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Data for ST000756
(Analysis AN001186):
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-H)-
-
6251.50
-
11-DEOXYCORTISOL (CAS# 152-58-9); (M+CL)-
47928.33
107220.67
90062.67
11-DEOXYCORTISOL (CAS# 152-58-9); (M+HCOO)-
216009.00
573208.33
405231.67
16:0-18:0 PC (CAS# 59403-51-9); (M+CL)-
3440.00
6223.00
6209.00
16:0 LYSO PC (CAS# 17364-16-8); (M+CL)-
27279.67
25664.33
26040.67
16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)-
901622.33
944381.33
854943.67
18:0 LYSO-PE (CAS# 69747-55-3); (M-H)-
68030.67
77600.33
114699.67
1-METHYLADENOSINE (CAS# 15763-06-1); (M+CL)-
1881.00
-
13037.00
1-METHYLURIC ACID (CAS# 708-79-2); (M-H)-
8392.00
-
36039.00
20:0 LYSO PC (CAS# 108341-80-6); (M+CL)-
-
1287.00
-
20:0 LYSO PC (CAS# 108341-80-6); (M+HCOO)-
13946.50
14823.67
14218.00
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+CL)-
216871.50
-
-
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+HCOO)-
23639.00
1981.00
-
2^-DEOXYGUANOSINE (CAS# 961-07-9); (M-H)-
-
-
5120.00
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (M-H)-
81720.67
198331.33
1230324.00
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (CAS# 583-91-5); (M-H)-
4792.50
-
26282.50
2-HYDROXYBUTYRATE (CAS# ); (M-H)-
39629.00
118189.00
171894.00
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)-
46985.00
70718.33
136931.67
2-METHYLMALEATE (CAS# 498-23-7); (M-H)-
39928.67
62575.67
23052.67
2-OXOADIPATE (CAS# 3184-35-8); (M-H)-
46386.00
21816.00
-
3-(2-HYDROXYPHENYL)PROPANOATE (CAS# 495-78-3); (M-H)-
21781.00
23979.00
13972.00
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)-
98450.00
223022.00
125176.67
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2); (M+CL)-...
6661.00
-
3740.00
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)-
139405.00
330487.00
969477.67
3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M-H)-
61754.00
15879.33
25272.00
3-HYDROXYBENZOATE (CAS# 99-06-9); (M-H)-
4185.33
4512.00
5936.00
3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M-H)-
1348.00
2055.00
1428.00
3-HYDROXYPYRUVIC ACID (CAS# 1113-60-6); (M-H)-
37331.67
18995.50
30410.00
3-METHOXYTYROSINE (CAS# 4214-13-5); (M-H)-
1911.00
4080.50
-
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M-H)-
48223.00
70718.33
137927.00
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M-H)-
23102.67
29186.33
31545.33
3-NITRO-L-TYROSINE (CAS# 621-44-3); (M-H)-
2806.00
52731.00
-
3-PHOSPHOGLYCERATE (CAS# ); (M-H)-
-
1147.00
-
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M-H)-
16872.33
-
-
4-ACETAMINOPHEN SULFATE (CAS# 32113-41-0); (M-H)-
1363.00
-
-
4-COUMARATE (CAS# 501-98-4); (M-H)-
12966.67
11920.33
20416.67
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC ACID (CAS# 4...
