Data for ST000724
Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 |
---|---|---|---|---|---|---|---|
10-HYDROXYDECANOIC ACID (M+NA)+ | 15044.00 | 4647.00 | - | - | - | 6378.00 | |
11-DEOXYCORTICOSTERONE (M+NA)+ | - | - | - | - | 10080.00 | - | |
16:0-18:0 PC (M+H)+ | 994913.00 | 757826.67 | 579063.00 | 980661.00 | 687467.88 | 832487.00 | |
16:0-18:0 PC (M+NA)+ | 392771.50 | 266218.38 | 275971.00 | 95124.00 | 172490.83 | 294189.00 | |
16:0 LYSO PC (M+H)+ | 31200000.00 | 29488888.89 | 24600000.00 | 33200000.00 | 27772560.12 | 31485714.29 | |
16:0 LYSO PC (M+NA)+ | 2609151.57 | 1681828.00 | 3499335.00 | 2766410.00 | 2250611.12 | 1435316.86 | |
17ALPHA-HYDROXYPROGESTERONE (M+H)+ | - | - | - | 24260.00 | - | - | |
17BETA-HYDROXYANDROSTAN-3-ONE (M+NA)+ | - | 1557.00 | - | - | 1346.00 | 1369.50 | |
18:0 LYSO-PE (2M+H)+ | - | 10783.00 | - | - | 18994.00 | 17991.00 | |
18:0 LYSO-PE (2M+NA)+ | 8032.00 | 16253.00 | - | - | 5265.00 | 12477.33 | |
18:0 LYSO-PE (M+H)+ | 235841.14 | 333930.11 | 410266.00 | 208583.00 | 326278.88 | 376639.71 | |
18:0 LYSO-PE (M+NA)+ | 43960.00 | 52488.56 | 73062.00 | 23320.00 | 53530.25 | 54283.57 | |
1-METHYLADENOSINE (M+H)+ | 10648.29 | 13517.56 | 5515.00 | - | 9031.00 | 8682.00 | |
1-METHYLNICOTINAMIDE M+ | 3471.00 | 4634.80 | - | - | 4858.25 | 4075.86 | |
1-METHYLXANTHINE (M+H)+ | 2363855.29 | 3190609.56 | 1575701.00 | 2574053.00 | 2374155.86 | 2421135.29 | |
1-METHYLXANTHINE (M+NA)+ | 31746.75 | 43561.75 | - | - | 33456.50 | 25851.00 | |
1-PHENYLETHANOL (M+H)+[-H2O] | - | 3296.00 | - | - | 4432.00 | 10940.00 | |
20:0 LYSO PC (M+H)+ | 222098.57 | 691735.89 | 506558.00 | 335654.00 | 564378.62 | 778216.43 | |
20:0 LYSO PC (M+NA)+ | 126266.14 | 957766.00 | 702365.00 | 103406.00 | 928357.43 | 1162293.00 | |
24:0 SM (D18:1/24:0) (M+H)+ | 1139335.20 | 2020116.33 | - | 1098240.00 | 1213951.67 | 950108.50 | |
24:0 SM (D18:1/24:0) (M+NA)+ | 364525.86 | 204705.11 | 117372.00 | 360212.00 | 346146.12 | 299891.71 | |
25-HYDROXYCHOLESTEROL (M+H)+[-H2O] | - | - | - | - | 1912.00 | - | |
2-AMINOETHYL DIHYDROGEN PHOSPHATE (M+NA)+ | 12022.20 | - | - | - | 13022.33 | 7671.67 | |
2-AMINOPHENOL (M+H)+ | - | 3176.33 | - | - | - | 4024.00 | |
2^-DEOXYCYTIDINE 5^-MONOPHOSPHATE (M+NA)+ | - | 4936.50 | - | 6351.00 | - | 7111.00 | |
2-DEOXY-D-GLUCOSE (M+NA)+ | 36972.83 | 25495.40 | 25563.00 | 14703.00 | 28345.86 | 37840.00 | |
2^-DEOXYINOSINE (2M+NA)+ | - | 8060.00 | - | - | - | 3500.00 | |
2^-DEOXYINOSINE (M+H)+ | - | 2383.00 | - | - | - | - | |
2^-DEOXYINOSINE (M+NA)+ | 4324.50 | 6542.40 | - | - | 3595.33 | 9009.50 | |
2-HYDROXY-3-METHYLBUTYRIC ACID (M+NA)+ | 13750.00 | 16450.00 | - | 16569.00 | - | 15271.00 | |
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M+H)+ | 5277.00 | 2201.00 | - | - | - | 3823.00 | |
2-METHOXYESTRADIOL (M+H)+[-H2O] | - | 3274.00 | - | - | 1164.00 | 8650.00 | |
2-METHYLMALEIC ACID #2 (M+H)+ | - | - | - | - | - | 6323.00 | |
3-(4-HYDROXYPHENYL)LACTIC ACID (M+NA)+ | 14720.67 | 14797.00 | 11842.00 | 12123.00 | 12906.00 | 10326.83 | |
3-AMINO-4-HYDROXYBENZOIC ACID (M+H)+ | - | 71043.00 | - | - | - | - | |
3-AMINOISOBUTYRIC ACID (M+H)+[-H2O] | - | - | - | - | - | 7577.00 | |
3-DEHYDROSHIKIMIC ACID (M+H)+[-H2O] | - | 29531.00 | - | - | 13796.00 | - | |
3-DEHYDROSHIKIMIC ACID (M+NA)+ | - | 4153.50 | - | - | 1677.00 | - | |
3-DEHYDROXYCARNITINE (M+H)+ | 987004.75 | 818418.00 | - | 276182.00 | 1050558.60 | 1752460.25 | |
3-HYDROXY-3-METHYLGLUTARIC ACID (M+H)+[-H2O] | 12194.00 | 5453.00 | - | - | - | 27899.00 | |
3-HYDROXY-3-METHYLGLUTARIC ACID (M+NA)+ | 1741778.14 | 1740211.89 | 1817532.00 | 1897419.00 | 1678094.62 | 1791360.29 | |
3-HYDROXYANTHRANILIC ACID (M+H)+ | 3784.00 | 6284.33 | - | - | 5591.00 | 4480.00 | |
3-HYDROXYKYNURENINE (M+H)+ | 25657.00 | 61297.00 | - | 30587.00 | 28894.50 | 20635.00 | |
3-HYDROXYMORPHINAN (M+H)+ | - | - | - | - | 5115.00 | - | |
3-HYDROXYPHENYLACETATE #2 (M+H)+ | - | 1147.00 | - | - | - | - | |
3-METHOXYTYROSINE (M+H)+ | 62574.00 | 85914.88 | 22346.00 | - | 56230.38 | 78537.33 | |
3-METHYLBUTANOL (M+NA)+ | 2178.00 | - | - | - | - | - | |
3-METHYLHISTAMINE (M+H)+ | - | - | - | - | 4012.00 | - | |
3-METHYLXANTHINE (M+H)+ | 55893.00 | 38095.67 | - | 38651.00 | 14440.67 | 44329.50 | |
