Data for ST000418
| Metabolite structure | All data | F1 | F2 | F3 |
|---|---|---|---|---|
| 1,5-anhydroglucitol | 25445.00 | 8348.60 | 13112.75 | |
| 1-monostearin | 633.40 | 371.60 | 443.33 | |
| 2-hydroxybutanoic acid | 53490.20 | 50047.80 | 88623.75 | |
| 2-hydroxyglutaric acid | 13125.40 | 10655.00 | 14713.83 | |
| 2-hydroxypyridine | 103025.80 | 109488.60 | 107728.42 | |
| 3247 melibiose-like | 762.80 | 188.60 | 282.75 | |
| 3,4-dihydroxycinnamic acid | 245.40 | 421.20 | 884.42 | |
| 3-(4-hydroxyphenyl)propionic acid | 2028.80 | 13517.40 | 13936.17 | |
| 3-phosphoglycerate | 7127.00 | 5976.60 | 9548.25 | |
| 4-hydroxypyridine | 14424.60 | 15842.80 | 15858.50 | |
| alanine | 456594.20 | 258618.40 | 496009.92 | |
| alpha-ketoglutarate | 16266.40 | 6320.60 | 5748.50 | |
| aminomalonic acid | 4051.40 | 1432.20 | 3470.08 | |
| arabinose | 1347.80 | 798.00 | 1356.50 | |
| arabitol | 125392.60 | 1584.60 | 41408.42 | |
| arachidiic acid | 18184.80 | 16763.60 | 18746.42 | |
| asparagine dehydrated | 20894.80 | 8973.00 | 10235.33 | |
| asparagine minor | 7053.20 | 3105.20 | 3186.25 | |
| aspartate minor | 4754.80 | 2919.40 | 6908.75 | |
| behenic acid | 2856.00 | 2086.80 | 3190.83 | |
| benzoic acid | 59316.00 | 46407.40 | 59461.08 | |
| beta alanine | 3931.00 | 3814.40 | 4905.42 | |
| beta-hydroxybutyric acid | 72171.40 | 79654.40 | 108071.75 | |
| butane-2,3-diol nist | 83378.60 | 68199.60 | 120271.00 | |
| butyrolactam nist | 15710.80 | 5106.20 | 16111.08 | |
| capric acid | 926.40 | 886.40 | 919.67 | |
| catechol (likely) | 307.60 | 424.80 | 308.92 | |
| chlorogenic acid major | 28.20 | 84.40 | 238.00 | |
| citric acid | 251646.60 | 119385.00 | 211547.08 | |
| cyanoalanine | 941.40 | 584.80 | 504.83 | |
| cyclohexylamine 1tms | 5706.20 | 5604.60 | 7832.08 | |
| cystine | 775.60 | 747.80 | 538.67 | |
| enolpyruvate nist | 7866.40 | 6501.40 | 8553.67 | |
| fructose 2 | 26866.60 | 4959.60 | 25956.00 | |
| fructose-6-phosphate 2 | 258.20 | 256.40 | 203.33 | |
| fumaric acid | 7090.00 | 3710.00 | 4824.83 | |
| glucose | 209558.80 | 75555.20 | 180156.83 | |
| glucose 2 | 45868.60 | 23858.20 | 64088.33 | |
| glucose-6-phosphate major | 7766.80 | 6905.20 | 6756.58 | |
| glucose-6-phosphate minor | 1403.60 | 1307.60 | 1318.08 | |
| glutamine 3TMS major | 80258.60 | 64447.20 | 98050.75 | |
| glutamine dehydrated | 2946.40 | 1768.80 | 3494.08 | |
| glutaric acid | 2954.60 | 703.80 | 927.42 | |
| glyceric acid | 12437.40 | 8473.60 | 9405.08 | |
| glycerol | 154217.20 | 156336.20 | 146610.50 | |
| glycine | 2213490.00 | 1374254.60 | 1482199.83 | |
| glycolic acid | 15045.60 | 18250.80 | 22866.67 | |
| guanosine | 1096.20 | 1692.00 | 1600.08 | |
| heptadecanoic acid | 13753.00 | 12301.20 | 13260.67 | |
| hexanedioic acid, bis(2-ethylhexyl) ester nist (likely) | 7909.40 | 4764.80 | 5250.08 | |
| hexose pertms nist | 7023.60 | 2485.40 | 4797.17 | |
| hippuric acid 2tms | 4605.60 | 2741.20 | 4910.00 | |
| histidine 2 | 144524.40 | 50716.80 | 74185.50 | |
| hydroxylamine | 11317.20 | 12277.40 | 11570.17 | |
| isoleucine | 64640.80 | 34165.80 | 50079.92 | |
| isothreonic acid 2 | 2724.00 | 1947.40 | 2155.33 | |
| isothreonic acid 4 | 1661.00 | 1205.80 | 1967.42 | |
| itaconic acid | 12830.20 | 8936.60 | 15369.67 | |
| lactic acid | 2533886.20 | 3086227.40 | 3131059.33 | |
