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412.042297 | 1 | [
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] | 10-20-40 | cfm-predict 4 | true | COC1=CC2(CCC1=O)CCC1c3c(cc(OC)c(O)c32)CC[N+]1(C)[O-] | [M-H]- | Isoquinoline alkaloids |
301.029999 | 1 | [
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350.15979 | 1 | [
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] | 10-20-40 | cfm-predict 4 | true | CCCCCCCCC1CC(=O)NC(CO)C(=O)CC(CCCCCCC)CC(=O)NC(CO)C(=O)O1 | [M+H]+ | Cyclic peptides |
759.197815 | 1 | [
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766.536011 | -1 | [
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1
] | 10-20-40 | cfm-predict 4 | true | C=C1C2CCC3(C1O)C1CC4C5(C)C=NC1C4(CCC5)C3C2O | [M+H]+ | Terpenoid alkaloids |
444.212921 | 1 | [
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571.124573 | -1 | [
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151.061005 | -1 | [
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209.059998 | 1 | [
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785.51001 | 1 | [
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425.289764 | 1 | [
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403.140015 | 1 | [
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] | 10-20-40 | cfm-predict 4 | true | CCC=CCC=CCC=CCC=CCC=CCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCC)OC(=O)CCCCCCCCCCCC=CCC=CCCCCC | [M+H]+ | Triacylglycerols |
310.049988 | 1 | [
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] | 10 | QTOF | false | Oc1cc(O)c2cc(O)c(-c3ccc(O)c(O)c3)[o+]c2c1 | [M+Na]+ | Anthocyanidins |
269.082001 | 1 | [
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179.107758 | -1 | [
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405.410004 | 1 | [
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367.191711 | 1 | [
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0.0006897447747178376,
0.0008527494501322508,
0.0006052172393538058,
0.0007164376438595355,
0.0007781872409395874,
0.07622925192117691,
0.13913999497890472,
0.010071946308016777,
0.0005276298034004867,
0.0006888550124131143,
0.0012586596421897411,
0.02294113114476204,
0.0038523206021636724,
0.0005427558207884431,
0.0005557463737204671,
0.11909148097038269,
0.0025991774164140224,
0.0006196313770487905,
0.0005315447924658656,
0.0005244266940280795,
1,
0.0005427558207884431,
0.0005340361385606229,
0.0009173462749458849,
0.0011764455121010542,
0.1148117184638977
] | null | Orbitrap | false | Cc1cccc(NC(=O)CSc2nc(=O)c3ccccc3[nH]2)c1C | [M+H]+ | null |