1 | CCMSLIB00000079350 | GNPS-NIH-NATURALPRODUCTSLIBRARY | "MLS001141366-01 | (2R)-2-[3-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]propanoylamino]-2-phenylacetic acid" |
| M+H | 408.16 | qTof | Dorrestein | 1 | vphelan | 2014-05-14 15:25:20.0 | %5BC%40H%5D(NC(%3DO)CCN1C(%3DO)%5BC%40%40H%5D2Cc3ccccc3CN2C1%3DO)c4ccccc4&inchi=N%2FA&width=350&height=250) |
| | |
2 | CCMSLIB00000079351 | GNPS-NIH-NATURALPRODUCTSLIBRARY | "MLS000728601-01 | (2S)-3-benzoyl-2,7b-dihydro-1aH-oxireno[2,3-c]quinoline-2-carbonitrile" |
| M+H | 277.10 | qTof | Dorrestein | 1 | vphelan | 2014-05-14 15:25:20.0 | C2OC2c3ccccc13)c4ccccc4&inchi=N%2FA&width=350&height=250) |
| | |
3 | CCMSLIB00000079352 | GNPS-NIH-NATURALPRODUCTSLIBRARY | MLS000697658-01 | 5-hydroxy-7-methoxy-2-phenylchromen-4-one |
| M+H | 269.08 | qTof | Dorrestein | 1 | vphelan | 2014-05-14 15:25:20.0 | c2c(%3DO)cc(oc2c1)c3ccccc3&inchi=N%2FA&width=350&height=250) |
| | |
4 | CCMSLIB00000079353 | GNPS-NIH-NATURALPRODUCTSLIBRARY | "MLS001075865-01 | N-[2-[7-methoxy-6-[(Z)-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)methyl]-1,3-benzodioxol-5-yl]ethyl]-N-methylbenzamide" |
| M+H | 492.18 | qTof | Dorrestein | 1 | vphelan | 2014-05-14 15:25:20.0 | C(%3DO)c3ccccc3)c1%2FC%3DC%5C4%2FC(%3DO)NC(%3DO)N(CC%3DC)C4%3DO&inchi=N%2FA&width=350&height=250) |
| | |
5 | CCMSLIB00000079354 | GNPS-NIH-NATURALPRODUCTSLIBRARY | "MLS001158449-01 | (2S)-2-[[(2S)-3-methyl-2-[[(2S)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]butanoyl]amino]-3-phenylpropanoic acid" |
| M+H | 481.25 | qTof | Dorrestein | 1 | vphelan | 2014-05-14 15:25:20.0 | %5BC%40H%5D(NC(%3DO)N1%5BC%40%40H%5D(C(C)C)C(%3DO)Nc2ccccc12)C(%3DO)N%5BC%40%40H%5D(Cc3ccccc3)C(%3DO)O&inchi=N%2FA&width=350&height=250) |
| | |
6 | CCMSLIB00000079355 | GNPS-NIH-NATURALPRODUCTSLIBRARY | | M+H | 361.13 | qTof | Dorrestein | 1 | vphelan | 2014-05-14 15:25:20.0 | c1ccccc1)C(O)C(O)COC(%3DO)c2ccccc2&inchi=N%2FA&width=350&height=250) |
| | |
7 | CCMSLIB00000079356 | GNPS-NIH-NATURALPRODUCTSLIBRARY | "MLS001141331-01 | (2S)-2-[[2-(3-benzyl-4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-phenylpropanoic acid" |
| M+H | 486.19 | qTof | Dorrestein | 1 | vphelan | 2014-05-14 15:25:20.0 | c(%3DO)oc3c(C)c(OCC(%3DO)N%5BC%40%40H%5D(Cc4ccccc4)C(%3DO)O)ccc13&inchi=N%2FA&width=350&height=250) |
| | |
8 | CCMSLIB00000079357 | GNPS-NIH-NATURALPRODUCTSLIBRARY | MLS001048862-01 | 3-(1H-indol-3-yl)-2-methylpropanoic acid |
| M+H | 204.10 | qTof | Dorrestein | 1 | vphelan | 2014-05-14 15:25:20.0 | C(%3DO)O&inchi=N%2FA&width=350&height=250) |
| | |
9 | CCMSLIB00000079358 | GNPS-NIH-NATURALPRODUCTSLIBRARY | MLS001141033-01 | 1-[(2S)-2-amino-4-methylpentanoyl]-N-[(2S)-1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide |
| M+H | 461.31 | qTof | Dorrestein | 1 | vphelan | 2014-05-14 15:25:20.0 | %5BC%40%40H%5D(NC(%3DO)C2CCN(CC2)C(%3DO)%5BC%40%40H%5D(N)CC(C)C)C(C)C)cc1&inchi=N%2FA&width=350&height=250) |
| | |