3-NITRO-L-TYROSINE (M+H)+ | 18269.00 | 15367.00 | - | - | 13161.00 | - | |
3-UREIDOPROPIONIC ACID (M+H)+ | - | 10447.00 | - | - | 20094.00 | - | |
4-ACETAMIDOBUTANOIC ACID (M+NA)+ | 24876.00 | 27312.00 | 15216.00 | 51523.00 | 28322.33 | 31531.00 | |
4-ACETAMINOPHEN SULFATE (M+H)+ | - | 1293.00 | - | - | - | - | |
4-HYDROXY-3-METHOXYPHENYLGLYCOL (M+H)+[-H2O] | 18384.00 | - | - | - | - | - | |
4-HYDROXYBENZALDEHYDE (M+H)+ | 14975.25 | 5100.75 | 2303.00 | - | 2600.00 | 6803.20 | |
4-METHYL-2-OXOVALERIC ACID (M+NA)+ | 79555.43 | 19774.88 | 10168.00 | 24342.00 | 23439.50 | 20081.33 | |
4-METHYLCATECHOL (M+NA)+ | - | 1355.00 | - | - | - | - | |
4-PYRIDOXIC ACID (M+H)+ | 18354.00 | 9342.00 | 7737.00 | 16007.00 | 16303.67 | 10973.33 | |
4-QUINOLINECARBOXYLIC ACID #2 (M+H)+ | - | 7078.00 | - | - | 28520.00 | 17688.00 | |
5-AMINOLEVULINIC ACID (M+NA)+ | 27424.00 | 7364.00 | - | - | 6391.00 | - | |
5-AMINOPENTANOIC ACID (M+H)+ | 2678125.57 | 2330046.29 | 1166047.00 | 2137548.00 | 1337181.00 | 1885584.33 | |
5-HYDROXYTRYPTOPHAN (2M+H)+ | - | - | - | - | 1777.00 | - | |
5-HYDROXYTRYPTOPHAN (M+H)+ | 119795.00 | 68496.25 | - | 154947.00 | 43047.00 | 69548.20 | |
5^-METHYLTHIOADENOSINE (M+H)+ | 51876.17 | 65258.33 | 36414.00 | 59665.00 | 46415.43 | 54192.71 | |
5-OXOPROLINE (M+H)+ | 443388.86 | 377151.00 | 457571.00 | 543731.00 | 341765.00 | 420599.71 | |
5-VALEROLACTONE (M+H)+ | 49399.25 | 73362.14 | 19329.00 | - | 38798.12 | 76081.00 | |
ABRINE (M+H)+ | 7939.00 | - | - | - | 1808.00 | - | |
ACETAMINOPHEN (TN TYLENOL) (M+H)+ | 5226.00 | - | - | 8161.00 | - | 6606.00 | |
ACETAMINOPHEN (TN TYLENOL) (M+NA)+ | 4859.00 | 6246.20 | - | 22045.00 | 13153.50 | 13816.00 | |
ACETOACETIC ACID (M+H)+ | - | 1045.00 | - | - | - | - | |
ACETOACETYL-COA (M+H)+ | - | 2035.00 | - | - | 2782.00 | - | |
ACETYLCARNITINE (M+H)+ | 550431.14 | 432022.62 | 408991.00 | 333900.00 | 784494.75 | 506021.00 | |
ACETYLCHOLINE M+ | 9721.00 | 12850.50 | - | - | 8922.00 | 4426.00 | |
ADENOSINE 5^-MONOPHOSPHATE (M+H)+ | 119517.00 | 31242.33 | - | - | 44732.00 | 6602.33 | |
ADIPIC ACID (M+H)+ | 65901.86 | 55070.56 | 64750.00 | 72530.00 | 53074.17 | 45151.00 | |
ADIPIC ACID (M+NA)+ | 302703.29 | 261709.12 | 232772.00 | 419421.00 | 157484.67 | 131117.86 | |
ADP-RIBOSE (M+H)+ | 1622.00 | 1334.00 | - | - | 2601.00 | 1141.00 | |
AHBA (M+H)+ | - | 58758.50 | - | - | 93929.50 | - | |
AICAR (M+H)+ | 4121.00 | 6767.33 | - | 4535.00 | 4394.00 | 6464.75 | |
ALANINE (M+H)+ | - | 17532.00 | - | - | - | - | |
ALDOSTERONE (M+NA)+ | - | 8261.00 | - | - | - | 23521.00 | |
ALLANTOIN (M+H)+ | 21989.50 | 14093.00 | - | 57254.00 | 11170.43 | 19328.50 | |
ALLANTOIN (M+NA)+ | - | - | - | - | 1832.00 | - | |
ALLOPREGNANOLONE (M+NA)+ | - | 4678.00 | - | - | - | 4709.50 | |
ALPHA-D-GALACTOSE 1-PHOSPHATE (M+NA)+ | - | 1016.00 | - | - | - | - | |
ALPHA-KETO-GLUTARIC ACID (M+H)+[-H2O] | - | - | - | - | 102665.00 | 3709.00 | |
ALPHA-TOCOPHEROL (M+H)+ | 17861.00 | 54119.25 | 10139.00 | - | 43963.00 | 49706.17 | |
ANDROSTERONE (M+NA)+ | - | - | - | - | 2188.00 | - | |
ARACHIDONYLCARNITINE (*) M+ | - | - | - | - | 3283.00 | - | |
ASPARAGINE (M+H)+ | 25964.00 | 30656.50 | - | - | 24486.80 | 23623.60 | |
ASPARTIC ACID (M+NA)+ | 18164.00 | 33862.50 | - | - | 14357.25 | 7706.00 | |
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (M+H)+ | - | 1007.00 | - | - | - | - | |
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (M+NA)+ | - | 2058.00 | - | - | - | - | |
BILIVERDIN (M+H)+ | 3659.00 | 3426.50 | - | - | 2304.50 | 2200.50 | |
BILIVERDIN (M+NA)+ | - | - | - | - | 3667.00 | - | |
BIOTIN (M+H)+[-H2O] | 101180.29 | 76954.00 | 5053.00 | 244489.00 | 12229.00 | 11237.75 | |
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+ | 1237233.86 | 2883220.67 | 4776561.00 | 783834.00 | 2561567.12 | 3122746.43 | |
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+ | 980466.00 | 431513.75 | 579139.00 | - | 352961.88 | 698280.17 | |
BIS-GAMMA-GLUTAMYLCYSTINE (M+H)+ | - | - | - | - | - | 1016.00 | |
BIURET (M+H)+ | - | 40684.25 | - | - | 20883.00 | 12143.00 | |
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (M+NA)+ | - | 4890.00 | - | - | - | - | |
