1 | CCMSLIB00000078679 | GNPS-PRESTWICKPHYTOCHEM | "NCGC00160272-01 | 5-(3-Furan-2-yl-acryloyl)-2,2-dimethyl-4,6-dioxo-cyclohexanecarboxylic acid methyl ester" |
| M+H | 319.12 | qTOF | Dorrestein | 1 | vphelan | 2014-05-02 16:39:07.0 | C1C(%3DO)C(C(%3DO)%5CC%3DC%5CC2%3DCC%3DCO2)C(%3DO)CC1(C)C&inchi=N%2FA&width=350&height=250) |
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2 | CCMSLIB00000078680 | GNPS-PRESTWICKPHYTOCHEM | "NCGC00160316-01 | 6,7-didehydro-26,28didemethyl-16,28-secosolanidan-3,16-diol" |
| M+H | 402.34 | qTOF | Dorrestein | 1 | vphelan | 2014-05-02 16:39:07.0 | CC2C3C%3DCC4C%5BC%40%40H%5D(O)CC%5BC%40%5D4(C)%5BC%40H%5D3CC%5BC%40%5D12C)%5BC%40%40H%5D5CCCCN5&inchi=N%2FA&width=350&height=250) |
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3 | CCMSLIB00000078681 | GNPS-PRESTWICKPHYTOCHEM | "NCGC00160261-01 | 10b-Methyl-3,4,5,6,10b,11-hexahydro-2H-4b-aza-chrysene-1,12-dione" |
| M+H | 282.15 | qTOF | Dorrestein | 1 | vphelan | 2014-05-02 16:39:07.0 | C3%3DC(CCCC3%3DO)N1CCC4%3DCC%3DCC%3DC24&inchi=N%2FA&width=350&height=250) |
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4 | CCMSLIB00000078682 | GNPS-PRESTWICKPHYTOCHEM | "NCGC00160261-01 | 10b-Methyl-3,4,5,6,10b,11-hexahydro-2H-4b-aza-chrysene-1,12-dione" |
| M+Na | 304.13 | qTOF | Dorrestein | 1 | vphelan | 2014-05-02 16:39:07.0 | C3%3DC(CCCC3%3DO)N1CCC4%3DCC%3DCC%3DC24&inchi=N%2FA&width=350&height=250) |
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5 | CCMSLIB00000078683 | GNPS-PRESTWICKPHYTOCHEM | | M+H | 231.10 | qTOF | Dorrestein | 1 | vphelan | 2014-05-02 16:39:07.0 | C(C)C(O)%3DO&inchi=N%2FA&width=350&height=250) |
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6 | CCMSLIB00000078684 | GNPS-PRESTWICKPHYTOCHEM | "NCGC00160297-01 | 5-[2-(6-Hydroxy-4,7-dimethoxy-benzofuran-5-yl)-2-oxo-ethyl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium" |
| M+H | 470.18 | qTOF | Dorrestein | 1 | vphelan | 2014-05-02 16:39:07.0 | C(C(%3DO)CC3C4%3DC(OC)C5%3DC(OCO5)C%3DC4CC%5BN%2B%5D3(C)C)%3DC1O&inchi=N%2FA&width=350&height=250) |
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7 | CCMSLIB00000078685 | GNPS-PRESTWICKPHYTOCHEM | NCGC00160189-01 | 8-OXO-PSEUDOPALMATINE |
| M+H | 368.15 | qTOF | Dorrestein | 1 | vphelan | 2014-05-02 16:39:07.0 | C3%3DCC4%3DC(C%3DC(OC)C(OC)%3DC4)C(%3DO)N3CC2&inchi=N%2FA&width=350&height=250) |
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8 | CCMSLIB00000078686 | GNPS-PRESTWICKPHYTOCHEM | NCGC00160175-01 | PTEROCARPIN METHYLETHER |
| M+H | 299.09 | qTOF | Dorrestein | 1 | vphelan | 2014-05-02 16:39:07.0 | %5BC%40%40H%5D3OC4%3DC(C%3DC5OCOC5%3DC4)%5BC%40%40H%5D3CO2&inchi=N%2FA&width=350&height=250) |
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9 | CCMSLIB00000078687 | GNPS-PRESTWICKPHYTOCHEM | "NCGC00160147-01 | 2-[2-(4-Methyl-2-oxo-2H-chromen-7-yloxy)-acetyl]-1,2,3,4-tetrahydro-beta-carbolin-3-ylcarboxylic acid methyl ester" |
| M+H | 447.16 | qTOF | Dorrestein | 1 | vphelan | 2014-05-02 16:39:07.0 | %5BC%40H%5D1CC2%3DC(CN1C(%3DO)COC3%3DCC%3DC4C(C)%3DCC(%3DO)OC4%3DC3)NC5%3DCC%3DCC%3DC25&inchi=N%2FA&width=350&height=250) |
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10 | CCMSLIB00000078688 | GNPS-PRESTWICKPHYTOCHEM | "NCGC00160277-01 | 3-Methoxy-dictamnine-4-(2,3,4-trimethoxy)-benzoic acid" |
