Data for ST000748
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 |
|---|---|---|---|---|---|---|---|
| 16:0 LYSO PC (M+CL)- | - | 6241.67 | - | 5238.33 | - | 5312.00 | |
| 18:0 LYSO-PE (M-H)- | - | 8782.00 | - | 6118.67 | - | 9082.33 | |
| 2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)- | 20694.00 | 138132.33 | 25761.33 | 140511.67 | 27195.00 | 142463.33 | |
| 2-HYDROXYBUTYRIC ACID (M-H)- | - | 16287.33 | - | 14030.00 | - | 13441.33 | |
| 2-METHYLMALEIC ACID (M-H)- | 227537.33 | 125837.50 | 231083.67 | 136455.50 | 251883.33 | 142825.00 | |
| 3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)- | - | 91968.67 | - | 105913.00 | - | 92264.33 | |
| 3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)- | 779887.33 | 695461.00 | 649173.00 | 523798.00 | 594319.67 | 391521.00 | |
| 3-HYDROXYBENZOIC ACID (M-H)- | - | 17532.67 | - | 18309.33 | - | 17774.00 | |
| 4-HYDROXYBENZOIC ACID (M-H)- | 5343.33 | 12401.00 | 3507.00 | 13298.33 | 4527.33 | 11842.00 | |
| 4-NITROPHENOL (M-H)- | 48961.00 | 32649.33 | 45610.67 | 33410.67 | 46784.67 | 32796.67 | |
| 4-PYRIDOXIC ACID (M-H)- | 38864.00 | 172570.00 | 42997.67 | 182680.33 | 52127.33 | 183914.33 | |
| 5-HYDROXYINDOLEACETIC ACID (M-H)- | - | 27532.33 | - | 27014.33 | - | 26486.00 | |
| 5^-METHYLTHIOADENOSINE (M+CL)- | 108590.00 | - | 105203.67 | - | 120064.67 | - | |
| 5-OXOPROLINE (M-H)- | 2517933.67 | - | 2399891.33 | - | 2563904.67 | - | |
| ACETOACETIC ACID (M-H)- | - | 107668.33 | - | 113168.00 | - | 139117.33 | |
| ADIPIC ACID (M-H)- | 37580.00 | 56975.00 | 56444.00 | 59241.50 | 32932.33 | 62852.00 | |
| ALLANTOIN (M-H)- | 9920.33 | - | 6895.67 | - | 12407.67 | - | |
| ARACHIDONIC ACID (M-H)- | - | 464326.00 | - | 361520.67 | - | 308261.00 | |
| AZELAIC ACID (M-H)- | 117976.33 | 74538.33 | 112324.67 | 73302.33 | 90302.67 | 77278.67 | |
| BEHENIC ACID (M-H)- | 14489.33 | - | 15506.00 | - | 13483.67 | - | |
| BENZOIC ACID #2 (M-H)- | 12539.00 | 13094.33 | 13951.33 | 10846.00 | 13915.33 | 11735.33 | |
| BENZOIC ACID (M-H)- | 18176.00 | 18320.00 | 16006.33 | 25676.00 | 15196.33 | 32364.67 | |
| BILIVERDIN (M-H)- | 1867.00 | - | 2083.67 | - | 2395.33 | - | |
| BIOTIN (M-H)- | 29609.67 | 23585.33 | 30953.00 | 24768.33 | 25537.00 | 27945.67 | |
| CITRAMALIC ACID (M-H)- | 23013.00 | - | 18160.00 | - | 29061.50 | - | |
| DEOXYURIDINE (M+CL)- | 51082.33 | - | 56589.33 | - | 69194.67 | - | |
| DOCOSAHEXAENOIC ACID (M-H)- | - | 823478.67 | - | 920698.67 | - | 1133944.33 | |
| EPIBRASSINOLIDE [ISTD] (M+CL)- | 90888.33 | 87065.00 | 92005.67 | 93217.67 | 92051.67 | 101143.33 | |
| ERUCIC ACID (M-H)- | 74670.67 | 62946.67 | 71380.67 | 52122.67 | 70733.67 | 58987.00 | |
| ETHYLMALONIC ACID (M-H)- | - | 33429.33 | - | 33869.33 | - | 34551.67 | |
| FOLIC ACID (M-H)- | - | 491152.33 | - | 502094.33 | - | 541933.00 | |
| FUMARIC ACID (M-H)- | 92021.00 | - | 118263.00 | - | 109919.00 | - | |