CAFFEIC ACID (M+H)+ | - | 4957.00 | 4813.00 | - | - | - | |
CAFFEIC ACID (M+H)+[-H2O] | 1772.00 | 4861.00 | 6844.00 | - | - | 6945.00 | |
CAFFEINE (M+H)+ | 34230.75 | 43105.67 | 11445.00 | 130018.00 | 58583.60 | 69060.33 | |
CAFFEINE (M+NA)+ | 18690.14 | 27593.00 | 10212.00 | 94040.00 | 37095.00 | 47193.86 | |
CALCIDIOL (M+H)+ | - | 2600.50 | - | - | - | - | |
CALCIDIOL (M+H)+[-H2O] | - | - | - | - | 2801.00 | - | |
CALCIDIOL (M+NA)+ | - | 6907.00 | - | - | - | - | |
CARNITINE (M+H)+ | 100487.43 | 11447.78 | 97883.00 | 3881.00 | 39111.50 | 38417.14 | |
CARNOSINE (M+H)+ | 3573.00 | 2780.00 | - | 3250.00 | 1072.00 | - | |
CHLORPHENIRAMINE (M+H)+ | 6419.00 | 4083.00 | - | - | - | - | |
CHOLESTEROL HYDROGEN SULFATE M+[-HSO4] | 113018.20 | 67210.80 | - | 17978.00 | 63213.20 | 35883.67 | |
CHOLESTEROL (M+H)+[-H2O] | 1127521.14 | 891363.67 | 896016.00 | 890555.00 | 893497.38 | 915161.29 | |
CHOLIC ACID (M+NA)+ | 4355.00 | 6060.00 | - | - | 2646.00 | - | |
CHOLINE M+ | 9241.86 | 15279.67 | - | 11063.00 | 19944.29 | 13966.57 | |
CHOLINE PHOSPHATE (M+H)+ | 5577.00 | 7743.12 | 6640.00 | - | 7918.00 | 7890.67 | |
CHOLINE PHOSPHATE (M+NA)+ | 1762.00 | 2047.00 | - | 7062.00 | 2497.20 | 2024.50 | |
CITRIC ACID (M+H)+[-H2O] | - | 50805.75 | - | - | 38543.50 | 36784.00 | |
CITRIC ACID (M+NA)+ | 72176.00 | 782002.11 | 148652.00 | 203766.00 | 342471.50 | 368113.86 | |
CITRULLINE (M+H)+ | 51295.57 | 40454.33 | 51113.00 | 54298.00 | 38763.29 | 54190.60 | |
CITRULLINE (M+NA)+ | 18194.86 | 16265.00 | 7266.00 | - | 13834.12 | 18482.14 | |
CMP (M+H)+ | - | 42383.33 | 10139.00 | - | - | 18869.00 | |
CORTISOL 21-ACETIC ACID (M+H)+[-H2O] | 12707.57 | 112946.33 | 21588.00 | 43066.00 | 30215.80 | 49428.20 | |
CORTISOL 21-ACETIC ACID (M+NA)+ | - | 3317.60 | - | - | 3292.50 | 4358.00 | |
CORTISOL (M+NA)+ | - | 13707.00 | - | - | - | - | |
CREATINE (M+H)+ | 307771.75 | 264961.00 | - | - | 157712.25 | 223883.50 | |
CREATININE (M+H)+ | 27741.00 | 27478.00 | - | - | - | 18547.00 | |
CYCLOPENTANONE (2M+K)+ | - | 2269.00 | - | - | 5141.00 | - | |
CYSTATHIONINE (M+H)+ | 31146.86 | 32049.89 | 49245.00 | 26935.00 | 27358.57 | 30550.86 | |
CYSTATHIONINE (M+NA)+ | 2635.00 | 5555.00 | - | - | 3772.00 | 1653.00 | |
CYSTEIC ACID (M+H)+ | 22091.50 | 22666.50 | - | 14240.00 | 22072.75 | 22187.00 | |
CYSTINE (M+NA)+ | 15466.86 | 12640.33 | 17902.00 | 10173.00 | 12237.33 | 15765.50 | |
CYTIDINE (2M+H)+ | - | 1063.00 | - | - | - | 2096.00 | |
DECANOIC ACID (2M+NA)+ | 20269.00 | 10991.50 | - | - | 16180.80 | 11326.00 | |
DECANOYLCARNITINE (*) (M+H)+ | - | 52094.50 | - | - | 30888.25 | 28088.00 | |
DECENOYLCARNITINE (*) (M+H)+ | 2236.00 | 8144.50 | - | 1202.00 | 5421.33 | 6043.00 | |
DEHYDROEPIANDROSTERONE (M+H)+ | - | 3173.00 | - | - | 5965.00 | 1623.00 | |
DEOXYADENOSINE (M+H)+ | 4277.00 | - | - | - | - | - | |
DEOXYCHOLIC ACID (M+H)+ | - | - | - | - | 3086.00 | - | |
DEOXYCHOLIC ACID (M+H)+[-H2O] | 51079.00 | 51946.67 | 95169.00 | 41341.00 | 46460.57 | 47385.71 | |
DEOXYCHOLIC ACID (M+NA)+ | 1061453.29 | 1046967.67 | 1093145.00 | 1018877.00 | 1121652.62 | 1067668.43 | |
DEOXYCORTICOSTERONE ACETATE (M+NA)+ | 14671.40 | 30772.29 | - | 17934.00 | 14122.33 | 27216.71 | |
DEOXYCYTIDINE (M+NA)+ | 1179.50 | 2420.50 | - | - | 2762.00 | 3682.00 | |
DEOXYURIDINE (M+NA)+ | 6619.33 | 7638.25 | - | 10708.00 | 11439.00 | 10671.25 | |
DEPHOSPHO-COA (M+H)+ | 3819.00 | - | - | - | 6250.00 | 6302.00 | |
DESMOSTEROL (M+H)+[-H2O] | 37620.00 | 24495.29 | 14189.00 | 21857.00 | 23519.50 | 26990.86 | |
D-GALACTOSAMINE (M+H)+ | 63327.50 | 35272.40 | 6266.00 | - | 25022.20 | 34674.60 | |
D-GALACTOSAMINE (M+H)+[-H2O] | 61548.00 | 97563.56 | 13128.00 | 30291.00 | 41767.62 | 68524.86 | |
D-GALACTOSAMINE (M+K)+ | 3096.00 | 4078.67 | - | 1908.00 | 21561.00 | - | |
D-GLUCOSE 6-PHOSPHATE (M+NA)+ | 14899.67 | 29204.00 | - | 11037.00 | 33430.17 | 37188.33 | |
DIHYDROOROTIC ACID (M+H)+ | - | 12325.00 | - | - | 16879.33 | 10693.00 | |
DIPALMITOYL-GLYCEROL (M+H)+[-H2O] | 2453.00 | - | - | - | - | - | |
DODECENOYLCARNITINE (*) II M+ | 16611.25 | 21635.67 | 5445.00 | 5247.00 | 24219.75 | 19658.00 | |
DODECENOYLCARNITINE (*) M+ | 3324.00 | - | - | - | - | - | |
