Data for ST000992   

(Analysis AN001618): Average values per metabolite and experimental factor (Units:Counts)

Metabolite structureAll dataF1F2F3F4F5F6
1,3,7-TRIMETHYLURIC ACID (M-H)-
26373.82 39717.67 24784.40 18733.88 32632.67 63169.00
16:0 LYSO PC (M+Cl)-
8870.57 7029.00 13988.44 14707.50 9092.67 21657.00
16:0 LYSO PC (M+HCOO)-
187743.00 153058.67 267108.77 297578.20 177701.00 106025.00
1-METHYLXANTHINE (M-H)-
83548.77 130590.33 107443.42 118573.60 108405.67 98366.00
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-
489636.17 414695.00 494317.77 641837.10 756479.67 201567.00
3-(4-HYDROXYPHENYL)LACTATE (M-H)-
87140.29 81748.33 105778.83 96132.60 165598.00 43227.00
3-METHYLXANTHINE (M-H)-
27697.08 14351.67 74361.73 186744.70 118365.00 48939.00
4-ACETAMINOPHEN SULFATE (M-H)-
3355970.00 821608.50 1770617.67 12294.00 2646652.00 -
4-NITROPHENOL (M-H)-
12243.38 15122.00 13962.41 12970.29 14956.00 9655.00
4-PYRIDOXATE (M-H)-
69090.92 27611.67 37333.46 34586.56 36103.00 22700.00
ADIPIC ACID (M-H)-
23800.23 12486.33 20590.98 20950.50 22505.00 9091.00
BENZOATE (M-H)-
5973.93 6908.00 6904.85 4896.10 6972.00 3902.00
BILIVERDIN (M-H)-
4538.86 4849.00 5085.32 3628.67 4764.67 6176.00
CHOLATE (M+Cl)-
5191.40 4075.00 11012.04 9599.00 17835.00 -
CIS-7,10,13,16-DOCOSATETRAENOIC ACID (M-H)-
30950.29 36659.33 25828.02 21188.10 20025.33 19246.00
CIS-ACONITATE (M-H)-
405182.71 396900.00 405396.71 392676.00 441228.67 -
CITRULLINE (M-H)-
31514.92 28713.00 27442.77 27523.00 36420.00 22857.00
CORTISOL (M+Cl)-
35235.23 36298.67 35462.34 33193.90 46694.33 16296.00
CORTISOL (M+HCOO)-
118919.14 136336.33 125639.12 122435.80 163109.33 56719.00
CORTISONE (M+Cl)-
11036.54 13483.33 12691.85 13360.70 13363.33 7820.00
CORTISONE (M+HCOO)-
20932.79 26684.33 24695.12 27205.90 28603.33 17017.00
DEHYDROASCORBATE (M-H)-
328311.64 359446.00 293665.79 236518.29 350202.33 278508.00
DEOXYCHOLIC ACID (M+Cl)-
4403.60 2254.00 5450.15 2675.20 4615.67 1182.00
EPIBRASSINOLIDE [ISTD] (M+HCOO)-
4993428.86 5143268.00 5152671.96 5062870.40 5343657.67 3840992.00
GIBBERELLIC ACID [ISTD] (2M-H)-
244810.50 319848.00 265681.94 252647.20 308415.67 175910.00
GIBBERELLIC ACID [ISTD] (M-H)-
1862429.29 2148170.33 1932751.35 1897439.60 2035548.67 1578580.00
GLUTARATE (M-H)-
15973.30 - 18190.05 9273.00 10514.00 -
GLYCOCHOLATE (M-H)-
36319.09 26677.67 65870.44 64441.00 16625.33 12612.00
GLYCOLITHOCHOLATE (M-H)-
6858.09 7555.33 3370.07 2035.40 3029.67 6829.00
GULONO-1,4-LACTONE (M-H)-
31904.21 40676.00 32118.67 26561.10 40042.67 20011.00
HIPPURATE (M-H)-
707449.85 550995.33 595374.35 560387.30 1049604.33 867485.00
HYODEOXYCHOLATE (M-H)-
629010.21 439369.67 697530.58 765876.20 585670.00 958442.00
INOSINE 5^-DIPHOSPHATE (M-H)-
46898.09 55374.00 50546.86 58108.29 38487.00 45630.00
INOSINE (M-H)-
98958.14 54169.50 39417.10 26826.60 31099.00 5482.00
