0011876859481690445], [183.851746, 0.001563334108118266], [183.859909, 0.0012354757305930077], [183.86731, 0.0013912829976243176], [183.874573, 0.0016826866672214715], [183.882156, 0.0016597470829961603], [183.889786, 0.0016465975159157258], [183.897415, 0.0016438391274032022], [183.904785, 0.0018544141063909594], [183.91243, 0.0018372001886891858], [183.920059, 0.0018807412983315097], [183.927597, 0.0020511533780497053], [183.934692, 0.0026549986820952115], [183.943039, 0.0020349852503178814], [183.949936, 0.002651358420115088], [183.957611, 0.0026710149756221553], [183.965668, 0.002498487554112368], [183.972382, 0.003672664016984106], [183.980392, 0.003146205022750891], [183.987961, 0.0033058986278874736], [183.995331, 0.0038999943233607548], [184.002914, 0.004230713117688288], [184.010452, 0.004612105067607252], [184.018082, 0.0049617570905666165], [184.025635, 0.005598460873821996], [184.033051, 0.006582350280379755], [184.040497, 0.006974580319625291], [184.047974, 0.00504871365395757], [184.073822, 1.0], [184.100967, 0.0070476347230511455], [184.108734, 0.006313515939714315], [184.116028, 0.006132725032221178], [184.123566, 0.005660171342400514], [184.13121, 0.004930112211013783], [184.138626, 0.004672153549044823], [184.146454, 0.0037872232601852502], [184.153778, 0.0038129743950319553], [184.161285, 0.0037243413457430895], [184.168793, 0.0034572068500840045], [184.177246, 0.0023825136081251736], [184.183716, 0.0032164684154610515], [184.191574, 0.0026600595537623704], [184.199539, 0.0020846123474438645], [184.206543, 0.002392427267447499], [184.214493, 0.0019894894934403243], [184.221786, 0.0021531741499269245], [184.229248, 0.0021546774562277585], [184.236923, 0.001873022992459581], [184.245026, 0.001494554958528486], [184.251785, 0.0019308515531085645], [184.259735, 0.0015796152724553139], [184.267319, 0.001478248018623501], [184.274582, 0.0016018234749404087], [184.282593, 0.0012794073669391292], [184.289841, 0.001407638535214684], [184.297409, 0.0013491584702365392], [184.305099, 0.0012178367845157708], [184.312668, 0.0011300476165813473], [184.320068, 0.001202462329480012], [184.327744, 0.0011487750434129298], [184.335663, 0.0011488882142659039], [184.342545, 0.001416271202509633], [184.365768, 0.0009662364987145552], [184.373032, 0.0009346543128608193], [184.380615, 0.00096250890857327], [184.395905, 0.0008462951289812857], [184.403259, 0.001012940619586916], [184.427155, 0.0006327039386777588], [184.433273, 0.0011988783173070016], [184.448196, 0.001004644175781022], [184.501328, 0.0008713351534979748], [185.077637, 0.004367426461531408], [185.163727, 0.0017104837377731874], [195.728989, 0.0004370288824926053], [251.552094, 0.000469580840528039], [313.278992, 0.0007557360943517414], [358.053955, 0.00042103430353917105], [358.703583, 0.0006018158136898303], [390.100739, 0.0004966974092366645], [440.914062, 0.0004520773168682843], [478.331268, 0.0017109080949099028], [496.342072, 0.0049306196675075456], [509.187561, 0.0004644659005796994], [526.333862, 0.0019387896225467071], [593.458618, 0.0005273068694582099], [597.238647, 0.0004689569912353102], [599.504211, 0.0010271419506621606], [706.650879, 0.0005125984175085769], [722.136169, 0.0005801895080756916], [782.570801, 0.0028042435163792736]]
PC 16:0/20:4	MassSpecGymID0006209	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[166.158691, 0.0020544457543265064], [184.081451, 1.0], [184.747421, 0.005347181128769798], [215.172867, 0.00017471322250083284], [422.067505, 0.00040579453297579453], [422.740662, 0.000371744667885091], [478.403503, 0.0035672013473880652], [496.39093, 0.011934746389672412], [509.599854, 0.00011221439245810451], [526.383179, 0.009500253078657376], [544.324524, 0.002285174113025815], [599.644897, 0.003405590936978253], [722.59436, 0.0015104164688726886], [723.457092, 0.0002243132056295957], [782.708008, 0.0008791482030718417]]
PC 16:0/20:4	MassSpecGymID0006210	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[98.984322, 0.006229179612345193], [101.960358, 0.0003206736629487962], [104.107239, 0.007971432561147695], [105.940849, 0.00031287701800094647], [120.65493, 0.0004327422873787524], [121.197655, 0.0003518519021515535], [125.00032, 0.03601119532557804], [152.524231, 0.00038635045849249184], [153.773254, 0.0003246813920770859], [166.063675, 0.0014483655948495451], [183.724289, 0.0008478123422855716], [183.731583, 0.0008954117256639818], [183.738831, 0.001049567672382277], [183.762054, 0.0008705084571257875], [183.768875, 0.0013212132192897605], [183.777832, 0.0006861185885821875], [183.784012, 0.001178044167246206], [183.807739, 0.0008789754768857275], [183.813965, 0.0014977273344365326], [183.822754, 0.0009491225736552257], [183.829239, 0.0014114012248482347], [183.837082, 0.00124649171650818], [183.844467, 0.0014038350903761122], [183.852341, 0.0013203743798442789], [183.859421, 0.0017743880162656744], [183.868225, 0.001185923785793868], [183.874313, 0.002031019181329351], [183.882599, 0.0014033351636300784], [183.889511, 0.0019932900200353796], [183.897247, 0.0018618458013323798], [183.905167, 0.0016321577890168082], [183.912308, 0.0019537609190266947], [183.919861, 0.0020847891254425575], [183.927734, 0.0019689145480150227], [183.934784, 0.0025587294452743335], [183.942673, 0.002302607056117811], [183.950195, 0.0024357779800986685], [183.957489, 0.002871365425349255], [183.965454, 0.002643743437868971], [183.972595, 0.0033676326872593486], [183.980179, 0.0035670826074552945], [183.988144, 0.003225686243453297], [183.995209, 0.0042782687334861225], [184.00296, 0.004317340526122444], [184.010437, 0.004706447701732817], [184.018021, 0.005155592875535256], [184.02562, 0.005696884872653061], [184.033127, 0.00641727534682267], [184.040573, 0.006840164754438488], [184.048248, 0.006032870228916398], [184.056702, 0.006279137297162092], [184.073959, 1.0], [184.100998, 0.00611283897909867], [184.108627, 0.0066635574688137175], [184.115952, 0.006501037640834054], [184.123642, 0.005546786418880043], [184.131195, 0.005018367815187476], [184.138733, 0.004696097234657249], [184.146149, 0.0044263084858675375], [184.154083, 0.0034792000626548275], [184.16124, 0.0037491605055131666], [184.168884, 0.0033508168399833936], [184.176804, 0.0026827153468705813], [184.183884, 0.0030202347611570485], [184.191696, 0.002575641717892148], [184.199265, 0.002468860416374163], [184.206528, 0.0027686398876301216], [184.214539, 0.0019625927886824687], [184.221848, 0.002083736787270743], [184.229309, 0.002069684319412133], [184.237228, 0.0017990696489178853], [184.244202, 0.002292756820931764], [184.252594, 0.0014424885312918966], [184.259476, 0.001741975268229425], [184.26712, 0.0016328549401698736], [184.275391, 0.001309044300461274], [184.281967, 0.001990206850243766], [184.291367, 0.0009103417861909094], [184.297073, 0.001526870978583152], [184.305145, 0.001304728350982594], [184.312302, 0.0014913719076059242], [184.320984, 0.00097038690439767], [184.327393, 0.0013830368154526562], [184.342941, 0.0010666815431304353], [184.35051, 0.0011208214228642572], [184.357925, 0.001081611603657363], [184.365372, 0.0011659083056288], [184.381821, 0.0007240895760895253], [184.388229, 0.0009150969388617309], [184.395386, 0.0012006557064833034], [184.4263, 0.0008593096911566442], [184.433395, 0.0009699295960253061], [184.502304, 0.0006046490918741048], [184.509171, 0.0009275603211550736], [184.571915, 0.0003243610168444673], [184.577209, 0.0006642707217782992], [184.614777, 0.0007294164659402974], [184.646591, 0.0005416816653505733], [184.654129, 0.0006744550890824992], [184.659653, 0.00061143939903079], [185.077667, 0.024685759819585762], [279.61731, 0.00035604665880868756], [308.781342, 0.00041075024027730503], [313.276764, 0.0011187217305309147], [478.3302, 0.0016905709998556403], [496.3414, 0.00426694628269029], [526.330017, 0.0020469848988508093], [599.49939, 0.0009681954655892668], [637.889526, 0.0003764212674292101], [782.573303, 0.0029680377300043037], [783.575317, 0.000954369109054448]]
PC 16:0/20:4	MassSpecGymID0006212	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[98.984161, 0.005173955985342511], [104.107094, 0.007879044068899844], [113.794388, 0.0004297426369770133], [120.235374, 0.0004367840197502441], [125.000153, 0.03214715348175649], [130.184113, 0.00041039713879111874], [166.062943, 0.0014669478542628464], [182.992905, 0.0016731809600294115], [183.596634, 0.0005956756977676257], [183.603333, 0.0007897998570111257], [183.739456, 0.0007681254218849821], [183.746246, 0.0012917588912259978], [183.783585, 0.0015953849926471475], [183.815018, 0.000873253226666747], [183.821808, 0.0011972501574535022], [183.844696, 0.0012182900700329071], [183.851929, 0.001419920297639855], [183.859802, 0.0012907291340208049], [183.866989, 0.0015354606569653211], [183.874969, 0.0013475144759284483], [183.882492, 0.0014476797644375067], [183.88945, 0.00202918238690469], [183.905457, 0.0014420343218500258], [183.912079, 0.002102012353696315], [183.920273, 0.001753217626354552], [183.927261, 0.002275143968250142], [183.935364, 0.001924651153855426], [183.942429, 0.002470771281083883], [183.949997, 0.002651188886946879], [183.957901, 0.0023575983745374334], [183.965195, 0.00279988469732766], [183.972488, 0.0033419746929280025], [183.980865, 0.002710580498668049], [183.987534, 0.0038790331450922724], [183.99588, 0.003356197867070069], [184.002655, 0.00479499064319379], [184.010498, 0.004650206874314437], [184.018204, 0.004773109879943588], [184.025467, 0.0059335753396174105], [184.033218, 0.006266641102445727], [184.040695, 0.006559215324067936], [184.048019, 0.006115870333650752], [184.073807, 1.0], [184.101166, 0.0062112570213714875], [184.108398, 0.006928368450235653], [184.115936, 0.006405989712033365], [184.123718, 0.005241951790600403], [184.131088, 0.005109590651028797], [184.138672, 0.004478058590783621], [184.146622, 0.003611510227697352], [184.153549, 0.0042582388110075815], [184.161545, 0.0032038386259808827], [184.16893, 0.0031615958854160388], [184.176392, 0.0030406307255819], [184.184265, 0.0025715535763792628], [184.191422, 0.002766856941816034], [184.199265, 0.00235505764756934], [184.206696, 0.002320309392365087], [184.21431, 0.002088423890442497], [184.221771, 0.002045758323188004], [184.229599, 0.0018045527416496907], [184.237076, 0.0018872883418112126], [184.244354, 0.002069215693217295], [184.251999, 0.0016209139309434554], [184.259735, 0.0014898947246296452], [184.267151, 0.0015395357080435386], [184.274765, 0.001477018192283121], [184.282333, 0.0013896665300562915], [184.289886, 0.001327045049782428], [184.297516, 0.001243090409198298], [184.305145, 0.0011856987959703957], [184.312378, 0.0013634747238160099], [184.320511, 0.001062779781312906], [184.328674, 0.0009361103221694531], [184.334732, 0.0017026712853027326], [184.344574, 0.0006749754779354154], [184.350052, 0.001156068721296754], [184.365936, 0.00084824335757163], [184.373184, 0.0012105558259302564], [184.380997, 0.0008255185418449633], [184.387772, 0.001025203955021034], [184.412354, 0.0005919390963826376], [184.417969, 0.001022000265938212], [184.427658, 0.000567575615349381], [184.433243, 0.0010544589475777776], [184.472565, 0.0005569925175684961], [184.478546, 0.0009337546407348031], [185.163864, 0.0017708895218837767], [277.7612, 0.0004621126568508094], [309.308868, 0.0004964962358065838], [313.272827, 0.0007990237882860621], [427.808258, 0.00047579482000578585], [465.615326, 0.000617904092359663], [476.721619, 0.0007026756171574595], [478.333221, 0.001872562860862333], [496.339813, 0.0045186955316353465], [526.329529, 0.0017321602921854847], [599.495972, 0.000803303660756259], [630.102966, 0.0006413624982672581], [782.575073, 0.0026545432492375938]]
PC 16:0/20:4	MassSpecGymID0006213	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[166.111862, 0.0023567286580740573], [167.274673, 0.00015022667386666355], [171.188766, 9.458119718690889e-05], [184.052475, 1.0], [185.051361, 0.15592513152633217], [186.078354, 0.02655853487390634], [250.18808, 0.0007683404430119892], [269.335724, 0.00020975317915579683], [282.590759, 0.00024399842731698623], [283.601929, 0.00016259358089864873], [309.328247, 0.00023143776030587964], [321.266937, 0.00019348521366061494], [339.588989, 0.0002767944544464048], [343.366974, 0.00014170827578817156], [392.081787, 0.00013546825660704036], [393.042969, 0.00017520733381215436], [394.143799, 0.00015020069616472858], [408.363037, 0.0005088202437319182], [420.290283, 0.0002743748922387499], [422.400208, 0.000256733669781125], [423.428162, 0.000410488391914644], [443.447937, 0.0002364887292818852], [446.257019, 0.0002078956139075932], [456.22876, 0.00024409224172044564], [464.426392, 0.00017309103038108708], [467.322021, 0.00015385898600986852], [468.617432, 0.00014042943072991204], [478.351868, 0.001549129097288013], [479.43103, 0.0008871849224426662], [480.589355, 0.00040467886182053123], [488.33197, 0.001141423347722718], [495.830872, 0.0015481194772293027], [496.448853, 0.004729197226798841], [497.4375, 0.008276005325734435], [498.400818, 0.002378714637600746], [502.327087, 0.0011603829521331052], [514.609131, 0.00028003616746570363], [517.40802, 0.00022302199316141748], [520.38385, 0.0046199212903129975], [520.987061, 0.0006306397573502032], [523.636353, 0.0007527227891571442], [524.354187, 0.0028264935215941557], [525.412537, 0.007064920417613965], [526.443604, 0.0016985533853953933], [527.373779, 0.00031710525836707885], [542.433655, 0.0007954139409055658], [543.454102, 0.004013748926206751], [544.429077, 0.0005926331572587532], [552.986755, 0.00018420548083849551], [580.298401, 0.00022301274547975637], [585.627563, 8.490255794388458e-05], [586.604858, 0.00024017068151365435], [593.276917, 0.0005131200626357292], [596.576172, 0.00029394951500806815], [597.521423, 0.0002895809563618656], [598.572205, 0.0034914335039619433], [599.508362, 0.0012490231826461687], [607.284668, 0.00029141194640741017], [608.332031, 0.00021894422385907808], [623.426758, 0.00036650947333578755], [624.666077, 0.00029902307358531204], [625.468872, 0.00010631068637259135], [633.465149, 0.0002705278498779431], [641.177551, 0.0012035991169041145], [642.204529, 0.001340680459116501], [657.731384, 0.0002776033414209526], [662.130981, 7.842594545047545e-05], [666.223511, 0.00010756315992162047], [667.614441, 0.0005320085950139667], [680.518188, 0.00018399469887851914], [681.40387, 0.00030721456068525863], [693.437744, 0.00024676182742710797], [705.539795, 0.00011788168849121519], [706.768372, 0.00017475304314799707], [720.719055, 0.0008133967674277232], [721.746338, 0.0018801027378730797], [722.539185, 0.007807291628942714], [723.511841, 0.010648596976213488], [726.847168, 0.00018963873824651785], [729.68988, 0.00018731554000507111], [734.546082, 0.00011175916646951547], [752.807373, 0.0010380103497479823], [763.421814, 0.00028207682594714794], [764.71283, 0.0006271035002381729], [765.460571, 0.00018324446542675364], [781.647949, 0.06342045957396246], [782.741089, 0.015903064405528154], [783.689453, 0.0006084208781520763]]
