Data for ST001876   

(Analysis AN003038): Average values per metabolite and experimental factor (Units:peak area)

Metabolite structureAll dataF1F2F3F4F5F6
1,3-Diphenylguanidine
1672.80 2080.50 2110.00 2166.00 2633.50 1932.17
17beta-Trenbolone
3507526.83 3546955.33 3472938.00 9304.33 10269.67 10271.83
18:1(2S-OH) Ceramide
136892.33 139992.67 144999.50 4192.33 3979.50 3895.67
1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID
62567.00 65754.33 60291.83 96604.67 92508.33 94167.00
1-Dodecyl-2-pyrrolidinone
835.00 653.83 268.00 6.00 253.33 337.67
1-heptadecanoyl-2-hydroxy-sn-glycero-3-phosphocholine
57524.17 55862.00 54598.00 58450.00 65059.67 61823.00
1H-indole-3-carboxylic acid
1485.00 1827.17 2070.33 1348.83 1755.17 1685.50
1-Methyladenosine
18625.17 19765.67 20164.00 18934.50 18192.17 17541.50
1-Methylnicotinamide
969.67 1168.67 909.83 52.33 125.33 89.17
1-palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine
135143.50 135037.83 133457.33 76996.50 79128.00 75291.67
1-pentadecanoyl-2-hydroxy-sn-glycero-3-phosphocholine
451118.00 431655.83 437357.17 663296.50 642038.17 610429.17
1-Stearoyl-sn-glycero-3-phosphocholine
5667029.83 5736209.83 5719117.17 12364706.17 12263835.67 12399824.17
2,2^-(Tetradecylimino)diethanol
104723.83 102702.17 99219.67 124207.17 127814.17 118553.33
[2,3-di(heptadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl...
12510.00 12374.33 13113.00 1136045.17 1130889.17 1132887.50
2,8-Quinolinediol
24563.17 26226.83 26150.33 817.50 1080.00 1018.83
2,8-Quinolinediol; AIF; CE30; CorrDec
605525.17 612092.17 609623.00 1999.83 1699.33 1589.17
2-acetoxy-4-pentadecylbenzoic acid
14748.17 14926.67 14828.50 14696.50 14118.00 13666.67
2-Acetylpyrazine
65883.67 63944.50 66982.83 385.00 662.50 265.50
2-Aminoacetophenone
12416.83 13403.17 13365.33 242.50 204.00 248.00
2-Aminocaprylic acid; AIF; CE10; MS2Dec
2210.67 2060.17 2160.17 47003.33 46472.50 45938.50
2-Aminocaprylic acid; LC-tDDA; CE30
2210.67 2060.17 2160.17 47501.50 46481.33 45878.17
2-Aminoethanethiol
- - - 6.00 - 104.50
2-Benzoxazolinone
2369.83 2330.50 2258.83 406.25 357.80 199.00
2-ETHYL-3-HYDROXY-4H-PYRAN-4-ONE
1280.17 1205.00 669.33 443.33 400.60 195.25
2-Furoylglycine
140.00 256.40 217.50 - - 6.00
2-Hydroxybenzonitrile
437.33 401.00 530.83 60191.17 61115.17 49043.67
2-Hydroxycinnamic acid, predominantly trans
44304.17 44367.33 45196.17 95082.33 92915.83 93658.83
2-Hydroxyisobutyric acid
4634.33 4261.33 4043.00 2802.00 2544.83 3621.33
2-Hydroxyquinoline
21200.33 21656.83 20272.67 6548.33 7822.33 7758.67
2-Methylpyrrolidine
14140.50 12889.00 15626.00 15371.17 13451.83 16955.33
2-Naphthylamine
6732.17 7269.83 6844.67 362.50 478.67 275.60
2-O-Methyladenosine
4204.83 4937.17 5799.17 16755.83 6368.17 25961.83
2-Oxindole
286.50 172.00 112.25 94.67 123.00 211.60
2-Oxindole; LC-tDDA; CE20
15852.00 16255.00 16160.67 5574.50 5543.67 6008.17
2-Oxindole; LC-tDDA; CE30
163.00 285.20 169.60 201.00 331.00 285.75
2-PHENYLACETAMIDE
8167.67 7716.83 5547.33 34231.33 33577.33 31210.33
2-Piperidone
23055.33 22181.33 23201.17 1428.50 1935.67 1650.00
2-Pyrrolidinone; AIF; CE10; CorrDec
5719.00 6677.67 8350.67 2633.33 3229.33 3198.17
2-Pyrrolidinone; AIF; CE30; MS2Dec
35949.00 34198.67 34351.17 2597.33 2779.50 2534.67
2-((R)-4-((3R,5R,6S,7R,8S,9S,10R,13R,14S,17R)-3,6,7-trihydro...
1512.33 944.00 1418.50 117524.67 116137.33 121422.67
2-((R)-4-((3R,5S,7S,8R,9S,10S,12R,13R,14S,17R)-3,7,12-trihyd...
19543.67 28617.00 19373.33 1095264.83 1292755.50 1313504.83
(2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8aR,9R,12aS,14bR)-9-hydr...
261257.83 260140.33 260918.50 1532.50 1361.33 1078.17
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-4-oxo-2-pheny...
