Data for ST000953
| Metabolite structure | All data | F1 | F2 | F3 |
|---|---|---|---|---|
| 1,3-DIAMINOPROPANE | 145471.75 | 155249.50 | 97076.75 | |
| 1-AMINOCYCLOPROPANE-1-CARBOXYLATE | 5584103.75 | 4246894.25 | 3629180.25 | |
| 2-hydroxyglutarate | 96357.50 | 125010.50 | 102900.75 | |
| 2-hydroxyglutarate+Na | 579754.00 | 863037.25 | 731944.50 | |
| 2-hydroxyglutarate-water_R1 | 1769529.25 | 2599426.75 | 2197868.25 | |
| 2-hydroxyglutarate-water_R2 | 267590.25 | 691524.50 | 402105.00 | |
| 2-Phenylglycine | 50426.00 | 58134.00 | 38584.50 | |
| 3,4-DIHYDROXY-L-PHENYLALANINE | 112550.25 | 251926.75 | 128366.75 | |
| 3-HYDROXYKYNURENINE | 40175.75 | 34747.75 | 28933.75 | |
| 3-UREIDOPROPIONATE | 202551.25 | 277085.50 | 216347.50 | |
| 4-AMINOBUTANOATE (GABA)_R1 | 14075000.00 | 14000000.00 | 15491867.25 | |
| 4-AMINOBUTANOATE (GABA)_R2 | 11077371.75 | 8003972.75 | 9122486.25 | |
| 4-GUANIDINOBUTANOATE | 8641851.25 | 7063441.00 | 3989372.75 | |
| 4-HYDROXY-L-PHENYLGLYCINE_R1 | 27058.75 | 66651.25 | 32269.25 | |
| 4-HYDROXY-L-PHENYLGLYCINE_R2 | 83052.33 | 88390.50 | 118953.00 | |
| 4-IMIDAZOLEACETIC ACID | 9680410.50 | 6794777.25 | 4052028.25 | |
| 5,6-DIHYDROURACIL | 95336.50 | 151503.50 | 111626.25 | |
| 5-AMINOLEVULINIC ACID_R1 | 3767599.25 | 3390654.75 | 3371756.25 | |
| 5-AMINOLEVULINIC ACID_R2 | 1539696.00 | 2542101.00 | 1784418.25 | |
| 5-AMINOLEVULINIC ACID_R3 | 202750.25 | 174168.50 | 70146.25 | |
| 5-hydroxyindoleacetic acid | 412534.75 | 712198.50 | 455305.00 | |
| 5-HYDROXY-L-TRYPTOPHAN_R1 | 312800.50 | 292510.75 | 177092.75 | |
| 5-HYDROXY-L-TRYPTOPHAN_R2 | 96000.00 | 56850.50 | 59176.50 | |
| 5-HYDROXY-L-TRYPTOPHAN_R3 | 32111.00 | 48893.00 | 27824.50 | |
| 5-Hydroxymethyl-2-furaldehyde | 1725064.75 | 2934308.75 | 3068338.75 | |
| 5-Hydroxy-N-formylkynurenine | 303433.25 | 274091.00 | 307012.25 | |
| 5-OXO-L-PROLINE | 4283064.00 | 6046128.75 | 6762871.50 | |
| 6C-SUGAR ALCOHOL | 121097.25 | 612067.00 | 561710.00 | |
| 6-DEOXY-HEXOSE_R1 | 143824.50 | 109314.00 | 87536.00 | |
| 6-DEOXY-HEXOSE_R2 | 87706.50 | 106247.50 | 96163.00 | |
| 6-Quinolincarboxylic Acid | 231858.25 | 112474.00 | 55985.00 | |
| 7-(b-Hydroxyethyl)theophylline | 23671.00 | 23279.33 | 36409.33 | |
| Acetaminophen/Paracetamol_R1 | 40909.50 | 125665.50 | 65478.75 | |
| Acetaminophen/Paracetamol_R2 | 24375.75 | 42314.75 | 23236.50 | |
| ADENOSINE | 6759383.75 | 6950917.50 | 6160930.00 | |
| AGMATINE SULFATE | 13592399.50 | 7885850.25 | 5179876.75 | |
| ALANINE/SARCOSINE | 50350000.00 | 81100000.00 | 82975000.00 | |
| ALDO/KETO-HEXOSE | 16275000.00 | 18325000.00 | 18050000.00 | |
| ALDOPENTOSE | 67986.50 | 64254.25 | 59495.50 | |
| ALLANTOIN | 2925223.75 | 1453562.50 | 646503.00 | |
| Allopurinol | 14910093.75 | 20325000.00 | 14266039.75 | |
| ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE | 190723.25 | 363633.00 | 263007.25 | |
| Anthranilate | 279812.00 | 240736.25 | 242687.25 | |
| ASPARTATE_R1 | 2661548.00 | 1473317.75 | 1674223.50 | |