PC 16:0/20:4	MassSpecGymID0006214	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[92.183281, 0.0006270101422339293], [97.479576, 0.0007053113085337288], [98.984123, 0.009071538324568432], [104.106979, 0.006531653035909999], [114.630592, 0.0005776726159929512], [116.019608, 0.0005410676893510288], [125.000038, 0.039930118717592125], [126.003006, 0.0020654607923716196], [127.004211, 0.0011091809172599477], [131.691238, 0.000574764913379445], [132.56134, 0.0006517713954152353], [137.940048, 0.0006941206136351775], [157.898712, 0.000669816445103475], [179.780197, 0.0006720155851300612], [182.992081, 0.0021163595305328632], [183.497467, 0.001038432115088831], [183.799545, 0.0010458009975102156], [183.806519, 0.0013552914204665813], [183.822372, 0.0009439051246580767], [183.829102, 0.0015065278173707754], [183.837997, 0.0009244576404456437], [183.84407, 0.0016552577126524649], [183.853317, 0.0009011288023553178], [183.859253, 0.001532673097248957], [183.867401, 0.0012967170380467317], [183.874542, 0.0015462648818810613], [183.882492, 0.0014007148536675969], [183.889481, 0.0018131911858558134], [183.898682, 0.0012183035041798294], [183.904419, 0.002095943431850208], [183.912643, 0.0016737426981159298], [183.919815, 0.001989011350592974], [183.927567, 0.001946584542705484], [183.935028, 0.002123502118987754], [183.942703, 0.002195906092818921], [183.949783, 0.002801450333925847], [183.958832, 0.002016005442282129], [183.964691, 0.0034570452209952383], [183.973846, 0.00229456639447888], [183.97998, 0.0036430321817696194], [183.987762, 0.003583791389582201], [183.995697, 0.003338318754555139], [184.002838, 0.004212060239154394], [184.010468, 0.004573701152177717], [184.018112, 0.004848592473666921], [184.025543, 0.005594655271497033], [184.03331, 0.005833875862966681], [184.040466, 0.007039345253353227], [184.047729, 0.006156569761428909], [184.073669, 1.0], [184.101212, 0.006109406611467745], [184.108932, 0.005530124934255567], [184.115875, 0.006123520539095143], [184.123596, 0.005279715087111758], [184.131256, 0.004607193608468337], [184.138504, 0.0046400005872330235], [184.146744, 0.0033757206868244042], [184.153473, 0.0040116936021441], [184.161514, 0.003118256993408672], [184.169174, 0.0028271118460324626], [184.176102, 0.0032342931169584716], [184.185181, 0.0021024338814543287], [184.191116, 0.0030631053211392224], [184.199356, 0.002158603216764754], [184.206772, 0.0020701308173922653], [184.214066, 0.0021007791896994763], [184.222656, 0.001491838381486564], [184.229111, 0.0019095102390622937], [184.236969, 0.0017088489525405933], [184.244476, 0.0016680293469150925], [184.252213, 0.0016070115419164893], [184.259338, 0.0017072190847048638], [184.27417, 0.0016670962292198164], [184.29007, 0.0010997322178116298], [184.297104, 0.0012158103139093303], [184.327042, 0.00125245649397816], [184.349609, 0.0012326087084127701], [184.359299, 0.0006633234171755222], [184.365051, 0.0009967711327445038], [184.379944, 0.0014083859410372363], [185.007736, 0.0006653312209154179], [185.013351, 0.0008512537233484072], [185.04393, 0.0010582475215438506], [185.077179, 0.1638121026245583], [185.104294, 0.0008271490460533386], [185.117615, 0.001298167141844037], [185.124084, 0.0009048118645139701], [185.131973, 0.0007079010363766421], [185.164001, 0.002514709942866967], [185.177032, 0.0008636823189687195], [186.077927, 0.05002694324457912], [233.279526, 0.0007278319884812929], [247.325928, 0.0005596856090455008], [282.793579, 0.0005916036017449982], [283.19223, 0.0006329225050118042], [302.966095, 0.0008306970153899996], [361.759064, 0.0006617201722894044], [392.731079, 0.0006138047480896814], [399.549133, 0.0006100674210314646], [424.74057, 0.0006905222166757232], [480.340393, 0.0009277425595967224], [496.333588, 0.0007585114207735831], [497.344421, 0.0016568453674964925], [519.987, 0.0005532252601072664], [525.317444, 0.0011898650650997294], [526.319763, 0.0007416356763095929], [599.499329, 0.0015518589103278473], [684.691284, 0.0005814046665500059], [689.909363, 0.000569080943232299], [781.532104, 0.0008225279497499471], [782.568237, 0.004103309172292475]]
PC 16:0/20:4	MassSpecGymID0006215	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[166.202606, 0.0011415569269769643], [168.939453, 0.0005594581145388399], [173.232376, 0.00036650825965963514], [184.071167, 1.0], [185.222336, 0.0018804554372570583], [187.08844, 0.00015520722936177776], [191.135254, 0.0003157392122202471], [323.264404, 0.0003417634632060336], [355.352966, 0.000386854670976377], [357.061829, 0.0002898270268977549], [382.191528, 0.00012382030008811567], [384.425964, 0.00020019495130546865], [422.346436, 0.0005952189396347797], [453.547913, 0.00027800965932589235], [463.511841, 0.00012980461244562866], [470.884338, 0.0006525828334819796], [471.643738, 0.0002008483812403076], [478.442017, 0.007517687950087848], [486.525574, 0.0003595859676293418], [495.452637, 0.0003000053784789098], [496.43634, 0.01389063969675341], [497.122437, 0.000255686768339875], [500.5, 0.0026213618602181], [502.453003, 0.0010720259737153851], [504.509888, 0.0002416733188439322], [518.204224, 0.0014904308778457716], [519.392456, 0.0026021653977101465], [520.539062, 0.0016035880507384687], [521.438477, 0.0028004680414692104], [522.537292, 0.00110740008601278], [525.675232, 0.0004263804313091466], [526.423096, 0.010764635117376933], [527.172119, 0.0004554414397698189], [544.482971, 0.004272190392545669], [547.620789, 0.0003620260190720763], [548.497559, 0.0003589584817218719], [550.419312, 0.004844870968872528], [551.295837, 0.0008702138633963668], [552.463562, 0.0003198069520262277], [566.246033, 0.0005110813538230124], [579.562439, 0.00021091772502382255], [599.591553, 0.0016469988442290413], [601.605408, 0.0006334953424863136], [608.607971, 0.0007326943812543269], [612.595459, 0.00026640723958765], [618.169189, 0.0006860563453804829], [623.820618, 0.0004627728425574412], [624.48053, 0.000564918868837108], [628.706543, 9.298783079974979e-05], [632.547241, 0.0008206456533239651], [641.619385, 0.00017408704278909013], [653.84436, 0.0011421825755261066], [721.838989, 0.0002765492266477983], [722.501892, 0.0012045750024430764], [723.644226, 0.00027617600210455047], [741.85614, 0.0005445916590694209], [750.834473, 0.0007444807182520686], [752.224121, 0.0021572772229829775], [757.706909, 0.001092386150375574], [758.668518, 0.00020642720477845113], [759.658386, 0.0075776430205742075], [763.663879, 0.00043936818294085364], [764.339294, 0.00026739063532766705], [765.612915, 0.0006991002700372461], [773.3974, 0.002622143845859821], [774.142639, 0.0004999349090247857], [781.735229, 0.0050779260017953], [782.78717, 0.010878659840072307], [783.638855, 0.0011171585797747916]]
PC 16:0/20:4	MassSpecGymID0006216	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[90.139442, 0.00047990708825091326], [94.831688, 0.0004767045818925896], [98.984093, 0.007473383240518478], [102.785782, 0.0004759078525297555], [104.106995, 0.007433712322020518], [105.966911, 0.0005410999115609566], [125.000008, 0.043494452169093305], [148.519958, 0.000556361425901715], [166.062988, 0.0017396295693009654], [182.353912, 0.0007014642533315711], [182.99202, 0.0017708845019134506], [183.754745, 0.0006931711599118408], [183.761536, 0.0008419133395606804], [183.791977, 0.0009334991407630465], [183.798889, 0.0012862262159698706], [183.808746, 0.0007463949812405638], [183.814178, 0.0013534862249715424], [183.821899, 0.0010575915455727492], [183.829483, 0.001025855726628993], [183.837402, 0.001025225930351351], [183.844345, 0.0013209778045089324], [183.85199, 0.0013243302744319185], [183.860092, 0.001214625510511476], [183.866821, 0.0016205810583572663], [183.875, 0.0012649849431858775], [183.882858, 0.0013927075796219299], [183.889236, 0.0020898723429589308], [183.898849, 0.0012320343715618615], [183.904419, 0.0020490868900950652], [183.912659, 0.001645825672833288], [183.919922, 0.0018893032167283446], [183.927338, 0.0020962564980817867], [183.935196, 0.001945513955716776], [183.942871, 0.0020599784565645523], [183.949966, 0.002448808573377913], [183.957748, 0.0025262521550133117], [183.965012, 0.0029659200473540325], [183.9729, 0.0027754212669257624], [183.980423, 0.003034622061805526], [183.98764, 0.0037159660450333636], [183.995575, 0.0034864954738618122], [184.002914, 0.004017561013414396], [184.010544, 0.0043478725429960795], [184.018097, 0.004865063086716104], [184.025482, 0.005607737284245646], [184.033661, 0.005466837907545925], [184.040314, 0.0073750286185589225], [184.04776, 0.005422816409059302], [184.073578, 1.0], [184.101044, 0.006459805635183439], [184.108917, 0.005618161699672796], [184.115891, 0.006025194136649187], [184.12355, 0.005344047827781111], [184.131317, 0.004507973658054353], [184.138535, 0.004480956224310705], [184.146393, 0.00381157037705812], [184.153534, 0.003958686612335147], [184.161911, 0.002809606140396312], [184.168732, 0.0031393790072918306], [184.176376, 0.0029011319852258275], [184.184357, 0.0023979780652716456], [184.19136, 0.002674877982845624], [184.199203, 0.002255793223801087], [184.207016, 0.0019788290621532093], [184.213959, 0.002306768499417749], [184.222031, 0.0017970875464669628], [184.229538, 0.0017543981696303123], [184.236557, 0.002016773527583694], [184.251419, 0.0020975518465334037], [184.259933, 0.0015017982448228481], [184.267166, 0.0014386058217359416], [184.274979, 0.001273036539672844], [184.282089, 0.001478330955213111], [184.289642, 0.001443553640021242], [184.298553, 0.0009527513879065636], [184.304718, 0.0013101894356273307], [184.312531, 0.0011782168731633493], [184.320251, 0.001136562670418554], [184.327301, 0.0013345574515922004], [184.342056, 0.001362137239921938], [184.364807, 0.0014219223964510074], [184.380051, 0.001202250659497478], [184.395187, 0.0013478995987647707], [184.425262, 0.0013015759206471678], [185.077744, 0.0012102313258474193], [185.165131, 0.0021473019770635975], [258.116882, 0.0005113343681981416], [336.357025, 0.0005642927098663561], [440.398621, 0.0004700612336934002], [458.170197, 0.0005225543502721935], [478.328918, 0.001724124341395545], [496.339752, 0.0024961748384223735], [521.269409, 0.0008047947459587733], [526.329468, 0.001177437876260353], [599.501221, 0.0010694758444723068], [607.366699, 0.0006225658757757393], [633.709778, 0.0005528514343139917], [648.455688, 0.0006107052687761061], [780.535767, 0.0005889133420909121]]
PC 16:0/20:4	MassSpecGymID0006217	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[166.196136, 0.0033718365048324333], [184.05307, 1.0], [184.985901, 0.0013836873487504241], [281.435547, 0.0002669482633313997], [343.492371, 0.00038968350293086936], [422.444336, 0.0004264571136277341], [478.451538, 0.004872764538477206], [479.341309, 0.00011621246695323796], [479.952393, 0.00012889295753587315], [496.471252, 0.013493586700538738], [526.431335, 0.011217710694522216], [527.227234, 0.00025261514277492896], [544.419006, 0.00266202485942606], [598.676331, 0.0002523545205036791], [599.628479, 0.002005348230790916], [722.721924, 0.000898392707443393], [781.833008, 0.00028291882506742535], [782.754211, 0.008987204201969638]]
