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Data for ST000756
(Analysis AN001187):
Average values per metabolite and experimental factor (Units:Peak area)
Metabolite structure
All data
F1
F2
F3
F4
10-HYDROXYDECANOATE (CAS# 1679-53-4); (M+NA)+
32301.50
57310.00
36911.00
11-DEOXYCORTISOL (CAS# 152-58-9); (M+H)+
26964.33
38692.00
41281.33
16:0-18:0 PC (CAS# 59403-51-9); (M+H)+
19936.00
10772.00
8519.33
16:0-18:0 PC (CAS# 59403-51-9); (M+NA)+
129062.33
182605.00
118184.33
16:0 LYSO PC (CAS# 17364-16-8); (M+H)+
183148.67
264660.00
156255.00
16:0 LYSO PC (CAS# 17364-16-8); (M+NA)+
6789796.67
1175122.00
6906228.33
18:0 LYSO-PE (CAS# 69747-55-3); (2M+NA)+
3497.00
-
11234.00
18:0 LYSO-PE (CAS# 69747-55-3); (M+H)+
-
-
30533.00
1-AMINOCYCLOPROPANE-1-CARBOXYLATE (CAS# 22059-21-8); (M+H)+
17535.00
14785.00
19040.33
1-METHYLADENOSINE (CAS# 15763-06-1); (M+H)+
-
4235.00
7121.00
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+NA)+
389836.00
107829.00
67532.67
20:0 LYSO PC (CAS# 108341-80-6); (M+NA)+
57234.50
85694.00
80953.33
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+NA)+
271489.67
-
-
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+NA)+
3070.50
-
-
2^-DEOXYGUANOSINE (CAS# 961-07-9); (M+H)+
30808.00
64379.00
48959.00
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (CAS# 583-91-5); (M+NA)...
-
-
1277.00
2-HYDROXYBUTYRATE (CAS# ); (M+NA)+
1827.00
-
-
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+H)+[-H2O]
2988.00
4056.00
6302.00
2-METHYLMALEATE (CAS# 498-23-7); (M+H)+
98005.50
-
101611.00
2-METHYLPROPANAL OXIME (CAS# 151-00-8); (M+H)+[-H2O]
52086.50
23363.00
29401.00
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M+H)+
21598.00
-
30261.50
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M+NA)+
-
-
1217.00
3-AMINO-4-HYDROXYBENZOIC ACID (CAS# 1571-72-8); (M+H)+
23979.00
-
-
3-AMINOISOBUTANOATE (CAS# 144-90-1); (M+H)+[-H2O]
5189.00
4241.00
3701.00
3-DEHYDROSHIKIMATE (CAS# 2922-42-1); (M+H)+[-H2O]
-
1208.00
-
3-DEHYDROXYCARNITINE (CAS# 407-64-7); (M+H)+
137618.00
70617.00
29480.33
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+NA)+
-
-
36332.00
3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M+H)+[-H2O]
18057.33
58687.00
27951.67
3-HYDROXYBENZYL ALCOHOL (CAS# 620-24-6); (M+H)+
-
3659.00
-
3-METHOXYTYROSINE (CAS# 4214-13-5); (M+H)+
12249.00
-
-
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M+H)+[-H2O]
1977.00
4106.00
6302.00
3-METHYL-2-BUTENAL (CAS# 107-86-8); (M+NA)+
2408.50
-
2943.67
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M+NA)+
8888.00
-
16406.00
3-METHYLXANTHINE (CAS# 1076-22-8); (M+H)+
-
-
16308.50
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+NA)+
66391.00
48340.00
-
4-GUANIDINOBUTANOATE (CAS# 463-00-3 ); (M+H)+
104438.00
-
-
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC ACID (CAS# 4...
5534.00
-
-
4-HYDROXY-3-METHOXYPHENYLGLYCOL (CAS# 67423-45-4); (M+H)+[-H...
