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Class of compounds | Putative identification | Mass | m/z | Adduct | RT (min) | δ (ppm) | Formula |
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Flavonoids | Di-ethoxydimethylphosphoramide | 211.202 | 211.108 | [M-P]- | 0.5 | 3.2 | C6H18N3O3P |
Dimethyl-2-(2-nitrophenoxy)ethyl-azanium | 211.241 | 211.107 | [M-H]- | 0.5 | 3.2 | C10H15N2O3 |
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Phenolic acids | N,N′-Dicyclohexyl-4-morpholinecarboxamidine | 293.455 | 293.246 | [M-H]- | 14.0 | 1.7 | C17H31N3O |
N-(2-Morpholin-4-ylethyl)-4-(1,3-thiazol 2-ylmethyl)-1,4-diazepane-1-carbothioamide | 369.546 | 369.165 | [M-H]- | 4.5 | 3.2 | C16H10N9O2 |
1-(4-Amino-1,2,5-oxadiazol-3-yl)-N-(4-dimethylaminophenyl)methylideneamino-5-ethyltriazole-4-carboxamide | 369.389 | 309.131 | [M-H]- | 1.5 | 5.0 | C16H19N9O2 |
N-2-(2-Chlorophenyl)sulfanyl-1-(1-cyclohexen-1-yl)ethyl-1-propanamine | 309.896 | 361.176 | [M + Cl]- | 6.5 | 0.2 | C17H24NOCl |
2-Hydroxyethyl(tetradecan-2-yl) azanium-chloride | 293.92 | 293.253 | [M-H]- | −0.5 | −2.5 | C19H33O2 |
4-(Z)-Hexadec-9-enoyl-amino-butyl dihydrogen phosphate | 405.516 | 361.177 | [M-P]- | 2.5 | −2.1 | C20H40NO5P |
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Lipid derivatives | 3-Acetyl-(2R)-6-methylhept-5-en-2-yl-amino-propyl-dimethylazanium | 255.426 | 255.243 | [M-H]- | 5.0 | 4.6 | C15H31NO2 |
Dibutoxy(dihydroxy)phosphanium | 211.218 | 405.262 | [M-P]- | 0.5 | 2.2 | C8H20O4P |
2-Octyl-1-cyclopropene-1-octanoate (Sterculate) | 293.471 | 293.248 | [M-H]- | 4.0 | −1.4 | C19H33O2 |
Vesnarinone | 405.53 | 405.54 | [M-H]- | 1.5 | 5.0 | C22H35N3O4 |
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Purine derivatives | 2-N-(4-Aminocyclohexyl)-6-N-benzyl-9-cyclopentylpurine-2,6-diamine | 405.55 | 405.263 | [M-H]- | 12.5 | −1.3 | C23H31N7 |
2-trans-(4-Aminocyclohexyl) amino-6-(benzyl-amino)-9-cyclopentylpurine | 405.55 | 405.263 | [M-H]- | 7.0 | −1.4 | C24H37O5 |
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Pyrimidine derivatives | Amino-(4-benzamidoanilino) methylidene-(4,6 dimethylpyrimidin-2-yl) azanium | 361.429 | 361.177 | [M-H]- | 7.5 | 2.0 | C20H21N6O |
(2S)-4-(1-Methylpyrrole-2-carbonyl)-N-(3S)-2-oxopiperidin-3-yl]-1-(piperidin-1-ium-4-carbonyl) piperazine-2-carboxamide | 445.544 | 445.255 | [M-H]- | 2.0 | −0.4 | C22H33N6O4 |
N-(3-Chloro-4-methylphenyl)-6-(4-ethyl-1-piperazinyl) methyl-1,3,5-triazine-2,4-diamine | 361.878 | 293.247 | [M + Cl]- | 9.5 | 0.4 | C17H24N7Cl |
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Vitamin B | 2-4-Amino-6-(3S)-3-methylpiperidin-1-yl-5-nitropyrimidin-2-yl-amino-acetate | 309.306 | 309.130 | [M-H]- | 8.0 | 2.3 | C2H17N6O4 |
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Quinolinone derivative | 1R,9aR-1,2,3,4,5,6,7,8,9,9a-Decahydroquinolizin-5-ium-1-yl-methoxy-methyl-pentoxy-sulfanylidene-lambda-5-phosphane-chloride | 405.539 | 405.262 | [M + CI]- | 10.0 | 0.9 | C16H33NO2PSCl |
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