DOXYLAMINE (M+H)+ | 1367.00 | 1168.00 | - | - | 1051.00 | 1318.50 | |
DUMP (M+H)+ | 7472.50 | 4702.00 | 5635.00 | - | 8829.75 | 6729.50 | |
EICOSANOYLCARNITINE (*) (M+H)+ | 6419.17 | 21978.71 | 2565.00 | 6453.00 | 10450.29 | 15548.14 | |
EICOSENOYLCARNITINE (*) (M+H)+ | 13535.80 | 21187.50 | 4949.00 | 12218.00 | 21742.50 | 16367.40 | |
ELAIDIC ACID (M+H)+ | 29561.57 | 71656.22 | 96932.00 | 31811.00 | 61059.25 | 72907.29 | |
ELAIDIC ACID (M+NA)+ | 2114.00 | 21019.67 | 23052.00 | - | 21983.50 | 22816.33 | |
EPIANDROSTERONE (M+H)+[-H2O] | 23637.00 | - | - | - | - | 11551.00 | |
EPIBRASSINOLIDE [ISTD] (M+H)+ | 3191283.00 | 2817075.78 | 3142896.00 | 3050803.00 | 2975453.38 | 2745069.14 | |
EPIBRASSINOLIDE [ISTD] (M+NA)+ | 1300059.43 | 1191138.11 | 1359821.00 | 1233597.00 | 1289741.00 | 1172792.71 | |
EPINEPHRINE (M+H)+ | 10166.00 | 11499.67 | - | - | 14286.00 | 9899.33 | |
EPINEPHRINE (M+H)+[-H2O] | 11649.67 | 7679.75 | - | - | 31216.50 | 18611.00 | |
ERUCIC ACID (M+NA)+ | - | 5108.00 | - | - | 1892.00 | 4946.67 | |
ESTRADIOL-17ALPHA (M+H)+[-H2O] | - | 7640.80 | - | - | 11946.00 | 11527.00 | |
ESTRONE (M+H)+ | 5097.83 | 4775.38 | 8866.00 | 9982.00 | 5521.86 | 5737.57 | |
ETHANOLAMINE PHOSPHATE (M+H)+ | 14190.00 | 11949.00 | - | - | 8774.00 | 10368.00 | |
ETHYLMALONIC ACID (M+NA)+ | - | 3062.50 | - | - | - | 3790.00 | |
FERULATE #2 (M+H)+ | - | 4714.50 | - | - | - | 5186.00 | |
FERULATE #2 (M+H)+[-H2O] | - | 3977.33 | - | - | - | 2592.00 | |
FLAVIN ADENINE DINUCLEOTIDE (M+H)+ | - | 6313.00 | - | - | 3189.50 | - | |
FLUCYTOSINE (M+H)+ | - | 100306.00 | - | - | 15499.00 | - | |
GALACTURONIC ACID (M+NA)+[-H2O] | - | 2551.00 | - | - | - | 2484.00 | |
GAMMA-BUTYROLACTONE (M+H)+ | 10130.67 | 11333.50 | - | - | - | - | |
GAMMA-LINOLENIC ACID (M+NA)+ | 25256.00 | 23876.25 | 31422.00 | 6032.00 | 23631.12 | 21653.83 | |
GLUCOSAMINIC ACID (M+NA)+ | - | - | - | - | - | 1750.00 | |
GLUCOSE (2M+NA)+ | 51129.86 | 84500.12 | 68818.00 | 47926.00 | 53666.86 | 70922.43 | |
GLUCOSE (M+NA)+ | 1415778.43 | 1293841.00 | 1386250.00 | 786072.00 | 1186746.50 | 1608369.86 | |
GLUCURONIC ACID (M+NA)+ | 167181.57 | 97590.86 | 49423.00 | 26795.00 | 136530.43 | 125350.50 | |
GLUTAMIC ACID (M+H)+ | 299224.14 | 460282.89 | 275585.00 | 383677.00 | 325042.50 | 563345.43 | |
GLUTAMIC ACID (M+H)+[-H2O] | 8215.00 | 9810.00 | - | - | 24143.33 | 11047.50 | |
GLUTAMINE (M+NA)+ | 29278.86 | 22945.33 | - | - | 38968.00 | 32785.20 | |
GLUTARIC ACID (M+NA)+ | 7862.33 | 14513.50 | - | - | - | 2795.50 | |
GLUTARYLCARNITINE (*) (M+H)+ | 13365.75 | 43638.00 | 2631.00 | 5774.00 | 22722.50 | 36268.60 | |
GLUTATHIONE OXIDIZED (M+H)+ | 19262.00 | 28939.88 | - | 5515.00 | 32197.00 | 24585.60 | |
GLUTATHIONE OXIDIZED (M+H2)+2 | 51310.00 | 62577.75 | - | - | 107858.67 | 63948.25 | |
GLYCEROL MYRISTATE (M+H)+[-H2O] | 6582.00 | 4129.25 | - | 7526.00 | 2708.00 | 3255.50 | |
GLYCEROL MYRISTATE (M+NA)+ | 14238.50 | 9587.00 | - | - | 9590.00 | 3624.00 | |
GLYCINE (M+H)+ | 3684.00 | 14882.00 | 1714.00 | - | - | 5698.00 | |
GLYCOCHOLIC ACID (2M+NA)+ | - | - | - | - | 2275.00 | - | |
GLYCOLITHOCHOLIC ACID (M+H)+[-H2O] | 2963.00 | - | - | - | - | - | |
GLYCOLITHOCHOLIC ACID (M+NA)+ | 4676.00 | 10502.25 | 7429.00 | - | 7799.50 | 10419.00 | |
GLYCOLITHOCHOLIC ACID (M+NA)+[-H2O] | - | 5569.00 | - | - | - | - | |
GUANIDINOACETIC ACID (M+H)+ | 642215.00 | 468802.50 | - | - | - | - | |
GUANINE (2M+NA)+ | - | - | - | - | - | 2673.00 | |
GUANINE (M+H)+ | 60987.00 | 65166.33 | - | 69325.00 | 31728.17 | 34776.00 | |
GUANINE (M+NA)+ | 32316.00 | 14449.00 | - | - | 18242.50 | - | |
GUANOSINE 5^-DIPHOSPHO-BETA-L-FUCOSE (M+NA)+ | 294915.50 | 419789.50 | - | - | 183199.00 | 146653.00 | |
GUANOSINE (M+H)+ | 303384.14 | 305684.11 | 140410.00 | 289095.00 | 185142.62 | 259813.57 | |
HEXANOYLCARNITINE (*) M+ | 16633.00 | - | - | - | 15838.00 | - | |
HOMOCYSTINE (M+H)+ | 3446.00 | 2290.50 | 2036.00 | 4111.00 | 3685.75 | - | |
HOMOGENTISIC ACID (M+H)+ | 125700.71 | 103725.33 | 104203.00 | 33202.00 | 165599.00 | 163551.71 | |
HOMOGENTISIC ACID (M+H)+[-H2O] | 2090.00 | - | - | - | 10084.00 | 29792.00 | |
HOMOSERINE (M+H)+ | 5147522.29 | 6820339.56 | 6713297.00 | 415753.00 | 4891959.50 | 5873206.29 | |