1347.17 1195.67 1315.83 2630.17 2679.17 2893.83
3-Aminophenol; LC-tDDA; CE10
4951.83 5072.50 3443.17 2843.67 5327.50 2956.50
3-AMINOSALICYLIC ACID
43765.17 41254.50 45840.50 343.50 677.33 1183.33
3-Formylindole
16082.17 15884.33 15541.17 145558.50 143333.00 144563.33
3?-Hydroxy-12 Ketolithocholic Acid
5553432.50 5555118.83 5611232.83 10785.00 10824.00 10765.17
3-HYDROXY-2-METHYL-4-PYRONE
3472.00 3444.00 2859.67 1353.17 2198.00 2723.33
3?-Hydroxy-7 Ketolithocholic Acid
219929.17 227448.83 222303.67 19250.33 20764.33 21061.67
3-Hydroxyanthranilic acid
1238.17 1211.00 1085.50 - 375.60 214.00
3-HYDROXYINDOLE
107.00 44.80 51.33 1428.83 644.67 697.33
3-Ketocholanic Acid
51636.33 51283.33 50501.67 521.83 574.60 572.60
3-Methyl-L-histidine
4342.83 4460.33 3918.67 1873.33 1888.67 1983.67
4,6-Di-tert-butyl-m-cresol
4430.67 4831.00 5188.67 3222.00 873.50 832.67
4-Acetamidobutanoic acid; LC-tDDA; CE30
18317.67 18543.50 17314.83 1585.67 1856.00 2398.00
4-AMINOBENZOIC ACID
53893.17 55171.83 54898.00 19317.00 21517.67 21126.17
4-aminobutyric acid betaine
183169.67 180471.00 184313.00 4659.00 4555.50 4287.33
4-Aminohippuric acid; AIF; CE30; MS2Dec
1014.83 1628.50 647.33 2805.33 3273.83 3412.00
4-aminovaleric acid betaine
451767.00 431800.83 423320.17 73574.17 71942.67 78952.83
4-Cholesten-3-one
389250.50 389138.33 407792.33 557.67 462.17 586.83
4-(Dimethylamino)phenylthiocyanate
23716.17 24910.00 25445.00 50301.50 51413.17 46894.67
4-GUANIDINOBUTANOIC ACID
11751.17 8723.67 9562.50 76254.83 82821.50 79579.50
4-Hexylresorcinol
7210.50 8253.83 8462.17 69152.83 15744.00 81808.83
4-Hydroxy-6-methyl-2-pyrone
15570.00 13355.00 12491.17 8037.83 8826.67 15085.83
4-Hydroxybenzoylcholine
25502.17 21960.50 23862.50 29033.67 44773.83 49294.17
4-Hydroxyhippuric acid
3543.17 4466.00 3723.50 166.33 - 197.00
4-Hydroxyquinoline
270.20 426.17 255.00 675.67 932.33 740.33
4-Methyl-5-thiazoleethanol
122367.00 118836.00 120162.17 8904.33 8967.17 8947.17
4-Nonylphenol
1644.83 1409.33 1675.33 31812.80 178.17 118.33
4-PYRIDOXIC ACID
93038.50 91219.83 90196.67 95257.00 91965.83 94905.00
4-QUINOLINECARBOXYLIC ACID
4146.33 4566.50 4368.17 260.17 218.00 172.33
(4R)-4-((3R,5R,6S,7R,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10...
585769.67 595221.83 583221.83 239751.33 240818.67 241735.17
(4R)-4-((3R,5S,6S,7R,8R,9S,10R,12S,13R,17R)-3,6,7,12-tetrahy...
47218.83 46961.83 48023.67 528.00 666.50 404.67
(4R)-4-((3R,5S,7S,8R,9S,10S,12R,13R,17R)-3,7,12-trihydroxy-1...
27464.33 26350.17 26437.83 1026.17 2908.50 2089.33
(4R)-4-((3S,5S,7S,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-di...
384870.33 369995.83 383243.33 452.67 565.60 558.83
5,6-Benzoflavone
332.67 247.50 27.00 247.00 - 355.50
5-Aminovaleric acid
859253.67 900571.00 944224.00 257357.50 274088.67 273404.83
5?-CHOLANIC ACID-3?_ 6?_7?-TRIOL
71370.33 69849.33 69216.50 98.50 308.25 -
5-HYDROXYINDOLE
73248.17 74310.00 73690.67 3112.67 3006.50 3179.33
5-HYDROXYINDOLEACETATE
394574.00 395822.67 392298.50 630.00 782.33 835.33
5-Hydroxyindoleacetic acid
3184.17 3132.50 3536.00 194691.33 195513.17 191158.67
5-Hydroxyindoleacetic acid; LC-tDDA; CE10
826641.50 860947.33 859685.83 2290.17 2729.67 3166.83
5-OHMe-Ur
24152.17 26972.50 22005.67 48220.00 44154.50 45072.17
5-OXO-D-PROLINE
550.00 86.17 615.00 8321.17 7834.67 7879.50
5-OXO-L-PROLINE
553.67 376.00 480.50 2724.67 2150.67 2248.50
5-S-Methylthioadenosine; LC-tDDA; CE10
1428.83 1165.33 1257.00 12047.83 4199.00 8520.00
5-S-Methylthioadenosine; LC-tDDA; CE30
16128.17 13717.67 12562.50 75227.50 92169.50 88002.33
5-S-Methylthioadenosine; LC-tDDA; CE40
15905.17 13477.00 12863.83 75562.33 92169.50 88709.33
5-VALEROLACTONE
182160.00 182907.83 179895.83 1900.17 2220.33 1395.00
6-Ethoxy-2,3,4-trimethyl-1,2,3,4-tetrahydroquinoline
9815.50 10111.83 9487.67 2135.83 2156.33 2005.83
6-(gamma,gamma-Dimethylallylamino)purine riboside
44649.83 41589.83 43696.33 299535.33 300629.67 300427.50
7-Diethylamino-4-methylcoumarin
57881.50 58478.83 56943.33 199.33 228.00 428.00
7-Oxocholesterol
57999.67 57663.00 60295.17 19573.17 17387.00 21040.67
8-Hydroxyquinoline
99604.50 98606.83 99393.67 195.40 701.60 721.33
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyace...
10375.50 6191.50 7330.33 101477.50 97436.17 99284.17
9-OH-Risperidone
4602.83 2577.67 3085.50 170.67 582.20 321.00
Acetaminophen
7843.33 8345.83 8140.83 1286.17 1431.67 1497.67
ACETYL-CARNITINE
41455.17 41354.67 38200.50 26906.00 32393.00 31811.67
Acetyl tributyl citrate
27070.67 27745.67 32354.33 39365.83 31909.17 32881.00
ACRYLAMIDE
1142.00 866.20 1180.67 5763.67 6195.67 6124.33
Adenine
71435.00 70266.50 71383.17 180.00 132.33 173.00
Adenosine
86865.33 86511.67 88989.83 253.17 673.67 144.33
Adenosine monophosphate (AMP)
1546.67 1582.33 1697.33 5260.83 2963.67 2913.33
Adipoyl-carnitine; LC-tDDA; CE20
29580.67 35334.17 38610.33 3511377.33 3442195.00 3361928.83
Adipoyl-carnitine; LC-tDDA; CE30