7828.00
12686.50
-
4-HYDROXYBENZALDEHYDE (CAS# 123-08-0); (M-H)-
61754.00
16338.33
25546.67
4-HYDROXYBENZOATE (CAS# 99-96-7); (M-H)-
7994.33
4627.00
13963.00
4-HYDROXYPHENYLACETATE (CAS# 156-38-7); (M-H)-
1646.00
3339.00
6203.00
4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)-
1466892.67
2818790.33
2737080.67
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)-
1466697.33
2818501.00
2736856.33
4-NITROCATECHOL (CAS# 3316-09-4); (M-H)-
32294.00
-
23245.00
4-NITROPHENOL (CAS# 100-02-7); (M-H)-
49144.00
24392.33
71288.67
4-PYRIDOXATE (CAS# 82-82-6); (M-H)-
362531.00
585585.67
358936.33
5-AMINOPENTANOATE (CAS# 660-88-8); (M-H)-
5105.00
8785.50
11786.00
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M-H)-
10026.50
34273.50
18160.50
5-METHYLTETRAHYDROFOLATE (CAS# 134-35-0); (M-H)-
8136.00
-
-
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)-
3778.00
8292.00
6863.50
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+HCOO)-
2165.00
4840.00
5565.00
5-OXOPROLINE (CAS# 4042-36-8); (M-H)-
689461.00
-
-
5-VALEROLACTONE (CAS# 542-28-9); (M+HCOO)-
19127.33
137733.00
202924.50
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M-H)-
23102.67
29186.33
32299.00
ACETOACETATE (CAS# 541-50-4); (M-H)-
21582.67
27388.67
29957.67
ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (M-H)-
-
105823.33
44276.50
ADENOSINE 5^-PHOSPHOSULFATE (CAS# 485-84-7); (M-H)-
1007.00
4220.67
1920.50
ADIPIC ACID (CAS# 124-04-9 ); (M-H)-
48223.00
70718.33
137927.00
ALLANTOIN (CAS# 97-59-6); (M-H)-
164858.00
43353.00
107847.00
ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O]
166562.50
330487.00
969477.67
ALPHA-HYDROXYISOBUTYRIC ACID (CAS# 594-61-6); (M-H)-
39629.00
118189.00
171894.00
ALPHA-KETO-GLUTARATE (CAS# 328-50-7); (M-H)-
182433.00
119109.50
160573.00
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)-
72838.67
78679.50
120035.50
ARACHIDIC ACID (CAS# 506-30-9); (M-H)-
-
-
2049.00
ARACHIDONATE (CAS# 506-32-1); (M-H)-
867487.67
1026284.67
1225775.67
AZELAIC ACID (CAS# 123-99-9); (M-H)-
92180.67
729474.00
144698.33
BEHENIC ACID (CAS# 112-85-6); (M-H)-
-
-
1419.00
BENZALDEHYDE (CAS# 100-52-7); (M+HCOO)-
-
3339.00
6203.00
BENZOATE (CAS# 65-85-0); (M-H)-
61754.00
15832.33
24956.33
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (CAS# 584-85-0); (M-H)...
1437.00
-
-
BETA-CAROTENE (CAS# 7235-40-7); (M-H)-
-
1586.00
-
BETA-MALTOSE (CAS# 69-79-4); (M+CL)-
79195.00
-
-
BETA-MALTOSE (CAS# 69-79-4); (M+HCOO)-
-
2138.50
-
BIOTIN (CAS# 58-85-5); (M-H)-
6902.67
11038.00
34857.00
BOC-LYS-OH (CAS# 13734-28-6); (M-H)-
1337.00
3092.00
-
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3)...
9865.00
11656.00
12768.00
CATECHOL (CAS# 120-80-9); (M-H)-
22662.67
46547.50
38082.33
CELLOBIOSE (CAS# 528-50-7); (M+CL)-
79195.00
-
-
CHOLATE (CAS# 81-25-4); (2M-H)-
85409.00
723622.33
4747556.33
CHOLATE (CAS# 81-25-4); (M+CL)-
64106.67
208654.67
843931.67
CHOLATE (CAS# 81-25-4); (M-H)-
1216033.00
3218110.00
6748373.00
CINNAMIC ACID (CAS# 140-10-3); (M-H)-
1190.00
-
-
CIS-11-EICOSENOIC ACID (CAS# 5561-99-9); (M-H)-
5254.67
7379.00
12778.00
CIS-ACONITATE (CAS# 585-84-2); (M-H)-
1264668.50
2270686.33