| ASPARTATE_R2 | 104593.50 | 68186.00 | 54840.50 | |
| BOC-D-Phenylalanine_R1 | 55475000.00 | 53275000.00 | 52650000.00 | |
| BOC-D-Phenylalanine_R2 | 136599.50 | 114427.00 | 116019.75 | |
| BOC-L-Tyrosine | 94475000.00 | 94650000.00 | 94050000.00 | |
| BUTYROBETAINE | 4869629.50 | 4966378.00 | 5180483.00 | |
| Butyrylcarnitine | 94284.75 | 100730.75 | 81034.00 | |
| C5-SUGAR ALCOHOL | 972008.75 | 828372.25 | 814738.50 | |
| Caffeine-D3 | 25825000.00 | 28250000.00 | 27800000.00 | |
| CARNOSINE_R1 | 343209.00 | 332721.75 | 222652.00 | |
| CARNOSINE_R2 | 34785.75 | 235485.00 | 61092.00 | |
| Choline | 122875000.00 | 137250000.00 | 120325000.00 | |
| Citrate+Na | 1026378.25 | 912096.75 | 1119212.50 | |
| Citrate+NH3 | 1490483.25 | 1200379.00 | 1454629.50 | |
| Citrate source fragment (+H and + NH3) | 1330162.50 | 1119306.00 | 1457741.50 | |
| Citrate source fragment (+NH3)_R1 | 500230.75 | 413612.25 | 516153.75 | |
| Citrate source fragment (+NH3)_R2 | 270835.50 | 229802.75 | 292065.75 | |
| CITRULLINE | 1329937.50 | 2036490.00 | 3897344.25 | |
| CMP | 342231.00 | 561108.75 | 472253.75 | |
| CREATINE | 45947.00 | 30891.50 | 33010.00 | |
| Creatine-D3_R1 | 83050000.00 | 82225000.00 | 83975000.00 | |
| Creatine-D3_R2 | 2858390.00 | 2149698.50 | 2573150.25 | |
| CYTIDINE | 209027.00 | 347390.75 | 351454.50 | |
| CYTIDINE 2^,3^-CYCLIC MONO-PHOS-PHATE | 19990.50 | 35267.50 | 42834.75 | |
| CYTIDINE 5^-DIPHOSPHOCHOLINE | 118098.50 | 146147.75 | 149882.75 | |
| CYTOSINE_R1 | 460430.00 | 567131.75 | 449758.75 | |
| CYTOSINE_R2 | 103862.75 | 158390.50 | 138411.25 | |
| D-(+)-GALACTOSAMINE | 6978814.00 | 7730646.50 | 3496934.50 | |
| D-GLUCOSAMINE 6-PHOSPHATE | 461237.50 | 320066.00 | 226152.75 | |
| Dimer of Lactose | 231108.50 | 653419.00 | 565331.50 | |
| DL-5-HYDROXYLYSINE | 49485.25 | 63213.75 | 47925.00 | |
| DOPAMINE | 531096.00 | 349237.00 | 383894.75 | |
| D-(+)-RAFFINOSE | 269490.25 | 1380830.25 | 1416455.25 | |
| D-Ribose | 100026.75 | 128686.75 | 117556.00 | |
| Ergothioneine | 35809.00 | 4251.00 | 9805.50 | |
| ETHANOLAMINE PHOSPHATE | 2388151.50 | 3109708.25 | 2463330.25 | |
| Formyl-5-hydroxykynurenamine | 189978.25 | 181306.75 | 191106.00 | |
| Formylkynurenine_R1 | 365645.50 | 333658.25 | 360585.75 | |
| Formylkynurenine_R2 | 38881.00 | 34989.00 | 35119.25 | |
| GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE_R1 | 558523.00 | 1060871.75 | 1472760.00 | |
| GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE_R2 | 110396.75 | 84350.50 | 96039.00 | |
| GLUCOSAMINE/MANNOSAMINE | 6541843.50 | 9177704.50 | 8009445.00 | |
| GLUCOSE/FRUCTOSE-PHOSPHATE | 152369.50 | 240883.75 | 216260.50 | |
| GLUTARATE | 2926.00 | 5467.50 | 6640.33 | |
| GLYCEROL | 431441.75 | 562350.25 | 562565.25 | |
| Glycerophosphocholine | 154250000.00 | 136275000.00 | 107850000.00 | |
| GLYCINE | 8619498.75 | 6065656.25 | 6184657.00 | |
| Glycyl-L-leucine | 598514.00 | 524435.75 | 415691.50 | |
| GUANIDINOACETATE | 601880.50 | 888247.75 | 868528.00 | |