| GDPMANNOSE (M-H)- | 16834.67 | - | 23379.00 | - | 20230.67 | - | |
| GLUCOSE (M+CL)- | 3816761.00 | - | 3612077.67 | - | 4519453.67 | - | |
| GLUTAMINE (M-H)- | - | 37561.33 | - | 25292.67 | - | 13477.00 | |
| GLUTARIC ACID (M-H)- | - | 55219.67 | - | 53833.67 | - | 63033.67 | |
| GLUTATHIONE (OXIDIZED) (M-H)- | 594541.00 | - | 602671.33 | - | 598970.00 | - | |
| GLYCOCHOLIC ACID (M-H)- | 16365.67 | 81982.33 | 15546.67 | 92301.33 | 20514.33 | 87158.00 | |
| GLYCOLITHOCHOLIC ACID (M-H)- | - | 20861.33 | - | 20725.00 | - | 22455.33 | |
| HEPTADECANOIC ACID (M-H)- | 33061.33 | 50311.67 | 32354.00 | 48715.00 | 35637.33 | 50653.00 | |
| HEXACOSANOIC ACID (M-H)- | 1857.00 | 4905.33 | 2519.00 | 4319.00 | 2567.00 | 4580.33 | |
| HIPPURIC ACID (M-H)- | - | 1960884.67 | - | 2074576.33 | - | 2196398.67 | |
| HOMOVANILLIC ACID (2M-H)- | 16660.67 | 7988.67 | 18237.33 | 9934.67 | 18963.00 | 9797.33 | |
| HYODEOXYCHOLIC ACID (M-H)- | 1162168.33 | - | 1082028.00 | - | 957647.00 | - | |
| KYNURENIC ACID (M-H)- | - | 23423.67 | - | 24196.33 | - | 25987.00 | |
| L-[15N]ANTHRANILIC ACID [ISTD] (M-H)- | 200095.67 | 139299.33 | 250119.33 | 161755.67 | 231280.33 | 151545.67 | |
| L-ARGININE (M-H)- | 32889.00 | 9056.00 | 33569.67 | 5640.33 | 35063.67 | 9056.33 | |
| LAURIC ACID (M-H)- | 14983.33 | 15045.00 | 13789.33 | 14270.67 | 14002.33 | 15902.33 | |
| L-HISTIDINE (M-H)- | 57423.67 | - | 54148.67 | - | 50500.00 | - | |
| LIGNOCERIC ACID (M-H)- | 6080.00 | 9889.00 | 6649.67 | 8286.33 | 5994.00 | 9283.33 | |
| LINOLEIC ACID (M-H)- | - | 277723.00 | - | 232579.00 | - | 237932.67 | |
| L-TRYPTOPHAN-15N2 [ISTD] (M-H)- | 1100748.00 | 542014.33 | 1162587.67 | 575418.67 | 1098500.67 | 585993.00 | |
| LUMICHROME (M-H)- | - | 3433.00 | - | 3552.33 | - | 3769.33 | |
| LYSINE (M-H)- | 16358.67 | 7093.67 | 12380.00 | 6867.33 | 10407.00 | 7358.50 | |
| MALEIC ACID (M-H)- | 269171.67 | - | 361237.67 | - | 330598.67 | - | |
| MALIC ACID (M-H)- | 1965660.33 | - | 2124734.33 | - | 1895026.67 | - | |
| MANDELIC ACID (M-H)- | - | 10768.33 | - | 12553.33 | - | 11281.67 | |
| MANNITOL (M-H)- | 84529.00 | - | 117567.00 | - | 93833.67 | - | |
| METHIONINE (M-H)- | 61069.67 | - | 50765.67 | - | 66761.33 | - | |
| MYRISTIC ACID (M-H)- | 93492.67 | 103444.67 | 89547.00 | 98605.67 | 90900.67 | 98394.00 | |
| N-ACETYL-ASPARTIC ACID (M-H)- | 2379008.00 | - | 1578644.67 | - | 1534085.00 | - | |
| N-ACETYL-D-GLUCOSAMINE (M+CL)- | 5873.67 | - | 9236.00 | - | 9689.00 | - | |
| N-ACETYL-DL-METHIONINE (M-H)- | 29849.00 | - | 39869.00 | - | 34049.67 | - | |
| N-ACETYL-D-TRYPTOPHAN (M-H)- | - | 14499.00 | - | 15252.33 | - | 15983.67 | |
| N-ACETYL-L-LEUCINE (M-H)- | - | 5011.33 | - | 5787.33 | - | 6894.00 | |
| NAD (M-H)- | 122363.67 | - | 166876.33 | - | 162549.67 | - | |
| OLEIC ACID (M-H)- | 367576.00 | 675625.00 | 321072.00 | 634727.67 | 249240.33 | 805444.00 | |