| M+H | 440.13 | qTOF | Dorrestein | 1 | vphelan | 2014-05-02 16:39:07.0 | %3DC1OC)C(%3DO)OC2%3DC(OC)C3%3DC(C%3DC2)C(OC)%3DC4C%3DCOC4%3DN3&inchi=N%2FA&width=350&height=250) |
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11 | CCMSLIB00000078689 | GNPS-PRESTWICKPHYTOCHEM | NCGC00160322-01 | DESMOTROPOSANTONIN |
| M+H | 247.13 | qTOF | Dorrestein | 1 | vphelan | 2014-05-02 16:39:07.0 | C(C)%3DC(O)C%3DC3C&inchi=N%2FA&width=350&height=250) |
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12 | CCMSLIB00000078690 | GNPS-PRESTWICKPHYTOCHEM | NCGC00015959-03 | SANGUINARINE |
| M+H | 332.09 | qTOF | Dorrestein | 1 | vphelan | 2014-05-02 16:39:07.0 | %3DC(C%3DC5)C(C%3DC4)%3DC1C2%3DC4C%3DC6C(OCO6)%3DC2&inchi=N%2FA&width=350&height=250) |
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13 | CCMSLIB00000078691 | GNPS-PRESTWICKPHYTOCHEM | "NCGC00160309-01 | 12-(3-(3,4-Dimethoxyphenyl)acryloyl)-cytisine" |
| M+H | 381.18 | qTOF | Dorrestein | 1 | vphelan | 2014-05-02 16:39:07.0 | C%3DC(%5CC%3DC%5CC(%3DO)N2C%5BC%40%40H%5D3CC(C2)C4%3DCC%3DCC(%3DO)N4C3)C%3DC1&inchi=N%2FA&width=350&height=250) |
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14 | CCMSLIB00000078692 | GNPS-PRESTWICKPHYTOCHEM | "NCGC00160197-01 | (2-{4,5-Dimethoxy-2-[2-(4-methoxy-phenyl)-vinyl]-phenyl}-ethyl)-trimethyl-ammonium" |
| M+H | 356.22 | qTOF | Dorrestein | 1 | vphelan | 2014-05-02 16:39:07.0 | (C)C)C%3DC(OC)C(OC)%3DC2)C%3DC1&inchi=N%2FA&width=350&height=250) |
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15 | CCMSLIB00000078693 | GNPS-PRESTWICKPHYTOCHEM | NCGC00160280-01 | N-methyl-metacryloyl-lupinine |
| M+H | 252.20 | qTOF | Dorrestein | 1 | vphelan | 2014-05-02 16:39:07.0 | C(%3DO)OC%5BC%40%40H%5D1CCC%5BN%40%2B%5D2(C)CCCC%5BC%40H%5D12&inchi=N%2FA&width=350&height=250) |
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16 | CCMSLIB00000078694 | GNPS-PRESTWICKPHYTOCHEM | NCGC00160217-01 | SOPHOCARPINE |
| M+H | 247.18 | qTOF | Dorrestein | 1 | vphelan | 2014-05-02 16:39:07.0 | (%5BC%40%40%5D4(%5BH%5D)CC%3DCC(%3DO)N4C1)%5BC%40%5D23%5BH%5D&inchi=N%2FA&width=350&height=250) |
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17 | CCMSLIB00000078695 | GNPS-PRESTWICKPHYTOCHEM | NCGC00017368-03 | BUCHARAINE |
| M+H | 332.19 | qTOF | Dorrestein | 1 | vphelan | 2014-05-02 16:39:07.0 | C(C)(C)O)%3DC%2FCOC%2F1%3DC%2FC(%3DO)NC2%3DC1C%3DCC%3DC2&inchi=N%2FA&width=350&height=250) |
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18 | CCMSLIB00000078696 | GNPS-PRESTWICKPHYTOCHEM | NCGC00017368-03 | BUCHARAINE |
| M+Na | 354.17 | qTOF | Dorrestein | 1 | vphelan | 2014-05-02 16:39:07.0 | C(C)(C)O)%3DC%2FCOC%2F1%3DC%2FC(%3DO)NC2%3DC1C%3DCC%3DC2&inchi=N%2FA&width=350&height=250) |
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19 | CCMSLIB00000078697 | GNPS-PRESTWICKPHYTOCHEM | "NCGC00160299-01 | 2,3-Dimethoxy-15-methyl-4b,5,6,9,8a,10-hexahydro-16-oxa-8a-aza-cyclopenta[a]phenanthren-17-one" |
| M+H | 316.15 | qTOF | Dorrestein | 1 | vphelan | 2014-05-02 16:39:07.0 | C%3DC2C3CCC4%3DC(%5BC%40H%5D(C)OC4%3DO)N3CCC2%3DC1&inchi=N%2FA&width=350&height=250) |
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20 | CCMSLIB00000078698 | GNPS-PRESTWICKPHYTOCHEM | NCGC00015366-03 | DUBINIDINE |
| M+H | 276.12 | qTOF | Dorrestein | 1 | vphelan | 2014-05-02 16:39:07.0 | C(C)(O)CO&inchi=N%2FA&width=350&height=250) |
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21 | CCMSLIB00000078699 | GNPS-PRESTWICKPHYTOCHEM | "NCGC00160161-01 | 3,4-DIMETHOXYDALBERGIONE" |