434991.00
478515.00
-
4-HYDROXYPHENYLACETATE (CAS# 156-38-7); (M+H)+
8589.50
-
27240.33
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M+NA)+
8517.50
16206.00
24947.33
4-METHYLCATECHOL (CAS# 452-86-8); (M+H)+
47953.00
-
58787.00
4-PYRIDOXATE (CAS# 82-82-6); (M+H)+
216588.00
148101.00
80988.00
4-PYRIDOXATE (CAS# 82-82-6); (M+H)+[-H2O]
6794.00
-
-
4-PYRIDOXATE (CAS# 82-82-6); (M+NA)+
15037.00
22969.00
8881.00
4-QUINOLINECARBOXYLIC ACID (CAS# 486-74-8); (M+H)+
52231.00
176529.00
44195.00
5ALPHA-CHOLEST-7-EN-3BETA-OL (CAS# 80-99-9); (M+H)+[-H2O]
235428.33
292241.00
225345.00
5-AMINOPENTANOATE (CAS# 660-88-8); (M+H)+
2650117.67
2383100.00
2388994.67
5-METHYLCYTOSINE (CAS# 554-01-8); (M+H)+
8393.00
-
6826.00
5-METHYLTETRAHYDROFOLATE (CAS# 134-35-0); (M+H)+
5819.00
-
-
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+H)+
6300.00
17285.00
-
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+NA)+
3175.00
-
5407.50
5-OXOPROLINE (CAS# 4042-36-8); (M+H)+
288223.00
35817.00
85964.67
5-VALEROLACTONE (CAS# 542-28-9); (M+H)+
8069.67
19398.00
33162.67
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M+NA)+
8888.00
-
15598.00
ABRINE (CAS# 526-31-8); (M+H)+
5054.00
-
-
ACETAMINOPHEN (TN TYLENOL) (CAS# 103-90-2); (M+NA)+
-
2817.00
2317.00
ACETOACETATE (CAS# 541-50-4); (M+H)+
37799.00
14718.00
43420.00
ADENINE (CAS# 73-24-5); (M+H)+
14837.67
6066.00
8932.50
ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (2M+H)+
-
-
3441.00
ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (M+H)+
6402.00
17421.00
14584.00
ADENOSINE (CAS# 58-61-7); (M+H)+
30808.00
64379.00
48959.00
AHBA (CAS# 76045-71-1); (M+H)+
23979.00
-
-
ALANINE (CAS# 56-41-7); (M+H)+
20025.50
18630.00
10359.50
ALLOSE (CAS# 2595-97-3); (M+NA)+[-H2O]
-
-
36332.00
ALPHA-TOCOPHEROL (CAS# 59-02-9); (M+H)+
11297.33
19433.00
16349.00
ANTHRANILATE (CAS# 118-92-3); (M+H)+
-
4940.00
-
AZELAIC ACID (CAS# 123-99-9); (M+NA)+
34315.33
59962.00
71104.00
BENZYLAMINE (CAS# 100-46-9); (M+H)+
-
1982.00
1021.00
BETA-ALANINE (CAS# 107-95-9); (M+H)+
20025.50
18630.00
10797.00
BETAINE (CAS# 107-43-7); (M+H)+
2657614.33
2225894.00
1156230.67
BETAINE (CAS# 107-43-7); (M+NA)+
231258.67
14439.00
20820.33
BILIRUBIN (CAS# 635-65-4); (M+H)+[-H2O]
2978.00
-
-
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+H)+
19098.00
-
13500.00
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+NA)+
1412979.33
1135003.00
1256739.33
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3)...
7164.00
7187.00
-
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3)...