PC 16:0/20:4	MassSpecGymID0006218	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[90.324089, 0.00032554136877803317], [98.984077, 0.0074438010624713795], [104.107048, 0.00768833795610247], [119.083893, 0.00043459682163192996], [124.906036, 0.0004536738304586774], [125.000061, 0.038169917978338005], [131.634018, 0.0003690655074886912], [134.081223, 0.00033697038688864213], [136.8349, 0.0004640440050421726], [150.102432, 0.0003823442189641053], [153.836014, 0.00040660248002694175], [165.016724, 0.0003495990410897028], [166.062622, 0.0014327675899151269], [173.249252, 0.00031763851560304753], [182.991867, 0.0014046408621888043], [183.476334, 0.0003929080791985819], [183.483078, 0.0006744307404882255], [183.497299, 0.0007866952145150029], [183.536957, 0.0004087100425342305], [183.542953, 0.0006726036586115834], [183.62764, 0.00044462300706307246], 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PC 16:0/20:4	MassSpecGymID0006220	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[98.983627, 0.004639933759914768], [104.106583, 0.005737190026899598], [105.26989, 0.0005581257526249542], [109.645432, 0.0005860008133158758], [115.807533, 0.0005500305211480536], [124.999474, 0.028175287534027184], [152.276688, 0.0006059102468135828], [166.06218, 0.0007334873031140483], [171.940445, 0.0006859289279969809], [182.989182, 0.0013137831742905202], [183.496811, 0.0009427587937981357], [183.731308, 0.0006681356882177924], [183.737686, 0.001126425683822734], [183.747452, 0.0005397146037889543], [183.752716, 0.0011596096272484405], [183.844116, 0.0010620732625138353], [183.850815, 0.001626627594407461], [183.866425, 0.0012496554675904725], [183.873489, 0.0016116464332146744], [183.881775, 0.0012669482679788944], [183.888733, 0.0016427543506474082], [183.896179, 0.0018907042253537333], [183.903946, 0.0017175760010262806], [183.911423, 0.0017854566664518995], [183.919296, 0.0017904052191891461], [183.926254, 0.002336125208650211], [183.934113, 0.00208763062573203], [183.941635, 0.0022028743892364795], [183.94928, 0.0022936251592920965], [183.956497, 0.0027951265944741923], [183.964325, 0.002651215314131608], [183.971756, 0.00291294513805315], [183.979385, 0.003051159903147644], [183.986832, 0.003415204535654047], [183.99472, 0.003489248673313713], [184.001694, 0.004696153310215174], [184.009583, 0.00450446051304826], [184.01712, 0.004953401201162505], [184.024506, 0.005779701536544564], [184.032303, 0.005782910910559416], [184.039749, 0.006383822493263595], [184.046677, 0.006691930041718537], [184.072754, 1.0], [184.100418, 0.0057245835372855105], [184.107666, 0.006266948874658003], [184.114868, 0.0067317328415547], [184.122955, 0.004885283911325674], [184.130005, 0.005205026283368502], [184.137924, 0.004114960434351407], [184.145218, 0.004074688430527016], [184.152969, 0.0034831611545886937], [184.160294, 0.003523206870902644], [184.167999, 0.003083281957595742], [184.175537, 0.0028486484458521925], [184.183136, 0.0026362371865644683], [184.19072, 0.002460125426332151], [184.198029, 0.0026172701500762805], [184.205734, 0.002262061295989912], [184.213303, 0.0020164183414292914], [184.221741, 0.0015573575185409327], [184.228027, 0.002262131856348328], [184.243683, 0.0015424411875631357], [184.251404, 0.001404257994863995], [184.258606, 0.001576255567687348], [184.266052, 0.0016634549481222055], [184.274216, 0.0012904580227070337], [184.281113, 0.0017688784585771517], [184.297226, 0.0009498607866463864], [184.303848, 0.0012766987471783035], [184.311432, 0.0013497291973381133], [184.333633, 0.001668336872927592], [184.356537, 0.0011234933829062151], [184.410721, 0.0007231332965927944], [184.417786, 0.0007623605461837778], [184.424591, 0.0010373972389369941], [184.463409, 0.0007860351290559369], [184.470261, 0.0008180406690152999], [185.164688, 0.0015976991839228311], [187.544678, 0.0005210445838386117], [244.779388, 0.0005051624293856814], [297.709991, 0.0006012797775548289], [323.063354, 0.0005491210449653574], [365.051178, 0.0006583320640205808], [409.990784, 0.000619930303581167], [478.325867, 0.0014423448738894425], [496.340088, 0.003237398876613918], [522.903015, 0.0006028650829883634], [526.333862, 0.001719077656421502], [599.503845, 0.0018757519400385198], [628.163635, 0.0005306314708027769], [665.133423, 0.0006312108083915697], [782.567566, 0.003838197427855465]]
PC 16:0/20:4	MassSpecGymID0006222	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[98.983711, 0.005346496204327183], [104.106598, 0.00658542612234298], [104.886139, 0.0004356839593954618], [108.489159, 0.00037185176887465077], [124.999588, 0.031959258463415], [131.264877, 0.00032592342709699096], [157.379776, 0.0003704322620237093], [161.62326, 0.00041623856241090564], [163.621246, 0.0003695514511892687], [166.062729, 0.0011682344875924909], [173.990829, 0.00040211844002172384], [182.989059, 0.0004773082736611413], [183.474564, 0.0008245408145699355], [183.497726, 0.0005116712360066455], [183.504318, 0.0006481109987970466], [183.708908, 0.0006090415752382607], [183.71524, 0.0009452742493323313], [183.731781, 0.0006330428763212289], [183.737656, 0.0011560936593643214], [183.769043, 0.0007409266528666557], [183.775452, 0.0011722939151990086], [183.791718, 0.0008109113325528863], [183.798019, 0.0012755970026057687], [183.806366, 0.0010604417988403097], [183.813156, 0.0014043958810041385], [183.828735, 0.0011377939517889677], [183.835892, 0.0014192188864499576], [183.851349, 0.001199706243595457], [183.8591, 0.0012532414134207148], [183.865814, 0.0018504366259165124], [183.873947, 0.001459485010059662], [183.881302, 0.0016134146634022566], [183.888626, 0.0018454521363902713], [183.897049, 0.001439557985444884], [183.903473, 0.002283037008642095], [183.911835, 0.0016527439051028463], [183.919037, 0.0019825666728250386], [183.92627, 0.0024642932954580528], [183.934219, 0.0020915013203022708], [183.94162, 0.002312472475972704], [183.949188, 0.0024584067929914006], [183.956573, 0.002806165951365037], [183.964325, 0.002751405122514852], [183.971802, 0.0030542938281613347], [183.979233, 0.003422303583359331], [183.987061, 0.0034090081637924486], [183.994278, 0.004254308795104701], [184.001862, 0.004499974568110826], [184.009583, 0.004465537915518961], [184.017334, 0.004749262281366129], [184.024323, 0.006546362239404221], [184.032349, 0.0059803874603869605], [184.039658, 0.006751754649057139], [184.047028, 0.005794631008110064], [184.072906, 1.0], [184.100143, 0.006333046890862426], [184.107651, 0.006513464844930817], [184.114914, 0.0067371197291925065], [184.122971, 0.0049339156331330986], [184.130173, 0.0051278329015853686], [184.137512, 0.005273419710915966], [184.145477, 0.003816897676696927], [184.153122, 0.003340364757402377], [184.160248, 0.0037034633070083573], [184.167969, 0.0032650729024795272], [184.175705, 0.0028380335292627385], [184.182892, 0.0030648313487035305], [184.190689, 0.0025669157731006845], [184.198517, 0.002194168270654987], [184.205551, 0.002570493388389646], [184.213257, 0.0023125900848671456], [184.221054, 0.0019347998794474555], [184.228455, 0.001951323929116526], [184.23584, 0.0020298009756805515], [184.244339, 0.001462165635903704], [184.250717, 0.0021564916112211453], [184.258759, 0.0016666477586236373], [184.266312, 0.0015514471870202975], [184.273849, 0.001471555583225888], [184.281464, 0.0013804889182114984], [184.288788, 0.0014977392237251282], [184.296631, 0.00141981239766726], [184.304123, 0.0012040574771900682], [184.3116, 0.001234847145930232], [184.318863, 0.001476616311683702], [184.333862, 0.0014221892497839495], [184.341583, 0.0013765561122413333], [184.350266, 0.0008056319342913363], [184.356766, 0.0011167579166695665], [184.373016, 0.0008222303021437036], [184.379333, 0.0012220075347042453], [184.410461, 0.0007364848486033349], [184.417206, 0.0010510370765313864], [184.448502, 0.0006116474396494036], [184.455017, 0.0009516550489803339], [184.463806, 0.00054609289198697], [184.470215, 0.000869240468450387], [184.479492, 0.000508753028375842], [184.485229, 0.0010002591408564117], [184.540558, 0.0004528478398652612], [184.5457, 0.0008184082346991467], [184.653809, 0.0004013433442174002], [184.659653, 0.0007487528894673266], [185.076523, 0.009920404806079553], [185.167587, 0.0005883739913506613], [186.408875, 0.0006683304203993878], [251.147812, 0.0003977376564536348], [252.264343, 0.0004337734797351861], [270.563843, 0.00037910384949064736], [297.512085, 0.00038097657905980514], [313.274841, 0.0011705953088485689], [322.780792, 0.0003567601541699183], [324.144989, 0.0004012831361464391], [333.689392, 0.00039599165933323005], [351.160187, 0.00041362054557317], [356.871735, 0.0004764314890105871], [367.034027, 0.00038157308221192207], [384.59137, 0.00043073145771551036], [478.32782, 0.002275119684248179], [496.339447, 0.00455233771211302], [526.327698, 0.0025066054592313624], [599.504944, 0.001149933154768596], [605.408813, 0.00043284021769782237], [664.012024, 0.0003716889854582547], [664.088745, 0.0004181349319588457], [683.374146, 0.0004041122136697402], [782.567993, 0.003748353262718006]]
PC 16:0/20:4	MassSpecGymID0006223	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[166.062622, 0.0035006553917870365], [184.071686, 1.0], [185.200165, 0.001255996555036158], [187.336212, 0.000578395616983175], [264.350098, 0.00031842803340165264], [279.28302, 0.0003390037708864146], [283.345154, 0.00024779183438535993], [307.589325, 0.00019496358970869904], [327.369995, 0.00015912787448398738], [335.175903, 0.000102251852997762], [342.420959, 0.0006666729087201192], [363.394409, 0.0003240024238236733], [396.106628, 0.0006234889681710811], [419.436096, 0.0003313257793681196], [420.144592, 0.0002722187635932154], [422.427795, 0.0008558316920733869], [445.33429, 0.0001499728693157866], [465.464172, 0.0002165636915207027], [478.350525, 0.00841098816754249], [478.960388, 0.00017783785767275847], [494.425659, 0.0015385848571087487], [495.229675, 0.0006289346123815846], [496.385681, 0.011184622164630917], [500.359558, 0.00031249456137155603], [502.393188, 0.0018184504176129398], [509.548218, 0.00023674880379704412], [510.553955, 0.00024150529953458928], [518.637024, 0.0008920117506622688], [520.356812, 0.004233941200547751], [521.356323, 0.006310587986972157], [522.788757, 0.00022500707843425288], [526.357117, 0.007806504956833505], [529.463623, 0.00013845378539563183], [539.239563, 0.00030981780097649253], [544.433105, 0.002814364484456346], [549.500488, 0.00016240113375753324], [550.484314, 0.005691968228547479], [551.440674, 0.0002484545989856216], [554.817627, 0.00037442410387441823], [582.627502, 0.00018765916569358295], [599.594421, 0.0025883238658628532], [600.291077, 0.00013988729303811767], [616.44751, 0.00025911464462820456], [620.725891, 0.00017833537676020212], [623.586365, 0.0006095432659488764], [624.588196, 0.00034720604657261585], [641.924011, 0.0005717169804150315], [647.086304, 0.0005526146753748256], [655.283081, 0.0009042101682976917], [669.787354, 0.0005806444528691212], [716.619934, 0.0007667106855372341], [722.676758, 0.0008939021170202136], [723.70575, 0.002504878135578589], [724.653625, 0.0005353029837477472], [725.770569, 0.0005276705223964177], [729.83075, 0.0003492644074345917], [747.851929, 0.00029458084066882835], [755.711609, 0.0007872843505403393], [759.505737, 0.00983130812065662], [760.110657, 0.0002132164081419737], [764.802551, 0.004070859643142887], [765.68512, 0.0016971045870854628], [773.051025, 0.0006741109970638445], [773.896057, 0.00101054177123524], [781.746643, 0.005317964736436021], [782.767578, 0.015990214439603193], [784.227539, 0.0011568771721564976]]
PC 16:0/20:4	MassSpecGymID0006224	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[96.673264, 0.0004554938171790427], [98.983536, 0.005040063108336305], [104.106636, 0.007063868025155088], [106.810356, 0.0005348357770530039], [109.463554, 0.0004479684693390024], [111.206154, 0.0004626249516431468], [116.710503, 0.0005544115834075418], [124.999519, 0.035245072312400906], [127.759514, 0.0005258913333103215], [144.744736, 0.000443890279406185], [153.743744, 0.0005337742174194372], [160.562546, 0.0004782592827088728], [162.855835, 0.0006140472560023124], [166.061798, 0.001715737375086995], [182.988647, 0.0012089222537985166], [183.754181, 0.0006285824927217322], [183.760406, 0.0011160414423044903], [183.813736, 0.0010203534427816584], [183.820801, 0.0014218249734210403], [183.836288, 0.0010515546877422277], [183.843491, 0.0013366140414859415], [183.850937, 0.0014157014712844896], [183.859161, 0.0011658011306806678], [183.86586, 0.0016786328892259748], [183.874527, 0.001242096874743946], [183.880768, 0.001918068761807195], [183.895844, 0.0024496628653749935], [183.904099, 0.0014774077543756238], [183.911606, 0.0017038398595298852], [183.918762, 0.002194890795415267], [183.926666, 0.001952870370804437], [183.93396, 0.0022352880458076105], [183.942001, 0.0020631533063050584], [183.948883, 0.002918031222230906], [183.957092, 0.002244965274324789], [183.964218, 0.0027252302237442128], [183.971481, 0.0034276305093966816], [183.979645, 0.0029054237792305233], [183.98671, 0.00367948252320673], [183.994476, 0.0036455867608240827], [184.002029, 0.003977599473061442], [184.009567, 0.004519371487833392], [184.016815, 0.005590273244067837], [184.025406, 0.004768954003589434], [184.031723, 0.007382068489448428], [184.040024, 0.0057595195915591205], [184.046738, 0.005744597529735707], [184.072784, 1.0], [184.100464, 0.005771678992769726], [184.10733, 0.007426370801464983], [184.11554, 0.005290767575769878], [184.122421, 0.005965333856795354], [184.130249, 0.004799848308055598], [184.137741, 0.004396210912143155], [184.145325, 0.004037843947208062], [184.152832, 0.0037492087022678935], [184.1604, 0.0034148995776345087], [184.168091, 0.003059603730963848], [184.175262, 0.0033276902686388272], [184.183914, 0.0022349911985292087], [184.190201, 0.0030372449135548], [184.198517, 0.0021216761966341134], [184.20575, 0.0022566779531184907], [184.213333, 0.002143489078730935], [184.220581, 0.0023366563211315206], [184.229462, 0.0014461551219626205], [184.235703, 0.0020605972514326026], [184.243378, 0.0020483602739069964], [184.251801, 0.0012659909874376545], [184.258469, 0.001722764613057698], [184.266815, 0.0012560256190166943], [184.273315, 0.0018909015425084689], [184.282074, 0.0010946548332906984], [184.288635, 0.0014662697723041532], [184.304276, 0.001101948772099006], [184.311615, 0.0012299069971817757], [184.318802, 0.0014712295002912387], [184.327377, 0.000915357097671488], [184.334045, 0.0011834611822221328], [184.371567, 0.0016352355000198257], [184.386841, 0.0009593181671200689], [184.418503, 0.000593511412284907], [184.424728, 0.000951673288636864], [184.43367, 0.000593854304136523], [184.439743, 0.0009286552057575239], [185.167114, 0.0013698170280024937], [186.373215, 0.0005875842251585601], [202.945938, 0.0005337146829813531], [412.314972, 0.0006554919163418165], [478.329254, 0.002355003607335124], [496.339111, 0.0030768338152863113], [521.261414, 0.0011504072791663174], [526.324829, 0.0008565082684730609], [528.619812, 0.0005483576094925136], [594.522522, 0.0005303957630919151], [599.503601, 0.0011113519115066378], [782.563049, 0.0013638943266898824]]