6386.00 9573.17 10399.50 19249.50 22772.17 6925.33
Adipoyl-carnitine; LC-tDDA; CE40
11334.33 7501.83 11433.17 79580.00 81343.33 80201.83
Ala-Leu
43164.00 47179.83 45023.17 1222.33 659.67 863.83
Alanine betaine
276917.50 281605.67 283493.50 1758.83 1931.33 1841.83
Alanyl-Leucine; AIF; CE10; MS2Dec
87519.83 91450.83 87649.17 40284.50 36895.67 39887.33
Alliin; LC-tDDA; CE20
2113.33 1886.33 3042.00 109.00 - 131.33
Aloe-emodin
- - - - 6.00 -
alpha-Hederin
217.00 357.50 523.00 31.00 16.00 481.00
ALPHA-N-ACETYL-GLUTAMINE
18893.50 20478.50 19033.33 20964.33 21662.17 23454.50
alpha-TOCHOPHERYL ACETATE
47244.67 45663.17 47542.50 - - 256.00
AM580
48112.33 45215.33 44451.17 213.00 25.00 255.00
Amphetamine
21393.33 21464.67 20515.67 25295.67 25410.00 26849.33
Androsterone
6975134.83 6933228.50 6983892.83 8667054.17 9014533.33 9084005.50
Aniline; AIF; CE30; CorrDec
4961.00 3037.50 4123.33 131687.33 130626.33 126932.50
Anthranilic acid
1309.00 752.00 1071.83 47450.67 48602.17 50754.67
Arachidonoyl-carnitine; LC-tDDA; CE20
7778.00 53000.00 66074.83 78597.17 2216.33 4919.17
Arachidonoyl-carnitine; LC-tDDA; CE40
72545.50 74283.50 75331.50 448647.67 492867.50 446981.67
Aspartate
6106.33 5932.00 5118.33 10958.50 9182.33 6736.17
ASP-PHE
9034.00 8843.00 9205.00 3245.50 2088.17 1431.67
Assymetrical dimethylarginine
3153.83 4165.00 3733.83 44313.50 39297.00 45384.83
ATENOLOL
12131.33 15622.67 9684.33 280.00 192.00 104.50
Atenolol acid
1800.00 1845.17 2992.17 1316.50 1276.83 1658.00
Atrazine-Desisopropyl
4234.83 3674.83 3833.00 13712.33 12323.00 13401.83
Benzoylcholine
2202.17 2510.50 3543.67 4755.33 5374.00 7377.17
Benzoylecgonine
3398.33 2911.17 1773.00 237.00 224.50 221.00
Betaine
64002.83 21932.50 44922.17 328536.17 209651.33 120643.67
Betaine; CE30
247068.67 226577.50 247892.83 52809.50 91501.17 72783.00
Biliverdin
66299.67 64991.50 61760.00 13132.67 12920.67 13220.50
BIOTIN
39514.67 40059.17 38286.17 15597.50 16071.67 16887.17
BUTANAL
3983.83 4473.00 3815.50 29202.83 13713.67 27064.17
Butylisopropylamine
44044.83 43592.00 46593.67 43757.83 68743.33 60568.50
Butyryl-carnitine; AIF; CE10; MS2Dec
35475.33 36127.33 33543.83 99063.83 98996.00 103205.33
Butyryl-carnitine; AIF; CE30; CorrDec
98864.50 97100.33 91969.50 34732.33 33844.83 31465.67
Butyrylglycine
2789.17 2760.83 1644.50 80443.67 80628.83 85086.17
C10-homoserine lactone
429589.67 474127.33 418962.83 282.20 320.67 469.00
C18 Dihydroceramide (d18:0/18:0)
26844.00 26239.67 28105.17 13901.17 11565.33 12557.17
Caffeine
172.00 56.00 185.67 433.00 411.20 333.50
Ceramide (18:1/16:0)
547391.17 573580.33 576515.50 13878.83 15234.83 16270.67
Ceratodictyol
144469.50 146280.67 158791.33 196.00 296.25 481.50
Cetirizine
1180.83 1169.00 1619.50 - - 235.00
CHOLATE
1226984.17 1257751.67 1237938.33 94321.33 96385.33 96112.00
Cholest-4,6-Dien-3-One
71105.17 71405.67 74611.67 14901.83 13310.00 13369.33
Cholesterol
377.50 205.33 263.33 184.00 123.50 329.00
Cholic acid
719910.00 722473.50 714653.17 225230.00 218373.33 216582.00
Choline
8917.50 9717.67 10245.50 1914.00 1744.33 1805.33
CINNAMIC ACID
116713.17 119307.17 116998.17 456255.17 449385.67 448093.83
cis-Urocanic acid
4948.17 4420.00 4659.00 15075.33 9661.17 14075.17
Citalopram
7854.17 7160.83 9719.00 296.60 341.50 192.75
Codeine
23239.83 22529.50 20529.67 194.33 441.33 249.50
cordycepin
10782.00 10787.00 9428.67 14763.67 12126.17 14013.17
CORTICOSTERONE
4247.00 7100.33 5641.33 71864.67 70240.50 71742.00
Cortisone
8938.17 9021.50 8037.17 7503.50 6003.67 6734.33
Cotinine
1124.50 1520.83 1263.83 10.00 226.00 268.00
CP-642931
74860.67 64636.83 75307.33 6621.67 4997.67 3941.33
CREATINE
7421.00 8651.83 15546.00 185607.33 191448.33 196605.83
CREATININE
605.00 224.75 259.20 1538.50 653.67 605.33
CROTONIC ACID
7378.83 7373.50 8281.17 11904.00 13496.83 13687.00
Crystal violet
370766.33 364004.83 355571.00 916.50 1020.67 1009.60
Cyclohexylamine; AIF; CE10; CorrDec
1142.00 1074.17 745.00 1342.00 1737.67 1900.17
Cyclo(Leu-Pro)
4688.83 5300.33 4141.00 4582.67 5009.50 4705.67
CYS-GLY
731.67 1585.50 966.50 26653.67 26472.00 24560.67
Cysteine
353.50 302.67 261.00 20240.50 19023.17 18918.17
Cysteinylglycine
813.67 911.33 751.00 27586.33 28026.83 26208.33
Cytosine
24145.50 22283.67 23620.33 20523.17 17500.83 19335.17
Daidzein
238044.33 242332.83 240435.00 157635.67 168994.17 166316.67
Decaethylene glycol
30047.83 27554.33 27369.33 18405.00 18980.67 16828.67
DECANOYLCARNITINE
5159.67 6487.00 8153.33 4375.17 6056.00 5237.83
Decanoyl-L-Carnitine
31875.17 30031.83 34026.33 7706.50 8425.00 9027.50
Decanoyl-L-carnitine D3
5098067.50 5869141.33 5903065.50 5522299.00 2189071.50 5693693.67
DEET
387.00 548.60 298.17 15063.33 273.00 661.80
DEOXYCARNITINE
29207.50 28263.83 28946.00 14930.33 17243.17 16333.83
DEOXYCHOLATE
379512.83 376819.00 377806.67 3860.67 4481.33 4147.17
deoxycholic acid
97363.33 95511.83 93836.50 1264.00 1581.67 2230.00
deoxycommendamide (putative) or in source fragment -H2O obse...