2228578.00
CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)-
205298.33
432223.33
441702.00
CIS-ZEATIN (CAS# 1637-39-4); (M+CL)-
2043007.33
2694126.33
2540603.33
CIS-ZEATIN (CAS# 1637-39-4); (M-H)-
3677087.67
5045461.00
4472928.33
CITRAMALATE (CAS# 2306-22-1); (M-H)-
125054.00
186949.33
273886.67
CITRATE (CAS# 77-92-9); (M-H)-
5896364.00
14766666.67
14366666.67
CITRULLINE (CAS# 372-75-8); (M-H)-
124408.67
59528.00
131343.33
CORTICOSTERONE (CAS# 50-22-6); (M+CL)-
47708.00
106779.00
89868.67
CORTICOSTERONE (CAS# 50-22-6); (M+HCOO)-
216110.67
573351.33
405342.67
CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+HCOO)-
92166.67
729244.00
144830.33
CYTIDINE 5^-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+CL)-
-
2533.50
-
CYTIDINE (CAS# 65-46-3); (M+CL)-
4174.00
-
-
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+HCOO)-
314780.33
131364.33
295108.00
DECANOATE (CAS# 334-48-5); (M-H)-
-
1249.00
-
DEHYDROASCORBATE (CAS# 490-83-5); (M+CL)-
71053.00
-
4060.67
DEHYDROASCORBATE (CAS# 490-83-5); (M-H)-
1144866.00
2658870.67
3180476.33
DEHYDROASCORBATE (CAS# 490-83-5); (M+HCOO)-
-
4476.50
-
DEOXYADENOSINE (CAS# 16373-93-6); (M+CL)-
15841.50
22263.33
40647.33
DEOXYCHOLIC ACID (CAS# 83-44-3); (2M-H)-
3474.00
6644.00
112064.33
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+CL)-
3988.00
4606.00
37177.33
DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)-
121969.00
162400.00
1049823.67
DEOXYCYTIDINE (CAS# 951-77-9); (M+CL)-
45939.00
41988.00
22315.50
DEOXYCYTIDINE (CAS# 951-77-9); (M+HCOO)-
7662.00
-
2757.00
DEOXYURIDINE (CAS# 951-78-0); (M+CL)-
236391.00
558517.50
359266.00
DEOXYURIDINE (CAS# 951-78-0); (M-H)-
29665.67
45991.33
17785.50
DEOXYURIDINE (CAS# 951-78-0); (M+HCOO)-
36563.33
61805.00
-
DGMP (CAS# 902-04-5); (M-H)-
-
98629.00
86399.00
DIACETYL (CAS# 431-03-8); (M+HCOO)-
46807.50
40671.00
53648.67
D-LYXOSE (CAS# 1114-34-7); (M+CL)-
5763.50
-
3363.50
D-LYXOSE (CAS# 1114-34-7); (M-H)-
34121.33
44583.67
39023.00
D-LYXOSE (CAS# 1114-34-7); (M+HCOO)-
310416.67
176266.50
297326.00
DOCOSAHEXAENOIC ACID (CAS# 6217-54-5 ); (M-H)-
354488.67
468493.67
810766.00
D-ORNITHINE (CAS# 348-66-3); (M-H)-
44863.50
21393.33
42449.33
D-PSICOSE (CAS# 551-68-8); (M+CL)-
20266666.67
19200000.00
24733333.33
D-TAGATOSE (CAS# 87-81-0); (M+CL)-
20266666.67
19200000.00
24700000.00
DUMP (CAS# 964-26-1); (M-H)-
7755.00
-
-
EDTA (CAS# 60-00-4); (M-H)-
7818126.00
32100000.00
4846372.50
ELAIDIC ACID (CAS# 112-79-8); (M-H)-
205298.33
432223.33
441702.00
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+CL)-
1011282.33
1522498.67
1347779.33
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+HCOO)-
7881157.33
11501355.33
10032025.67
ERUCIC ACID (CAS# 112-86-7); (M-H)-
1625.00
1548.33
1575.67
ETHANOLAMINE PHOSPHATE (CAS# 1071-23-4); (M-H)-
-
36861.00
33278.00
ETHYLMALONIC ACID (CAS# 601-75-2); (M-H)-
70722.00
34041.33
21113.00
FRUCTOSE (CAS# 57-48-7); (M+CL)-
20266666.67
19200000.00
24700000.00
FRUCTOSE (CAS# 57-48-7); (M+HCOO)-
51210.00
213724.00
112639.33
FUMARATE (CAS# 110-17-8); (M-H)-
33633.67
23407.00
46617.00
GALACTARATE (CAS# 526-99-8); (M-H)-
-
9994.00
12889.67