PC 16:0/20:4	MassSpecGymID0006225	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[166.100464, 0.002463941788950442], [184.057236, 1.0], [185.187912, 0.0008328141079880473], [269.457947, 7.490885457939786e-05], [313.400543, 0.00011560554690948405], [422.355774, 0.001273045099563502], [478.486389, 0.004230849218841973], [496.371887, 0.01559525008221035], [526.319519, 0.007474560493090224], [544.37085, 0.0029804748256851595], [599.687805, 0.0006918938356383159], [722.678284, 0.0008310336848351794], [782.723267, 0.010172349606013934]]
PC 16:0/20:4	MassSpecGymID0006226	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[95.933487, 0.0004005475370733683], [98.983696, 0.006843767063665115], [99.973549, 0.00035304995834315627], [104.106514, 0.006600480198306981], [113.457649, 0.00041992188488090555], [116.463936, 0.00038187697323000783], [121.899567, 0.0003950609337262846], [124.999535, 0.0350184013552787], [141.83194, 0.0003750892193070723], [166.062744, 0.00203350445375361], [182.988586, 0.001133919938716674], [183.69426, 0.0005703890388116488], [183.700012, 0.0009914567793699088], [183.716736, 0.0005853879899074165], [183.722778, 0.0010105016977872505], [183.760956, 0.0008276043579609977], [183.767914, 0.0011137631549369832], [183.77652, 0.0007916662529860887], [183.783051, 0.0012080580855592193], [183.799011, 0.0008170943681178307], [183.805786, 0.001172329785144953], [183.813522, 0.0011191756514926311], [183.820831, 0.001241622467663564], [183.85054, 0.0018857455242817958], [183.858994, 0.001254662628048104], [183.86615, 0.0014087296593523304], [183.873688, 0.0014881265558605585], [183.881699, 0.0014009879040009793], [183.888474, 0.001888010886555105], [183.896851, 0.0014976256631958392], [183.903641, 0.0020443106072717057], [183.911484, 0.0019007452658500053], [183.919128, 0.0019451638885459996], [183.926514, 0.0020374408747692663], [183.933945, 0.0023055066797661654], [183.94165, 0.0023160866264204474], [183.949173, 0.0024706598235783553], [183.956635, 0.0026445287165358235], [183.964355, 0.0027153734916942635], [183.97171, 0.0031297791963842145], [183.979172, 0.0034450030063247913], [183.987381, 0.003047513938874853], [183.99411, 0.004329082667903092], [184.002274, 0.0038837626399705364], [184.009277, 0.005080258353375499], [184.01738, 0.004694088851294722], [184.024368, 0.006218052265784912], [184.032425, 0.0057745071119754176], [184.039505, 0.007063257019648236], [184.046997, 0.005365068209129244], [184.072815, 1.0], [184.100113, 0.006409640652492631], [184.107849, 0.006049030286350856], [184.114868, 0.006662563376918508], [184.122955, 0.004927551198162293], [184.13002, 0.005285879206873257], [184.137756, 0.004499382841275832], [184.145294, 0.003995413183528898], [184.153198, 0.003349893362105687], [184.160217, 0.003749885855779378], [184.167877, 0.0033255689441210605], [184.175674, 0.002791637482424109], [184.183014, 0.00281454958964573], [184.190704, 0.0025081674774595202], [184.19812, 0.002490216111792955], [184.205902, 0.0021534722166010847], [184.213226, 0.0022705214234473602], [184.220886, 0.002053328448635227], [184.228561, 0.0018796872117410495], [184.235657, 0.002171705122202402], [184.244629, 0.0013307062087120434], [184.250748, 0.0019465046615530057], [184.258759, 0.0015607709732785744], [184.266556, 0.001394731709858924], [184.273468, 0.0017919891688833623], [184.28154, 0.0013417770387527956], [184.28894, 0.0013185756186174093], [184.297363, 0.0011238595959475871], [184.303726, 0.0015722947440285815], [184.311447, 0.0013694421250226392], [184.319183, 0.0012222515452366088], [184.326813, 0.0011635890043723454], [184.334595, 0.0012132634783350686], [184.341431, 0.0011830882468257156], [184.350632, 0.0008242158660930408], [184.356674, 0.0013239823183751496], [184.36438, 0.0011002414650898701], [184.373322, 0.0008634015612231235], [184.379105, 0.0012642921633363115], [184.39444, 0.0010988047814265705], [184.432098, 0.001219565519878759], [184.478638, 0.0005918915360511083], [184.485245, 0.0008758750846121702], [184.501572, 0.0005941374000041821], [184.50795, 0.0007212509678544579], [185.076599, 0.006238575038305241], [185.155975, 0.0006329333922203684], [185.165939, 0.0010732413637618426], [234.472656, 0.00045566181182733957], [273.611633, 0.000489401547068397], [313.273529, 0.0015636999371669265], [314.444885, 0.0004512981404567927], [332.282043, 0.00040575269929475524], [394.455231, 0.00041500781413627793], [463.203186, 0.000490776475072167], [465.561218, 0.00046332277430784967], [478.3284, 0.0019503438544582984], [496.338654, 0.00480373528372185], [526.325989, 0.0022737834397246], [764.05542, 0.000510949265918808], [782.568115, 0.0033620534631714884]]
PC 16:0/20:4	MassSpecGymID0006227	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[166.127106, 0.003994758520142597], [184.057159, 1.0], [185.367859, 0.00042020668304858173], [212.197357, 0.0001774214376816118], [228.229996, 0.00022717862588132973], [307.313293, 0.0001688526234486646], [309.157562, 0.000453020276578344], [443.195801, 0.000463721760685904], [471.874634, 0.0011007963925947278], [478.479431, 0.0058692657213541555], [493.314209, 0.0013295707813506784], [496.423157, 0.013185767386150172], [497.486572, 0.0002663206361748898], [500.270142, 0.0002332988313585764], [502.570862, 0.0003684605102535964], [503.243347, 0.00021810124023496317], [504.317688, 0.0005541091981031122], [511.420715, 0.0002205253680911761], [518.530518, 0.00017075229082280676], [520.596619, 0.002688418497800866], [521.532532, 0.004779565411607926], [526.352234, 0.012005772558764468], [528.955872, 0.000258799254366543], [535.341919, 0.0005823887486775082], [538.07251, 0.0002779749310486029], [544.448792, 0.002106617411927635], [550.49469, 0.0023045622121721896], [551.437012, 0.0006009952408099844], [573.370056, 0.00028766903753660647], [578.377258, 0.0003235709045370228], [597.543396, 0.00028587322852392685], [599.569214, 0.003278721617271544], [620.674683, 0.0004513527001560285], [623.595154, 0.000584520691252671], [640.506836, 0.0009926221440712027], [641.539246, 0.0018459949681484508], [655.038574, 0.0006334228953109262], [678.420837, 0.00019958175251136122], [694.676575, 0.0003846307965103263], [703.700317, 0.000565790495181073], [712.831787, 0.00028617993070199926], [718.441956, 0.0002452464557978077], [722.35498, 0.00045205792364340656], [723.799683, 0.0009426534523427566], [726.764648, 0.0011855532958597343], [747.587952, 0.0004705242845665163], [753.674622, 0.0007779579755771329], [759.55249, 0.006602425352749703], [761.673462, 0.0018489355658901105], [764.532288, 0.0008971450020701518], [765.657104, 0.0002205135858400858], [774.327637, 0.0013855161047962748], [781.623047, 0.0029233457526280323], [782.563049, 0.0013860200893744958], [783.927429, 0.0007948803524978001]]
PC 16:0/20:4	MassSpecGymID0006228	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[98.983788, 0.004715106448760338], [103.27433, 0.0006028653977460267], [104.106781, 0.005923602515792046], [109.190369, 0.0004735478234969058], [124.999695, 0.028034470192766062], [147.437286, 0.0005783078512062922], [147.928421, 0.0006208687391607864], [155.595367, 0.000547699482585423], [166.062424, 0.001659869398439239], [167.698288, 0.0005614535869211849], [182.990753, 0.0007996140782571266], [183.784241, 0.0008657552443321123], [183.790314, 0.0011976218662885414], [183.806992, 0.0008564785214497779], [183.813034, 0.001656170919348843], [183.851547, 0.0011335477225547503], [183.858383, 0.0015864311575933595], [183.896683, 0.0014964188386356481], [183.903671, 0.002072406272293185], [183.919113, 0.001917980487001929], [183.926453, 0.0020984272479966184], [183.934067, 0.0021998348404717247], [183.94165, 0.0023339294458304344], [183.948975, 0.0027261659446976548], [183.956757, 0.002583770204609558], [183.964203, 0.002854518852429164], [183.971832, 0.003014380524778766], [183.979172, 0.0035119275290765506], [183.987045, 0.003239292675566464], [183.994339, 0.004028510032225974], [184.002029, 0.004394561635079387], [184.00946, 0.00491402936269654], [184.017044, 0.004961802287008945], [184.024521, 0.005920646346195079], [184.032166, 0.0061525169026014305], [184.040085, 0.005986252996983111], [184.046829, 0.0078285925847472], [184.056534, 0.006029441375405693], [184.073074, 1.0], [184.100708, 0.00456918660524362], [184.107285, 0.0075590020221887304], [184.115158, 0.006190398589027492], [184.122833, 0.005287904714428811], [184.129944, 0.005891594708833978], [184.138153, 0.0039660903091993955], [184.145081, 0.0045701193463192485], [184.153168, 0.003402215814710732], [184.160278, 0.0037812421526794075], [184.167953, 0.0033781695394236953], [184.175781, 0.002681457661122463], [184.182907, 0.0030860115330236183], [184.190704, 0.002602169251509138], [184.198441, 0.0022269011358573396], [184.205475, 0.00270441194225994], [184.213837, 0.001872527840295745], [184.220642, 0.002471068528539626], [184.228653, 0.001726257005227867], [184.235794, 0.0020309454066396422], [184.244095, 0.0014824473249707474], [184.250839, 0.0020273580124795473], [184.266998, 0.0011541404659799605], [184.273514, 0.0017197561954442778], [184.289474, 0.0010373831581646001], [184.296387, 0.0013663513935991778], [184.304276, 0.0012617754497780754], [184.311356, 0.0014716255864275624], [184.335312, 0.00080997850123267], [184.341599, 0.0012855502665647177], [184.379349, 0.001286982423733948], [197.884323, 0.0005841398635770593], [234.792221, 0.000656926436779192], [273.616364, 0.0005465481185806501], [330.40918, 0.000607066980186374], [471.836823, 0.0006603441693526425], [478.329529, 0.001821292796008808], [496.338837, 0.003678728750361925], [526.326355, 0.001371248191046794], [529.993164, 0.0006526714588062806], [599.508789, 0.001581231256470789], [660.312805, 0.0006335608609027613], [733.622681, 0.0005909441970543817], [763.522766, 0.0005753949488965999], [782.573364, 0.001539221966542455]]
PC 16:0/20:4	MassSpecGymID0006229	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[165.994522, 0.0010952288019374769], [179.183517, 0.00026694846693157027], [184.094376, 1.0], [185.12944, 0.001865161714469368], [239.299561, 0.00029715264369532243], [263.280273, 0.00015816395744026947], [279.188446, 0.0001793963863300449], [289.403748, 0.0001862462866397562], [303.414642, 0.00015807131842770017], [311.348175, 0.000895113964929766], [326.306641, 0.0006549596260390161], [333.17215, 0.0002159867099005327], [335.463165, 0.00017619590389982205], [337.314453, 0.000371394234008713], [340.426483, 0.0003791625666722737], [404.434814, 0.00032686975595875494], [415.309448, 0.0001308035129374387], [419.50293, 0.0010872327963356244], [420.445374, 0.00018664846436235782], [422.127136, 0.00208303326451399], [427.463989, 0.0002329745555868493], [447.325012, 0.00046625489592508367], [448.368591, 0.0005432956130940638], [470.61731, 0.00015613168522397473], [478.423889, 0.0043057972736293615], [479.47168, 0.0003139275336675895], [492.455933, 0.00024514796482021084], [494.420898, 0.0007545732378232663], [496.517212, 0.007892745756073157], [497.473328, 0.0015013264523684989], [502.32605, 0.0006569649302507309], [504.552551, 0.00015863803432952523], [506.996338, 0.0004848749341336349], [518.355713, 0.00029739327709828303], [520.796692, 0.0006170833660948311], [521.499817, 0.0012730417390368555], [522.591797, 0.001384090277276189], [524.465515, 0.00025264396484735727], [526.343567, 0.01099541104538344], [527.115051, 0.00030953045752825283], [537.575806, 0.00045234818935967956], [540.542908, 0.0007424844283914452], [544.439636, 0.002500949943501565], [550.445496, 0.0010254363312810334], [576.730042, 0.00039764671002656953], [579.547852, 0.00026727043481253717], [597.611328, 0.00022397110460136246], [598.383728, 0.00013754762374514575], [599.611267, 0.0023948212860701664], [614.625061, 0.00026571325941434563], [615.386353, 0.00020572717969798667], [623.623108, 0.0001224659669036967], [640.228699, 0.0015957163221094301], [641.792664, 0.0004880426004501454], [647.508728, 0.0006853973626307572], [652.789307, 0.00020624804533835798], [667.339905, 0.0005994760668169737], [687.748779, 0.00020269013795701078], [699.552368, 0.0006772368537521893], [703.628906, 0.0009249461119817886], [704.925781, 0.0003033669072839111], [706.845703, 0.000816531483758942], [722.788757, 0.0023269552981280135], [723.648499, 0.0021425880810843436], [724.718933, 0.0005358810561305044], [732.738831, 0.0002960228572647389], [738.633423, 0.0005690173848423255], [746.161072, 0.0005843411409920747], [747.463013, 0.0004182650409207669], [749.94751, 0.0003462525807253807], [759.700195, 0.0011983180248670675], [761.672607, 0.0002078911584675666], [763.909546, 0.0018629031421467659], [764.901611, 0.0019333913865457618], [765.779419, 0.0010374332385310117], [774.147949, 0.0008273154357796276], [781.728943, 0.0032584323131297902], [782.73877, 0.001971065983676291], [783.698914, 0.0016960244627801109]]
