Results for untargeted MS search on m/z: (+/-) mode (maximum rows displayed:1000)
| Details | Name | m/z | RT | RT_Units | Study | Ion_mode | MS_Instrument | Chromatography | Species | Source |
|---|---|---|---|---|---|---|---|---|---|---|
| AN002312 | Sorbate | 93.0338 | 1.26 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | 2-Hydroxybutyrate | 103.03948 | 0.65 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Ethyl sulfate | 124.99238 | 0.42 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Caprylate | 125.0961 | 4.17 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | 2-Methylmaleate / Itaconate | 129.01868 | 0.64 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Ethylmalonate | 131.03418 | 0.81 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | 4-Hydroxybenzoate | 137.02358 | 1.3 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | 3-Hydroxybenzoate | 137.02358 | 1.85 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Salicylate | 137.02368 | 3.94 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | trans,trans -Muconic acid | 141.01868 | 0.65 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Maleate | 142.9985 | 0.43 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Adipate / 3-Methylglutarate | 145.05008 | 0.82 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | 2-Methylglutarate | 145.05018 | 0.89 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | 3-Methyl-2-Oxindole | 146.06028 | 0.98 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Phenylglyoxylic acid / 2-Hydroxy-4-(Methylthio)Butanoate | 149.02518 | 0.82 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | 3-Hydroxyphenylacetate | 151.03928 | 1.57 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Methyl Paraben | 151.03928 | 3.78 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | 4-methylcatechol | 151.0393 | 0.65 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | 2-Hydroxyphenylacetate / P-Hydroxyphenylacetate | 151.03948 | 1.27 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Mandelate | 151.03948 | 1.27 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Guaiacol | 151.0395 | 1.27 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | 3-hydroxyanthranilic acid | 152.03578 | 0.84 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | 2,3-Dihydroxybenzoate | 153.01858 | 1.68 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | 3,4-Dihydrox benzoic acid | 153.01888 | 0.76 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | 6-Carboxyhexanoate | 159.06578 | 1.56 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Indole-3-Carboxylic acid | 160.03978 | 3.62 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | m-Coumaric acid | 163.03918 | 3.54 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Anthranilate / 4-Aminobenzoate | 164.0347 | 3.13 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Phthalic acid | 165.01828 | 1.41 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Homogentisate | 167.03478 | 0.65 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | 10-Hydroxydecanoate | 169.1222 | 4.84 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | N-Acety-L-Leucine | 172.09728 | 2.79 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Suberate | 173.08128 | 3.34 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Indole-3-Acetate | 174.05578 | 3.65 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | 3-Methyl-2-Oxovalerate | 175.0606 | 1.3 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Hippurate | 178.05068 | 1.25 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Homovanillate | 181.04998 | 1.52 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Hydroxyphenyllactate/ Phenylacetate | 181.0501 | 0.92 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Azelate | 187.09718 | 4.17 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Kynurenate | 188.03488 | 1.07 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | 5-Hydroxyindoleacetate | 190.05048 | 0.98 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Oxoglutarate | 191.0198 | 0.46 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Ferulate | 193.04988 | 3.21 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | MEP (Mono-ethyl phthalate) | 193.04988 | 4.03 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Butyl Paraben | 193.08628 | 5.75 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | 3-Methoxytyramine | 194.0817 | 6.57 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | 3-Methoxy-4-Hydroxymandelate | 197.04678 | 0.65 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Omega-Hydroxydodecanoate | 197.154 | 5.7 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Laurate | 199.16978 | 8.21 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Sebacic acid | 201.11268 | 4.73 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Xanthurenate | 204.02968 | 0.98 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Oxoadipate | 205.0347 | 0.43 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | N-Acetylphenylalanine / Indole-3-Ethanol | 206.0817 | 3.03 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | 3-(2-Hydroxyphenyl)Propanoate | 211.0606 | 3.49 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Indoxyl Sulfate | 212.00208 | 0.92 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | 2-Undecanone | 215.1646 | 5.7 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | 4-Quinolinecarboxylate | 218.0478 | 0.65 | Minutes | 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 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Ethyl glucuronide | 221.06728 | 0.43 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | MBP (Mono-n-butyl phthalate) / MiBP (Mono-isobutyl phthalate) | 221.08088 | 5.3 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Salsolinol | 224.0923 | 6.4 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Trans-Resveratrol | 227.07158 | 4.07 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Myristate | 227.20098 | 9.05 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Dodecanedioic acid | 229.14398 | 5.59 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Bisphenol S | 249.02208 | 3.78 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Palmitoleic acid | 253.21658 | 9.36 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Palmitate | 255.23238 | 9.82 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Phenylacetylglutamine | 263.10348 | 1.27 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Estriol | 269.1499 | 4.21 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Heptadecanoate / Hexadecanol | 269.2478 | 10.18 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | MEHP (Mono-2-ethylhexyl phthalate) | 277.15378 | 7.16 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Linoleate | 279.23208 | 9.56 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Oleate / Elaidate / Petroselinate | 281.24778 | 10.01 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Stearic acid | 283.26358 | 10.51 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Eicosapentaenoate | 301.21618 | 9.22 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Arachidonic Acid | 303.23148 | 9.66 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Oleamide | 308.2558 | 9.15 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Arachidate | 311.29458 | 11.13 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | MECPP (Mono-(2-ethyl-5-carboxypentyl) phthalate) | 353.1247 | 5.08 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | cx-MiNP (MCOP) (Mono(2,6-dimethyl-6-carboxyhexyl) phthalate) | 367.1391 | 5.29 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Dehydroepiandrosterone Sulfate | 367.15938 | 4.88 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Riboflavin | 375.12968 | 1.84 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Pregnenolone Sulfate | 377.1831 | 5.46 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | cx-MiDP (MCNP) (Mono(2,7-dimethyl-7-carboxyheptyl) phthalate) | 381.1546 | 5.7 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Rosmarinate | 387.0716 | 3.89 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Cortisone | 387.1733 | 4.39 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Ursodeoxycholic acid | 391.28368 | 6.14 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Cortisol | 407.2003 | 4.51 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Cholate | 407.27898 | 6.14 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Perfluorooctanoic acid | 412.97018 | 6.13 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Glycolithocholic acid | 432.31058 | 6.96 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Glycocholate | 464.29968 | 5.54 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Cholesterol Sulfate | 465.30298 | 9.85 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | Taurodeoxycholic acid | 498.28728 | 5.81 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | LysoPC(16:0) | 540.3281 | 8 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
| AN002312 | LysoPC(18:0) | 568.3596 | 8.72 | Minutes | ST001385 | NEGATIVE | Agilent 6550 QTOF | Reversed phase | Human | Urine |
