precursor_mz
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int32 -2
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307.082001 | 1 | [
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] | null | Orbitrap | false | Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2 | [M+H]+ | Flavan-3-ols |
163.054001 | 1 | [
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205.097153 | 1 | [
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381.115997 | 1 | [
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290.138702 | 1 | [
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410.179993 | 1 | [
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781.330017 | 1 | [
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497.181702 | -1 | [
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] | 10-20-40 | cfm-predict 4 | true | COC(=O)C1OC(=O)C2C3(C)C(=O)C(=CC4C5CC(=O)OC(c6ccoc6)C5(C)CCC43)C(O)C12C | [M-H]- | Limonoids |
340.149994 | 1 | [
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267.185608 | 1 | [
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397.164551 | 1 | [
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] | 10-20-40 | cfm-predict 4 | true | CCCC1(O)CCC2=C(CCCC2=O)O1 | [M-H]- | null |
435.359802 | 1 | [
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1,123.590576 | -1 | [
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] | 10 eV | LC-ESI-QTOF | false | CC(C)=CCCC(C)(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C | [M+CHO2]- | Dammarane and Protostane triterpenoids |
310.016296 | 1 | [
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225.098297 | 1 | [
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204.070007 | 1 | [
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] | 80 | QTOF | false | O=C(O)C(=O)Cc1c[nH]c2ccccc12 | [M+H]+ | Simple indole alkaloids |
345.170746 | -1 | [
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] | 10-20-40 | cfm-predict 4 | true | CC1(C)CCC2(C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C(=O)O)C5CCC43C)C2C1 | [M+H]+ | Oleanane triterpenoids |
235.132904 | 1 | [
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455.301422 | -1 | [
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627.324951 | 1 | [
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] | 10-20-40 | cfm-predict 4 | true | CN1CCc2c([nH]c3ccccc23)C(c2ccccc2)C(O)C1=O | [M-H]- | Carboline alkaloids |
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