847.00 845.67 618.00 16655.83 16051.50 14903.83
Deoxykhivorin
1408298.33 1331899.33 1242936.33 6362.17 5162.00 5444.50
DEP_178.1226_15.3
30907.67 27014.50 25989.67 5330.83 5117.50 6474.17
D-(+)-Glucosamine
3708.17 10307.50 8645.50 29025.50 53077.00 61472.00
Diazepam
379.50 554.25 199.60 - - 6.00
Dibutyl phthalate
19891.17 19715.83 17885.50 18729.83 20255.67 18730.67
Dibutylphthalate
5878.00 7487.17 8841.50 5326.67 4007.33 7724.83
DIBUTYL SEBACATE
1279799.50 1290854.00 1298848.00 234.50 348.00 421.17
Dicoumaroyl Spermidine
158611.17 157522.83 153076.50 5306.33 5083.17 5308.50
Dicyclohexylamine
3646.67 3188.50 3716.50 9591.83 8557.50 8585.00
Dicyclohexylurea
913.33 2098.67 1327.00 104442.17 1759.50 1643.67
Diethyl-phthalate
719.00 279.00 151.75 3971.00 - -
Diferuloyl putrescine
2617609.67 2564423.83 2528067.83 1963.00 2199.83 1840.17
Dihydrosphingosine
44537.33 27738.17 29820.33 49073.50 139670.67 78888.17
Diisobutyl phthalate
5772.17 10352.00 6417.83 3497.50 2974.50 2993.33
Dimethyl sulfoxide
9660.83 8452.83 8778.17 8928.50 10239.17 10253.50
Dimethyl??sulfoxide
8249.67 10548.50 9774.50 905.33 951.67 934.50
dimethyl(tetradecyl)amine
8380.33 9495.67 9539.67 4091.83 521.17 2375.83
Di-n-butyl phthalate
6877.17 8931.00 6962.67 312.67 413.67 295.00
Dioctyl Phthalate
1038.50 1456.67 1786.17 1761.33 952.67 957.67
Diosgenin
3138.67 2273.67 4051.50 1268.67 1269.83 1080.67
Diphenylamine
6072.83 6504.67 5506.17 12695.17 12527.00 12100.67
Diphenylphosphine oxide
8.00 93.00 289.00 171.00 324.25 244.50
DL-Norleucine
133093.17 125870.17 120293.50 211820.00 213997.67 236700.67
DodeDecanoyl-L-carnitine D3
18486.33 4498.33 3776.67 26949.17 43385.17 43409.33
D-ribo-Phytosphingosine
94.60 56.75 141.33 261.00 104.00 179.50
D-sphingosine
56268.83 45491.67 32354.67 166379.00 222584.50 206227.67
Ecgonine-methyl-ester (EME)
39878.00 40447.67 41018.33 11225.50 10732.33 11365.67
Enterodiol
12294.17 14495.17 16970.17 16174.67 13444.17 15571.33
Epigallocatechin
1544.83 1902.00 1692.17 50387.33 54945.00 57471.17
Erucamide
705553.00 726203.67 724386.33 954264.33 851606.00 858801.67
Ethyl 3-(N-butylacetamido)propionate
48161.33 51324.17 49688.50 81747.83 82460.67 86918.00
Exemestane
266297.17 261275.67 257916.50 1288.50 2216.33 1850.83
FAD
2277.17 910.50 948.17 127464.67 161655.33 199458.67
Fenpropimorph
28612.83 28798.83 27316.67 172.00 323.67 204.00
FERULATE
16162.00 17888.50 17335.67 - - -
Flavin??adenine??dinucleotide
4147.67 2478.50 1157.50 134962.17 67843.17 72445.00
Flavone base + 3O, O-HexA
486.50 657.00 817.50 641.83 487.33 788.50
Fluvoxamine
54709.17 54155.50 50019.50 5807.17 6408.83 5407.83
Folic acid
292.17 469.80 559.50 8500.00 7638.33 9174.00
Gabapentin
538.67 838.50 444.17 97.00 163.60 288.75
Gabapentin-lactam
309.40 478.00 147.67 212.00 269.00 7.00
GAMMA-CAPROLACTONE
17733.83 15448.50 17057.67 29171.33 30071.83 29955.17
Gamma-glutamylcysteine
1465.17 1642.00 1302.17 6819.00 6748.83 6694.33
gamma-Glutamylleucine
157720.33 162357.17 160400.33 46604.50 54215.17 53703.50
Genistein
44959.33 42964.33 42798.17 4932.17 5234.83 5027.67
Gentisyl alcohol
549.00 439.83 350.67 7.00 10.00 -
Glutamate
317.75 217.50 245.50 2450.17 2308.17 3323.50
GLUTAMIC ACID
47122.83 45880.67 48026.00 161837.50 167230.67 181117.17
Glutamic acid gamma methyl ester
8093.83 8600.00 10301.67 55037.50 52463.67 60381.33
Glutamine
831.00 714.83 884.17 223.00 723.40 573.00
Glutamine; AIF; CE10; CorrDec
598.00 630.17 298.40 288.25 245.80 389.67
Glutamine; LC-tDDA; CE40
1058.50 300.33 611.67 919.67 2036.00 1371.17
Glutamylphenylalanine (isomer of 1503)
55952.50 57130.17 53511.83 68325.50 66913.67 66516.33
Glutaryl-carnitine; AIF; CE30; MS2Dec
11394.33 6100.17 10190.33 27026.00 29978.00 33249.33
Glutathione
1165.17 1322.67 1707.50 1173005.33 1124956.17 1098330.33
Glutathione oxidized
1902.33 2218.17 2913.33 519507.33 525056.00 507680.83
GLYCEROL-MYRISTATE
31288.50 31252.00 32701.33 - - -
Glycitein
359130.00 353593.17 352114.33 82921.67 86719.50 86919.17
GLYCOCHENODEOXYCHOLIC ACID
350502.33 349051.50 348457.50 434.00 163.25 318.20
GLYCOCHOLATE
9121.00 6264.50 8697.33 5195.33 5125.83 5118.83
Glycohyocholic acid
18773.83 19364.50 19871.17 54727.50 54106.50 57208.83
Glycohyodeoxycholic acid
25655.33 24408.83 23669.83 4093.50 3300.83 3983.67
Glycyl-L-proline
11794.17 13502.50 11963.17 19.33 148.40 218.00
Glycyl-proline; LC-tDDA; CE20
19181.17 17380.17 18702.33 57382.50 62289.50 57844.67
Gly-Leu
141768.67 145346.00 146214.67 85528.17 86985.50 89857.00
Guanine