PC 16:0/20:4	MassSpecGymID0006230	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[91.134285, 0.00045232651257145714], [98.983795, 0.00405121175916914], [101.579277, 0.0004390245637592538], [104.106743, 0.00628211457076652], [112.884262, 0.00042870266979821726], [124.861229, 0.0004663379612994986], [124.99968, 0.02720069276770993], [132.910599, 0.00045084799621020785], [133.783127, 0.0004510808597923995], [166.063141, 0.0011759433480775098], [182.992142, 0.0019359030400312699], [183.888931, 0.0015934115384000705], [183.896255, 0.0019010587717539947], [183.911484, 0.0018601606738616848], [183.918961, 0.002037417393240949], [183.926407, 0.0022440843298725294], [183.934113, 0.002150497740190124], [183.941635, 0.0022651836728527753], [183.949203, 0.002413420584318463], [183.956696, 0.0027204127872727103], [183.96405, 0.003217549877263497], [183.971832, 0.0030025076195383882], [183.979492, 0.003075628465995274], [183.98671, 0.0038962546507525712], [183.994354, 0.004040723506340133], [184.002151, 0.003950452601081201], [184.009262, 0.005162148454994191], [184.017624, 0.004328234375555332], [184.024261, 0.006716951706785981], [184.032593, 0.00549581956251213], [184.039444, 0.007528782033917145], [184.047119, 0.005777031081718348], [184.073013, 1.0], [184.099915, 0.006843408310747691], [184.108124, 0.005636330282167932], [184.114716, 0.00755040828983641], [184.123428, 0.004519639008302732], [184.129807, 0.006255212663681469], [184.138031, 0.00425284685634657], [184.145233, 0.00433071814923547], [184.152847, 0.0039042336613913254], [184.160583, 0.003293824125783189], [184.167877, 0.003331225466474644], [184.175659, 0.002873158197186709], [184.182922, 0.0030769764188324617], [184.190979, 0.002347333784052293], [184.198044, 0.002726283525336801], [184.205795, 0.0024451729471939247], [184.213562, 0.0020712477462925608], [184.220718, 0.0025246425268843154], [184.228867, 0.0016087286610108674], [184.235718, 0.002188767485548754], [184.25145, 0.0014389153429414446], [184.258636, 0.0017424222805176106], [184.265991, 0.001800897806565554], [184.274368, 0.0012274706281168643], [184.281021, 0.001723671915981491], [184.289566, 0.001152800257105403], [184.29628, 0.001571915263669399], [184.319672, 0.000982903390911448], [184.326538, 0.0013135293365009286], [184.342484, 0.0009101290054347865], [184.34906, 0.0013294769531832975], [184.36409, 0.0013487247246012008], [184.372467, 0.001094368213324971], [184.379974, 0.001020339672844188], [184.386795, 0.001119449918155787], [184.418259, 0.0006896348378139267], [184.425018, 0.0010959692955593422], [185.077362, 0.0013929726714989484], [185.1633, 0.002199960618092966], [249.098862, 0.00048546417631057086], [286.006866, 0.0004285722228366623], [313.273438, 0.0006422033619775489], [465.642059, 0.00047595843043893895], [478.32724, 0.002209404207524833], [496.34021, 0.003647148322291037], [526.330444, 0.001297490950384366], [557.485413, 0.0004807744498802292], [599.501465, 0.0012521975635891806], [623.716797, 0.0004599073491865233], [670.54364, 0.00055156417660476], [782.567932, 0.0031230661536750227]]
PC 16:0/20:4	MassSpecGymID0006231	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[166.219681, 0.0024656515909540384], [184.10025, 1.0], [184.776031, 0.008913704147516969], [185.533676, 0.0003052676979350877], [313.049622, 0.00010147223159498335], [419.440918, 0.00014239546370112732], [422.294678, 0.0004434041600546771], [470.205811, 0.0009520584436381246], [478.556641, 0.005069019983628074], [496.459778, 0.01659019526838602], [497.614929, 0.0002591125740376821], [526.48645, 0.009183689887029192], [543.733582, 0.00033008692574781114], [544.526184, 0.004772783658458045], [597.52887, 0.00014511297794492895], [598.830933, 0.00040721501820278064], [599.646057, 0.002379817450353859], [600.979858, 0.00017167449840439439], [722.692627, 0.0014356007900809787], [781.936829, 0.0002022081020805613], [782.94928, 0.0006677587745987061]]
PC 16:0/20:4	MassSpecGymID0006232	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[98.983727, 0.00467367601330692], [102.396767, 0.0004122709398343069], [104.106636, 0.005802596999798919], [113.574394, 0.00038656757570167295], [114.57235, 0.0004070524390002971], [122.170692, 0.00039432011314522754], [124.999611, 0.028191714061345387], [126.989967, 0.00037593469085419234], [129.487335, 0.000418497867317035], [146.105911, 0.00036593402220081773], [166.06221, 0.0009100824641033407], [182.989044, 0.0023082340522388245], [183.406647, 0.0006847957163412963], [183.453033, 0.00045038779439108493], [183.459045, 0.0005254816799706902], [183.58876, 0.0004371122240335706], [183.594742, 0.0008575030226778676], [183.633163, 0.000648766221713176], [183.64006, 0.0007451586049942117], [183.671936, 0.0005246467925661518], [183.67749, 0.0010128961630635539], [183.72406, 0.0006136400200636095], [183.730148, 0.0010855697923622782], [183.738937, 0.0006805158628138165], [183.745331, 0.0010219364465493116], [183.761353, 0.0007944528010493029], [183.767883, 0.0011987797648046826], [183.77626, 0.0008129675595733113], [183.78302, 0.0011410946735600997], [183.79126, 0.0008788328746175947], [183.798141, 0.0011558149227710848], [183.806534, 0.0009123132211862696], [183.81311, 0.001357549142499725], [183.821182, 0.0010876756981612686], [183.82869, 0.0011789987960748268], [183.835831, 0.0014356966722977587], [183.843658, 0.0013108651059729295], [183.851013, 0.0014109677138490933], [183.859299, 0.001177236574748711], [183.865814, 0.0018075202810849927], [183.8741, 0.0013301800440526403], [183.881226, 0.0016173290272133583], [183.888748, 0.0017093499993586928], [183.896515, 0.0016327013314470624], [183.903702, 0.0019707160206426477], [183.911636, 0.001753173204070605], [183.918869, 0.0020555174369905225], [183.926682, 0.0019755550786263445], [183.934113, 0.002157367316362687], [183.941498, 0.0025362383558763194], [183.949127, 0.002591640486847408], [183.956589, 0.0028148089648969065], [183.964325, 0.0026981705519545807], [183.971924, 0.0028334669993603477], [183.979172, 0.0034912055434396746], [183.987045, 0.0034011532618958367], [183.994217, 0.004305842635392385], [184.002228, 0.0038351347086685718], [184.009369, 0.004947375886865944], [184.01709, 0.005082773831496712], [184.024643, 0.005610105896386254], [184.032257, 0.006236920434036786], [184.039444, 0.007424051372025265], [184.047134, 0.005309294627127382], [184.072876, 1.0], [184.09996, 0.006786714093410753], [184.107849, 0.0060234575473181355], [184.115021, 0.006267206688793837], [184.12265, 0.005590888010987456], [184.130188, 0.005064889309324443], [184.137863, 0.004367302437526325], [184.145142, 0.004488279371978098], [184.152924, 0.003711911905683969], [184.160416, 0.00342632748285227], [184.16806, 0.0030707154698424205], [184.17543, 0.003095502126554343], [184.183105, 0.0027695324750779703], [184.190659, 0.0025548902487879293], [184.198181, 0.0024353696702190952], [184.205841, 0.0021912421768266292], [184.213394, 0.0021139381406866872], [184.220718, 0.0022467302895233555], [184.228699, 0.0018333181927918715], [184.235779, 0.002169386818155865], [184.244064, 0.0016141679058378825], [184.250763, 0.002006435932572536], [184.259064, 0.0014192106461253867], [184.266205, 0.0016696167449268455], [184.273468, 0.001849745712602061], [184.283005, 0.0009958401847192605], [184.288376, 0.0017659392276508541], [184.297333, 0.0010683802352656542], [184.303696, 0.0015867571902961515], [184.311874, 0.0011369179334554714], [184.318939, 0.0012935265354345044], [184.327179, 0.0009483340691558907], [184.334137, 0.0011239775221271709], [184.342804, 0.0009108323799058974], [184.348907, 0.0015090914490773035], [184.357986, 0.0008240148375496186], [184.364349, 0.001236700291727591], [184.372116, 0.0013067947116868533], [184.386581, 0.0012383375809598756], [184.395386, 0.0007461984666911191], [184.40213, 0.0010561114349540617], [184.487137, 0.0004836738739781492], [184.492783, 0.0009148465305067817], [184.56105, 0.0008209240207806323], [184.744736, 0.0004505724045905398], [184.750107, 0.0005631514133921723], [185.076828, 0.0048699832830838025], [185.165787, 0.002173256480668929], [246.859253, 0.00036598832644858906], [289.973236, 0.00036574925038157784], [313.272339, 0.0007402881927722184], [327.748932, 0.00039914704964504673], [341.898712, 0.0003778842699161087], [392.153046, 0.0005183773590799599], [478.327057, 0.0017847609829565343], [496.339325, 0.004608474389909877], [526.328857, 0.001696605147970283], [547.113098, 0.00042940853617004244], [558.672791, 0.0004909499562954242], [599.507263, 0.0009962538505590545], [713.780029, 0.0004332955728099976], [782.572998, 0.0028111531253594423]]
PC 16:0/20:4	MassSpecGymID0006233	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[166.220016, 0.0017474193738936858], [184.057861, 1.0], [185.577988, 0.0010510480614371249], [313.525452, 0.00022712754741212684], [478.466003, 0.006332016361440583], [496.387207, 0.010661979710466188], [501.618042, 0.0005176343820656031], [502.623596, 0.00019855235007344292], [503.26532, 0.000456524626344204], [523.50647, 0.0003193116386414855], [526.4505, 0.014633560654244131], [527.121521, 0.0002401740887665891], [534.604858, 0.0008932290951723547], [544.41449, 0.0010757912239590535], [577.53656, 0.0004565949909914481], [597.52063, 0.00388978384590895], [598.640381, 0.013360686373398151], [599.586365, 0.007491789872589624], [721.751587, 0.012096309704816306], [722.624512, 0.08654627549595556], [723.612549, 0.024113530749442343], [781.765198, 0.002869267308927585], [782.613647, 0.0005448184352409088]]
PC 16:0/20:4	MassSpecGymID0006234	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[94.13398, 0.000595136390586803], [95.255653, 0.0005658485033540526], [98.983612, 0.003779851873045462], [104.106537, 0.006423299483014495], [104.830978, 0.0006144251314122098], [115.587563, 0.0006638640335708686], [124.999619, 0.026631898698693944], [125.072334, 0.0006646313776784346], [126.570869, 0.0006679874506515316], [133.328186, 0.0005049899605781673], [146.981567, 0.002963408855985933], [175.545776, 0.0005773338800114339], [183.483475, 0.0006572472148192967], [183.490417, 0.0006964851152524472], [183.496277, 0.0008016058968796378], [183.754013, 0.0006909347693718667], [183.760544, 0.0008806117963257376], [183.881836, 0.0012894810530636968], [183.888443, 0.0019944774559800924], [183.896576, 0.001595748787356868], [183.903824, 0.0016925748329074605], [183.911972, 0.0015975806580847865], [183.918564, 0.002495864446177428], [183.92688, 0.0018776695615388783], [183.933899, 0.0023256091414712767], [183.941681, 0.0022128650449033237], [183.949203, 0.002386080258686762], [183.956482, 0.002868814419823401], [183.964539, 0.0024661538225987435], [183.971695, 0.003061854828157676], [183.979294, 0.0033284871873756425], [183.986801, 0.003662707791400408], [183.9944, 0.003775313345793622], [184.002228, 0.003792486220315674], [184.009277, 0.005101368818039714], [184.017181, 0.0048429164845197195], [184.024704, 0.005462371594536747], [184.032043, 0.006620641371668602], [184.039581, 0.00687705624549954], [184.04718, 0.005087785012012343], [184.072937, 1.0], [184.099976, 0.006835276882611736], [184.107574, 0.00669460001445516], [184.115265, 0.005696291159380301], [184.122635, 0.005533907655809055], [184.130066, 0.005276735248618991], [184.137985, 0.004113379130681968], [184.145203, 0.0042938573226489335], [184.152832, 0.0037598903606208575], [184.160553, 0.003232084394524024], [184.167908, 0.003247244912182259], [184.175476, 0.0030157565082995557], [184.183182, 0.0026552924892733277], [184.190796, 0.002448197676377763], [184.197952, 0.0027511457209065705], [184.205994, 0.002161564879468206], [184.21315, 0.002202454363089135], [184.221008, 0.0018633390258999537], [184.228561, 0.0018028523385776741], [184.235901, 0.0019248530225133627], [184.243698, 0.0017046019460127022], [184.250977, 0.0019164731274853195], [184.259216, 0.0013360592658613047], [184.265823, 0.002120063236444444], [184.27533, 0.0009166994113426883], [184.280975, 0.0016029417000598218], [184.296982, 0.0011538442125935925], [184.303696, 0.001570718093020297], [184.319305, 0.0010700338230510264], [184.326523, 0.0012596099620578486], [184.342941, 0.0008039904269543425], [184.348953, 0.0014559554433215371], [184.365906, 0.000736287551203154], [184.371689, 0.0014877643771086882], [187.532364, 0.000614814145759017], [231.820267, 0.0006972137326989549], [366.352509, 0.0006679491608991093], [457.870483, 0.0005786444699190315], [478.326996, 0.0023681830564415023], [494.272186, 0.0006351703921716645], [496.338898, 0.004316003416383936], [526.32605, 0.0016416394528315193], [596.041016, 0.0006154384991000707], [598.486206, 0.002071534708897318], [599.499023, 0.0013051627721080163], [773.753723, 0.0005738438723543478], [782.571533, 0.0032604690169669576]]
PC 16:0/20:4	MassSpecGymID0006235	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[165.227997, 9.05427329920749e-05], [166.147339, 0.005431864738010668], [184.053284, 1.0], [185.376068, 0.0008148418085876247], [262.033386, 0.000509380299648995], [269.822479, 0.00015101556185273939], [327.407043, 0.0006251438574063391], [343.372803, 0.0003113568570456978], [377.466827, 0.00046007016424402336], [448.447083, 0.0007704609382959095], [457.36554, 0.0002387787503310371], [468.539368, 0.0003613642814658614], [478.411316, 0.0025275111990241917], [494.490601, 0.00037078142742034146], [496.37915, 0.014449068803829328], [496.987915, 0.0013025135932731914], [502.39093, 0.0008000432999897879], [520.628906, 0.0007726343750886364], [521.369751, 0.0002752116828422283], [525.453247, 0.0003246190942383831], [526.457153, 0.01187091540857253], [527.263733, 0.0007540412363643804], [544.418579, 0.0014709326909299171], [550.570129, 0.002117489769445026], [591.327759, 0.0003519568568374117], [594.645386, 0.0003780732668496276], [599.662415, 0.0014840366012629858], [601.808899, 0.0001453202684024007], [609.529236, 0.00029283835042535395], [623.683899, 0.0009008057205661535], [641.771179, 0.0011697662457510396], [707.810059, 0.0004667914231939709], [723.633667, 0.0012767850874976317], [724.688843, 0.0006408376454380836], [747.548401, 0.00036081158908896814], [759.872864, 0.002020521139969562], [765.569153, 0.0005468153873702278], [773.808655, 0.0004594452333383506], [781.463196, 0.0003908637854692126], [782.748047, 0.007546095730385619], [783.673035, 0.0002746751123014459]]