HOMOSERINE (M+NA)+ | 5573.00 | - | - | - | 4713.50 | - | |
HOMOVANILLIC ACID (M+H)+ | 20833.00 | - | - | - | 58143.00 | 19866.00 | |
HOMOVANILLIC ACID (M+NA)+ | - | 2265.33 | - | - | - | 2519.50 | |
HYPOXANTHINE (M+H)+ | 3389475.50 | 2674966.00 | 490554.00 | 5663813.00 | 2711249.25 | 3765636.86 | |
HYPOXANTHINE (M+NA)+ | 1043920.29 | 693282.12 | 116798.00 | 362219.00 | 886109.50 | 511886.43 | |
IBUPROFEN CARBOXYLIC ACID (M+H)+[-H2O] | 10137.40 | 9095.33 | - | 13231.00 | - | 1304.00 | |
IBUPROFEN CARBOXYLIC ACID (M+NA)+ | - | 1314.00 | - | - | 17362.00 | - | |
INDOLE-3-ACETALDEHYDE (M+H)+ | 296224.00 | 419758.12 | - | - | 183711.43 | 147761.00 | |
INOSINE 5^-PHOSPHATE (M+H)+ | 3295.00 | - | - | - | 13610.00 | - | |
INOSINE 5^-PHOSPHATE (M+NA)+ | - | - | - | - | 2814.00 | - | |
INOSINE (M+H)+ | 2611383.43 | 4413109.33 | 2690848.00 | 1863240.00 | 2353466.62 | 3330321.14 | |
INOSINE (M+NA)+ | 284377.80 | 189356.29 | - | 144252.00 | 157427.86 | 210713.60 | |
ISO-BUTYRYLCARNITINE (*) (M+H)+ | 333394.17 | 264291.50 | 138095.00 | 199492.00 | 263250.88 | 233778.00 | |
ISOLEUCINE (M+H)+ | 43114285.71 | 49200000.00 | 11800000.00 | 50700000.00 | 36557782.00 | 48371428.57 | |
ISOLEUCINE (M+NA)+ | 329977.29 | 390091.14 | 207474.00 | 469611.00 | 363265.71 | 401702.43 | |
ISOVALERYLCARNITINE (*) (M+H)+ | 119956.29 | 179570.89 | 35509.00 | 83513.00 | 112150.14 | 94166.43 | |
ITACONIC ACID (M+H)+[-H2O] | - | 1942.00 | - | - | - | - | |
KYNURENIC ACID (M+H)+ | - | 29035.00 | - | - | 32177.00 | 24986.00 | |
KYNURENINE (M+H)+ | 1320068.14 | 1612548.22 | 2783651.00 | 1307465.00 | 1023264.50 | 1214319.14 | |
KYNURENINE (M+NA)+ | 26445.40 | 29502.29 | 43706.00 | - | 18890.50 | 14697.00 | |
L-[15N]ANTHRANILIC ACID [ISTD] (M+H)+ | 7876.00 | 8546.00 | 8254.00 | - | 6950.00 | 6675.00 | |
L-ALLOTHREONINE (M+H)+[-H2O] | - | - | - | - | 2649.00 | - | |
LANOSTEROL (M+NA)+ | - | 1281.00 | - | - | - | - | |
L-ARGININE (M+H)+ | 15780.14 | 12496.12 | - | 9379.00 | 13500.62 | 16436.14 | |
L-ARGININE (M+NA)+ | 13971.00 | 13050.62 | 11849.00 | 12066.00 | 11012.62 | 15494.00 | |
LAUROYLCARNITINE (M+H)+ | 37036.14 | 67500.78 | 3386.00 | 109760.00 | 119035.43 | 91147.71 | |
LEUKOTRIENE B4 (M+H)+ | 39055.00 | 37626.60 | - | - | 28230.67 | 34012.00 | |
LEUKOTRIENE B4 (M+H)+[-H2O] | 247472.86 | 61421.00 | 36150.00 | 17508.00 | 31984.12 | 56906.29 | |
LEUKOTRIENE B4 (M+NA)+ | 235510.50 | 68048.56 | 31347.00 | 19112.00 | 43054.62 | 57803.00 | |
L-HISTIDINE (M+H)+ | 7298.33 | 8027.00 | 3072.00 | - | 7089.50 | 9896.33 | |
L-HISTIDINE (M+NA)+ | 6835.25 | 7658.67 | 9328.00 | - | 7418.80 | 5483.20 | |
L-HISTIDINOL (M+H)+ | 2569.00 | 3091.00 | - | - | 2883.50 | 5386.00 | |
L-HISTIDINOL (M+NA)+ | - | - | - | - | 2173.00 | - | |
LITHOCHOLIC ACID (M+NA)+ | - | - | 3013.00 | 1583.00 | - | 2929.00 | |
L-METHIONINE SULFOXIMINE (M+NA)+ | 795216.75 | 958399.80 | - | 484003.00 | 726269.80 | 542683.00 | |
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+ | 6417518.57 | 6244820.33 | 7334557.00 | 5921365.00 | 6325345.62 | 5969692.14 | |
LYSINE (M+H)+ | 80535.29 | 82132.22 | 32228.00 | 118663.00 | 58486.88 | 70875.43 | |
LYSINE (M+NA)+ | 18472.14 | 19039.33 | 7942.00 | 25689.00 | 13537.38 | 16672.29 | |
MALEIC ACID (M+H)+ | - | - | 2842.00 | - | - | - | |
MALIC ACID (M+NA)+ | 24337.00 | 19967.50 | - | 8971.00 | 28219.00 | 26535.00 | |
MANNITOL (M+H)+[-H2O] | 2714776.67 | 2999995.62 | 644295.00 | 1376449.00 | 2461166.71 | 3267648.57 | |
MANNITOL (M+NA)+ | 34382.43 | 16064.17 | - | 24053.00 | 18074.71 | 22927.57 | |
MELATONIN (M+NA)+ | 2421.00 | 1466.50 | 2053.00 | - | 2437.00 | 2394.00 | |
METHIONINE (M+H)+ | 3525578.43 | 4009255.88 | 2905429.00 | 4167328.00 | 2631218.12 | 3875528.71 | |
METHYL BETA-D-GALACTOSIDE (M+NA)+ | 24821.50 | 94866.83 | 476529.00 | 81398.00 | 41965.25 | 29725.86 | |
METHYL JASMONATE (M+H)+ | 20565.67 | 5742.50 | - | 19973.00 | 8070.50 | - | |
METHYL JASMONATE (M+NA)+ | 10255.67 | 8508.12 | 8569.00 | - | 8117.29 | 7268.25 | |
METHYLMALONIC ACID (M+NA)+ | 35814.50 | 7889.50 | - | - | - | - | |
MEVALONIC ACID (M+NA)+ | 37828.33 | - | 25273.00 | 17415.00 | 18402.00 | 16643.00 | |
M-HYDROXYMANDELIC ACID (M+H)+[-H2O] | - | 25797.50 | - | - | 10084.00 | 30396.00 | |