47099.50 46177.33 45699.17 8141.67 4324.17 17368.33
Guanosine
83239.33 83365.50 86620.67 9224.17 9526.67 11508.17
h_60_epimethendiol
1861.00 1573.00 1682.33 309042.33 270897.67 261221.33
Hexanoyl-carnitine; AIF; CE30; CorrDec
6233.50 8145.50 9283.33 836.67 703.67 943.33
HEXANOYLGLYCINE
680.00 524.20 1136.33 55853.83 57897.67 57786.83
Hexanoyl-L-Carnitine
1990.50 4007.67 3404.17 974.17 642.67 288.83
Hippuric acid
1670.50 1966.00 1826.67 13786.17 16826.50 18629.00
Hirsuteine
866.67 1039.33 916.67 7472.50 7281.50 8083.00
Histidine
4150.17 4258.67 4604.67 186101.83 182411.33 190368.50
Homoserine
24464.83 24085.83 24526.67 19528.50 19325.83 18482.17
Homostachydrine
53029.83 52094.83 51835.83 94771.17 102987.33 107382.17
HP-921; CE30; DDA; WAVNXLRSYAMQNY-UHFFFAOYSA-N
913978.00 993767.50 834381.33 640912.17 796646.17 562218.83
hyocholic acid
5375824.00 5463479.00 5490429.67 73691.00 83487.50 77747.17
Hypoxanthine
3538.00 3223.00 2042.67 103197.50 121987.67 126175.67
Indole-3-acetyl-L-alanine
4009.83 4280.83 4343.83 6376.67 6945.50 6651.33
Indole-3-carbinol
11424.33 11514.50 11873.00 1402.17 1821.17 1912.33
Indole-3-carboxyaldehyde
33961.17 35174.50 34777.00 8316.00 8617.83 8889.83
INDOLE-3-ETHANOL
20260.00 19321.17 19004.17 939.60 768.17 1077.50
INDOLEACETIC ACID
8.00 77.75 233.75 139.67 192.50 304.33
Indoline
7057.33 5836.67 5493.67 2199.00 2158.50 2257.67
INOSINE
72693.17 72959.50 75908.00 102623.50 106586.33 110878.83
Isobutyryl-carnitine; LC-tDDA; CE10
96009.67 92018.67 88997.67 35359.33 33437.50 32048.50
Isoleucine
13561.00 15359.17 10748.17 35124.00 38070.83 44372.33
Isotalatizidine
39565.17 39165.00 39984.67 433.67 256.00 208.00
IS_PHENYLALANINE-2,3,4,5,6-D5
834939.83 849868.67 845421.17 496849.67 506315.67 524351.17
IS_TRYPTOPHAN-2,4,5,6,7-D5
2125632.17 2140567.17 2140579.00 2859145.00 2930722.50 2999718.83
Kynurenic acid
659374.17 666399.33 661324.50 884.83 739.17 1084.50
KYNURENINE
18318.33 17935.50 18656.17 654361.83 676384.50 697818.17
Lactamide
16201.17 18506.33 16762.50 58900.17 60120.33 65274.33
LACTULOSE
20416.17 16219.00 16490.83 57015.17 57975.00 59681.67
L(+)-Arginine
8097.83 7604.67 7989.83 624.67 1006.33 1681.83
Lauramidopropyl betaine
91241.33 91328.17 89820.00 349108.50 279811.50 292752.50
LAUROYLCARNITINE
98299.33 93347.17 91975.67 12172.67 12427.83 11957.83
Lauryl diethanolamide
47648.00 49427.67 50913.50 35494.83 25866.83 27955.00
Lauryldiethanolamine
326040.17 327191.67 321250.33 393701.00 370077.83 409303.17
Lauryldimethylamine Oxide
2321.17 3581.00 4080.50 4343.17 476.17 587.83
L-beta-Homoleucine
8736.67 10093.83 9680.33 88932.67 92342.00 94088.00
L-Carnitine
31129.83 26350.17 34291.33 412931.00 425620.17 435873.50
lenticin
32728.67 30598.00 31028.83 3844.83 5020.33 4584.33
L-(+)-Ergothioneine
5242.00 7208.83 6243.67 50211.33 57978.83 58822.83
Leucine
23893.17 23298.00 22482.17 25156.50 36075.17 37120.83
Leucine_Enkephalin
1001966.33 987870.00 976941.50 1495176.67 1505902.33 1521914.83
Leucyl-leucine; LC-tDDA; CE10
109651.67 109711.00 115609.50 13472.00 13228.67 14683.83
L-Glutamine
1324.17 886.00 920.67 1428.33 2235.50 1481.17
L-Histidine
10859.33 13804.50 10501.17 36840.83 18035.83 25242.00
LID_235.1805_10.1
10047.17 10265.50 10968.83 2552.33 332.83 1202.17
Lidocaine-N-Oxide
543481.83 560052.33 550914.50 641.00 227.00 -
?-linolenic acid
72613.17 74751.50 73526.00 1490.00 202.33 767.67
Linoleyl-carnitine; AIF; CE30; CorrDec
475246.83 452237.67 417305.50 331449.67 391398.67 372324.83
Linoleyl-carnitine; LC-tDDA; CE20
9407.00 12811.83 21959.83 50001.17 121.33 513.00
L-Isoleucine
6771.17 3339.17 3543.83 88567.67 78392.83 78431.33
L-Methionine
124287.33 127845.17 126557.83 464654.83 475354.17 502481.00
Loliolide
40842.83 39258.33 39457.00 35489.83 34557.83 34789.17
L-Ornithine
1217.50 1341.67 1676.33 153747.83 151994.67 160076.50
LPC 16:0
662534.83 680588.33 678974.17 3983577.17 3887579.17 3856426.00
LPC 18:1
805786.33 779814.50 773382.67 419472.67 470344.67 473543.50
LPC 18:2
272569.83 269669.83 276557.67 734534.33 716423.83 711090.33
LPC 18:3
58831.00 60271.17 58166.67 578553.67 569153.83 566704.00
L-Pipecolic acid
461285.83 461591.17 461532.33 148628.83 148486.50 159913.83
LUMICHROME
171257.00 173137.33 172192.67 47466.17 50031.67 49185.50
LYSINE
36684.17 36420.00 36870.33 462110.50 471056.33 481389.50
LysoPC(0:0/18:0)
5730.83 4825.00 5946.67 137169.83 140259.67 181772.83
MAG
196214.17 206277.17 206229.00 52216.33 52891.33 48394.67
Maltol
6629.83 4154.83 2593.83 11708.67 21728.83 20445.33