| M+H | 285.11 | qTOF | Dorrestein | 1 | vphelan | 2014-05-02 16:39:07.0 | (C1%3DCC%3DCC%3DC1)C2%3DCC(%3DO)C(OC)%3DC(OC)C2%3DO&inchi=N%2FA&width=350&height=250) |
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22 | CCMSLIB00000078700 | GNPS-PRESTWICKPHYTOCHEM | NCGC00160253-01 | 1-(2-hydroxy-3-methyl)-butyl-hydrocotarnine |
| M+H | 308.19 | qTOF | Dorrestein | 1 | vphelan | 2014-05-02 16:39:07.0 | C(C)C)N(C)CC3&inchi=N%2FA&width=350&height=250) |
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23 | CCMSLIB00000078701 | GNPS-PRESTWICKPHYTOCHEM | NCGC00160324-01 | 2-(2-Methoxy-phenyl)-5-oxo-tetrahydro-furan-3-carboyl-lupinine |
| M+H | 388.21 | qTOF | Dorrestein | 1 | vphelan | 2014-05-02 16:39:07.0 | C2OC(%3DO)CC2C(%3DO)OC%5BC%40%40H%5D3CCCN4CCCCC34&inchi=N%2FA&width=350&height=250) |
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24 | CCMSLIB00000078702 | GNPS-PRESTWICKPHYTOCHEM | "NCGC00160311-01 | 2-Methoxy-1-methyl-3-(1-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)-1H-benzo[f]indole-4,9-dione" |
| M+H | 351.10 | qTOF | Dorrestein | 1 | vphelan | 2014-05-02 16:39:07.0 | N(C)C2%3DO)C3%3DC(N1C)C(%3DO)C4%3DC(C%3DCC%3DC4)C3%3DO&inchi=N%2FA&width=350&height=250) |
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25 | CCMSLIB00000078703 | GNPS-PRESTWICKPHYTOCHEM | NCGC00160255-01 | CONVOLICINE |
| M+H | 334.17 | qTOF | Dorrestein | 1 | vphelan | 2014-05-02 16:39:07.0 | C%3DC(C%3DC1)C(%3DO)OC2CC3CC%5BC%40H%5D(C2)N3C(C)%3DO&inchi=N%2FA&width=350&height=250) |
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26 | CCMSLIB00000078704 | GNPS-PRESTWICKPHYTOCHEM | "NCGC00160137-01 | 2-[2-(3,4-Dimethoxy-phenyl)-ethyl]-6-(4-methoxy-phenyl)-2,3,6,7,12,12a-hexahydro-pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione" |
| M+H | 526.23 | qTOF | Dorrestein | 1 | vphelan | 2014-05-02 16:39:07.0 | C2%5BN%40%5D3%5BC%40H%5D(CC4%3DC2NC5%3DCC%3DCC%3DC45)C(%3DO)N(CCC6%3DCC(OC)%3DC(OC)C%3DC6)CC3%3DO&inchi=N%2FA&width=350&height=250) |
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27 | CCMSLIB00000078705 | GNPS-PRESTWICKPHYTOCHEM | NCGC00160283-01 | 1-(8-Quinolinyl)-beta-carboline |
| M+H | 296.12 | qTOF | Dorrestein | 1 | vphelan | 2014-05-02 16:39:07.0 | C4%3DCC%3DCC5%3DCC%3DCN%3DC45&inchi=N%2FA&width=350&height=250) |
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28 | CCMSLIB00000078706 | GNPS-PRESTWICKPHYTOCHEM | "NCGC00160325-01 | 6,7-Dimethoxy-1-phenyl-3,4-dihydro-isoquinoline" |
| M+H | 268.13 | qTOF | Dorrestein | 1 | vphelan | 2014-05-02 16:39:07.0 | C(%3DNCC2)C3%3DCC%3DCC%3DC3&inchi=N%2FA&width=350&height=250) |
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29 | CCMSLIB00000078707 | GNPS-PRESTWICKPHYTOCHEM | "NCGC00160301-01 | 1-(4-Oxo-4H-chromen-3-yl)-2,3,4,9-tetrahydro-1H-beta-carbolin-3-ylcarboxylic acid" |
| M+H | 361.12 | qTOF | Dorrestein | 1 | vphelan | 2014-05-02 16:39:07.0 | C1CC2%3DC(NC3%3DCC%3DCC%3DC23)C(N1)C4%3DCOC5%3DCC%3DCC%3DC5C4%3DO&inchi=N%2FA&width=350&height=250) |
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30 | CCMSLIB00000078708 | GNPS-PRESTWICKPHYTOCHEM | NCGC00095566-02 | STICTIC ACID |
| M+H | 387.07 | qTOF | Dorrestein | 1 | vphelan | 2014-05-02 16:39:07.0 | OC3%3DC(C)C(%3DC4C(%3DO)OC(O)C4%3DC3OC2%3DC1C%3DO)O)C&inchi=N%2FA&width=350&height=250) |
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