M-HYDROXYMANDELIC ACID (M+NA)+[-H2O] | - | - | - | 77066.00 | 57111.00 | 12716.00 | |
MIMOSINE (M+H)+ | 3723.50 | 1026.00 | - | - | 5355.00 | 4289.00 | |
MYRISTOYLCARNITINE (*) (M+H)+ | 11127.67 | 14734.00 | 5203.00 | 19468.00 | 21375.00 | 14208.67 | |
N-ACETYL-ASPARTIC ACID (M+NA)+ | 2637.00 | 6297.33 | 6208.00 | - | 2818.00 | 5683.67 | |
N-ACETYL-D-GLUCOSAMINE (M+H)+[-H2O] | 445705.29 | 73749.25 | - | 522512.00 | 28953.17 | 78559.67 | |
N-ACETYL-DL-METHIONINE (M+H)+ | 37326.86 | 48938.00 | 18327.00 | 64524.00 | 52230.14 | 53337.71 | |
N-ACETYL-DL-METHIONINE (M+H)+[-H2O] | 10655.20 | 13312.33 | - | - | 18936.00 | 7973.33 | |
N-ACETYL-DL-METHIONINE (M+NA)+ | 43340.00 | 51947.00 | 22261.00 | - | 49353.00 | 52201.33 | |
N-ACETYL-DL-SERINE (M+H)+[-H2O] | 388640.83 | 420429.75 | 290370.00 | 601584.00 | 408486.00 | 362619.00 | |
N-ACETYL-DL-SERINE (M+NA)+ | - | - | 8791.00 | 9886.00 | - | - | |
N-ACETYL-D-TRYPTOPHAN (M+H)+ | - | - | - | - | 5570.00 | - | |
N-ACETYL-GLUTAMIC ACID (M+H)+ | 3977.00 | 7544.00 | - | - | 2818.00 | 3808.50 | |
N-ACETYL-GLUTAMIC ACID (M+H)+[-H2O] | 4455.00 | - | - | - | - | - | |
N-ACETYL-GLUTAMIC ACID (M+NA)+ | 13877.67 | 10938.20 | - | - | 8810.00 | 10044.40 | |
N-ACETYLGLYCINE (M+NA)+ | - | - | - | 35524.00 | 3092.00 | 11474.00 | |
N-ACETYL-L-ALANINE (M+NA)+ | - | - | 1510.00 | 8491.00 | - | 2230.00 | |
N-ACETYL-L-LEUCINE (M+H)+ | 24241.14 | 27313.67 | - | 59548.00 | 25412.86 | 26879.86 | |
N-ACETYL-L-LEUCINE (M+NA)+ | 19125.00 | 23148.00 | - | - | 11483.00 | 8172.00 | |
N-ACETYL-L-PHENYLALANINE (M+H)+ | - | - | - | - | 7706.00 | 3637.00 | |
N-ACETYLNEURAMINIC ACID (M+H)+ | 2813.00 | 7119.75 | - | 2561.00 | 7604.67 | 17379.00 | |
N-ACETYLNEURAMINIC ACID (M+NA)+ | - | - | - | 6186.00 | - | - | |
N-ACETYLSEROTONIN (2M+NA)+ | 4228.00 | - | - | - | - | - | |
N-ACETYLSEROTONIN (M+H)+ | - | 3500.00 | - | - | 3636.33 | - | |
N-ACETYLSEROTONIN (M+NA)+ | - | - | - | - | 4814.00 | - | |
NAD (M+H)+ | - | 3776.50 | - | - | - | - | |
NAD (M+NA)+ | - | 2073.00 | - | - | - | - | |
N-ALPHA-ACETYL-L-LYSINE (M+H)+ | 4922.00 | 2483.00 | - | 1511.00 | - | - | |
N-AMIDINO-ASPARTIC ACID (M+H)+ | 5201059.83 | 4892765.38 | 3431728.00 | 4962171.00 | 3870312.12 | 4843002.86 | |
NAPROXEN (M+H)+ | - | - | - | - | - | 5456.50 | |
N-CYCLOHEXYLFORMAMIDE (M+H)+ | - | 12935.00 | - | - | - | - | |
N-FORMYLGLYCINE (M+H)+ | - | 11955.00 | - | - | - | - | |
NICOTINAMIDE (M+H)+ | 260194.75 | 140746.88 | 67465.00 | 228567.00 | 142062.75 | 176459.43 | |
NICOTINAMIDE MONONUCLEOTIDE (M+H)+ | 2905.50 | 8350.00 | 3248.00 | - | 1736.75 | - | |
NICOTINAMIDE MONONUCLEOTIDE (M+NA)+ | - | - | - | - | 2927.00 | - | |
NICOTINE (M+H)+ | - | - | - | - | 3607.50 | - | |
NICOTINIC ACID (M+H)+ | 14897.50 | 29204.00 | - | 11037.00 | 33430.17 | 37172.50 | |
N-METHYL-ASPARTIC ACID (M+NA)+ | 8943.00 | - | - | 3606.00 | 1761.00 | 4292.00 | |
N-METHYL-GLUTAMIC ACID (M+H)+[-H2O] | 37359.00 | 96784.00 | - | 27192.00 | 122797.00 | 67099.00 | |
N-METHYL-GLUTAMIC ACID (M+NA)+[-H2O] | - | - | 3340.00 | - | - | - | |
N-METHYLNICOTINIC ACID (2M+H)+ | - | 1945.75 | - | - | 1414.00 | 1284.00 | |
N-METHYLTRYPTAMINE (M+NA)+ | - | 89820.00 | - | - | 11704.00 | 1259.00 | |
N-OLEOYLGLYCINE (M+H)+ | - | 7574.67 | 8719.00 | - | 5390.67 | 7029.50 | |
N-OLEOYLGLYCINE (M+NA)+ | 2677.00 | 3437.00 | - | - | - | 1780.00 | |
NORADRENALINE (M+H)+ | - | - | - | - | 26237.00 | - | |
NORADRENALINE (M+H)+[-H2O] | 5845.57 | 4612.43 | 1657.00 | 17994.00 | 3538.40 | 3520.00 | |
N(PAI)-METHYL-L-HISTIDINE (M+H)+ | 4802.50 | 65320.00 | - | - | 8511.20 | 2371.50 | |
OCTACOSANOIC ACID (M+H)+ | - | 1237.00 | - | - | - | - | |
OLEAMIDE (M+H)+ | 43630.43 | 93212.56 | 130367.00 | 70624.00 | 59802.43 | 76411.71 | |
OLEAMIDE (M+NA)+ | 79983.00 | 103504.00 | 108703.00 | 12173.00 | 57114.50 | 50880.67 | |
OLEIC ACID (M+H)+ | 15009.40 | 18802.62 | 18582.00 | - | 22498.17 | 21555.17 | |
OLEIC ACID (M+NA)+ | 33513.00 | 34355.56 | 51459.00 | 22371.00 | 41870.38 | 29352.80 | |
OLEOYL-GLYCEROL (M+H)+ | 64448.43 | 53412.44 | 35572.00 | 51358.00 | 63238.25 | 72877.43 | |
OLEOYL-GLYCEROL (M+H)+[-H2O] | 46296.43 | 36021.89 | 27777.00 | 37804.00 | 42451.25 | 48367.14 | |