PC 16:0/20:4	MassSpecGymID0006236	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[98.983795, 0.0071421895750834775], [104.106766, 0.0066561519243948436], [123.483635, 0.0005158518556996713], [123.506416, 0.0005447564549734496], [124.999687, 0.041060628479615516], [125.623444, 0.0005891999762638264], [163.492981, 0.0005134611670847869], [164.613892, 0.0006424993813260736], [166.063248, 0.0012892817197982824], [182.992279, 0.0015387584745443603], [183.81398, 0.0008425220530919043], [183.820602, 0.0014654484554383737], [183.829147, 0.0009361999538523782], [183.835724, 0.0015826453159664875], [183.851501, 0.0011090043696879992], [183.858459, 0.001548684876164953], [183.881516, 0.0014643646907905189], [183.888565, 0.0018958679179029634], [183.911575, 0.001746300422560144], [183.91893, 0.0020726552640182023], [183.926437, 0.0022436238990602886], [183.949417, 0.0022541896960327113], [183.956528, 0.0028585785925483477], [183.964279, 0.0027920330865563703], [183.971725, 0.0030861136988117304], [183.979401, 0.0032070370581009085], [183.986801, 0.0037417463830689947], [183.994339, 0.0040414030977521135], [184.001999, 0.0040679429706674064], [184.009659, 0.004362554699313221], [184.016968, 0.005544204971113276], [184.024506, 0.005997724188930143], [184.032196, 0.0059631805311114], [184.039764, 0.006309873216078209], [184.046967, 0.005937048609523886], [184.073059, 1.0], [184.100266, 0.005808765468458699], [184.107529, 0.007011620347254049], [184.114975, 0.006876232969907958], [184.122955, 0.004950335972651863], [184.130112, 0.005257412722607153], [184.137665, 0.004889997812570064], [184.145386, 0.0040071706313304966], [184.153, 0.0036064064995740466], [184.160263, 0.003801408641183005], [184.168396, 0.0027650650597083625], [184.175217, 0.003570004200105016], [184.18338, 0.002455774704334474], [184.190613, 0.0025977766700997617], [184.198196, 0.0024971321413467355], [184.205673, 0.002428365941204155], [184.213486, 0.0020631690670658504], [184.220779, 0.002070266214705485], [184.22879, 0.001741702552536926], [184.235748, 0.002318876737488355], [184.243805, 0.0017262131625429753], [184.251129, 0.0015220698636521967], [184.258514, 0.0017410794610146507], [184.333771, 0.001638529859897599], [185.164505, 0.001074273749035151], [417.699982, 0.000825083020896271], [478.328674, 0.0013182302243694467], [496.338745, 0.0026068940805013775], [526.333008, 0.001652045240547881], [553.521301, 0.000578194683441923], [599.506592, 0.0017006602056971714], [612.563477, 0.0006549107061665871], [759.081238, 0.0007769652353070501], [767.773438, 0.0005968173858941981], [782.589783, 0.0011384526235140734]]
PC 16:0/20:4	MassSpecGymID0006238	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[91.459793, 0.00032425461345054866], [98.983788, 0.006003855709946304], [99.127678, 0.0004147195340780346], [104.106743, 0.006714357944442226], [107.632973, 0.0002943943515480799], [124.999733, 0.03585629296409835], [166.062729, 0.0015304995268388744], [182.992828, 0.0009771212901740769], [183.483704, 0.00038286343265044775], [183.489792, 0.0009179985081295287], [183.678467, 0.0006675331362643649], [183.685135, 0.0009441864719556542], [183.730865, 0.0007487757523469216], [183.737778, 0.0011394994825074832], [183.761185, 0.0008209911959118717], [183.767944, 0.0012355941393179522], [183.836121, 0.0012805060633107029], [183.843506, 0.0014517915365081092], [183.858734, 0.001424272968984544], [183.86615, 0.0015608586991068417], [183.8815, 0.0015333728773212658], [183.888626, 0.002022822542786863], [183.896484, 0.0017549777225885413], [183.903961, 0.0018368994606296682], [183.911255, 0.0021302243381355382], [183.918991, 0.0020719652689435487], [183.926559, 0.0021284396954151167], [183.934052, 0.0023127656306097324], [183.941544, 0.002552339435520152], [183.949081, 0.0026744833269011785], [183.956696, 0.0026756854123796275], [183.964447, 0.002661667595734848], [183.971695, 0.0032777747828533635], [183.979187, 0.0035996910909328384], [183.986908, 0.003600464664979749], [183.9944, 0.00395241022321433], [184.001953, 0.004315331237350709], [184.009491, 0.0047019045332472925], [184.017105, 0.005138437262174395], [184.024521, 0.006063859986131243], [184.032196, 0.006401777692736823], [184.039749, 0.006716798734288919], [184.047028, 0.0063031989372003844], [184.055588, 0.005836390484821481], [184.073059, 1.0], [184.100189, 0.006551331351286159], [184.107468, 0.007176426363220988], [184.115067, 0.006425035617222317], [184.122772, 0.005415158113943743], [184.130127, 0.005387591484127322], [184.137848, 0.004573458847826857], [184.145279, 0.004313284100569308], [184.152863, 0.004106772575782173], [184.160431, 0.0035972922015465834], [184.168015, 0.003107413848597093], [184.175629, 0.0029787583087697578], [184.182953, 0.003093666624421613], [184.190796, 0.002616345381729279], [184.198074, 0.0028750925204419036], [184.206192, 0.0020222406897543095], [184.213074, 0.002641546748159208], [184.220947, 0.0020916820763649652], [184.228561, 0.0019408923542327066], [184.23584, 0.002140452099686578], [184.243881, 0.0016168576081681443], [184.25087, 0.001968347718960905], [184.259018, 0.0014456968680641006], [184.266098, 0.0016882917313825734], [184.273865, 0.0015093978915947457], [184.281479, 0.001483410803505426], [184.288666, 0.0017530992439630212], [184.297119, 0.0010397773549529156], [184.304001, 0.001321067557564444], [184.311432, 0.0014960048847570864], [184.342621, 0.0009178311703663088], [184.349045, 0.001405779461350328], [184.372391, 0.0009138140957610784], [184.37944, 0.001129473036824136], [184.388138, 0.0007481513826706884], [184.39444, 0.001232679152453655], [184.403381, 0.0006727697695442564], [184.409592, 0.0010630094877684345], [184.433197, 0.0006962765440332347], [184.439987, 0.0009141287013190733], [185.076752, 0.025648994330359262], [185.163223, 0.0012075347389604977], [273.61734, 0.0003753901862423214], [305.318207, 0.00033705940736292975], [313.275238, 0.001475341883954896], [412.298035, 0.00041430721946313597], [478.329651, 0.002025275832350745], [496.339355, 0.004067290370489421], [526.330383, 0.0019411203420321487], [527.331665, 0.0005188949939729814], [582.737732, 0.00034795392319461664], [599.499451, 0.0006812626231651007], [782.570007, 0.0028372113352635358], [783.579041, 0.0009501704034685052]]
PC 16:0/20:4	MassSpecGymID0006240	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[91.517929, 0.0004901293093040574], [98.983765, 0.006623984875017668], [104.106743, 0.007131880696075126], [117.508041, 0.00044581907429741243], [124.999695, 0.03205493537186977], [153.356415, 0.0004484994594819892], [166.062485, 0.0012542098423750827], [171.097473, 0.00047274868587962707], [182.989182, 0.0008365949574426312], [183.761322, 0.0008586551368090591], [183.767883, 0.001132992391597588], [183.806458, 0.000993158599561736], [183.813141, 0.0014427876135903034], [183.844147, 0.001074467976878607], [183.850815, 0.0016331062344099021], [183.874481, 0.0011901715005731203], [183.880905, 0.0020864459216908176], [183.889267, 0.001370241368771011], [183.896133, 0.0019222581193316871], [183.911652, 0.001754267654563518], [183.918732, 0.002316098230729989], [183.926895, 0.0018410574737687945], [183.933807, 0.0025742494844619443], [183.94194, 0.0020674984384940536], [183.948929, 0.0028330080378591647], [183.956696, 0.002735946254704122], [183.964478, 0.002597279117288384], [183.971603, 0.003353890787222069], [183.979263, 0.003421015284371858], [183.986923, 0.0034537520087463817], [183.994492, 0.0037403742394233786], [184.001877, 0.004497948608701124], [184.00946, 0.004851369997421518], [184.017059, 0.00520713344719436], [184.024506, 0.005909898260654794], [184.032547, 0.005600786916684258], [184.039352, 0.00783551878818956], [184.047485, 0.005283871239296062], [184.073029, 1.0], [184.099792, 0.007304458061729847], [184.107895, 0.00595989165615678], [184.115051, 0.0064592635926267695], [184.122513, 0.006167123915116225], [184.130417, 0.004648921555123546], [184.137756, 0.004564758040611039], [184.145325, 0.004214792476176319], [184.152771, 0.0040998728104457444], [184.160522, 0.0034843951474327547], [184.167862, 0.0035573704213075525], [184.175781, 0.0028257796117368552], [184.183029, 0.002898173651126257], [184.190567, 0.0026668421356818134], [184.198486, 0.0022854518576782305], [184.20549, 0.002743459304980327], [184.213562, 0.0020338836790458467], [184.220734, 0.002283454161410912], [184.22908, 0.0016412172617687917], [184.235596, 0.002462839675944655], [184.251556, 0.0014226948796620036], [184.25856, 0.0017690966490842201], [184.266251, 0.001532974372605565], [184.273682, 0.0016457539348634792], [184.296555, 0.001335409441525645], [184.303909, 0.0012881538411938225], [184.312088, 0.0011110643455699842], [184.319153, 0.0016950376725485988], [184.327774, 0.0012842581432157632], [184.333557, 0.0014592210435988436], [184.341507, 0.0012256659970804806], [184.372925, 0.0010432043156802472], [184.379837, 0.0011851038207849008], [184.386703, 0.0011250849390011777], [184.403275, 0.0005998195294129565], [184.409592, 0.0010379106108286396], [185.165695, 0.001206793760443119], [188.274231, 0.0005732924536286067], [198.001129, 0.0005326205467309147], [313.272095, 0.0008930263572438241], [342.442932, 0.0005338077490840643], [417.707794, 0.0004874694718525159], [440.718597, 0.0005796545930338521], [478.329346, 0.0016661534578614032], [496.339935, 0.004205904059584261], [526.326538, 0.0018950013612036006], [595.73877, 0.0005806314665085711], [599.50238, 0.0007960978489683297], [604.269348, 0.00046292520474187373], [720.819885, 0.0004488469159399121], [782.568848, 0.0034290718982895618]]
PC 16:0/20:4	MassSpecGymID0006242	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[90.998215, 0.0006544936422484387], [98.984383, 0.004613214597562765], [104.107178, 0.007127272232978436], [111.466942, 0.0005557812009132578], [116.257553, 0.000588525879392673], [125.000046, 0.027302057338347802], [136.909149, 0.0005725731474656286], [142.892792, 0.0005456213501204525], [163.232376, 0.0005380874340745303], [183.767548, 0.0009932412406026142], [183.783005, 0.0012120387609831779], [183.788116, 0.000732462282673464], [183.805466, 0.0012415747962314914], [183.811066, 0.0008056806647059609], [183.827866, 0.0012109525479355578], [183.835175, 0.0011340077968455113], [183.841949, 0.001053779025915242], [183.858093, 0.0015311975007933085], [183.864197, 0.0010642724515405203], [183.871964, 0.0010336976611051733], [183.880981, 0.002030112938553609], [183.895996, 0.001981804859908222], [183.902176, 0.0015441237664938468], [183.910553, 0.0016607160594287551], [183.917816, 0.0020110661390813924], [183.925812, 0.002235981614898228], [183.931946, 0.0017293701066927853], [183.940979, 0.002517442694593274], [183.948029, 0.0022323296958711484], [183.955734, 0.0026174105535701525], [183.96254, 0.002167008334938102], [183.971207, 0.003583166841149176], [183.977676, 0.002836592571314853], [183.985916, 0.003382057004295995], [183.993149, 0.003295504492898836], [184.001083, 0.004036782174851153], [184.008667, 0.0045213535733869435], [184.015518, 0.0041494373181433925], [184.023911, 0.005969906867098577], [184.031097, 0.005640995656728321], [184.038147, 0.005483289865344634], [184.04657, 0.00710132881456843], [184.073639, 1.0], [184.098557, 0.004625875937160224], [184.106827, 0.0076217867392632714], [184.113983, 0.006288900430985619], [184.120834, 0.004816540209132314], [184.129486, 0.00590415105317387], [184.136169, 0.004225647721195307], [184.144333, 0.00421825879739204], [184.151489, 0.0034902528808281367], [184.159378, 0.0035081173429013855], [184.167053, 0.003246446434942178], [184.173645, 0.0024895991889440756], [184.182404, 0.0032249252194242865], [184.189194, 0.0025166015059373144], [184.19751, 0.002463424846511497], [184.212799, 0.002823971518530418], [184.219284, 0.0018168015152028947], [184.226685, 0.0015602947320844684], [184.235123, 0.0020802698596120205], [184.242584, 0.0017553815292431778], [184.249344, 0.0013362052165134257], [184.257767, 0.0015614190564520534], [184.264725, 0.0011959799538800173], [184.272583, 0.0014811448420173191], [184.280991, 0.0019662435143413524], [184.294968, 0.0010256751063066507], [184.310822, 0.0013130670494679677], [184.317459, 0.0009442894592432455], [184.334061, 0.0015400380390434884], [184.348892, 0.0013468275599197565], [184.354645, 0.0007557610329504825], [237.849091, 0.0006293640577457693], [245.670547, 0.0006472985382948989], [269.68689, 0.0007685153545227171], [290.785278, 0.0006416503673930453], [317.551056, 0.0006552717417500445], [340.707001, 0.0006702179882247099], [405.359589, 0.0006933059982008438], [478.332092, 0.0012911267705055212], [496.339355, 0.00331546161318785], [526.335571, 0.0015852388763945193], [657.582153, 0.0006674514524848999], [741.877502, 0.0006086534129059384], [754.838074, 0.0007275209439035535], [782.569275, 0.0024568514889614186]]