| leucine | 97135.60 | 56380.80 | 90278.67 | |
| linoleic acid | 481.60 | 558.60 | 1166.67 | |
| lysine | 407242.00 | 220476.40 | 276718.58 | |
| maleimide | 557493.00 | 249368.20 | 321968.33 | |
| malic acid | 7097.80 | 3966.20 | 5805.92 | |
| malonic acid | 11111.60 | 12994.00 | 12054.42 | |
| maltotriose 1 | 5403.20 | 3741.20 | 14224.00 | |
| maltotriose 2 | 341.80 | 191.00 | 367.08 | |
| melibiose minor | 91.20 | 141.00 | 489.58 | |
| methionine (likely) | 4981.80 | 3082.80 | 5281.92 | |
| methyltetrahydrophenanthrenone2 nist | 17712.40 | 23159.40 | 24494.00 | |
| myristic acid | 1937.40 | 2454.40 | 2386.17 | |
| n-acetyl-d-hexosamine 2 | 1466.20 | 1064.80 | 1600.75 | |
| n-acetylgalactosamine | 10529.40 | 7777.80 | 11290.25 | |
| N-acetyl-L-aspartic acid 1 | 4359.80 | 3812.60 | 1744.58 | |
| n-methylalanine | 18458.00 | 31151.80 | 45417.58 | |
| octadecanol | 680.80 | 699.00 | 568.92 | |
| oleic acid | 5933.20 | 4265.60 | 7144.00 | |
| ornithine 3tms | 111668.00 | 59245.40 | 101622.25 | |
| ornithine 4TMS | 455017.20 | 279978.00 | 295939.08 | |
| oxoproline | 570281.00 | 349442.80 | 363280.33 | |
| palmitoleic acid | 2878.40 | 3310.20 | 3525.58 | |
| pelargonic acid | 4959.40 | 4446.80 | 4234.17 | |
| pentadecanoic acid | 577.20 | 599.00 | 704.33 | |
| phenol | 31960.20 | 31789.60 | 33529.17 | |
| phosphate | 1902602.40 | 1615896.00 | 1915616.50 | |
| phosphogluconic acid | 817.60 | 815.60 | 1216.25 | |
| phthalate ester | 29344.60 | 43576.40 | 46789.58 | |
| phthalic acid | 618932.40 | 40702.80 | 53780.50 | |
| pinitol (put by literature Tree Physiol) | 729.60 | 1359.00 | 462.83 | |
| pipecolinic acid | 2340.40 | 14099.20 | 6681.92 | |
| possible sucrose | 5755.60 | 2947.80 | 4511.17 | |
| proline | 3443461.00 | 1452549.00 | 1689696.00 | |
| pseudo-uridine | 1959.00 | 2148.80 | 2203.08 | |
| putrescine | 859745.60 | 478469.80 | 666513.75 | |
| ribitol (likely) | 3781.40 | 2616.00 | 2561.58 | |
| salicylic acid | 1427.00 | 2131.80 | 4845.67 | |
| serine | 126177.80 | 96638.20 | 128679.75 | |
| serine minor | 135152.80 | 145517.00 | 116379.08 | |
| shikimic acid | 33920.20 | 26692.40 | 34254.67 | |
| spermidine | 2946.00 | 2975.80 | 4873.50 | |
| stearic acid | 3328853.80 | 3096363.40 | 3333971.50 | |
| succinic acid | 1345895.60 | 692279.20 | 652710.67 | |
| taurine | 43740.20 | 66629.40 | 54792.33 | |
| threonine | 9330.40 | 11324.20 | 13844.17 | |
| trans-4-hydroxy-L-proline minor1 | 4039.80 | 3593.60 | 3724.42 | |
| tyrosine | 873737.00 | 319656.80 | 327311.33 | |
| udp-n-acetylglucosamine | 658.20 | 403.40 | 506.83 | |
| uracil | 9444.80 | 7253.60 | 11574.33 | |
| urea | 124891.00 | 143218.80 | 103093.25 | |
| uric acid | 344989.80 | 258728.60 | 273596.17 | |
| uridine-5^-monophosphate | 282.60 | 166.40 | 307.75 | |
| uridine minor | 1273.00 | 1553.80 | 2080.00 | |
| valine | 149298.20 | 77256.20 | 119469.67 | |
| valine 1tms | 1121.60 | 706.80 | 1015.25 | |
| xylose | 4863.40 | 3372.20 | 3725.83 | |
| z artifact1 | 7564.00 | 9349.60 | 9283.92 | |
| z artifact2 | 280.20 | 321.80 | 318.00 | |
| z artifact3 | 2030.80 | 2145.20 | 2137.33 | |
| z dioctylphtalate | 687922.20 | 727464.80 | 732597.42 | |
| z mstfa artifact | 318815.80 | 361808.20 | 555278.42 | |
| z polysiloxane | 562.40 | 592.20 | 469.67 |
Factors:
| F1 | Group:CF |
| F2 | Group:MOM |
| F3 | Group:NCF |
