Results for untargeted MS search on m/z: (+/-) mode

Details Name m/z RT RT_Units Study Ion_mode MS_Instrument Chromatography Species Source
AN002312 Sorbate 93.0338 1.26 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 2-Hydroxybutyrate 103.03948 0.65 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Ethyl sulfate 124.99238 0.42 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Caprylate 125.0961 4.17 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 2-Methylmaleate / Itaconate 129.01868 0.64 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Ethylmalonate 131.03418 0.81 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 4-Hydroxybenzoate 137.02358 1.3 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 3-Hydroxybenzoate 137.02358 1.85 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Salicylate 137.02368 3.94 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 trans,trans -Muconic acid 141.01868 0.65 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Maleate 142.9985 0.43 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Adipate / 3-Methylglutarate 145.05008 0.82 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 2-Methylglutarate 145.05018 0.89 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 3-Methyl-2-Oxindole 146.06028 0.98 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Phenylglyoxylic acid / 2-Hydroxy-4-(Methylthio)Butanoate 149.02518 0.82 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 3-Hydroxyphenylacetate 151.03928 1.57 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Methyl Paraben 151.03928 3.78 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 4-methylcatechol 151.0393 0.65 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 2-Hydroxyphenylacetate / P-Hydroxyphenylacetate 151.03948 1.27 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Mandelate 151.03948 1.27 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Guaiacol 151.0395 1.27 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 3-hydroxyanthranilic acid 152.03578 0.84 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 2,3-Dihydroxybenzoate 153.01858 1.68 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 3,4-Dihydrox benzoic acid 153.01888 0.76 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 6-Carboxyhexanoate 159.06578 1.56 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Indole-3-Carboxylic acid 160.03978 3.62 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 m-Coumaric acid 163.03918 3.54 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Anthranilate / 4-Aminobenzoate 164.0347 3.13 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Phthalic acid 165.01828 1.41 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Homogentisate 167.03478 0.65 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 10-Hydroxydecanoate 169.1222 4.84 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 N-Acety-L-Leucine 172.09728 2.79 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Suberate 173.08128 3.34 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Indole-3-Acetate 174.05578 3.65 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 3-Methyl-2-Oxovalerate 175.0606 1.3 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Hippurate 178.05068 1.25 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Homovanillate 181.04998 1.52 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Hydroxyphenyllactate/ Phenylacetate 181.0501 0.92 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Azelate 187.09718 4.17 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Kynurenate 188.03488 1.07 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 5-Hydroxyindoleacetate 190.05048 0.98 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Oxoglutarate 191.0198 0.46 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Ferulate 193.04988 3.21 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 MEP (Mono-ethyl phthalate) 193.04988 4.03 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Butyl Paraben 193.08628 5.75 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 3-Methoxytyramine 194.0817 6.57 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 3-Methoxy-4-Hydroxymandelate 197.04678 0.65 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Omega-Hydroxydodecanoate 197.154 5.7 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Laurate 199.16978 8.21 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Sebacic acid 201.11268 4.73 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Xanthurenate 204.02968 0.98 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Oxoadipate 205.0347 0.43 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 N-Acetylphenylalanine / Indole-3-Ethanol 206.0817 3.03 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 3-(2-Hydroxyphenyl)Propanoate 211.0606 3.49 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Indoxyl Sulfate 212.00208 0.92 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 2-Undecanone 215.1646 5.7 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 4-Quinolinecarboxylate 218.0478 0.65 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 2OH-MBP (Mono(2-hydroxy-isobutyl)phthalate) / 3OH-MBP (Mono-(3-hydroxy-n-butyl) phthalate) 219.0654 3.69 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Ethyl glucuronide 221.06728 0.43 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 MBP (Mono-n-butyl phthalate) / MiBP (Mono-isobutyl phthalate) 221.08088 5.3 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Salsolinol 224.0923 6.4 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Trans-Resveratrol 227.07158 4.07 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Myristate 227.20098 9.05 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Dodecanedioic acid 229.14398 5.59 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Bisphenol S 249.02208 3.78 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Palmitoleic acid 253.21658 9.36 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Palmitate 255.23238 9.82 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Phenylacetylglutamine 263.10348 1.27 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Estriol 269.1499 4.21 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Heptadecanoate / Hexadecanol 269.2478 10.18 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 MEHP (Mono-2-ethylhexyl phthalate) 277.15378 7.16 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Linoleate 279.23208 9.56 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Oleate / Elaidate / Petroselinate 281.24778 10.01 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Stearic acid 283.26358 10.51 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Eicosapentaenoate 301.21618 9.22 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Arachidonic Acid 303.23148 9.66 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Oleamide 308.2558 9.15 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Arachidate 311.29458 11.13 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 MECPP (Mono-(2-ethyl-5-carboxypentyl) phthalate) 353.1247 5.08 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 cx-MiNP (MCOP) (Mono(2,6-dimethyl-6-carboxyhexyl) phthalate) 367.1391 5.29 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Dehydroepiandrosterone Sulfate 367.15938 4.88 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Riboflavin 375.12968 1.84 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Pregnenolone Sulfate 377.1831 5.46 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 cx-MiDP (MCNP) (Mono(2,7-dimethyl-7-carboxyheptyl) phthalate) 381.1546 5.7 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Rosmarinate 387.0716 3.89 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Cortisone 387.1733 4.39 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Ursodeoxycholic acid 391.28368 6.14 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Cortisol 407.2003 4.51 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Cholate 407.27898 6.14 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Perfluorooctanoic acid 412.97018 6.13 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Glycolithocholic acid 432.31058 6.96 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Glycocholate 464.29968 5.54 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Cholesterol Sulfate 465.30298 9.85 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 Taurodeoxycholic acid 498.28728 5.81 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 LysoPC(16:0) 540.3281 8 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
AN002312 LysoPC(18:0) 568.3596 8.72 Seconds ST001385 NEGATIVE Agilent 6550 QTOF Reversed phase Human Urine
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