10 | CCMSLIB00000079359 | GNPS-NIH-NATURALPRODUCTSLIBRARY | | M+H | 485.07 | qTof | Dorrestein | 1 | vphelan | 2014-05-14 15:25:20.0 | c(%3DO)oc2cc(OCC(%3DO)N3C%5BC%40H%5D4C%5BC%40%40H%5D(C3)c5cccc(%3DO)n5C4)ccc12&inchi=N%2FA&width=350&height=250) |
| | |
11 | CCMSLIB00000079360 | GNPS-NIH-NATURALPRODUCTSLIBRARY | "MLS000697746-01 | (2R,3S,3aS)-2-(1,3-benzodioxol-5-yl)-5-methoxy-3-methyl-3a-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one" |
| M+H | 341.14 | qTof | Dorrestein | 1 | vphelan | 2014-05-14 15:25:20.0 | %5BC%40H%5D(C)%5BC%40%40H%5D(OC2%3DCC1%3DO)c3ccc4OCOc4c3&inchi=N%2FA&width=350&height=250) |
| | |
12 | CCMSLIB00000079361 | GNPS-NIH-NATURALPRODUCTSLIBRARY | MLS001142759-01 | (2S)-2-[[1-[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]piperidine-4-carbonyl]amino]butanedioic acid |
| M+H | 498.19 | qTof | Dorrestein | 3 | vphelan | 2014-05-14 15:25:20.0 | %5BC%40H%5D(NS(%3DO)(%3DO)c1ccc(C)cc1)C(%3DO)N2CCC(CC2)C(%3DO)N%5BC%40%40H%5D(CC(%3DO)O)C(%3DO)O&inchi=N%2FA&width=350&height=250) |
| | |
13 | CCMSLIB00000079362 | GNPS-NIH-NATURALPRODUCTSLIBRARY | | M+H | 832.35 | qTof | Dorrestein | 3 | vphelan | 2014-05-14 15:25:20.0 | %2FC(%3DO)N%5BC%40H%5D(%5BC%40%40H%5D(O)C(%3DO)O%5BC%40H%5D%5C1C%5BC%40%40%5D2(O)%5BC%40%40H%5D(OC(%3DO)c3ccccc3)C4%5BC%40%40%5D5(CO%5BC%40%40H%5D5C%5BC%40H%5D(O)%5BC%40%40%5D4(C)C(%3DO)%5BC%40H%5D(OC(%3DO)C)%2FC(%3DC1%5CC)%2FC2(C)C)OC(%3DO)C)c6ccccc6&inchi=N%2FA&width=350&height=250) |
| | |
14 | CCMSLIB00000079363 | GNPS-NIH-NATURALPRODUCTSLIBRARY | MLS000863588-01 | 2-methoxy-3-methyl-9H-carbazole |
| M+H | 212.11 | qTof | Dorrestein | 3 | vphelan | 2014-05-14 15:25:20.0 |  |
| | |
15 | CCMSLIB00000079364 | GNPS-NIH-NATURALPRODUCTSLIBRARY | | M+H | 249.09 | qTof | Dorrestein | 1 | vphelan | 2014-05-14 15:25:20.0 | c3ccccc3&inchi=N%2FA&width=350&height=250) |
| | |
16 | CCMSLIB00000079365 | GNPS-NIH-NATURALPRODUCTSLIBRARY | | M+H | 397.19 | qTof | Dorrestein | 1 | vphelan | 2014-05-14 15:25:20.0 | N(%5BC%40%40H%5D(C)C(%3DO)NC5CC5)C(%3DO)%5BC%40%40%5D43C)c2c1&inchi=N%2FA&width=350&height=250) |
| | |
17 | CCMSLIB00000079366 | GNPS-NIH-NATURALPRODUCTSLIBRARY | | M+H | 352.17 | qTof | Dorrestein | 1 | vphelan | 2014-05-14 15:25:20.0 | c1ccc(NC(%3DO)N2C%5BC%40H%5D3C%5BC%40%40H%5D(C2)c4cccc(%3DO)n4C3)cc1&inchi=N%2FA&width=350&height=250) |
| | |
18 | CCMSLIB00000079367 | GNPS-NIH-NATURALPRODUCTSLIBRARY | MLS001140981-01 | 4-[[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxypropanoylamino]methyl]cyclohexane-1-carboxylic acid |
| M+H | 438.19 | qTof | Dorrestein | 1 | vphelan | 2014-05-14 15:25:20.0 | oc2c1C)C(%3DO)NC%5BC%40H%5D4CC%5BC%40%40H%5D(CC4)C(%3DO)O&inchi=N%2FA&width=350&height=250) |
| | |
19 | CCMSLIB00000079368 | GNPS-NIH-NATURALPRODUCTSLIBRARY | | M+H | 169.05 | qTof | Dorrestein | 3 | vphelan | 2014-05-14 15:25:20.0 | O)c(O)c1&inchi=N%2FA&width=350&height=250) |
| | |
20 | CCMSLIB00000079369 | GNPS-NIH-NATURALPRODUCTSLIBRARY | | M+H | 231.07 | qTof | Dorrestein | 1 | vphelan | 2014-05-14 15:25:20.0 | cc(%3DO)c13&inchi=N%2FA&width=350&height=250) |
| | |