maltotriose
8366.00 8781.50 8790.00 22791.00 21875.83 23100.50
Mefenamic acid
18870.33 18600.00 19118.83 100540.17 119710.50 119533.83
Methionine
28785.17 30129.67 29491.00 51099.00 50089.83 50175.33
Methylhippuric acid
7328.33 7234.00 7147.33 55401.83 57220.00 58006.83
Methyl-hippuric acid; LC-tDDA; CE20
574.17 1006.50 1095.17 473.25 638.00 227.40
Methylimidazoleacetic acid; LC-tDDA; CE40
158935.17 167531.67 160069.50 671.33 792.17 796.00
Methyl Salicylate
711.83 611.50 633.33 2404.67 1891.83 1767.50
Methyl trans-styryl ketone
287.50 385.50 209.00 976.67 1117.83 1246.17
Methyltyrosinate
94932.67 91811.33 92598.33 82949.17 80541.17 85301.83
MMV688990
4120.17 5269.67 5266.00 6445.50 6278.50 5933.50
Mono-iso-butyl phthalate
2388.00 2170.33 2628.00 2922.33 2447.17 2402.50
monoolein
54563.50 55117.33 52404.83 29937.50 27158.67 24852.83
Morphine_3_Glucuronide
1341.33 2167.00 2591.17 3555.33 3712.17 3593.17
Myristamidopropyl betaine
12027.50 11690.33 12297.50 23351.17 21210.50 22033.00
Myristoyl-carnitine; AIF; CE10; MS2Dec
8029.50 5258.83 2654.50 6220.67 8384.67 7017.50
Myristoyl-carnitine; LC-tDDA; CE30
20228.50 114995.83 146565.83 19524.17 4493.50 4370.17
N-[1,3-dihydroxyoctadec-4-en-2-yl]tetracos-15-enamide
6466.00 6128.00 6360.50 217691.33 225346.17 215179.17
N-(1,3-dihydroxyoctadec-4-en-2-yl)tetradecanamide
87638.33 88246.83 87929.67 1763.33 1954.00 2039.67
N1-ACETYLSPERMINE
24639.50 24546.83 25088.17 390.33 321.67 499.00
N1-Methyl-4-pyridone-3-carboxamide; AIF; CE10; CorrDec
27559.33 29346.50 28321.00 67937.33 63993.50 66405.83
N-(2,4-Dimethylphenyl)formamide
7562.67 7494.17 6652.17 9995.67 9461.17 10250.33
N2,N2-Dimethylguanosine
42452.83 43498.67 44853.33 207903.00 204810.67 208539.50
N-[3-(Dimethylamino)propyl]dodecanamide
2945.67 3017.83 4097.50 3656.67 2909.33 1969.50
N6-(DELTA2-ISOPENTENYL)-ADENINE
26182.50 26099.67 25453.00 2124.33 2031.67 1993.00
N6-Methyladenosine
5583.67 4546.50 5192.50 2568.17 2813.17 3804.00
N6-Succinyladenosine; AIF; CE30; MS2Dec
4344.83 4557.17 4338.00 55619.17 52694.67 50122.17
N6-Threonylcarbamoyladenosine
13943.17 12310.33 8610.50 58197.50 76584.83 21070.67
N-Acetyl-5-hydroxytryptamine
30125.83 30656.00 30400.00 53957.33 51855.17 58520.33
N-ACETYL-ASPARTIC ACID
283.00 631.67 302.67 - 32.50 205.67
N-Acetyl-cysteine; LC-tDDA; CE20
290.00 285.00 197.50 4041.67 3958.33 3545.67
N-Acetyl-cysteine; LC-tDDA; CE30
9.00 285.00 26.00 2882.50 3958.33 2861.67
N-Acetyl-cysteine; LC-tDDA; CE40
932.00 741.50 812.33 65481.50 63924.67 62851.17
N-Acetylcytidine
13849.33 12102.17 12680.83 18668.00 25664.17 29278.00
N-ACETYLGALACTOSAMINE
18121.17 19222.83 18792.17 1785.17 2043.33 2098.33
N-Acetylglutamic acid
38526.33 36523.67 40085.83 9424.50 8840.33 9851.33
N-Acetyl-leucine; LC-tDDA; CE10
12292.33 13060.33 13222.33 11873.50 12881.33 13353.83
N-Acetyl-leucine; LC-tDDA; CE20
12992.00 14056.83 14304.50 42440.50 45307.67 44919.33
N-Acetylmethionine
31809.00 30721.50 32339.83 59574.50 59617.33 61860.83
N-ACETYLMURAMIC ACID
95581.33 90903.17 96371.33 245.20 425.20 514.20
N-Acetylphenylalanine
16694.17 16898.00 17708.50 66088.67 67417.00 66358.67
N-ACETYLPUTRESCINE
53757.67 58582.17 58944.50 128.50 - -
N-ACETYLTRYPTOPHAN
18496.67 15492.00 17268.17 26707.33 32458.67 31604.00
N-Acetyl-tyrosine; LC-tDDA; CE30
13622.33 14756.50 14455.00 15021.50 16368.17 6374.17
N-C18:0 Phytoceramide
59177.00 59487.00 61723.83 - - -
NCGC00015088-09_C12H14N2O_N-[2-(1H-Indol-3-yl)ethyl]acetamid...
236552.00 238458.83 243156.17 2755.00 2962.67 3013.50
NCGC00169296-02!(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydro...
363.00 278.60 98.00 1183.33 1134.83 694.00
NCGC00332267-02!N-(2-phenylethyl)acetamide
142192.33 140314.83 143823.67 697.33 696.67 1020.33
NCGC00380823-01!2-(14-methylpentadecanoylamino)-3-phenylprop...
20448.83 20126.00 18624.17 104891.67 100408.33 91136.83
NCGC00381425-01!8-hydroxy-8-(3-octyloxiran-2-yl)octanoic aci...
386971.33 381737.33 388359.50 887.50 1226.67 761.50
NCGC00384987-01_C12H15NO4_N-Acetyl-O-methyltyrosine
1605.00 453.17 771.17 37.75 310.40 268.80
NCGC00385291-01_C19H30O8_3-Buten-2-one, 4-[4-(beta-D-glucopy...
7579.83 4516.83 8952.50 17371.67 16898.17 20651.83
NCGC00385316-01_C20H32O3_1-Naphthalenepentanoic acid, 3,4,4a...
7486.00 7280.00 11594.17 205.75 341.25 171.00
NCGC00385353-01!(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydro...
327.33 333.33 959.00 1426.33 2267.00 2092.17
NCGC00385536-01!(2E,4E)-N-(1,3-dihydroxy-3-methylpentan-2-yl...