-
-
4143.00
CAFFEINE (CAS# 58-08-2); (M+NA)+
6065.00
25647.00
16632.50
CATECHOL (CAS# 120-80-9); (M+H)+
-
-
2651.00
CHOLATE (CAS# 81-25-4); (2M+H)+
3087.00
40196.00
223140.67
CHOLATE (CAS# 81-25-4); (2M+H)+[-H2O]
-
13499.00
77671.33
CHOLATE (CAS# 81-25-4); (2M+NA)+
23198.00
458007.00
3075505.00
CHOLATE (CAS# 81-25-4); (M+NA)+
242265.67
1199451.00
2242333.33
CHOLESTEROL (CAS# 57-88-5); (M+H)+[-H2O]
235428.33
292261.00
225384.67
CHOLINE (CAS# 62-49-7); M+
78720.67
24182.00
20917.33
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+H)+
4884.00
-
-
CIS-VACCENIC ACID (CAS# 506-17-2); (M+H)+
2929.67
3867.00
8225.00
CIS-VACCENIC ACID (CAS# 506-17-2); (M+K)+
-
-
3820.50
CIS-ZEATIN (CAS# 1637-39-4); (M+H)+
8063925.33
12100000.00
9345796.67
CITRAMALATE (CAS# 2306-22-1); (M+H)+
-
-
5953.00
CITRATE (CAS# 77-92-9); (M+NA)+
50623.67
91471.00
92008.33
CITRULLINE (CAS# 372-75-8); (M+NA)+
2708.00
-
2437.00
CORTICOSTERONE (CAS# 50-22-6); (M+H)+
26670.00
39298.00
40514.00
(-)-COTININE (CAS# 486-56-6); (M+H)+
60215.00
248604.00
284821.00
CREATINE (CAS# 57-00-1); (M+H)+
380747.00
-
308019.00
CYTIDINE (CAS# 65-46-3); (2M+H)+
6020.00
4572.00
2965.50
CYTIDINE (CAS# 65-46-3); (M+H)+
29115.33
11353.00
11752.67
CYTOSINE (CAS# 71-30-7); (M+H)+
33104.33
-
18101.00
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+NA)+
53527.67
16551.00
6562.00
DEBRISOQUIN (CAS# 581-88-4); (M+H)+
2476.50
-
2096.00
DECANOATE (CAS# 334-48-5); (2M+NA)+
6467.50
-
-
DEOXYCHOLIC ACID (CAS# 83-44-3); (2M+NA)+
-
-
94467.00
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+H)+
10996.00
-
7359.00
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+NA)+
25715.50
31684.00
277147.67
DEOXYCYTIDINE (CAS# 951-77-9); (2M+H)+
2572273.33
4811451.00
1064019.67
DEOXYCYTIDINE (CAS# 951-77-9); (2M+NA)+
48829.50
2275.00
-
DEOXYCYTIDINE (CAS# 951-77-9); (M+NA)+
25327.50
9456.00
-
DESMOSTEROL (CAS# 313-04-2); (M+H)+[-H2O]
-
-
2689.00
DGMP (CAS# 902-04-5); (M+H)+
1125.00
17421.00
14584.00
DIMETHYL MALEATE (CAS# 624-48-6); (M+NA)+
9002.50
24482.00
17543.00
DI-TERT-BUTYL DICARBONATE (CAS# 24424-99-5); (M+NA)+
21513.00
8580.00
18713.50
D-ORNITHINE (CAS# 348-66-3); (M+H)+
2027.00
1393.00
1956.00
EDTA (CAS# 60-00-4); (M+H)+
2878650.00
8789723.00
11534516.67
EDTA (CAS# 60-00-4); (M+NA)+
6229772.00
7395671.00
2491417.00
ELAIDIC ACID (CAS# 112-79-8); (M+H)+
2929.67
3867.00
8225.00
ELAIDIC ACID (CAS# 112-79-8); (M+NA)+
16980.00
23474.00
18452.67
EPINEPHRINE (CAS# 51-43-4); (M+H)+
-
-
1560.50
EPINEPHRINE (CAS# 51-43-4); (M+H)+[-H2O]
28710.50
-
-
ESTRADIOL-17BETA (CAS# 50-28-2); (M+NA)+
3965.00
-
3777.00
FRUCTOSE (CAS# 57-48-7); (M+NA)+
225000.33
89345.00
64398.33
GLUCOSE (CAS# 50-99-7); (M+NA)+
225000.33
30108.00
59954.67
GLUTAMATE (CAS# 56-86-0); (M+H)+[-H2O]
18275.00
-
-
GLUTAMINE (CAS# 56-85-9); (M+NA)+
3327.00
-
-
GLUTARATE (CAS# 110-94-1); (M+NA)+[-H2O]
-
-
2192.00
GLUTATHIONE (CAS# 27025-41-8); (M+H)+
3679.67
13866.00
5109.67
GLUTATHIONE (CAS# 27025-41-8); (M+H2)+2
4969.50
-
