Data for ST000724   

(Analysis AN001135): Average values per metabolite and experimental factor (Units:Peak area)

Metabolite structureAll dataF1F2F3F4F5F6
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:

F1Age Category:Old | Sex of individual:Female
F2Age Category:Old | Sex of individual:Male
F3Age Category:Old | Sex of individual:Young
F4Age Category:Unknown | Sex of individual:Male
F5Age Category:Young | Sex of individual:Female
F6Age Category:Young | Sex of individual:Male
  logo