No. | Identification | Ionization mode | Retention Time (t/min) | Observed m/z (+/-) | formula | Molecular Structure |
---|---|---|---|---|---|---|
M1 | 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-[3-[4-(4-morpholinylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl]-, 3,5-bis(2-methylpropyl) ester | [M+H]+ | 95.91 | 677.3005 | C36H44N4O7S | |
M2 | Trichosanic acid | [M+H]+ | 90.55 | 279.2323 | C18H30O2 | |
M3 | linolenic acid | [M+H]+ | 90.55 | 279.2323 | C18H30O2 | |
M4 | Tetradecyl (βS)-β-hydroxy-N-(phenylacetyl)-D-phenylalaninate | [M+H]+ | 86.52 | 496.3404 | C31H45NO4 | |
M5 | Vernolic acid | [M+H]+ | 80.74 | 297.2426 | C18H32O3 | |
M6 | cholic acid | [M+NH4]+ | 74.45 | 426.322 | C24H40O5 | |
M7 | 3-(2-Furylmethyl)-10-methyl-2-(3-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione | [M+Na]+ | 74.16 | 451.1004 | C23H16N4O5 | |
M8 | 1-[(2R,4aS,4bS,6aS,6bS,9aR,10aS,10bR,12aS)-2-Hydroxy-4a,6a,8,8-tetramethylhexadecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]ethanone | [M+H]+ | 67.63 | 391.2838 | C24H38O4 | |
M9 | Ethyl N-[(13E,15R)-15-hydroxy-1,9-dioxoprost-13-en-1-yl]glycinate | [M+H]+ | 66.69 | 424.3053 | C24H41NO5 | |
M10 | (3α,9ξ,14ξ,16α)-17-Hydroxy-16-methyl-20-oxopregn-5-en-3-yl acetate | [M+H]+ | 66.69 | 389.268 | C24H36O4 | |
M11 | (3β,5α)-16-Methyl-20-oxopregn-16-en-3-yl acetate | [M+H]+ | 64.75 | 373.2731 | C24H36O3 | |
M12 | Corticosterone | [M+H]+ | 52.49 | 347.221 | C21H30O4 | |
M13 | Cortisol | [M+H]+ | 48.43 | 363.2163 | C21H30O5 | |
M14 | 2-[[(3α,5β)-3-Hydroxy-7,24-dioxocholan-24-yl]amino]ethanesulfonic acid | [M+H]+ | 47.04 | 498.2884 | C26H43NO6S | |
M15 | Taurocholic acid | [M+H]+ | 45.73 | 516.2987 | C26H45NO7S | |
M16 | Benzophenone | [M+H]+ | 16.37 | 183.0804 | C13H10O | |
M17 | L-Pyroglutmaic acid | [M+H]+ | 1.46 | 130.0498 | C5H7NO3 |
|
M18 | Isoleucine | [M+H]+ | 1.04 | 132.1017 | C6H13NO2 |
|
M19 | Betaine | [M+H]+ | 1.03 | 118.0863 | C5H11NO2 |
|