GALACTURONIC ACID (CAS# 91510-62-2); (M-H)-
10047.00
9238.50
-
GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+HCOO)-
46807.50
40927.33
53658.67
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+HCOO)-
72838.67
78717.50
120035.50
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M-H)-
18250.67
54092.00
31646.67
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+CL)-
52751.67
75600.33
66545.33
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M-H)-
718093.00
1111343.33
944874.00
GLUCARIC ACID (CAS# 87-73-0); (M-H)-
-
9994.00
12889.67
GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2O]
4769613.67
15033333.33
18966666.67
GLUCONIC ACID (CAS# 526-95-4); (M-H)-
314780.33
131364.33
295108.00
GLUCOSE (CAS# 50-99-7); (2M+CL)-[-H2O]
81598.00
-
-
GLUCOSE (CAS# 50-99-7); (2M+HCOO)-[-H2O]
-
2318.00
-
GLUCOSE (CAS# 50-99-7); (M+CL)-
20266666.67
19200000.00
24700000.00
GLUCURONIC ACID (CAS# 6556-12-3); (M+CL)-
-
-
4588.00
GLUCURONIC ACID (CAS# 6556-12-3); (M-H)-
10047.00
6846.00
-
GLUTAMINE (CAS# 56-85-9); (M-H)-
320126.50
146217.67
185242.67
GLUTARATE (CAS# 110-94-1); (M-H)-
44637.00
40927.33
53658.67
GLUTATHIONE (CAS# 27025-41-8); (M-H)-
9077.67
21724.00
8580.33
GLYCERALDEHYDE (CAS# 367-47-5); (2M-H)-[-H2O]
139405.00
330487.00
969477.67
GLYCERATE (CAS# 473-81-4); (M-H)-
7405.33
6871.00
5436.00
GLYCEROL 2-PHOSPHATE (CAS# ); (M-H)-
9922.00
-
-
GLYCINE (CAS# 56-40-6); (M-H)-
7035.00
-
-
GLYCOCHOLATE (CAS# 475-31-0); (2M-H)-
-
-
15540.00
GLYCOCHOLATE (CAS# 475-31-0); (M-H)-
130112.00
186917.00
1549586.67
GLYOXYLATE (CAS# 298-12-4); (M-H)-
-
-
1413.00
GUANINE (CAS# 73-40-5); (M-H)-
1815.00
-
-
GUANOSINE 5^-PHOSPHATE (CAS# 85-32-5); (2M-H)+
286287.00
240101.00
285941.00
GUANOSINE 5^-PHOSPHATE (CAS# 85-32-5); (M-H)-
4660.00
5340.00
3367.00
GUANOSINE (CAS# 118-00-3); (M+CL)-
-
1169.00
-
HEPTADECANOATE (CAS# 506-12-7); (M-H)-
4174.67
4943.33
10170.67
HEXACOSANOIC ACID (CAS# 506-46-7); (M-H)-
-
1065.00
-
HIPPURATE (CAS# 495-69-2); (M-H)-
1164066.67
1732283.00
1672592.00
HOMOVANILLATE (CAS# 306-08-1); (M-H)-
-
1576.00
-
HYODEOXYCHOLATE (CAS# 83-49-8); (M-H)-
712190.67
403609.33
464995.33
HYPOTAURINE (CAS# 300-84-5); (M-H)-
-
-
1828.00
INDOLE-3-ACETATE (CAS# 87-51-4); (M-H)-
4759.50
5809.00
4289.00
INOSINE 5^-DIPHOSPHATE (CAS# 86-04-4); (M-H)-
192286.00
109693.50
186409.33
INOSINE (CAS# 58-63-9); (M+CL)-
18211.00
-
24110.00
INOSINE (CAS# 58-63-9); (M-H)-
58656.00
15018.00
24324.00
ISOCITRATE (CAS# 320-77-4); (M-H)-
4870112.67
15233333.33
19400000.00
ISOLEUCINE (CAS# 73-32-5); (M-H)-
433290.00
522347.50
497648.67
ITACONATE (CAS# 97-65-4); (M-H)-
42493.50
62575.67
24041.00
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (2M-H)-
30081.00
93381.33
54568.50
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M-H)-
2499970.00
4224369.00
3335857.33
KYNURENINE (CAS# 343-65-7); (M-H)-
33982.00
-
-
L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M-H)-
209254.00
313965.33
274189.67
LACTOSE (CAS# 63-42-3); (M+CL)-
79195.00
-
-
LACTOSE (CAS# 63-42-3); (M-H)-
-
5840.00
7796.00
LANTHIONINE (CAS# 3183-08-2); (M-H)-
2620.00
-
9077.00
L-ARGININE (CAS# 74-79-3); (M-H)-
12284.00
12621.00