56397.17 55441.67 58296.33 1768.50 1710.17 2163.33
N-(CINNAMOYL)GLYCINE
836.00 921.17 855.50 23815.50 23193.50 24619.17
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE
9515.83 9059.00 9581.67 48234.00 47842.00 51939.00
N-Fructosyl isoleucine
10064.67 14449.50 15804.17 291829.17 288271.67 299285.83
NICOTINAMIDE
7194.83 7642.50 7570.33 1271102.83 1280199.17 1324747.17
NICOTINATE
884438.33 878100.50 877916.67 9663.67 7753.50 10406.33
Nicotine
9932.17 8411.50 9094.50 2951.17 2690.33 2553.83
Nicotinic acid
1113486.33 1139582.50 1145939.00 9792.33 12231.33 16739.83
N-Isovalerylglycine
214.33 296.40 684.50 40497.50 37425.17 42537.83
N-lauroylethanolamine
7769.67 8859.17 8583.17 13693.83 11873.17 12331.00
N-Methyldodecylamine
3112.17 3239.33 3538.00 5761.67 1905.17 2724.17
N-METHYLNICOTINAMIDE
752.00 219.50 213.00 234.67 190.00 271.33
N,N-Dimethyldecylamine
863.83 2596.67 1984.67 3078.00 3660.83 3642.50
N,N-Dimethyldecylamine oxide
7572.83 6717.17 7137.50 3807.17 4903.83 4913.67
N,N-Dimethyldodecylamine
2858.67 1539.00 1606.17 8632.50 17086.50 8477.33
N,N-Dimethyldodecylamine N-oxide
43620.33 43108.50 43470.67 71863.83 73201.83 71114.33
N,N-Dimethylguanosine; LC-tDDA; CE40
42499.33 43776.17 44872.00 165387.83 204847.00 177353.67
N-(n-octyl)-2-pyrrolidinone
2020.67 2240.33 1967.67 9871.00 5898.83 5980.83
Nonaethylene glycol
32636.33 35845.50 30555.00 21880.67 24329.17 24759.67
Norethindrone
451261.83 438013.67 454332.33 1691.83 2129.17 1963.17
Norharman
16897.00 14562.83 15054.00 3242.33 3230.00 3074.67
N(PAI)-METHYL-L-HISTIDINE
807.50 1114.67 850.17 1368.67 1614.00 1381.50
O6-MeG
3664.17 4804.33 4124.67 17388.17 16264.33 14858.67
Octaethylene glycol
1049.33 878.17 1209.33 378.00 281.00 459.20
OCTANOYLCARNITINE
1462.83 2400.33 1719.83 437.40 288.50 322.50
Octenoyl-carnitine; LC-tDDA; CE10
8042.33 7864.00 5518.83 1836.33 2293.67 2178.00
Octenoyl-carnitine; LC-tDDA; CE30
4905.17 6023.83 6385.17 106.00 301.00 136.33
Oleoyl Ethanolamide
1801510.17 1779185.17 1808070.83 290421.50 292935.33 285229.17
Oleoyl-L-Carnitine
87895.67 320590.67 544425.50 117088.17 21754.17 27673.33
oroxindin
363.00 408.20 317.33 1183.33 1134.83 1256.33
ortho-Chlorophenylpiperazine
302.17 255.40 559.00 208.00 6.00 164.50
Ortophosphate
1152.67 1493.83 905.33 243114.67 242151.83 226542.17
Palmitoylcarnitine
13230.50 20545.83 27948.00 39233.67 2475.83 2917.00
Palmitoyl-carnitine; AIF; CE30; CorrDec
38876.83 23969.00 19417.00 103602.17 168789.83 121422.83
Palmitoylcarnitine cation
310644.33 308283.00 310054.17 55890.33 10986.83 11161.00
Pantethine
23724.67 24426.33 24790.00 884.80 735.00 658.17
PANTOTHENATE
38930.33 40782.17 40343.33 290288.83 316789.33 312155.00
PANTOTHENIC ACID
528973.00 811158.17 804732.67 4183300.00 4188543.83 4241151.17
Paraxanthine
538.00 204.00 202.00 347.33 296.00 190.00
Paroxetine
1980.17 2327.50 1739.00 62.00 540.00 177.75
PC(16:0/0:0)
6112767.50 5111098.67 6007102.50 2023352.00 2349913.83 2302739.67
PC(16:0/18:1(9Z))
947725.67 1003029.67 1028125.67 390537.83 378268.00 391070.17
PC 17:0-20:3-d5_ISTD
229.83 266.33 534.40 29531.17 28414.00 27065.33
p-Coumaraldehyde
500.17 778.67 1378.33 459.67 272.00 308.00
Petiline
1432.67 1789.33 2235.67 489.60 384.80 377.67
Phenylacetylglutamine
7017.00 3845.83 5076.50 11536.00 10923.00 10958.50
PHENYLACETYL-GLUTAMINE
6464.33 3769.50 4913.00 7717.17 7626.17 7702.17
Phenylalanine
19732.00 18665.67 19041.17 1131.50 2051.17 2047.17
PHENYLETHANOLAMINE
3077597.50 3051787.00 3045193.33 11696689.50 11548123.33 11351475.33
Phenylethylamine
195614.17 194306.50 199422.17 23897.00 23194.17 24854.50
Phosphorylcholine; LC-tDDA; CE30
9159.67 9599.00 9451.00 76717.67 77159.83 79510.00
Phosphorylcholine; LC-tDDA; CE40
4322.83 3648.50 3609.17 17198.00 18203.83 17947.00
Phthalic acid
1476.33 2798.83 2754.83 809.67 457.83 676.50
Phytosphingosine
540020.17 528108.33 522242.83 28354.00 29364.17 29055.33
Phytosphingosine (not validated, isomer of 1696)
7617.33 6692.50 6676.83 9510.33 9469.33 10206.67
Picolinic acid
4592.83 5330.50 4916.67 216.25 254.50 79.00
Pilocarpine
156510.00 157730.33 152406.50 1833.33 1096.17 1917.67
Pipecolic acid
16413.83 16060.83 15289.50 186824.00 191262.50 185125.50
Piperine
744.33 843.40 1127.20 - 309.00 -
Pirimicarb-desamido
29440.17 29685.33 28480.33 16932.83 17187.83 16453.67
P-OCTOPAMINE
41387.17 41667.67 41370.67 83196.50 83978.50 84060.50
Prolinamide
730.33 689.00 628.50 26807.50 26112.33 27004.83
PROLINE
2281.17 2369.00 2251.33 172493.83 174603.17 173626.83
Proline betaine
119549.17 119545.67 116501.17 43956.67 54022.00 53009.33
PROPIONYLCARNITINE
61658.67 54728.33 54930.67 132279.67 131880.17 134484.67
PURINE
84869.83 47752.00 86181.50 47149.17 48226.17 87757.67
Purine; CE30; DDA; KDCGOANMDULRCW-UHFFFAOYSA-N
70774.00 92391.00 85484.67 98781.00 113245.50 94487.17
Putrescine
33059.67 35688.67 35880.50 4099.33 4614.50 4953.33
Pyridine
2680.83 4399.17 4928.50 20094.50 18488.33 19533.50
Pyridoxal
14778.67 14290.83 13712.33 355.40 528.50 315.60
Pyridoxine
34143.67 35181.50 36797.50 8610.50 9047.67 8926.17
PYROGLUTAMATE
1784.33 2405.67 2177.50 6797.17 6479.17 7891.17
PYROGLUTAMIC ACID
803.00 293.83 730.33 4752.83 4784.00 4907.00
Quetiapine
941.67 1000.67 1930.33 589.00 112.50 167.00
Quinaldic acid
359077.17 373445.17 367262.33 766.67 913.50 867.17
Quinoline; LC-tDDA; CE30
740.67 1222.00 902.67 28491.67 28366.67 26570.00
Quinolone
1382291.17 1358967.00 1346120.33 3551.67 3936.00 3684.50
(R)-4-((3R,5R,6R,7R,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-...