PC 16:0/20:4	MassSpecGymID0006243	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[166.073547, 0.002209193781995061], [184.023636, 1.0], [184.788239, 0.029253159052804466], [311.18811, 0.0009529393698560815], [422.354248, 0.0005526194749326121], [478.392914, 0.0033578556181982568], [488.492249, 0.0005671013949593252], [496.47348, 0.024283293143346388], [504.435455, 0.0010196890020652825], [526.406799, 0.010266176448852268], [527.036255, 0.0005661047729584234], [528.069031, 0.0012500789665106304], [544.734131, 0.0011863808495832396], [599.613525, 0.005674996393914732], [723.728271, 0.0032430481915290336], [725.410156, 0.0005868492974287318]]
PC 16:0/20:4	MassSpecGymID0006244	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[92.666176, 0.0007794569471514152], [98.984154, 0.004086145180340113], [103.869347, 0.0007580477382641401], [104.107109, 0.007195820142797873], [111.288635, 0.0007532828456745001], [114.835785, 0.0006414657269425524], [114.839775, 0.0006975981027680969], [124.999771, 0.025147224207686617], [141.453735, 0.0008684771101146921], [145.410461, 0.0010263495913630173], [183.903137, 0.0020908748887261902], [183.909836, 0.001394999035337368], [183.91806, 0.002324305818410079], [183.925217, 0.0018227434585728786], [183.94809, 0.002609199301302253], [183.955536, 0.0025240369672324178], [183.963257, 0.002860537163818217], [183.970749, 0.002873913384044457], [183.977844, 0.0027934265695047783], [183.98616, 0.004228070552063731], [183.993027, 0.0033660301600638275], [184.000763, 0.003921142168148359], [184.008698, 0.0053020391706565815], [184.015671, 0.0047010346674909356], [184.023712, 0.0062073206034081434], [184.031021, 0.006075817777686388], [184.038361, 0.00633286565682702], [184.046494, 0.007671282178383316], [184.073181, 1.0], [184.098434, 0.004274622759236326], [184.106689, 0.0073770648076955225], [184.114044, 0.006600267234014842], [184.121429, 0.005695700785656398], [184.129364, 0.005915520345420053], [184.136246, 0.004233985981258338], [184.144501, 0.004971883490859867], [184.151474, 0.003460160182672746], [184.159348, 0.003736277329108335], [184.167023, 0.0034734458985454264], [184.174103, 0.0026260238990243653], [184.182098, 0.00292964887403482], [184.189514, 0.002565162307094366], [184.197235, 0.0025626936392257743], [184.204727, 0.0024503840394507134], [184.211975, 0.002001191054090449], [184.220001, 0.002017006689874948], [184.22728, 0.0018228766292645445], [184.265579, 0.0022031652563364633], [184.272217, 0.0012683266370592966], [257.616302, 0.0007830144955082534], [312.694366, 0.0009318370262350503], [332.340332, 0.0008855295040468996], [339.880066, 0.0008269147634962987], [470.906982, 0.0010993613927583609], [496.340851, 0.002957263691684787], [526.330994, 0.0018040269966522284], [588.582031, 0.0008580200593228627], [782.563965, 0.0017554062801457074]]
PC 16:0/20:4	MassSpecGymID0006245	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[166.14624, 0.0029030426888617404], [166.758957, 0.0005272329122073283], [184.031433, 1.0], [184.753143, 0.037923445203617276], [185.454529, 0.0009130610308670688], [189.334015, 0.0010475560545246349], [190.134476, 0.0006633888964482955], [422.352325, 0.0016063290611156174], [478.511719, 0.00436899192258828], [494.320801, 0.0007584469952690078], [496.46344, 0.017999883685132296], [526.392578, 0.022096247508268576], [527.368225, 0.0009766468751077288], [527.987427, 0.0014502881958606273], [544.425537, 0.0017109238363489864], [598.755066, 0.0012408261003705305], [599.574463, 0.002670421789013709], [613.638672, 0.0010010406942782895], [723.669067, 0.004628503974708995]]
PC 16:0/20:4	MassSpecGymID0006246	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[97.035912, 0.0006463992693063054], [98.984253, 0.004483944870011192], [101.98391, 0.0006512671927395826], [104.107132, 0.0063043221398835555], [105.323334, 0.0005565784651802317], [105.75914, 0.0005868560366569525], [124.999771, 0.025026543128967092], [137.365448, 0.0006806004913439407], [168.449982, 0.0006396770607119335], [183.752625, 0.0012087516595600753], [183.797867, 0.0012528426970585978], [183.80307, 0.0006359674027353184], [183.857697, 0.0015549506026588044], [183.864944, 0.0012988305735428484], [183.872894, 0.0016331962977392603], [183.879776, 0.0013467222226727455], [183.888123, 0.0018200986988311156], [183.894485, 0.0012524901667171793], [183.910583, 0.002183987106437238], [183.917816, 0.0019065806612324956], [183.925323, 0.0019488201326624812], [183.933304, 0.0024366440992715723], [183.939957, 0.0018370522409290376], [183.94809, 0.0025462126529809327], [183.955948, 0.003099267650051796], [183.962738, 0.002405630945285001], [183.970734, 0.0030522719419196955], [183.978271, 0.003265003682999993], [183.985901, 0.003531461158202217], [183.993256, 0.003786328229467536], [184.000885, 0.004100269761825242], [184.008423, 0.0045680363421816755], [184.0159, 0.00494271805173268], [184.023773, 0.0063720057918324685], [184.030685, 0.005566096667716831], [184.038879, 0.007667154170233536], [184.04567, 0.005735597828129823], [184.073227, 1.0], [184.099335, 0.006205300402387414], [184.106354, 0.006695347770981023], [184.114273, 0.007275539583688048], [184.121155, 0.0052413848097376545], [184.129257, 0.005665387595376195], [184.136597, 0.004880376872841345], [184.144257, 0.004448057742614754], [184.151718, 0.0038834050000570793], [184.159378, 0.0036870848859279328], [184.166962, 0.0035690384735325878], [184.174164, 0.0028182059287215947], [184.182266, 0.003187834204753917], [184.189133, 0.0022784320673400805], [184.197037, 0.0023613021231335975], [184.205124, 0.0030341266215536873], [184.210815, 0.0016516083610851897], [184.220245, 0.0026621150608944475], [184.226257, 0.001597944486310252], [184.235214, 0.0021038721711866193], [184.242264, 0.0017162678382913108], [184.250244, 0.002060744780073181], [184.257568, 0.00158969598309022], [184.264633, 0.0011818413443339785], [184.295502, 0.0013705452802087095], [184.302521, 0.0010373905038742154], [184.325989, 0.0013247390391247227], [184.331635, 0.0006876912729258223], [184.341202, 0.0015238519332025895], [184.347748, 0.0008612983990644303], [278.755646, 0.0006539814589037482], [309.933258, 0.0006580612533504441], [313.268616, 0.00077642437205581], [327.608795, 0.0008012724595131034], [447.757355, 0.0007235236785888854], [451.168274, 0.0005976532812947454], [472.041901, 0.0006382849532953], [478.328644, 0.0015391617838667198], [496.341064, 0.002863870097228137], [526.324463, 0.0015989752943163188], [599.520691, 0.0007722661997704859], [661.387634, 0.0007101537645362254], [690.233459, 0.0006733758624178495], [782.566101, 0.002827485647802876], [784.550354, 0.0006932208195513771]]
PC 16:0/20:4	MassSpecGymID0006247	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[166.028519, 0.003034623467542594], [184.073639, 1.0], [191.223267, 0.0009557225625985367], [311.31131, 0.0006051322700320701], [422.358215, 0.0004410518504160333], [477.065399, 0.000820530351409804], [478.525787, 0.0038341974916055546], [494.428558, 0.0009984556967993566], [496.385406, 0.02082687124054433], [526.376892, 0.01174779985989127], [544.39801, 0.002040324460265613], [598.561035, 0.0017002612175023566], [599.675903, 0.0026998361129519665], [722.488159, 0.0006057103794839377], [723.618774, 0.001984221833387031]]
PC 16:0/20:4	MassSpecGymID0006248	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[93.213394, 0.0005675183534589795], [97.39093, 0.0006503465382096725], [98.984161, 0.004035490763571005], [104.107185, 0.006938734779404917], [115.271912, 0.0006901057990332716], [124.999969, 0.02596361392666315], [133.980026, 0.0006382478409605179], [155.79071, 0.0006835871344407119], [167.706055, 0.0006366499957528818], [177.456497, 0.0007048620300996657], [183.812897, 0.0013626170765506194], [183.81955, 0.0009709630434322237], [183.827682, 0.001057656986415774], [183.833893, 0.0007627948163981349], [183.843109, 0.0017577335932245947], [183.848984, 0.0010289241086638636], [183.857742, 0.001132986913011415], [183.865433, 0.0017193661127589983], [183.872696, 0.0015248100484007668], [183.879166, 0.001221055154825592], [183.888199, 0.0017774692010515537], [183.894608, 0.0013014837438627387], [183.903, 0.0017629192062112759], [183.910446, 0.001866163349838984], [183.918182, 0.0020035513015603653], [183.924698, 0.0015844174614998154], [183.933487, 0.002764378590014101], [183.939499, 0.001827762620200464], [183.948059, 0.0022495722754210497], [183.956055, 0.0031248548462543225], [183.962585, 0.002335143744840278], [183.970581, 0.002723876993001147], [183.978607, 0.0035031435145979183], [183.985413, 0.0029923801157298747], [183.993439, 0.003881994333782771], [184.000992, 0.004168560094294213], [184.008499, 0.004440176298693853], [184.015884, 0.00462444431709265], [184.023514, 0.00537392529921708], [184.031418, 0.0069096555847497805], [184.038162, 0.005889466066169399], [184.046265, 0.006508149172595862], [184.073517, 1.0], [184.099167, 0.004913289759227011], [184.106766, 0.00706889920708176], [184.113556, 0.005555383934509204], [184.121689, 0.005974259893591555], [184.129089, 0.005386792612050209], [184.136826, 0.004888104944505493], [184.143646, 0.003678717847385015], [184.151917, 0.003989510938055021], [184.159424, 0.003520220788792218], [184.166214, 0.00273500163822638], [184.17485, 0.0034585768357495495], [184.181717, 0.002536397173759315], [184.189224, 0.002267099727321559], [184.197296, 0.002579521455814995], [184.20459, 0.002371093291138663], [184.212021, 0.0019813920466511415], [184.219803, 0.0020554565625697614], [184.227585, 0.00209467869512735], [184.234375, 0.0015799663008577774], [184.242554, 0.0017510566808777424], [184.250198, 0.0017729997590813448], [184.257324, 0.0013998113527808444], [184.264725, 0.0012172509246842038], [184.2733, 0.002093877515920258], [184.288254, 0.0014568564092055057], [184.29425, 0.0009642997278451363], [184.303345, 0.0015512626732309407], [184.310715, 0.0012086533303110154], [184.317001, 0.0008869131518156371], [184.356339, 0.001240539508641189], [184.363327, 0.0008768289998054282], [240.209976, 0.0007167505492003483], [267.470459, 0.0005992466839571956], [284.74823, 0.000731778029473479], [304.375336, 0.00063048907390828], [313.274261, 0.0010421098593747587], [327.293121, 0.0008263809320423654], [339.58316, 0.0005978037730058084], [339.595093, 0.0005975132141535037], [391.410156, 0.0005622701840488069], [478.328461, 0.0014651308811178976], [496.339539, 0.0034432164067871055], [526.328003, 0.001000350735500245], [599.498474, 0.0011309880782925227], [623.763977, 0.0005726330120480095], [655.487854, 0.0006981233611447423], [756.106812, 0.0007489739609097819], [756.504822, 0.0007061609756063317], [782.57782, 0.0019695519159446174]]
PC 16:0/20:4	MassSpecGymID0006250	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[95.631065, 0.0006988789923156508], [98.983871, 0.0028976814037599617], [104.107162, 0.005950617076693232], [114.016663, 0.0007101865816274282], [116.181511, 0.0006561973590492807], [118.959068, 0.0007394647826340789], [123.923645, 0.0006166691170319979], [124.999863, 0.016970278537322546], [135.103134, 0.000680705703684066], [146.981415, 0.003834767020752241], [152.008774, 0.0008567819457511167], [183.827911, 0.0016062805395219034], [183.834534, 0.0010326889238752703], [183.872818, 0.0015510204364067221], [183.880173, 0.0014334572286383417], [183.887482, 0.0013625412970844648], [183.917953, 0.0018814317260547196], [183.925369, 0.0018793085911771152], [183.932816, 0.0019555614268445933], [183.94075, 0.0025051869313423634], [183.948181, 0.002727911384111227], [183.955521, 0.002451236356188586], [183.962921, 0.0024836903328799994], [183.970947, 0.0032762824107935005], [183.978088, 0.003005151871032329], [183.985809, 0.0034822216128424055], [183.993515, 0.004090649423506318], [184.000656, 0.003772408772159858], [184.008438, 0.004557672876228285], [184.016342, 0.0056895160021859575], [184.022903, 0.004625030342125336], [184.031235, 0.006306923487080934], [184.038467, 0.006398192481416011], [184.046463, 0.007519559008892177], [184.073273, 1.0], [184.098816, 0.004609719023286574], [184.106644, 0.007185283625320739], [184.11409, 0.006866933060503364], [184.121704, 0.006354640368435308], [184.128555, 0.004482989305843609], [184.136841, 0.0050201255520643615], [184.144073, 0.004133098657703347], [184.152008, 0.004211033663555856], [184.158737, 0.0029608279301067807], [184.167175, 0.0036579931611301513], [184.174118, 0.0027341830243738105], [184.182037, 0.0028425414019798037], [184.189743, 0.0027651133464962944], [184.196701, 0.0021283922151579507], [184.204742, 0.002359553315065976], [184.212341, 0.002332522509333867], [184.219864, 0.002088411372339214], [184.22699, 0.001632001162653814], [184.235107, 0.002029025662032194], [184.242142, 0.001571709783691646], [184.250305, 0.002067577809658985], [184.257477, 0.0015036105852413407], [184.264526, 0.0011086018297345745], [184.295883, 0.001776443483329202], [184.301926, 0.0009736353857152839], [184.333725, 0.0013645612471060468], [184.339523, 0.0007349101278555508], [207.389633, 0.0007209685748494283], [207.581039, 0.0007506525975474015], [223.146057, 0.0007123918713768758], [296.610596, 0.0007553381957810252], [377.266907, 0.0009744602080105202], [478.331146, 0.0012747705772401998], [496.338837, 0.003127702239266651], [526.324585, 0.0008860673898957842], [567.861877, 0.0007686657818196088], [577.509033, 0.0009040421606525716], [577.668396, 0.0009014231043469355], [598.477661, 0.001211828644658425], [599.493958, 0.004301123512539108], [723.494629, 0.0015720877529906178], [747.404419, 0.0006968700712350373], [774.348328, 0.0007534809200546298], [782.567322, 0.016194961650225725], [784.517273, 0.0008583189656707034], [973.535461, 0.0007991643926263171], [996.710754, 0.0006995417941888365], [1111.219971, 0.000836825638870997], [1260.938354, 0.0009438440190993739], [1293.409912, 0.0007247163991803615], [1296.074829, 0.0011423737466873267], [1297.474365, 0.0017195947674835932], [1310.456055, 0.001025886125772957]]