10024.00
L-ARGININE-(GUANIDINEIMINO-15N2) [ISTD] (CAS# ); (M-H)-
2104.00
2165.00
1935.00
LAURIC ACID (CAS# 143-07-7); (M-H)-
-
4043.00
1886.00
LEUCINE (CAS# 328-39-2); (M-H)-
433290.00
523973.50
496785.00
LEUKOTRIENE B4 (CAS# 71160-24-2); (M-H)-
1677.00
12464.00
56668.50
L-GULONATE (CAS# 6322-07-2); (M+CL)+[-H2O]
-
1665.00
1333.00
L-GULONATE (CAS# 6322-07-2); (M-H)-
310369.67
127930.33
295108.00
L-GULONATE (CAS# 6322-07-2); (M-H)+[-H2O]
16284.00
12817.50
32748.67
L-HISTIDINE (CAS# 71-00-1); (M-H)-
69258.67
52853.00
72828.33
LIGNOCERIC ACID (CAS# 557-59-5); (M-H)-
3403.33
3697.67
3664.67
LINOLEATE (CAS# 60-33-3); (M-H)-
327222.33
406166.00
691295.67
L-METHIONINE SULFOXIMINE (CAS# 15985-39-4); (M-H)-
1201.00
-
-
L-ORNITHINE (CAS# 70-26-8); (M-H)-
44863.50
21393.33
42449.33
L-RHAMNOSE (CAS# 10030-85-0); (M+CL)-
218569.00
-
-
L-RHAMNOSE (CAS# 10030-85-0); (M+HCOO)-
23639.00
2971.00
-
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M-H)-
218368.33
337100.33
247560.67
LYSINE (CAS# 56-87-1); (M-H)-
15901.00
24511.00
20424.00
MALATE (CAS# 97-67-6); (M-H)-
367685.33
477875.33
370128.33
MALEIC ACID (CAS# 110-16-7); (M-H)-
77684.33
44170.67
45217.33
MALONATE (CAS# 141-82-2); (M-H)-
37429.33
18995.50
30410.00
MALONIC ACID-D4 (CAS# 813-56-9); (M-H)-
37429.33
18995.50
30410.00
MALTOSE (CAS# 69-79-4); (M+CL)-
79195.00
-
-
MALTOSE (CAS# 69-79-4); (M+HCOO)-
-
2138.50
-
MANDELIC ACID (CAS# 611-71-2); (M-H)-
2810.67
4161.00
7138.33
MELIBIOSE (CAS# 585-99-9); (M+CL)-
79195.00
-
-
MELIBIOSE (CAS# 585-99-9); (M+HCOO)-
-
2138.50
-
METHIONINE (CAS# 63-68-3); (M-H)-
56315.67
-
-
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+CL)-
-
14874.00
-
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+HCOO)-
2437.00
5648.00
5619.00
METHYLMALONATE (CAS# 516-05-2); (M-H)-
292837.00
197436.33
448555.33
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M-H)-
48039.33
70718.33
137927.00
MYRISTIC ACID (CAS# 544-63-8); (M-H)-
10055.67
11414.33
12595.00
MYRISTOLEIC ACID (CAS# 544-64-9); (M-H)-
2574.67
3834.67
4207.00
N1-ACETYLSPERMINE (CAS# 77928-70-2); (M+CL)-
1807.00
-
-
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+CL)-
174090.00
49388.50
53461.00
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M-H)-
15156.00
-
-
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+CL)-
174090.00
49388.50
53461.00
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M-H)-
17593.67
31561.33
22906.33
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+CL)-
174090.00
49388.50
53461.00
N-ACETYLGLYCINE (CAS# 543-24-8); (M-H)-
9572.00
-
30740.50
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M-H)-
70379.00
-
-
N-ACETYL-L-CYSTEINE (CAS# 616-91-1); (M-H)-
-
17489.00
-
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M-H)-
52471.00
96472.33
479280.00
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M-H)-
36538.00
47451.00
86712.33
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M-H)-
41228.00
23268.00
15240.33
NAD (CAS# 53-84-9); (M-H)-
-
-
1022.00
NERVONIC ACID (CAS# 506-37-6); (M-H)-
5030.00
5888.67
6379.00
NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDE (CAS# 22052-73-9); (M...