-
GLYCERALDEHYDE (CAS# 367-47-5); (2M+NA)+[-H2O]
-
-
36332.00
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+H)+
-
-
3322.00
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+H)+[-H2O]
3089.00
-
-
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+NA)+
2111.00
-
19919.00
GLYCOCHOLATE (CAS# 475-31-0); (2M+NA)+
-
-
5222.00
GLYCOCHOLATE (CAS# 475-31-0); (M+H)+
-
-
8233.00
GLYCOCHOLATE (CAS# 475-31-0); (M+H)+[-H2O]
-
-
27759.33
GLYCOCHOLATE (CAS# 475-31-0); (M+NA)+
1229145.33
2004304.00
985440.33
GUAIFENESIN (CAS# 93-14-1); (M+NA)+
-
219016.00
149290.00
GUANINE (CAS# 73-40-5); (M+H)+
85009.67
47826.00
45246.00
GUANINE (CAS# 73-40-5); (M+NA)+
4796.00
-
-
GUANOSINE (CAS# 118-00-3); (M+H)+
8092.00
-
-
HIPPURATE (CAS# 495-69-2); (M+H)+
122918.00
201954.00
148597.00
HIPPURATE (CAS# 495-69-2); (M+NA)+
305890.00
1046781.00
622768.00
HISTAMINE (CAS# 51-45-6); (M+H)+
2248.00
3346.00
2337.00
HOMOGENTISATE (CAS# 451-13-8); (M+H)+
155074.50
-
-
HOMOGENTISATE (CAS# 451-13-8); (M+NA)+
5822.00
-
-
HOMOVANILLATE (CAS# 306-08-1); (M+H)+
13609.00
-
-
HYODEOXYCHOLATE (CAS# 83-49-8); (M+NA)+
-
-
40780.50
INDOLE-3-ACETALDEHYDE (CAS# 2591-98-2); (M+H)+
52050.00
547710.00
350324.00
INDOLE-3-ACETATE (CAS# 87-51-4); (M+H)+
12327.33
28970.00
11833.00
INDOLE-3-ACETATE (CAS# 87-51-4); (M+NA)+
13168.50
28815.00
13331.50
INDOLE-3-ETHANOL (CAS# 526-55-6); (M+H)+
7359.50
12606.00
-
INOSINE (CAS# 58-63-9); (M+H)+
28625.00
-
-
INOSINE (CAS# 58-63-9); (M+NA)+
41158.00
9263.00
28476.00
ISOLEUCINE (CAS# 73-32-5); (M+H)+
8065297.67
18300000.00
22366666.67
ISOLEUCINE (CAS# 73-32-5); (M+NA)+
66772.00
68741.00
110680.67
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+NA)+
16560.33
32201.00
22431.00
KYNURENINE (CAS# 343-65-7); (M+H)+
181759.33
582192.00
224648.00
KYNURENINE (CAS# 343-65-7); (M+NA)+
29329.00
90959.00
36994.00
L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+[-H2O]
-
-
26339.50
LANOSTEROL (CAS# 79-63-0); (M+NA)+
49359.00
77070.00
-
L-ARGININE (CAS# 74-79-3); (M+H)+
67919.00
-
-
L-CARNITINE (CAS# 541-15-1); (M+H)+
1596934.00
90243.00
966288.67
LEUCINE (CAS# 328-39-2); (M+H)+
8065297.67
18300000.00
22366666.67
LEUCINE (CAS# 328-39-2); (M+NA)+
66772.00
59492.00
112894.00
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+[-H2O]
-
5540.00
1330.00
LEVORPHANOL (CAS# 77-07-6); (M+H)+
-
-
4697.00
LITHOCHOLIC ACID (CAS# 434-13-9); (M+NA)+
4150.00
2409.00
6754.00
L-ORNITHINE (CAS# 70-26-8); (M+H)+
2027.00
1393.00
1956.00
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M+H)+
436393.33
812624.00
599868.00
LYSINE (CAS# 56-87-1); (M+H)+
17498.00
8776.00
4601.33
LYSINE (CAS# 56-87-1); (M+NA)+
2741.00
1658.00
-
MELATONIN (CAS# 73-31-4); (M+NA)+
-
-
8575.50
METHIONINE (CAS# 63-68-3); (M+H)+
1765529.33
982188.00
963866.00
METHYL JASMONATE (CAS# 1211-29-6); (M+NA)+
39909.67
44981.00
39245.67
METHYLMALONATE (CAS# 516-05-2); (M+NA)+
-
-
1288.00
MEVALONIC ACID (CAS# 674-26-0); (M+NA)+
-
-
2412.00
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M+H)+[-H2O]