21 | CCMSLIB00000079370 | GNPS-NIH-NATURALPRODUCTSLIBRARY | MLS001075522-01 | N-(2-pyridin-3-ylpiperidine-1-carbothioyl)benzamide |
| M+H | 326.13 | qTof | Dorrestein | 1 | vphelan | 2014-05-14 15:25:20.0 | N1CCCCC1c2cccnc2)c3ccccc3&inchi=N%2FA&width=350&height=250) |
| | |
22 | CCMSLIB00000079371 | GNPS-NIH-NATURALPRODUCTSLIBRARY | "MLS001158260-01 | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxyacetamide" |
| M+H | 426.19 | qTof | Dorrestein | 1 | vphelan | 2014-05-14 15:25:20.0 | COc2cc(C)cc3oc(%3DO)c(C)c(C)c23)cc1OC&inchi=N%2FA&width=350&height=250) |
| | |
23 | CCMSLIB00000079372 | GNPS-NIH-NATURALPRODUCTSLIBRARY | "MLS001158166-01 | 4-[[[2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetyl]amino]methyl]cyclohexane-1-carboxylic acid" |
| M+H | 458.22 | qTof | Dorrestein | 1 | vphelan | 2014-05-14 15:25:20.0 | oc2c3CCC(C)(C)Oc3cc(OCC(%3DO)NC%5BC%40H%5D4CC%5BC%40%40H%5D(CC4)C(%3DO)O)c12&inchi=N%2FA&width=350&height=250) |
| | |
24 | CCMSLIB00000079373 | GNPS-NIH-NATURALPRODUCTSLIBRARY | "MLS001158620-01 | (2R)-1-[(2S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoyl]pyrrolidine-2-carboxylic acid" |
| M+H | 389.18 | qTof | Dorrestein | 1 | vphelan | 2014-05-14 15:25:20.0 | %5BC%40H%5D(NC(%3DO)N1CC(%3DO)Nc2ccccc12)C(%3DO)N3CCC%5BC%40%40H%5D3C(%3DO)O&inchi=N%2FA&width=350&height=250) |
| | |
25 | CCMSLIB00000079374 | GNPS-NIH-NATURALPRODUCTSLIBRARY | "MLS001146639-01 | 2,6-dimethoxy-N-(2-pyridin-3-ylpiperidine-1-carbothioyl)benzamide" |
| M+H | 386.15 | qTof | Dorrestein | 1 | vphelan | 2014-05-14 15:25:20.0 | c1C(%3DO)NC(%3DS)N2CCCCC2c3cccnc3&inchi=N%2FA&width=350&height=250) |
| | |
26 | CCMSLIB00000079375 | GNPS-NIH-NATURALPRODUCTSLIBRARY | | M+Na | 385.13 | qTof | Dorrestein | 3 | vphelan | 2014-05-14 15:25:20.0 | O%5BC%40%40H%5D3C%5BC%40%5D(C)(%5BC%40H%5D4OC(%3DO)C%3DC4C)C(%3DC(O)C1%3DO)%5BC%40%40%5D32CO&inchi=N%2FA&width=350&height=250) |
| | |
27 | CCMSLIB00000079376 | GNPS-NIH-NATURALPRODUCTSLIBRARY | | M+H | 363.14 | qTof | Dorrestein | 3 | vphelan | 2014-05-14 15:25:20.0 | O%5BC%40%40H%5D3C%5BC%40%5D(C)(%5BC%40H%5D4OC(%3DO)C%3DC4C)C(%3DC(O)C1%3DO)%5BC%40%40%5D32CO&inchi=N%2FA&width=350&height=250) |
| | |
28 | CCMSLIB00000079377 | GNPS-NIH-NATURALPRODUCTSLIBRARY | "MLS000697724-01 | (2R,3S,3aS)-2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-3-methyl-3a-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one" |
| M+Na | 393.13 | qTof | Dorrestein | 1 | vphelan | 2014-05-14 15:25:20.0 | %5BC%40H%5D(C)%5BC%40%40H%5D(OC2%3DC(OC)C1%3DO)c3ccc4OCOc4c3&inchi=N%2FA&width=350&height=250) |
| | |
29 | CCMSLIB00000079378 | GNPS-NIH-NATURALPRODUCTSLIBRARY | | M+H | 253.23 | qTof | Dorrestein | 1 | vphelan | 2014-05-14 15:25:20.0 | NCC2CCCCC2&inchi=N%2FA&width=350&height=250) |
| | |
30 | CCMSLIB00000079379 | GNPS-NIH-NATURALPRODUCTSLIBRARY | MLS001048959-01 | 4-hydroxy-1-methyl-2-oxopyridine-3-carbonitrile |
| M+H | 151.05 | qTof | Dorrestein | 3 | vphelan | 2014-05-14 15:25:20.0 | c(C%23N)c1%3DO&inchi=N%2FA&width=350&height=250) |
| | |