-
1393.00
-
NICOTINATE (CAS# 59-67-6); (M-H)-
9219.50
1492.50
-
N-NITROSODIETHANOLAMINE (CAS# 1116-54-7); (M+CL)-
2320.50
-
8388.00
N-OLEOYLGLYCINE (CAS# 2601-90-3); (2M-H)-
-
1628.00
-
NORLEUCINE (CAS# 327-57-1); (M-H)-
431457.67
420318.50
478401.33
OLEIC ACID (CAS# 112-80-1); (M-H)-
205793.00
432223.33
441677.00
OMEGA-HYDROXYDODECANOIC ACID (CAS# 505-95-3); (M-H)-
-
1454.00
3436.33
OROTATE (CAS# 65-86-1); (M-H)-
13073.50
-
-
OXALOACETATE (CAS# 328-42-7); (M-H)-[-H2O]
13201.00
-
-
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-H)-
9077.67
21724.00
8580.33
PALATINOSE (CAS# 343336-76-5); (M+CL)-
79195.00
-
-
PALATINOSE (CAS# 343336-76-5); (M+HCOO)-
-
2138.50
-
PALMITATE (CAS# 57-10-3); (M-H)-
77539.33
96468.33
141907.67
PALMITOLEIC ACID (CAS# 373-49-9); (M-H)-
49289.00
74659.00
75691.67
PANTOTHENATE (CAS# 79-83-4); (M+CL)-
30322.67
98413.00
60745.67
PANTOTHENATE (CAS# 79-83-4); (M-H)-
583854.33
1048503.67
982934.00
PHENYL ACETATE (CAS# 122-79-2); (M-H)-
-
2631.00
-
PHENYL ACETATE (CAS# 122-79-2); (M+HCOO)-
98450.00
223022.00
125176.67
PHENYLALANINE (CAS# 63-91-2); (M-H)-
1193044.33
1399557.33
1028670.67
PHENYLPYRUVATE (CAS# 156-06-9); (M-H)-
3700.00
5781.67
10747.67
PHOSPHOCREATINE (CAS# 67-07-2); (M-H)-
-
6095.00
-
PHTHALATE (CAS# 88-99-3); (M-H)-
16986.50
4117.50
28547.00
PICOLINIC ACID (CAS# 98-98-6); (M-H)-
9219.50
1640.00
-
PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (M-H)-
-
2128.00
-
PROSTAGLANDIN E2 (CAS# 363-24-6); (M-H)-
-
1636.00
-
PURINE (CAS# 120-73-0); (M-H)-
1871479.50
1343250.00
1003893.50
PYRUVATE (CAS# 127-17-3); (M-H)-
34753.00
-
-
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+CL)-
16983.00
-
33824.00
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+HCOO)-
-
-
2194.00
RAFFINOSE (CAS# 512-69-6); (M+CL)-
4765.50
1947.00
1353.00
RETINOATE (CAS# 302-79-4); (M-H)-
3678.00
3162.00
4060.67
RIBOFLAVIN (CAS# 83-88-5); (M+CL)-
-
2875.33
-
RIBOFLAVIN (CAS# 83-88-5); (M-H)-
-
3529.00
2227.00
RIBOFLAVIN (CAS# 83-88-5); (M+HCOO)-
-
5305.33
3079.00
RIBOSE 5-PHOSPHATE (CAS# 4300-28-1); (M-H)-
-
3808.00
-
RIBOSE (CAS# 50-69-1); (M+CL)-
5763.50
-
3363.50
ROSMARINIC ACID (CAS# 20283-92-5); (M-H)-
-
6111.00
4888.00
(S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROPANOATE OR ...