1977.00
4056.00
-
MYO-INOSITOL (CAS# 87-89-8); (M+NA)+
40602.67
32496.00
49818.33
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+NA)+
3846.50
-
11042.00
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+NA)+
5885.00
-
10604.00
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+[-H2O]
20667.33
13144.00
16493.00
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+NA)+
13194.00
6486.00
8929.67
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+H)+
-
2057.00
-
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+NA)+
3717.00
8322.00
2833.33
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+H)+
1798.50
2796.00
23420.00
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+NA)+
35712.00
61612.00
344553.50
N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M+H)+
12854.00
7814.00
6861.00
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (2M+H)+
-
-
1202.00
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+H)+
9774.00
12407.00
10776.00
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+NA)+
20509.33
18944.00
21870.00
NICOTINAMIDE (CAS# 98-92-0); (M+H)+
244253.67
321445.00
132599.00
NICOTINATE (CAS# 59-67-6); (M+H)+
1608.00
-
3060.00
N-METHYLANILINE (CAS# 100-61-8); (M+H)+
-
1934.00
1021.00
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+NA)+
135176.00
170474.00
69413.33
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+NA)+[-H2O]
-
-
3246.00
N-METHYLNICOTINATE (CAS# 535-83-1); (M+H)+
-
40984.00
62858.67
NORADRENALINE (CAS# 51-41-2); (M+H)+[-H2O]
7579.33
-
3554.50
NORLEUCINE (CAS# 327-57-1); (M+H)+
13033333.33
18300000.00
22366666.67
NORMETANEPHRINE (CAS# 0); (M+H)+[-H2O]
2242082.67
2338898.00
2384081.00
NORVALINE (CAS# 6600-40-4); M+[-CO2H]
778570.33
505536.00
1272191.00
NORVALINE (CAS# 6600-40-4); (M+H)+
2994817.33
2253976.00
3423212.00
N(PAI)-METHYL-L-HISTIDINE (CAS# 332-80-9); (M+H)+
1558.00
4980.00
-
O-ACETYLCARNITINE (CAS# 461-77-8); (M+H)+
3607371.33
9448090.00
8907562.33
OLEIC ACID (CAS# 112-80-1); (M+NA)+
67818.00
70181.00
69554.33
OPHTHALMIC ACID (CAS# 495-27-2); (M+H)+
-
1418.00
7161.00
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+2H)+2
4969.50
-
-
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+H)+
3679.67
13866.00
5109.67
PALMITOYLCARNITINE (CAS# 2364-67-2); (M+H)+
25879.00
42271.00
51306.33
PANTOTHENATE (CAS# 79-83-4); (M+H)+
210691.00
698758.00
318606.67
PANTOTHENATE (CAS# 79-83-4); (M+NA)+
509981.33
1886705.00
913789.33
PARAXANTHINE (CAS# 611-59-6); (M+NA)+
29080.00
143607.00
123791.00
PHENYLALANINE (CAS# 63-91-2); (M+H)+
1611841.33
884815.00
1978790.00
PHENYLALANINE (CAS# 63-91-2); (M+NA)+
56777.50
21534.00
51218.00
PHENYLEPHRINE (CAS# 59-42-7); (M+H)+
24981.00
33177.00
5641.00
PHENYLETHANOLAMINE (CAS# 7568-93-6); (M+H)+
31832.50
47300.00
29592.33
PHTHALATE (CAS# 88-99-3); (M+H)+
10959.00
23035.00
15730.00
PHTHALATE (CAS# 88-99-3); (M+NA)+
-
-
2188.50
PICOLINIC ACID (CAS# 98-98-6); (M+H)+
1608.00
-
2928.00