OLEOYL-GLYCEROL (M+NA)+ | 181523.00 | 130336.75 | 9990.00 | - | 10370.33 | 51164.40 | |
OMEGA-HYDROXYDODECANOIC ACID (M+H)+[-H2O] | 31681.00 | 20362.00 | - | - | 15280.00 | 11975.00 | |
OMEGA-HYDROXYDODECANOIC ACID (M+NA)+ | 18834.40 | 10467.33 | - | 9193.00 | 18243.00 | 51163.33 | |
OMEPRAZOLE (M+H)+ | - | - | - | - | - | 2154.00 | |
O-PHOSPHO-DL-SERINE (2M+H)+ | 4206.00 | 2688.50 | - | - | 5976.00 | 6684.00 | |
O-PHOSPHO-DL-SERINE (2M+NA)+ | - | 5187.50 | - | - | 7779.00 | 3291.00 | |
OPHTHALMIC ACID (M+H)+ | 119139.17 | 69207.50 | - | 54161.00 | 46640.00 | 59767.50 | |
ORNITHINE (M+H)+ | 39200.86 | 47112.44 | 77824.00 | 40690.00 | 31313.14 | 43335.71 | |
OROTIC ACID (M+H)+ | - | - | - | - | - | 1475.00 | |
O-SUCCINYL-L-HOMOSERINE (M+H)+ | - | - | - | - | - | 1617.00 | |
PANTOTHENIC ACID (M+H)+ | 581703.86 | 697493.44 | 334326.00 | 634230.00 | 589751.88 | 640994.57 | |
PANTOTHENIC ACID (M+NA)+ | 328684.00 | 540349.22 | 161751.00 | 390802.00 | 384943.00 | 431722.29 | |
PHENETHYLAMINE (M+H)+ | 3931.00 | 3461.50 | - | - | 6616.33 | 11497.33 | |
PHENYLACETIC ACID (M+H)+ | 2697542.50 | 1282601.00 | - | - | 1737634.17 | 2277005.83 | |
PHENYLALANINE (M+H)+ | 68448.14 | 68747.00 | 135852.00 | - | 132326.00 | 62701.00 | |
PHENYLALANINE (M+NA)+ | 2354.00 | - | - | - | 8919.00 | - | |
PIMELIC ACID (M+H)+[-H2O] | - | 4476.00 | - | - | - | - | |
PIMELIC ACID (M+NA)+ | - | - | 13476.00 | - | - | 5314.00 | |
PIPECOLIC ACID (M+H)+ | - | - | - | - | 4793.00 | 1713.00 | |
PIPECOLIC ACID (M+NA)+ | - | - | - | - | 371086.00 | - | |
PREGNENOLONE (M+H)+[-H2O] | - | 3026.50 | - | - | - | 2550.00 | |
PREGNENOLONE (M+NA)+ | - | 4537.00 | - | - | - | - | |
PROCOLLAGEN 5-HYDROXY-L-LYSINE (M+H)+ | 6598.00 | - | 4702.00 | - | 7932.50 | - | |
PROCOLLAGEN 5-HYDROXY-L-LYSINE (M+NA)+ | - | 1747.00 | - | - | - | - | |
PROGESTERONE (M+H)+ | - | - | - | - | 4064.00 | - | |
PROLINE (M+H)+ | 459587.50 | 209956.75 | 173222.00 | - | 273980.29 | 349725.29 | |
PROLINE (M+NA)+ | - | - | - | - | 2959.00 | - | |
PROMETRYN (M+H)+ | - | 24537.00 | - | - | - | - | |
PROPIONYLCARNITINE (*) (M+H)+ | 433662.57 | 318788.25 | 256845.00 | 264853.00 | 482193.88 | 316334.14 | |
PROSTAGLANDIN E2 (M+H)+[-H2O] | - | 1179.00 | - | - | - | 75089.00 | |
PROSTAGLANDIN E2 (M+NA)+ | - | - | - | - | - | 1779.00 | |
PROTOPORPHYRIN (M+H)+ | 14018.00 | 24400.43 | 20237.00 | - | 25872.86 | 12425.33 | |
PURINE (M+H)+ | - | - | - | - | 8934.00 | - | |
PYRIDOXAL #2 (M+H)+ | 35748.00 | 40604.00 | - | - | 23297.00 | 12606.00 | |
QUINIC ACID (M+NA)+ | - | - | - | - | - | 1436.00 | |
RAFFINOSE (M+K)+ | 7601.00 | - | - | - | - | - | |
RAFFINOSE (M+NA)+ | 65009.50 | 21431.78 | 9348.00 | 11447.00 | 37066.43 | 28432.71 | |
RETINOIC ACID (M+H)+ | - | 11471.00 | - | - | - | - | |
RETINOIC ACID (M+NA)+ | 6353.00 | 6508.00 | - | - | 1195.00 | 5090.00 | |
RIBITOL (M+NA)+ | - | - | - | - | 4039.00 | - | |
RIBOSE (M+NA)+ | 97022.00 | 75965.80 | 128846.00 | - | 74873.00 | 67931.67 | |
S-ADENOSYL-L-HOMOCYSTEINE (M+H)+ | 8475.00 | 6687.50 | - | 6110.00 | 3095.00 | 1638.00 | |
SALSOLINOL (M+H)+ | 2335.50 | 4802.25 | - | - | 4949.00 | 4328.50 | |
SARCOSINE (M+H)+ | 25976.00 | 2434.00 | - | - | 10804.67 | 18816.67 | |
SEBACIC ACID (M+H)+[-H2O] | 1908.00 | - | - | - | - | - | |
SEBACIC ACID (M+NA)+ | 31583.00 | 20068.00 | - | 29300.00 | 4643.00 | 21151.50 | |
SELENOCYSTAMINE (M+H)+ | - | - | - | - | - | 2775.00 | |
SELENOMETHIONINE (M+H)+ | 3656.50 | 3461.67 | - | - | 3052.50 | - | |
SERINE (M+H)+ | 13189.00 | 21798.25 | - | - | 27988.00 | 15755.50 | |
SEROTONIN (M+H)+ | 218705.00 | 298010.12 | - | - | 349770.50 | 153060.00 | |
SEROTONIN (M+NA)+ | 1877.00 | - | - | - | 18109.00 | - | |
SHIKIMIC ACID (M+H)+[-H2O] | 44262.00 | 27863.00 | - | - | 24486.00 | - | |
SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+ | 8561.25 | 11296.00 | 11244.00 | 20027.00 | 12986.00 | 13794.67 | |
SPERMIDINE (M+H)+ | 191607.00 | 104803.44 | 93623.00 | 104047.00 | 158743.33 | 51866.29 | |
SPERMIDINE (M+NA)+ | 1333.00 | - | - | - | - | - | |
SPERMINE (M+H)+ | 21481.14 | 26172.89 | 10675.00 | 33781.00 | 34622.50 | 9425.14 | |
SQUALENE (M+K)+ | - | - | - | - | 71035.00 | - | |