| HEXOSE-6-PHOSPHATE | 5356987.00 | 4475205.00 | 3144678.75 | |
| HEXOSE-DISACCHARIDE_R1 | 4572753.25 | 8227417.00 | 8168284.50 | |
| HEXOSE-DISACCHARIDE_R2 | 2653549.75 | 4156358.50 | 3311224.25 | |
| HISTAMINE | 81825000.00 | 61300000.00 | 44250000.00 | |
| HYPOXANTHINE | 44325000.00 | 35300000.00 | 28825000.00 | |
| Isobutyrylcarnitine | 179117.00 | 181132.25 | 153381.00 | |
| ISOCITRIC ACID_R1 | 86301.75 | 59522.00 | 97810.50 | |
| ISOCITRIC ACID_R2 | 57480.00 | 46870.75 | 54075.75 | |
| Isocytosine | 235257.50 | 351899.00 | 379572.00 | |
| Kynurenic Acid | 21126572.75 | 13225000.00 | 5473049.50 | |
| Lactose | 73197.00 | 160092.50 | 125058.00 | |
| Lactose+K | 140108.50 | 327243.25 | 320702.50 | |
| L-ALLOTHREONINE | 81616.75 | 70886.50 | 101721.25 | |
| L-ARGININE | 308250000.00 | 245000000.00 | 235500000.00 | |
| L-ASPARAGINE | 17525000.00 | 15600000.00 | 11292322.25 | |
| L-CARNITINE | 36725000.00 | 44950000.00 | 41600000.00 | |
| L-CYSTATHIONINE_R1 | 355048.75 | 265855.25 | 194237.25 | |
| L-CYSTATHIONINE_R2 | 116810.00 | 77790.25 | 46759.00 | |
| L-CYSTEINE | 427392.50 | 402528.00 | 412348.00 | |
| L-Cystine | 162926.75 | 163708.00 | 200649.50 | |
| Leu Pro_R1 | 1033493.75 | 752061.00 | 352243.75 | |
| Leu Pro_R2 | 635457.25 | 370938.75 | 252127.00 | |
| L-GLUTAMINE | 181500000.00 | 194000000.00 | 184000000.00 | |
| L-HISTIDINE | 84650000.00 | 68100000.00 | 54975000.00 | |
| L-Isoleucine | 83025000.00 | 68375000.00 | 57225000.00 | |
| L-KYNURENINE | 2889812.75 | 4920676.25 | 3355223.00 | |
| LL-2,6-DIAMINOHEPTANEDIOATE_R1 | 261189.75 | 288793.75 | 215608.50 | |
| LL-2,6-DIAMINOHEPTANEDIOATE_R2 | 322678.25 | 287047.50 | 200608.25 | |
| L-(+)-Lactic Acid_R1 | 43995.75 | 100166.25 | 65673.75 | |
| L-(+)-Lactic Acid_R2 | - | 17444.00 | 14096.50 | |
| L-LEUCINE | 120166666.67 | 103625000.00 | 74150000.00 | |
| L-Leucine 13C6 | 46250000.00 | 48975000.00 | 52075000.00 | |
| L-LYSINE | 24900000.00 | 21825000.00 | 16325000.00 | |
| L-METHIONINE | 11379772.00 | 11119993.00 | 8076517.50 | |
| L-PROLINE | 856000000.00 | 522250000.00 | 518250000.00 | |
| L-SERINE | 21525000.00 | 19425000.00 | 18750000.00 | |
| Methionine Sulfoxide | 56975000.00 | 54750000.00 | 45000000.00 | |
| METHYL BETA-D-GALACTOSIDE | 649394.00 | 1081800.50 | 430951.50 | |
| N-Acetyl-Arginine | 256675.50 | 229130.50 | 148187.50 | |
| N-ACETYL-DL-GLUTAMIC ACID | 2455653.75 | 3465985.50 | 3994699.50 | |
| N-ACETYL-DL-SERINE | 151013.00 | 142668.00 | 126974.00 | |
| N-ACETYLGLYCINE | 2043268.75 | 3603000.00 | 3321974.25 | |
| N-ACETYL-HEXOSAMINE | 284198.00 | 120103.75 | 49414.75 | |
| N-ACETYL-L-ASPARTIC ACID | 40817.25 | 67895.67 | 61134.00 | |
| N-ACETYLNEURAMINATE | 548102.75 | 773398.00 | 277306.25 | |
| N-ACETYLPUTRESCINE | 2927245.75 | 3838736.50 | 3056040.50 | |
| N-ALPHA-ACETYL-L-LYSINE | 66361.00 | 100002.75 | 82648.75 | |
| N-BOC-L-Aspartic Acid_R1 | 12450000.00 | 13450000.00 | 13025000.00 | |
| N-BOC-L-Aspartic Acid_R2 | 309965.00 | 320702.75 | 310141.25 | |
| N-BOC-L-tert-Leucine | 14775000.00 | 15400000.00 | 14300000.00 | |
