precursor_mz
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] | 5 | 49 | true | O=c1c2ccccc2nc2n1Cc1cc3ccccc3nc1-2 | [M-H]- | Quinazoline alkaloids |
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] | 5 | 49 | true | CCc1c(OC)cc2c(c1O)C(=O)CC1(OC)OC(C(=O)OC)CC21O | [M-H]- | Naphthalenones |
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] | 5 | 49 | true | C=c1c(=CC)c2cc3[nH]c(cc4[nH]c5c(c(=O)c(O)c-5c5[nH]c(cc1[nH]2)c(C)c5CCC(=O)O)c4=C)c(CC)c3C | [M-H]- | Carboline alkaloids |
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511.172211 | -1 | [
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433.380005 | 1 | [
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] | 5 | 49 | true | C=C(C)C1CCC2(C)Oc3cc(O)cc(C)c3CC12 | [M+H]+ | Miscellaneous meroterpenoids |
201.092102 | -1 | [
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] | 5 | 49 | true | CC(C)Cc1ccc2oc(=O)ccc2c1 | [M-H]- | Simple coumarins |
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] | 5 | 49 | true | COc1cc2c(cc1O)CC[N+]1([O-])Cc3cc(OC)c(OC)cc3CC21 | [M+H]+ | Isoquinoline alkaloids |
335.092499 | -1 | [
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230.116699 | 1 | [
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] | 5 | 49 | true | C=C(CC(=O)O)CC1CC(O)C2(C)OC3CC4OC5CC6(C)OC7(C)CCC8OC9CC%10(C)OC%11C(C)=CC(=O)OC%11CC%10OC9CC(C)C8OC7CC6OC5(C)CC=CC4OC3CC2O1 | [M+H]+ | Ladder polyethers |
293.040009 | 1 | [
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] | 51 | 31 | false | O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12 | [M+Na]+ | Isoflavones |
249.148514 | 1 | [
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335.076447 | -1 | [
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] | 5 | 49 | true | C=CC(C)(C)C12Nc3cc(Br)ccc3C1(O)CCN2C | [M-H]- | null |
377.207092 | 1 | [
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] | 5 | 49 | true | CC1(C)CC2C(CCC23CO3)C2(C)CC2C1 | [M+H]+ | Africanane sesquiterpenoids |
192.068893 | 1 | [
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] | 5 | 49 | true | CCCCCCC=CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O | [M-H]- | Fatty acyl CoAs |
561.249817 | -1 | [
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] | 5 | 25 | false | C=C1C(=CC)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)C(CC)=C5C)c(C)c4CCC(=O)O)c(C=CC(=O)O)c3C | [M-H]- | null |
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] | 5 | 49 | true | C=C(C=O)C1CCC2(O)CCCC(C)C2(C)C1 | [M+H]+ | Eremophilane sesquiterpenoids |
445.114014 | -1 | [
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1
] | 5 | 49 | true | CC1=CC(=O)C(CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2OP(=O)(O)O)C1(C)C | [M+H]+ | Fatty acyl CoAs |
Subsets and Splits