ISOCITRATE (M-H)-
6930212.71 7296746.00 6897831.12 6043949.70 7040261.33 6381691.00
ISOLEUCINE (M-H)-
156927.75 228308.67 186196.48 149939.80 155269.67 218542.00
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-
51164.14 50757.67 51610.51 74137.00 51934.00 23699.00
LEUCINE (M-H)-
157088.75 226045.33 190033.40 150151.60 147870.67 218753.00
L-HISTIDINE (M-H)-
73251.15 74824.33 73472.00 69499.00 88807.33 57744.00
LINOLEATE (M-H)-
726332.36 781448.00 566903.46 540266.90 552302.00 555076.00
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-
90232.86 99886.67 93038.77 93431.20 101353.00 75688.00
MALATE (M-H)-
171958.92 146289.67 170620.37 156722.40 151458.00 137778.00
MANDELIC ACID (M-H)-
21145.33 7488.67 8674.87 14467.44 15063.67 4047.00
METHYL BETA-D-GALACTOSIDE (M+Cl)-
123861.00 69253.00 82520.02 51649.20 105701.33 148598.00
METHYLMALONATE (M-H)-
67360.00 280682.00 60294.60 62762.80 71426.33 60979.00
N-ACETYL-D-GLUCOSAMINE (M+Cl)-
17395.20 21186.00 22629.88 23543.67 - -
N-ACETYL-L-ALANINE (M-H)-
99796.14 97975.67 95577.36 100003.50 125322.00 78301.00
ORNITHINE (M-H)-
16257.57 11723.67 15598.81 15529.33 11483.00 10089.00
PALMITATE (M-H)-
338387.93 352962.33 256455.08 243625.30 248924.00 217942.00
PANTOTHENATE (M-H)-
23455.36 19202.00 18851.25 25178.70 21193.00 13442.00
PHENYLALANINE (M-H)-
524505.14 701742.67 588477.15 543649.30 870494.33 470943.00
PURINE (M-H)-
39854.00 87056.00 89822.21 81439.67 57729.00 88052.00
(S)-3-METHYL-2-OXOPENTANOATE (M-H)-
974109.79 1257116.00 1229199.19 1223039.10 1633933.67 968508.00
SALICYLATE (M-H)-
928845.00 1819997.67 257785.52 39421.30 155373.33 35671.00
SEBACIC ACID (M-H)-
30172.43 23270.00 29108.52 27557.50 28042.00 23774.00
STEARATE (M-H)-
189132.29 191545.00 162425.08 225898.20 127231.33 129117.00
SUBERIC ACID (M-H)-
27397.21 25589.00 28931.58 28635.30 24172.33 23123.00
THEOPHYLLINE (M-H)-
386681.85 447296.67 384982.29 338048.11 384586.67 676833.00
TRYPTOPHAN (M-H)-
664187.93 707183.67 772436.29 730830.40 1094827.33 643468.00
TYROSINE (M-H)-
235947.69 257078.67 232977.93 201112.00 324223.67 208814.00
URIDINE (M+Cl)-
890499.07 1169223.33 951814.10 813981.50 1361913.67 543129.00
URIDINE (M-H)-
134332.36 157414.33 134570.17 115309.70 171797.33 80664.00
URSODIOL (M-H)-
91302.83 68202.00 79299.42 65180.75 140844.50 43016.00
URSODIOL (M+HCOO)-
22553.69 18218.67 74057.02 34926.30 52179.33 4916.00
XANTHINE (M-H)-
52495.07 60326.00 53603.62 45623.80 93389.67 34202.00

Factors:

F1Gender:Female | Metabolic syndrome:No | Smoker:No
F2Gender:Female | Metabolic syndrome:Yes | Smoker:No
F3Gender:Male | Metabolic syndrome:No | Smoker:No
F4Gender:Male | Metabolic syndrome:No | Smoker:Yes
F5Gender:Male | Metabolic syndrome:Yes | Smoker:No
F6Gender:Male | Metabolic syndrome:Yes | Smoker:Yes
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