| OPHTHALMIC ACID (M-H)- | 12709.67 | - | 11535.00 | - | 11467.50 | - | |
| PALMITIC ACID (M-H)- | 372286.00 | 436668.00 | 357037.67 | 435493.33 | 355364.00 | 429132.33 | |
| PALMITOLEIC ACID (M-H)- | 119705.67 | 167340.00 | 92454.00 | 140633.33 | 101692.33 | 162077.67 | |
| PANTOTHENIC ACID (M+CL)- | 496144.00 | 397890.00 | 584731.00 | 511525.67 | 632356.00 | 359780.33 | |
| PANTOTHENIC ACID (M-H)- | 18266666.67 | 4242836.67 | 24833333.33 | 4656656.00 | 25266666.67 | 4641525.33 | |
| PHENYLALANINE (M-H)- | 1939496.33 | 5959805.00 | 2004339.00 | 6096117.67 | 2283091.67 | 6237373.00 | |
| PHOSPHOCREATINE (M-H)- | 43606.33 | - | 25017.33 | - | 45793.67 | - | |
| PHTHALIC ACID (M-H)- | 19802.67 | 114227.67 | 12607.00 | 78407.33 | - | - | |
| PHYTANIC ACID (M-H)- | - | 3503.67 | - | 2361.00 | - | 7846.50 | |
| PIMELIC ACID (M-H)- | 17277.33 | 64439.33 | 17852.00 | 69102.00 | 17863.00 | 71379.67 | |
| PYRIDOXINE (M-H)- | 51356.00 | - | 65987.67 | - | 77912.00 | - | |
| RIBOFLAVIN (M+CL)- | - | 53559.33 | - | 57430.00 | - | 63267.33 | |
| RIBOFLAVIN (M-H)- | 4769.33 | 79203.67 | 3547.33 | 81381.67 | 4514.00 | 86112.33 | |
| SALICYLATE #2 (M-H)- | - | 12937.33 | - | 15971.33 | - | 16004.67 | |
| SALICYLURIC ACID (M-H)- | - | 13340.67 | - | 13489.67 | - | 13566.67 | |
| SEBACIC ACID (M-H)- | 16147.00 | 13074.67 | 15056.00 | 13277.33 | 14295.33 | 13185.67 | |
| STACHYOSE (M-H)- | - | 2343.00 | - | 2174.67 | - | 1929.67 | |
| STEARIC ACID (M-H)- | 453572.00 | 520673.33 | 505282.33 | 511935.00 | 459538.33 | 524501.00 | |
| SUBERIC ACID (M-H)- | 44686.00 | 38901.33 | 41710.33 | 39242.33 | 31565.00 | 44020.67 | |
| TAURINE (M-H)- | 86205.33 | - | 106124.00 | - | 91774.33 | - | |
| THYMIDINE (M+CL)- | 210320.00 | 687175.33 | 198324.33 | 836092.33 | 247926.00 | 844616.67 | |
| THYMIDINE (M-H)- | 48473.33 | 108675.00 | 44787.33 | 100433.33 | 51870.33 | 102762.67 | |
| THYROXINE (M-H)- | 2211.00 | 4965.67 | 2497.00 | 5072.33 | 2167.67 | 5511.00 | |
| TRICARBALLYLIC ACID (M-H)- | 24194.33 | - | 19225.33 | - | 38369.50 | - | |
| TRYPTOPHAN (M-H)- | - | 2885255.67 | - | 3099451.33 | - | 3153400.33 | |
| TYROSINE (M-H)- | 628353.67 | - | 683713.33 | - | 736609.33 | - | |
| UDP-N-ACETYL-D-GALACTOSAMINE (M-H)- | 372130.33 | - | 365605.67 | - | 238876.33 | - | |
| XANTHINE (M-H)- | 162639.67 | - | 178905.67 | - | 218308.67 | - | |
| ZEATIN [ISTD] (M+CL)- | 183167.00 | 208354.33 | 187077.33 | 216196.00 | 190513.33 | 216548.67 | |
| ZEATIN [ISTD] (M-H)- | 315028.00 | 261413.33 | 332597.67 | 265597.67 | 319419.33 | 258840.00 |
Factors:
| F1 | MEHP concentration:180 | Sample type:Cells |
| F2 | MEHP concentration:180 | Sample type:Culture Media |
| F3 | MEHP concentration:90 | Sample type:Cells |
| F4 | MEHP concentration:90 | Sample type:Culture Media |
| F5 | MEHP concentration:- | Sample type:Cells |
| F6 | MEHP concentration:- | Sample type:Culture Media |