PIPECOLATE (CAS# 535-75-1); (M+H)+
62924.67
3527.00
-
PIPECOLATE (CAS# 535-75-1); (M+NA)+
7917.67
-
2255.33
PROLINE (CAS# 147-85-3); (M+H)+
270975.00
135366.00
108237.00
PROLINE (CAS# 147-85-3); (M+NA)+
-
-
3790.00
PURINE (CAS# 120-73-0); (M+H)+
1054162.67
644010.00
634351.00
PURINE (CAS# 120-73-0); (M+NA)+
70293.50
61666.00
27055.00
PYRIDOXAL (CAS# 66-72-8); (M+H)+
54441.33
1001.00
11409.00
PYRIDOXAL PHOSPHATE (CAS# 853645-22-4); (2M+H)+
6834.00
2681.00
4688.67
QUINOLIN-2-OL (CAS# 59-31-4); (M+H)+
41589.33
41455.00
60391.00
QUINOLIN-2-OL (CAS# 59-31-4); (M+NA)+
92331.67
79346.00
135868.67
RAFFINOSE (CAS# 512-69-6); (M+NA)+
1094.00
-
-
RIBOFLAVIN (CAS# 83-88-5); (M+NA)+
1554.00
-
2817.50
RIBOSE (CAS# 50-69-1); (M+NA)+
53527.67
16551.00
6562.00
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+H)+
6121.33
20633.00
24646.50
(-)-SALSOLINOL (CAS# 27740-96-1); (M+H)+
40828.00
63386.00
49798.67
SARCOSINE (CAS# 107-97-1); (M+H)+
20025.50
18630.00
10797.00
SERINE (CAS# 56-45-1); (M+H)+
8120.00
-
2142.00
SEROTONIN (CAS# 50-67-9); (M+H)+
60215.00
248604.00
284821.00
SHIKIMATE (CAS# 138-59-0); (M+H)+[-H2O]
-
-
2289.00
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+H)+
80345.00
58236.00
127970.00
SPERMIDINE (CAS# 124-20-9); (M+H)+
233084.67
31318.00
18712.33
SQUALENE (CAS# 111-02-4); (M+K)+
-
-
2266.00
SUBERIC ACID (CAS# 505-48-6); (M+NA)+
18273.00
35740.00
26150.50
TAUROCHENODEOXYCHOLATE (CAS# 516-35-8); (M+NA)+
-
1193.00
7830.00
TAUROCHOLATE (CAS# 81-24-3); (M+NA)+
16072.00
3764.00
-
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+NA)+
-
-
17179.00
THEOBROMINE (CAS# 83-67-0); (M+NA)+
60061.00
185052.00
169796.00
THEOPHYLLINE (CAS# 58-55-9); (M+NA)+
37384.50
6490.00
121680.50
THIAMIN (CAS# 59-43-8); M+
4139.00
1686.00
1469.00
THREONINE (CAS# 72-19-5); (M+H)+[-H2O]
15978.00
-
22633.33
THYMIDINE (CAS# 50-89-5); (M+NA)+
116886.33
298290.00
166044.00
TRIBUTYRIN (CAS# 60-01-5); (M+NA)+
-
-
1097.00
TRIMETHYLAMINE (CAS# 75-50-3); (M+H)+
-
-
8366.00
TRYPTOPHANAMIDE (CAS# 20696-57-5); (M+H)+
-
-
15058.00
TRYPTOPHAN (CAS# 73-22-3); (M+H)+
4121512.00
9096288.00
4082644.00
TRYPTOPHAN (CAS# 73-22-3); (M+NA)+
1646252.00
3068789.00
1413816.67
TYROSINE (CAS# 60-18-4); (M+H)+
5473503.00
6115757.00
4634979.00
TYROSINE (CAS# 60-18-4); (M+NA)+
125563.00
-
105774.00
URATE (CAS# 69-93-2); (M+H)+
17871.00
16611.00
10584.67
URIDINE (CAS# 58-96-8); (M+NA)+
20066.00
13342.00
3150.00
UROCANATE (CAS# 104-98-3); (M+H)+
146717.00
19837.00
48691.00
URSODIOL (CAS# 128-13-2); (M+NA)+
24872.00
31684.00
277147.67
VALINE (CAS# 72-18-4); (M+H)+
2722578.00
2249151.00
3416696.67
VALINE (CAS# 72-18-4); (M+NA)+
145379.00
14439.00
20820.33
XANTHOSINE (CAS# 146-80-5); (M+H)+
1098.00
-
-
XANTHOSINE (CAS# 146-80-5); (M+NA)+
2773.33
7465.00
4035.00
ZEATIN [ISTD] (CAS# 13114-27-7); (M+H)+
8063925.33
12100000.00
9345752.67
Factors:
F1
Days post-STZ:-
F2
Days post-STZ:3
F3
Days post-STZ:30
F4
Days post-STZ:POOLED
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