| N-BOC-L-Tryptophan | 40625000.00 | 37575000.00 | 37600000.00 | |
| NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE | 64500000.00 | 61775000.00 | 53625000.00 | |
| NICOTINAMIDE | 7241008.75 | 10162895.75 | 11738284.75 | |
| NICOTINAMIDE MONONUCLEOTIDE | 162600.50 | 250091.00 | 153888.75 | |
| N-METHYL-D-ASPARTIC ACID | 200250000.00 | 154750000.00 | 132500000.00 | |
| N(PAI)-METHYL-L-HISTIDINE | 16075000.00 | 14850000.00 | 11988304.00 | |
| ORNITHINE | 1305598.75 | 821499.50 | 852761.50 | |
| Orthophosphate | 10714330.75 | 10287807.25 | 8172795.00 | |
| Pantothenic Acid | 5087275.00 | 4030112.50 | 4061719.00 | |
| PEG n5 | 2533984.25 | 2894728.00 | 4351584.75 | |
| Phenylalanine | 155066666.67 | 96002550.00 | 60425000.00 | |
| Phenylalanine-HCOOH | 26200000.00 | 21750000.00 | 10696080.25 | |
| PHOSPHOCHOLINE_R1 | 300500000.00 | 303500000.00 | 282250000.00 | |
| PHOSPHOCHOLINE_R2 | 218456.75 | 222452.50 | 192899.75 | |
| PHOSPHO(ENOL)PYRUVIC ACID | 27551.75 | 74163.25 | 44857.25 | |
| PICOLINIC ACID | 28725000.00 | 42250000.00 | 51725000.00 | |
| PIPECOLATE/L-PIPECOLIC ACID_R1 | 1413090.00 | 527725.75 | 499857.75 | |
| PIPECOLATE/L-PIPECOLIC ACID_R2 | 409412.50 | 310973.00 | 284080.25 | |
| Proprionylcarnitine | 581030.00 | 790602.50 | 832966.75 | |
| PUTRESCINE | 3233033.25 | 4756470.00 | 3461171.75 | |
| PYRIDOXAL | 179277.75 | 232875.75 | 182999.75 | |
| RIBOFLAVIN | 586905.25 | 471006.50 | 215278.50 | |
| (R)-MALATE | 626134.00 | 1001359.00 | 1009719.50 | |
| SEROTONIN-NH3 | 43376.25 | 42635.25 | 29796.00 | |
| SEROTONIN_R1 | 3513065.50 | 2208151.25 | 1990032.00 | |
| SEROTONIN_R2 | 2035148.75 | 1538573.00 | 1406977.25 | |
| SN-GLYCEROL 3-PHOSPHATE | 4913301.50 | 14038747.50 | 14150000.00 | |
| (S)-NICOTINE | 191250000.00 | 219000000.00 | 205175000.00 | |
| Source Fragment TRP | 150510.75 | 138212.25 | 97199.25 | |
| Stachydrine | 3877232.50 | 5502862.25 | 4051845.25 | |
| STACHYOSE | 30456.00 | 233435.75 | 257498.25 | |
| SUCCINATE | 415952.50 | 407063.25 | 383990.00 | |
| TAURINE | 76500000.00 | 72950000.00 | 78350000.00 | |
| THIAMINE | 54493.00 | 43675.50 | 24771.25 | |
| THREONINE/HOMOSERINE | 28225000.00 | 23325000.00 | 20650000.00 | |
| THYMINE | 72226.50 | 73354.00 | 75590.00 | |
| Trigonelline | 2513816.75 | 2893676.00 | 3262752.75 | |
| Tryptophan | 33475000.00 | 31000000.00 | 19620672.50 | |
| Tryptophan-2,3,3-D3 | 115500000.00 | 118750000.00 | 116750000.00 | |
| Tryptophan-2,3,3-D3-NH3 | 40875000.00 | 41450000.00 | 39400000.00 | |
| Tryptophan-NH3 | 12600000.00 | 11820842.00 | 6971071.25 | |
| TYRAMINE | 232873.25 | 394459.50 | 493037.25 | |
| URACIL | 712288.50 | 855975.25 | 997223.50 | |
| URATE | 107075000.00 | 120150000.00 | 34675000.00 | |
| URIDINE | 103542.75 | 204165.50 | 186884.00 | |
| URIDINE-5-MONOPHOSPHATE | 746074.50 | 874812.25 | 706834.75 | |
| Xanthurenic Acid | 1782337.25 | 1110309.25 | 247721.50 |
Factors:
| F1 | Treatment:ACC |
| F2 | Treatment:RCH |
| F3 | Treatment:RT |