-
4850.00
-
(S)-3-METHYL-2-OXOPENTANOATE (CAS# 1460-34-0); (M-H)-
803530.00
1834972.00
1947854.33
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M-H)-
23794.33
11714.50
27516.50
SALICYLATE (CAS# 69-72-7); (M-H)-
84034.33
171391.33
285445.00
SALICYLURIC ACID (CAS# 487-54-7); (M-H)-
-
-
5223.00
(S)-DIHYDROOROTATE (CAS# 5988-19-2); (M-H)-
2333.50
-
-
SEBACIC ACID (CAS# 111-20-6); (M-H)-
29684.33
18656.67
20390.00
SERINE (CAS# 56-45-1); (M-H)-
10838.67
9994.00
13004.00
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+HCOO)-
5999.00
-
-
STACHYOSE (CAS# 54261-98-2); (M+CL)-
3432.00
-
-
STEARATE (CAS# 57-11-4); (M-H)-
65574.00
81455.67
126407.33
SUBERIC ACID (CAS# 505-48-6); (M-H)-
61064.50
142988.67
92037.67
SUCCINATE (CAS# 110-15-6); (M-H)-
398506.33
307756.67
448555.33
SUCROSE (CAS# 57-50-1); (M+CL)-
79195.00
-
-
SUCROSE (CAS# 57-50-1); (M+HCOO)-
-
2138.50
-
TAURINE (CAS# 107-35-7); (M-H)-
138573.00
144794.00
152148.00
TEREPHTHALATE (CAS# 100-21-0); (M-H)-
29980.00
-
24215.50
THROMBOXANE B2 (CAS# 54397-85-2); (M-H)-
-
-
15156.50
THROMBOXANE B2 (CAS# 54397-85-2); (M-H)-[-H2O]
-
1636.00
2143.00
THYMIDINE (CAS# 50-89-5); (M+CL)-
345152.00
997279.33
649329.33
THYMIDINE (CAS# 50-89-5); (M-H)-
73747.67
132189.33
103300.00
THYMIDINE (CAS# 50-89-5); (M+HCOO)-
136594.67
243099.00
185262.00
THYMINE (CAS# 65-71-4); (M-H)-
-
-
1485.00
THYROXINE (CAS# 51-48-9); (M-H)-
5640.33
9370.50
8553.00
TRANS-ACONITATE (CAS# 4023-65-8); (M-H)-
1264668.50
2237373.00
2192840.67
TRANS-VACCENIC ACID (CAS# 693-72-1); (M-H)-
205793.00
432223.33
441677.00
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-
61744.00
125804.67
1586807.67
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-[-H2O]
65681.67
85346.00
339636.67
TRICOSANOIC ACID (CAS# 2433-96-7); (M-H)-
-
1045.00
-
TRYPTOPHAN (CAS# 73-22-3); (M-H)-
2108135.67
3234117.67
1945398.50
TYROSINE (CAS# 60-18-4); (M-H)-
668963.67
727268.67
545678.67
URATE (CAS# 69-93-2); (M-H)-
709029.00
551662.00
490860.33
URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M-H)-
-
-
3508.00
URIDINE (CAS# 58-96-8); (M+CL)-
406233.67
429041.67
187790.67
URIDINE (CAS# 58-96-8); (M-H)-
85982.33
225077.50
112167.00
URIDINE (CAS# 58-96-8); (M+HCOO)-
26187.00
71520.00
29542.00
UROCANATE (CAS# 104-98-3); (M-H)-
37474.33
2141.00
8472.00
URSODIOL (CAS# 128-13-2); (M-H)-
108806.50
144722.67
1005088.67
URSODIOL (CAS# 128-13-2); (M+HCOO)-
127155.67
222470.00
328524.67
VALINE (CAS# 72-18-4); (M-H)-
5122.00
13890.00
13493.00
XANTHOSINE (CAS# 146-80-5); (M-H)-
4705.67
15258.00
10344.00
XANTHURENIC ACID (CAS# 59-00-7); (M-H)-
1839.00
1954.00
2642.00
XYLOSE (CAS# 58-86-6); (M+HCOO)-
147638.33
49914.00
74567.33
ZEATIN [ISTD] (CAS# 13114-27-7); (M+CL)-
2043007.33
2694087.67
2540603.33
ZEATIN [ISTD] (CAS# 13114-27-7); (M-H)-
3677754.00
5048389.00
4472928.33
Factors:
F1
Days post-STZ:-
F2
Days post-STZ:3
F3
Days post-STZ:30
F4
Days post-STZ:POOLED
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