precursor_mz
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int32 -2
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449.107849 | 1 | [
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457.171539 | -1 | [
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] | 10-20-40 | cfm-predict 4 | true | CCCCCCC=CCCCCCCCCCCOCC(O)COP(=O)([O-])OCC[N+](C)(C)C | [M-H]- | Glycerophosphocholines |
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] | 10-20-40 | cfm-predict 4 | true | CCCCCC(=O)C=CC=CC#CC#CCCCO | [M-H]- | Fatty alcohols |
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565.150024 | 1 | [
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147.081543 | -1 | [
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] | 10-20-40 | cfm-predict 4 | true | C=C(C)c1ccc(C)cc1O | [M-H]- | Menthane monoterpenoids |
723.119324 | -1 | [
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] | 10-20-40 | cfm-predict 4 | true | CCC12SSC3(C(=O)N1C)C(O)C1(C45c6ccccc6NC4N4C(=O)C6(CC)SSC4(C(=O)N6C)C5O)c4ccccc4NC1N3C2=O | [M-H]- | Indole diketopiperazine alkaloids (L-Trp, L-Ala) |
691.381348 | 1 | [
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160.133209 | 1 | [
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1,109.610229 | 1 | [
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369.242432 | 1 | [
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495.350006 | 1 | [
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413.160583 | -1 | [
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500.251465 | -1 | [
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361.200989 | 1 | [
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269.08194 | -1 | [
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281.138336 | 1 | [
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407.098389 | -1 | [
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129.065857 | 1 | [
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315.085785 | 1 | [
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] | 10-20-40 | cfm-predict 4 | true | CC1CCC2(CO)C(CO)=CCCC2C1(C)CCc1ccoc1 | [M+H]+ | Colensane and Clerodane diterpenoids |
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474.161011 | 1 | [
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