STACHYOSE (M+NA)+ | 6636.83 | 9777.78 | - | 1598.00 | 12945.60 | 8708.50 | |
STEAROYLCARNITINE (*) (M+H)+ | 14318.50 | 23296.33 | 9237.00 | - | 11080.00 | 28888.00 | |
SUBERIC ACID (M+NA)+ | - | 7145.00 | - | - | 4585.00 | 5306.00 | |
SUCROSE (M+NA)+ | 177318.43 | 117768.75 | 27413.00 | 31083.00 | 145932.25 | 136179.67 | |
SULFADIMETHOXINE (M+H)+ | 5497.17 | 10266.78 | 6275.00 | 2496.00 | 10001.62 | 9902.86 | |
SULFADIMETHOXINE (M+NA)+ | - | 5027.00 | - | - | 6380.00 | - | |
TAURINE (M+NA)+ | - | - | - | - | 6648.00 | - | |
TAUROCHENODEOXYCHOLIC ACID (M+H)+ | - | - | - | - | - | 22078.00 | |
TAUROCHENODEOXYCHOLIC ACID (M+H)+[-H2O] | 45858.00 | 33085.20 | - | - | 39114.00 | 39147.67 | |
TAUROCHENODEOXYCHOLIC ACID (M+NA)+ | 79311.43 | 122962.11 | 37824.00 | 39534.00 | 107790.43 | 108987.29 | |
TAUROCHOLIC ACID (M+H)+[-H2O] | 8119.00 | 13770.00 | - | 41873.00 | 6544.00 | 6266.00 | |
TAUROCHOLIC ACID (M+NA)+ | - | 5245.00 | - | - | - | 4382.00 | |
TAUROLITHOCHOLIC ACID (M+H)+ | 10077.00 | 19326.67 | - | - | 15278.00 | 8702.00 | |
TAUROLITHOCHOLIC ACID (M+H)+[-H2O] | - | 32967.00 | 27812.00 | - | 7378.00 | 18250.50 | |
TAUROLITHOCHOLIC ACID (M+NA)+ | 3486.00 | 16800.00 | - | 7302.00 | - | - | |
TESTOSTERONE (M+NA)+ | - | 2530.00 | - | - | - | - | |
TETRADECENOYLCARNITINE (*) M+ | - | - | - | - | 6159.00 | - | |
THEOBROMINE (M+H)+ | - | 4279.00 | - | - | - | - | |
THEOBROMINE (M+NA)+ | 3709.50 | 3067.00 | - | - | - | 4143.00 | |
THEOPHYLLINE (M+NA)+ | - | 2265.00 | - | - | 9164.00 | - | |
THIAMIN MONOPHOSPHATE (M+H)+ | - | - | - | - | - | 1230.00 | |
THREONINE (M+H)+[-H2O] | 40549.17 | 41576.62 | 14602.00 | 43492.00 | 42393.33 | 49051.00 | |
THROMBOXANE B2 (M+NA)+ | 65109.00 | 59915.00 | - | - | 21635.50 | 100236.00 | |
THYMIDINE (M+H)+ | - | 3403.33 | - | - | 3491.00 | 4916.00 | |
THYMIDINE (M+NA)+ | 14012.29 | 18286.89 | 3489.00 | 14722.00 | 16119.43 | 18131.43 | |
TRANS-4-HYDROXYPROLINE (M+H)+ | 228951.50 | 214305.83 | - | - | 223954.50 | 215196.00 | |
TRANS-ACONITIC ACID (M+NA)+ | - | 13644.00 | - | - | 8215.00 | 10301.00 | |
TRIMETHYLAMINE (M+H)+ | - | 7632.00 | - | - | - | - | |
TRYPTOPHANAMIDE (M+H)+ | 1714.00 | 2782.00 | - | - | 5645.00 | 4709.00 | |
TRYPTOPHANAMIDE (M+NA)+ | - | 3098.00 | - | - | - | 3845.00 | |
TRYPTOPHAN (M+H)+ | 14142857.14 | 20001879.00 | 7837924.00 | 16100000.00 | 19785714.29 | 20957142.86 | |
TRYPTOPHAN (M+NA)+ | 329694.57 | 406421.33 | 207782.00 | 368208.00 | 392847.43 | 417567.86 | |
TYROSINE (M+H)+ | 8497140.43 | 8938820.67 | 4869407.00 | 6908365.00 | 6152814.50 | 9637184.43 | |
TYROSINE (M+NA)+ | 141274.00 | 254327.78 | 71666.00 | 142498.00 | 127289.50 | 221208.29 | |
URACIL 5-CARBOXYLIC ACID (M+H)+ | - | 3187.00 | - | - | - | - | |
URACIL (M+H)+ | 33433.50 | - | - | - | 14893.00 | - | |
URIC ACID (M+H)+ | 66623.00 | 81693.29 | - | - | 133618.17 | 90618.00 | |
URIDINE-5-MONOPHOSPHATE #2 (M+NA)+ | - | - | - | - | 3738.00 | - | |
URIDINE-5-MONOPHOSPHATE (M+H)+ | 36755.25 | 37017.00 | - | - | 41803.00 | 38975.00 | |
URIDINE-5-MONOPHOSPHATE (M+NA)+ | - | 1303.00 | - | - | 3738.00 | - | |
URIDINE (M+H)+ | 40367.00 | 20950.12 | - | 36292.00 | 24707.12 | 25310.43 | |
URIDINE (M+NA)+ | 32861.86 | 28403.22 | 13353.00 | 28339.00 | 34029.29 | 33759.14 | |
UROCANIC ACID (M+H)+ | 155304.00 | 32096.00 | 55389.00 | 115028.00 | 106869.00 | 38949.00 | |
VALINE (M+H)+ | 12194.00 | - | - | - | - | - | |
VALINE (M+NA)+ | 131475.71 | 232638.00 | 76953.00 | 179735.00 | 183043.50 | 200289.71 | |
XANTHINE (M+H)+ | 642409.25 | 642112.50 | 638224.00 | 693824.00 | 415327.80 | 586059.00 | |
XANTHOSINE (M+H)+ | 11320.14 | 7640.75 | 3178.00 | 9685.00 | 13818.20 | 7515.00 | |
XANTHOSINE (M+NA)+ | 11329.00 | 4061.50 | - | - | 5915.00 | 5860.00 | |
XANTHURENIC ACID (M+H)+ | 102195.00 | 132231.00 | - | - | - | 14968.00 | |
ZEATIN [ISTD] (M+H)+ | 1063000.14 | 1046742.00 | 1093146.00 | 1019085.00 | 1123233.88 | 1068708.57 |
Factors:
F1 | Age Category:Old | Sex of individual:Female |
F2 | Age Category:Old | Sex of individual:Male |
F3 | Age Category:Old | Sex of individual:Young |
F4 | Age Category:Unknown | Sex of individual:Male |
F5 | Age Category:Young | Sex of individual:Female |
F6 | Age Category:Young | Sex of individual:Male |