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1
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] | 10-20-40 | cfm-predict 4 | true | COC1(NC(=O)CCCC(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnc(SCC(=O)O)s3)CSC21 | [M+H]+ | Cephalosporins |
765.440002 | 1 | [
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153.126999 | 1 | [
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] | null | Orbitrap | false | CC12CCC(CC1=O)C2(C)C | [M+H]+ | Camphane monoterpenoids |
291.086823 | 1 | [
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] | Ramp 5-45 V | LC-Q-TOF/MS | false | Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2 | [M+H]+ | Flavan-3-ols |
244.227097 | 1 | [
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463.197357 | -1 | [
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] | 10-20-40 | cfm-predict 4 | true | CCCCCCCCC=CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC=CCCCCCCCC | [M-H]- | Glycerophosphoglycerophosphoglycerols |
369.130005 | 1 | [
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405.228271 | -1 | [
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361.089996 | 1 | [
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875.71344 | -1 | [
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405.11911 | -1 | [
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1,125.5 | 1 | [
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793.727966 | 1 | [
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492.20755 | 1 | [
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259.061615 | -1 | [
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579.170837 | 1 | [
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299.165283 | -1 | [
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179.056 | -1 | [
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267.140015 | 1 | [
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] | 10-20-40 | cfm-predict 4 | true | CC(=O)OC(C)C(C)C(=O)OC1CC(C)C(O)CC=C2CC(OC2=O)C1C(C)C | [M-H]- | Germacrane sesquiterpenoids |