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299.20166 | -1 | [
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] | 10-20-40 | cfm-predict 4 | true | CC(C)=CC1CC(C)(O)C2C3CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(COC8OC(COC9OC(CO)C(O)C(O)C9O)C(O)C(O)C8O)C(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C34COC2(C4)O1 | [M-H]- | Oleanane triterpenoids |
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229.089996 | 1 | [
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207.078003 | -1 | [
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345.207123 | -1 | [
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1
] | 10-20-40 | cfm-predict 4 | true | COc1c(C(C)C)cc2c(c1O)C1(C)CCCC(C)(C)C1C(=O)C2O | [M-H]- | Abietane diterpenoids |
571.140015 | 1 | [
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353.185974 | 1 | [
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545.23999 | 1 | [
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171.137955 | 1 | [
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395.145599 | 1 | [
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287.130005 | 1 | [
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] | 10-20-40 | cfm-predict 4 | true | COC1=CC(O)(C(C)=O)c2ccc(OC)cc21 | [M+H]+ | null |
259.15509 | -1 | [
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303.160004 | 1 | [
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] | null | Orbitrap | false | CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1 | [M+H]+ | Dibenzylbutane lignans |
155.046204 | -1 | [
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504.230011 | 1 | [
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248.165604 | -1 | [
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] | 10-20-40 | cfm-predict 4 | true | CC1CCC2C(C)CCC(c3ccoc3)[N+]2([O-])C1 | [M-H]- | Quinolizidine alkaloids |
396.179993 | 1 | [
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739.209106 | -1 | [
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219.175446 | -1 | [
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1
] | 10-20-40 | cfm-predict 4 | true | CC(C)C1CCC2(C)C3CC=C(CO)C2C13 | [M-H]- | Copaane sesquiterpenoids |
315.231842 | 1 | [
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] | 10-20-40 | cfm-predict 4 | true | C=C(C)C1CCc2cc(C(C)C)ccc2C1(C)CCC(=O)OC | [M+H]+ | Abietane diterpenoids |
318.050293 | 1 | [
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] | 10-20-40 | cfm-predict 4 | true | COc1ccc(C=CC(=O)OC2C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(CO)C(O)C(O)C7O)C(C)(C(=O)O)C6CCC5(C)C3(CO)CC4)C(OC3OC(C)C(OC4OCC(OC5OC(CO)C(O)C(OC6OC(C)C(O)C(O)C6O)C5O)C(O)C4O)C(O)C3O)C2O)cc1 | [M-H]- | Oleanane triterpenoids |
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] | 10-20-40 | cfm-predict 4 | true | CCCCCC=CCC=CCC=CCC=CCCCCCC(=O)OCC(COC(=O)CCCC=CCC=CCC=CCC=CCCCCC)OC(=O)CCCCCCCCCCCC=CCCCCCCCC | [M-H]- | Triacylglycerols |
823.47998 | 1 | [
173.0050048828125,
173.00900268554688,
203.052001953125,
463.3529968261719,
643.4169921875,
823.4810180664062
] | [
0.007000000216066837,
0.007000000216066837,
1,
0.024000000208616257,
0.6600000262260437,
0.012000000104308128
] | null | Orbitrap | false | CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C | [M+Na]+ | Dammarane and Protostane triterpenoids |