precursor_mz
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391.139832 | -1 | [
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341.138397 | 1 | [
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758.534119 | -1 | [
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] | 10-20-40 | cfm-predict 4 | true | CC(C)CCCC(C)C1CCC2(C)C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C | [M-H]- | Cholestane steroids |
479.22757 | 1 | [
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388.132996 | 1 | [
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169.15979 | -1 | [
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1
] | 10-20-40 | cfm-predict 4 | true | C=CCCCCCCCCCO | [M-H]- | Fatty alcohols |
264.060486 | 1 | [
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] | HCD (NCE 20-30-40%) | LC-ESI-QFT | false | Clc1ccccc1CN1CCc2sccc2C1 | [M+H]+ | null |
323.089996 | 1 | [
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] | 10 | QTOF | false | Cc1c(O)c(C)c2c(c1O)C(=O)CC(c1ccc(O)cc1)O2 | [M+Na]+ | Flavanones |
243.101578 | 1 | [
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] | 20 eV | LC-ESI-QTOF | false | CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O | [M+H]+ | Naphthoquinones |
425.317352 | -1 | [
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314.138 | 1 | [
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] | 10-20-40 | cfm-predict 4 | true | CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC=CCC=CCCCCC | [M-H]- | Triacylglycerols |
422.160004 | 1 | [
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] | 80 | QTOF | false | COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2 | [M+Na]+ | Phenethylisoquinoline alkaloids |
228.059998 | 1 | [
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] | null | Orbitrap | false | COc1ccc2[nH]cc(CC(=O)O)c2c1 | [M+Na]+ | Simple indole alkaloids |
310.115906 | -1 | [
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] | HCD (NCE 20-30-40%) | LC-ESI-QFT | false | CN(C)c1nc(=O)c2ncn(C3OC(CO)C(O)C3O)c2[nH]1 | [M-H]- | Purine nucleos(t)ides |
429.37381 | -1 | [
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315.195465 | 1 | [
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481.309998 | 1 | [
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405.299927 | 1 | [
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] | 10-20-40 | cfm-predict 4 | true | CC(C)=CC(=O)OCC1(O)CC23CC1CCC2C1(C)CCCC(C)(C)C1CC3O | [M+H]+ | Kaurane and Phyllocladane diterpenoids |
189.141998 | 1 | [
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913.822937 | -1 | [
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345.096893 | 1 | [
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361.164551 | 1 | [
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379.152008 | 1 | [
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825.233093 | -1 | [
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] | 10-20-40 | cfm-predict 4 | true | CC1CCCCC(CCCCBr)c2c(O)cc(cc2O)C(OC(N)=O)C(C)CCCCC(CCCCBr)c2c(O)cc(cc2O)C1OC(N)=O | [M-H]- | Dialkylresorcinols |
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1
] | 10-20-40 | cfm-predict 4 | true | CC1CCC2(CC3C(CC4C5CCC6CC(O)CCC6(C)C5CC(=O)C34C)O2)OC1 | [M-H]- | Spirostane steroids |
Subsets and Splits