PC 16:0/20:4	MassSpecGymID0006251	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[166.070374, 0.005292265473763644], [183.977066, 1.0], [184.723877, 0.030631802321616157], [185.837585, 0.001917151940102536], [311.227905, 0.000657125940793553], [422.526001, 0.0007161986478243621], [476.612213, 0.001370658778574744], [478.391327, 0.0045573256477122945], [494.369385, 0.0009909693708757578], [496.385529, 0.017592782486475333], [496.98877, 0.0005671457283930127], [497.707092, 0.0019005007391402304], [526.466187, 0.004303291938636742], [544.402344, 0.004857056056075542], [599.549683, 0.004829723286465409], [600.225769, 0.0013116045520273523], [723.467896, 0.0005957997396470538]]
PC 16:0/20:4	MassSpecGymID0006252	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[95.886391, 0.0005594085409853256], [98.984398, 0.004159399819713205], [100.616447, 0.0006035533538608168], [103.581467, 0.0006413321225369065], [104.107262, 0.00736236402129168], [106.818703, 0.0005744898256074925], [106.920654, 0.0006749640424284593], [125.000015, 0.0268019436487829], [128.941086, 0.0005507379137754325], [142.604691, 0.000584121659775301], [183.745117, 0.0008739879352495293], [183.751083, 0.0006133581419841248], [183.760284, 0.0010303818927069664], [183.77507, 0.0011699098819410736], [183.782394, 0.0009310212421047834], [183.788742, 0.0006993788752842894], [183.81279, 0.001175358606127403], [183.819107, 0.0008622697596218562], [183.827728, 0.0011516693083922522], [183.834793, 0.001039935653778809], [183.84285, 0.0012709607502913943], [183.850449, 0.0014104229609807296], [183.857437, 0.0013188149432063925], [183.864944, 0.0014570960453877146], [183.872437, 0.0013329485085954288], [183.881119, 0.0019033426868496084], [183.895721, 0.00181917749953174], [183.902817, 0.00179534969338124], [183.910782, 0.0019397487177427726], [183.925995, 0.002308726646288984], [183.932373, 0.0018436612234678704], [183.940964, 0.002636938278067481], [183.947983, 0.002227394915903347], [183.955276, 0.0021838756734659207], [183.963669, 0.0029039119645566116], [183.969376, 0.002175428423502229], [183.978516, 0.003290286135898177], [183.986023, 0.0035675748091395032], [183.993301, 0.0034308233172010674], [184.000809, 0.003636206510372427], [184.008591, 0.004453211977063912], [184.016098, 0.004788531010295561], [184.023514, 0.004989893827922286], [184.031067, 0.0060416543658737745], [184.039291, 0.00742274331811634], [184.073608, 1.0], [184.099823, 0.007980001606639595], [184.104614, 0.005690998767145147], [184.11412, 0.0064101921800184284], [184.121765, 0.006178712755124753], [184.128738, 0.004731805430765865], [184.136597, 0.0044751716314194], [184.144241, 0.004242071606112636], [184.151794, 0.0038007877162163986], [184.15921, 0.0032389786738314984], [184.166534, 0.002972271214017143], [184.174942, 0.0036002121659350333], [184.180344, 0.0022713082070199607], [184.190094, 0.0029400084005949323], [184.19545, 0.001888333768990565], [184.204529, 0.0021268158061941655], [184.212753, 0.0026334623910611236], [184.227936, 0.00241487369081051], [184.233292, 0.0014530570982952144], [184.242828, 0.0020276587162840745], [184.249557, 0.0014803764579411024], [184.258133, 0.0016632233452143388], [184.264587, 0.0014658483251213837], [184.272705, 0.0016324175158961437], [184.280106, 0.0013263593465122933], [184.287964, 0.0016491908339232402], [184.293808, 0.0010126957678658908], [184.303757, 0.0016590623862218158], [184.325867, 0.001179044797674965], [184.33345, 0.0010338563271905465], [184.340454, 0.0010159896745185633], [184.348251, 0.0009683417398379581], [184.354919, 0.0006868467162639948], [184.364273, 0.0014999645576208582], [184.379288, 0.0013833776093882786], [184.416687, 0.0008518910693707083], [184.439545, 0.0010654634303303807], [185.874649, 0.0006086074587439707], [190.757202, 0.00057916928337234], [313.274292, 0.0011779717983622423], [316.122162, 0.0006752012705201793], [329.884399, 0.0005840042129335842], [341.228271, 0.0007078031961317835], [341.955292, 0.0006528239121145566], [478.328857, 0.0016759979717934752], [496.340698, 0.004085693833909004], [511.97052, 0.0006035971889198867], [526.330688, 0.0020809409868182776], [599.497681, 0.0010616484830071236], [672.528137, 0.0006747478240378781], [681.947083, 0.000651222402000828], [720.317566, 0.0006850098974603249], [738.963684, 0.0006581512469106251], [782.573975, 0.003045026834918406]]
PC 16:0/20:4	MassSpecGymID0006253	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[166.135727, 0.007080228562180053], [184.072174, 1.0], [185.126678, 0.010097833721653392], [313.381104, 0.0007436324850540119], [420.581116, 0.000849579075053591], [422.410583, 0.0004686507939431423], [476.393921, 0.00043078605643589085], [478.448761, 0.0083268886359149], [494.546112, 0.0023043542746236986], [495.275757, 0.001574340722627444], [496.301727, 0.013563069101820717], [496.926239, 0.0016891490100248126], [497.841949, 0.0004212499652873838], [526.437683, 0.008721561241882376], [527.362793, 0.001952221771390296], [528.37323, 0.00458887851939407], [544.395691, 0.005671481595156132], [597.632202, 0.0005148083782466078], [598.890076, 0.0015656765475075196], [599.849365, 0.0020124851765438334], [723.671875, 0.009505463223187856]]
PC 16:0/20:4	MassSpecGymID0006254	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[90.84005, 0.0005458811724078166], [97.391449, 0.0008462716070035141], [98.984001, 0.004724934337798041], [104.10688, 0.006558843782332047], [111.608719, 0.0005692784096095291], [124.999733, 0.02526490282694204], [143.334213, 0.0006725677117557528], [151.446472, 0.000612535716321123], [183.715134, 0.0011921031510855999], [183.872757, 0.001611000584143361], [183.879761, 0.0013295332002019298], [183.895554, 0.0020028217753099145], [183.902588, 0.0016021066102882798], [183.918015, 0.0021661023104239847], [183.925385, 0.0020614796365338605], [183.940613, 0.0024563356527260907], [183.947922, 0.002353842530204329], [183.955734, 0.0028474806972709956], [183.963226, 0.002893996449671561], [183.970459, 0.002843496547022481], [183.978363, 0.0035481181755018538], [183.98584, 0.0037364878295267135], [183.993179, 0.0036073458979406637], [184.000839, 0.004109963185458327], [184.008575, 0.005293566239495751], [184.015869, 0.0050306844611659705], [184.023407, 0.0055282106929341965], [184.031189, 0.006862855496419681], [184.038467, 0.006636456069853495], [184.046112, 0.006538625609365669], [184.07309, 1.0], [184.099075, 0.0060193195927571675], [184.106689, 0.00783776369894895], [184.11377, 0.006086715473630672], [184.121719, 0.006464510244457715], [184.12915, 0.005688656408774714], [184.136566, 0.004628257199521514], [184.14415, 0.004255240689032591], [184.151962, 0.00442624044135066], [184.159149, 0.003470817205152541], [184.166962, 0.00343022771364033], [184.174393, 0.0032437709011194694], [184.182251, 0.0032806911073293417], [184.189224, 0.0023659599524427986], [184.197006, 0.0022752821000703123], [184.204788, 0.0025660830862190456], [184.212234, 0.002353635133256285], [184.227509, 0.002325639500462062], [184.234772, 0.001946064338361901], [184.265518, 0.0019873184462112043], [184.272339, 0.00156662251343613], [184.279724, 0.0011764283462415543], [184.288239, 0.001599711271514648], [184.294861, 0.0012389917154083518], [187.053802, 0.0008198333731062456], [248.531555, 0.000576555596324998], [248.544189, 0.0005497242986381846], [290.02951, 0.0005852825291712173], [295.872162, 0.0007122259864893196], [313.27243, 0.001457946507703684], [333.457397, 0.0006721345137676338], [401.168884, 0.0008051130673127211], [478.330414, 0.0010629313590680349], [496.338348, 0.00357259604250063], [526.332764, 0.0012961014906516628], [606.515503, 0.0007190779207546485], [609.028198, 0.0006682012888542752], [782.566162, 0.0033615581818859552]]
PC 16:0/20:4	MassSpecGymID0006255	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[166.054245, 0.0019517136224745616], [184.031952, 1.0], [184.84407, 0.028560336524978937], [313.185272, 0.0006934345691564141], [422.433441, 0.0008093036256356642], [476.298584, 0.0004322429236913107], [478.448914, 0.0014523918624363265], [494.387909, 0.00047043610603591005], [496.420288, 0.02034943990201194], [497.690735, 0.000962187656027145], [518.582031, 0.0009300803164939147], [526.277832, 0.01541234398020158], [529.343628, 0.0005659825341430708], [544.429565, 0.004042376764651323], [598.430298, 0.0005250923497032461], [599.613281, 0.009388201339989131], [722.566895, 0.0030809366487700783], [723.548828, 0.00604644327882047], [782.805664, 0.0009364867183694344]]
PC 16:0/20:4	MassSpecGymID0006256	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[96.824646, 0.0006595247464863722], [96.869514, 0.0007384884084248988], [97.390572, 0.0007541222196441288], [97.74369, 0.0006637465922425453], [98.984383, 0.00398712490320784], [104.107201, 0.007487898236234586], [104.677826, 0.0005884765094675605], [116.641006, 0.0006038905148115447], [124.287399, 0.000730591047453987], [124.999977, 0.02416651923372319], [140.237045, 0.0006533016726716733], [183.767471, 0.0008822481814070059], [183.805542, 0.001113547041522686], [183.820541, 0.001461788111454958], [183.826202, 0.0008334835799196374], [183.835541, 0.0013535846932255376], [183.84108, 0.000932623638069094], [183.858124, 0.0016666481687230134], [183.864288, 0.001029706986028514], [183.873001, 0.0016822968806286282], [183.879486, 0.0013998277498478006], [183.887833, 0.0015611335326274397], [183.895615, 0.0018911350035400955], [183.902328, 0.0014741120568508817], [183.910446, 0.0018012456045022036], [183.917969, 0.0019825497661303646], [183.925613, 0.0020712970571006408], [183.932663, 0.0018819436973940363], [183.940964, 0.0025089665206103795], [183.947311, 0.001912098513662825], [183.955856, 0.002596185118245838], [183.962982, 0.002416409816429896], [183.970825, 0.003007198845002294], [183.978317, 0.0030822653128948297], [183.985657, 0.0031329133105160696], [183.993469, 0.0037764459218662654], [184.001053, 0.004135867663721105], [184.008148, 0.003953336485116511], [184.016281, 0.005297229742095563], [184.023209, 0.004861929403608562], [184.031342, 0.006628730627076812], [184.038681, 0.00636840590621415], [184.045044, 0.004980157900149702], [184.073502, 1.0], [184.099503, 0.007111156408885546], [184.10614, 0.006128350107302485], [184.113892, 0.006110597152861374], [184.121857, 0.006326564793805847], [184.128235, 0.0043561250359294545], [184.137131, 0.0056954385394502], [184.143433, 0.0036755371778432132], [184.151733, 0.0038249425608213633], [184.159775, 0.004114939782042467], [184.165527, 0.0026175646820111153], [184.174515, 0.003022273672566485], [184.18222, 0.0030457934403087736], [184.18898, 0.002328566555627746], [184.197662, 0.002931996189879538], [184.212448, 0.0022191745791736005], [184.219894, 0.002039559438868015], [184.226746, 0.0015677086454535987], [184.235046, 0.0019277317421685298], [184.242767, 0.0019030971703785813], [184.248734, 0.001250429276129323], [184.258301, 0.002156328667604555], [184.272964, 0.0014943863064196855], [184.279922, 0.0011698732807990438], [184.303116, 0.0013254930802129546], [184.310104, 0.001028179041884623], [184.340942, 0.0010072409211851828], [184.348312, 0.0010432229026703043], [184.355408, 0.0009318213321354576], [184.379074, 0.0012901217769403994], [184.384644, 0.0007935021391024813], [184.417038, 0.0011492315921001913], [184.422974, 0.0006355948770309092], [184.477707, 0.0011450998579912819], [184.483337, 0.0006817862391169555], [205.342453, 0.0007016416879742965], [241.452255, 0.0007264255162802624], [262.071686, 0.0006444894182002676], [263.476074, 0.0008223680880765186], [327.643372, 0.0006131951576940775], [341.91452, 0.0008008729815787173], [356.847443, 0.0007257693868602363], [368.567688, 0.0007414577229232988], [377.838715, 0.0007544447069989213], [383.565765, 0.0006550442615290928], [397.579803, 0.0007917235472055069], [419.489075, 0.0009540938545971204], [443.926941, 0.0006812370782679053], [453.928284, 0.0006441715925110572], [463.092407, 0.0007688493368863288], [475.379425, 0.0007825817712615851], [478.3302, 0.0017908013092642074], [496.338196, 0.0041094393496316954], [526.328308, 0.0011756092938204235], [564.100769, 0.0006362805997269531], [732.544434, 0.0010994435885188388], [748.994446, 0.000800462755007492], [782.569885, 0.0016552737047026754]]
PC 16:0/20:4	MassSpecGymID0006257	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	IIZPXYDJLKNOIY	C44H80NO8P	C44H81NO8P	781.562724	782.57	[M+H]+	Orbitrap	null	train	false	[[165.954971, 0.0018987023131671497], [173.127777, 0.00014529642934719045], [184.009979, 1.0], [184.870514, 0.004238089481986456], [313.395081, 0.0003560488927999663], [350.121826, 0.00031810059142669547], [422.468018, 0.0007262397311010488], [434.455688, 0.00033700188189660026], [460.59375, 0.0002370345059758417], [470.738953, 8.258538927906837e-05], [478.493835, 0.005586769938295327], [496.395935, 0.019058317406213044], [504.67981, 0.00010853773725604499], [526.408386, 0.011853325032814064], [527.092834, 0.00043791438391557026], [543.490784, 0.0002651262560159116], [544.481445, 0.0051405182307572815], [564.552063, 0.0007278068534206147], [585.348022, 0.0004016797186499604], [598.338806, 0.0014635634612540323], [599.6427, 0.002532025264198851], [721.624512, 0.0005144315279874103], [722.602966, 0.005515574777387289], [723.554626, 0.0015843488773908162], [737.790833, 0.00019515659595166352], [765.687744, 8.871639057059031e-05], [781.566528, 0.0008610163863005849]]

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