1916886.67 1934595.67 1918635.67 50701.17 49267.83 48886.17
(R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,1...
470973.33 464110.83 475790.33 4157.50 3680.50 3229.83
(R)-4-((3R,5R,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethy...
371734.50 375329.33 364641.17 179232.17 189433.17 185253.33
(R)-4-((3S,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydrox...
581213.50 594278.50 593412.50 17089.33 19043.50 17485.83
(R)-4-((3S,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-...
1616924.83 1570190.17 1600322.67 3351.00 3188.33 4245.17
(R)-4-((5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,6-dioxohe...
180998.67 168390.00 175751.67 209.00 225.00 312.00
RIBOFLAVIN
66983.17 67548.00 68463.17 403285.17 398580.17 387022.17
(R)-(-)-Phenylephrine
44722.67 44244.17 45780.83 238.00 8.00 218.00
S-Adenosyl-L-homocysteine
577.83 693.83 691.00 40487.33 15315.17 22520.50
Sarcosine; AIF; CE10; MS2Dec
9034.17 9210.83 10265.50 14956.50 15472.00 16618.83
Serotonin
17610.50 18922.83 18201.83 1135.00 1231.83 1378.50
Serylleucine
46714.50 46907.67 48395.17 6753.33 5568.17 5732.33
S-Methyl-methionine; LC-tDDA; CE20
- 324.33 248.00 10053.00 10135.17 10125.17
sn-Glycero-3-phosphocholine
11244.50 9994.17 16825.67 25988.00 23490.17 28586.50
SPERMIDINE
1174191.33 1184422.00 1177303.67 404172.00 430888.33 407794.67
SPERMINE
20212.50 22414.00 20178.00 7327.67 7143.17 9160.33
SPHINGANINE
411711.50 411814.00 419313.83 157346.50 188845.67 185619.83
Sphinganine (C17 base)
206867.67 214382.00 216067.33 1262.67 1180.50 1262.67
SPHINGOMYELIN
10270.00 12137.83 14680.00 38003.83 36094.00 34543.83
Sphingosine
76154.67 270109.83 671492.50 423460.00 53075.17 74232.83
Stearoyl-carnitine; LC-tDDA; CE20
15533.00 22397.67 35582.17 101386.50 3878.50 4672.67
Stearoyl-L-Carnitine
6958.17 6363.83 4339.17 16458.83 32194.67 19320.50
Stercobilin
119977.50 113402.83 117913.00 597.33 598.67 695.33
TAG(50:1)
8083.17 10330.33 11448.67 22403.67 19052.83 13347.67
Taurine; AIF; CE10; CorrDec
3516.83 3901.33 3607.83 76665.00 79783.67 80845.33
Taurocholic acid
63500.17 64871.50 63174.83 389313.00 276845.50 119495.67
Taurodeoxycholate
6697.83 6753.50 5351.33 74340.00 20160.50 17411.00
?-Tauromuricholic acid
42127.33 40535.50 40780.67 134250.67 131975.00 131116.50
TAUROURSODEOXYCHOLIC ACID
4936.83 6599.50 8942.33 5027.50 1079.33 1229.50
Theobromine
109.25 206.33 199.00 285.00 - 7.00
THIAMINE
27499.67 26174.50 27520.50 2144.17 2126.83 2155.83
Thionin
2365.00 2455.67 2215.33 42791.67 34429.83 42579.83
Thymine
320383.83 322553.50 324448.00 16737.00 19115.33 20926.33
TIGLYL GLYCINE
1489.33 1372.33 1881.33 14696.83 16567.83 17413.50
Tramadol
8008.83 7140.83 5660.17 425.50 127.50 -
Trazodone
3605.83 4602.33 2214.33 258.00 265.50 82.67
TREHALOSE
31787.67 32278.33 31902.50 25346.67 25255.67 25717.50
Tri(butoxyethyl) phosphate
76322.33 74228.83 76435.50 126598.67 123357.00 133407.00
Tributylamine
298503.17 298662.00 297014.67 342726.33 350278.33 340676.50
Tricin
42514.17 42169.50 39026.17 1170.33 970.50 998.00
Triethyl phosphate
7283.00 7816.00 7626.00 18247.33 21161.50 21058.67
TRIMETHYLAMINE
380.83 377.17 586.50 1130.00 1024.50 758.67
TRIMETHYLAMINE N-OXIDE
- - - - - -
Tri-N-butyl phosphate
12819.83 13635.50 14432.17 15387.17 13645.83 13912.83
Triphenylphosphine oxide
12095.33 11553.33 11407.17 36103.83 16547.50 16967.83
Tryptamine
24727.00 8263.67 8389.00 18168.17 20239.17 20045.00
Tryptophan
331714.33 335926.33 340702.17 4480509.33 4531847.83 4684763.50
Tyramine
3864.17 2860.67 3521.33 3130.83 2578.00 3235.17
Tyrosine
3764.67 2143.00 1766.83 12555.00 12376.17 11904.67
URACIL
57847.33 57935.33 59648.50 39624.17 42491.17 41803.33
Uric acid
619.67 820.00 419.67 9.00 6.00 91.50
URSOCHOLIC ACID
2249966.00 2255494.17 2267167.17 525832.17 528412.00 530793.83
URSODEOXYCHOLATE
1047124.33 1124111.17 1135236.50 3136.00 2969.50 3035.83
Valeryl-carnitine; AIF; CE30; CorrDec
66203.17 63761.83 68241.33 591061.83 598346.50 586881.00
Valine
128577.17 137137.67 125659.17 140338.83 111824.00 147275.83
Valsartan
3541.17 4449.00 3487.17 2192.67 1613.33 1643.17
Voacamine
29663.50 28654.33 28667.67 - - 33.00
Walleminone
228595.50 230736.00 227357.50 795.50 869.33 816.40
Xanthine
54649.50 52936.50 52455.50 120251.67 114173.50 112516.50
XANTHOSINE
3922.67 4096.67 3581.33 17601.33 18105.50 17122.00
(Z)-3-(4-hydroxyphenyl)-N-[4-[[(E)-3-(4-hydroxyphenyl)prop-2...
125464.67 125130.33 121854.50 369.60 327.00 282.40
(Z)-9,12,13-trihydroxyoctadec-15-enoic acid
845473.67 856939.83 861857.17 113655.50 109539.50 111656.50

Factors:

F1Source:Feces | MS2 CE:15V
F2Source:Feces | MS2 CE:30V
F3Source:Feces | MS2 CE:45V
F4Source:Liver | MS2 CE:15V
F5Source:Liver | MS2 CE:30V
F6Source:Liver | MS2 CE:45V
  logo