Data for ST000696   

(Analysis AN001079): Average values per metabolite and experimental factor (Units:Peak area)

Metabolite structureAll dataF1F2F3F4
10-HYDROXYDECANOATE (CAS# 1679-53-4); (M-H)-
4037.50 2315.67 7040.33
11-DEOXYCORTISOL (CAS# 152-58-9); (M+CL)-
15299.20 22826.25 11302.75
11-DEOXYCORTISOL (CAS# 152-58-9); (M+HCOO)-
134047.33 125800.00 80082.50
16:0-18:0 PC (CAS# 59403-51-9); (M+CL)-
- 3841.75 18647.00
16:0-18:0 PC (CAS# 59403-51-9); (M+HCOO)-
- - 29619.00
16:0 LYSO PC (CAS# 17364-16-8); (M+CL)-
6160.00 7018.67 -
16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)-
267711.20 276818.80 342614.80
17ALPHA-HYDROXYPROGESTERONE (CAS# 68-96-2); (M+CL)-
1036.00 - -
18:0 LYSO-PE (CAS# 69747-55-3); (M-H)-
24490.60 37658.00 35401.60
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+HCOO)-
12725.40 15642.80 23721.00
20:0 LYSO PC (CAS# 108341-80-6); (M+HCOO)-
17165.00 1594.50 2629.50
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+HCOO)-
- 7620.00 -
2^-DEOXYGUANOSINE (CAS# 961-07-9); (M+CL)-
137105.00 254003.00 -
2^-DEOXYINOSINE (CAS# 890-38-0); (M-H)-
- 16074.50 4129.00
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (M-H)-
680838.60 854490.80 959330.80
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (CAS# 583-91-5); (M-H)-
15820.80 8595.25 8825.00
2-HYDROXYBUTYRATE (CAS# ); (M-H)-
43655.60 47002.40 51966.60
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)-
38936.20 79564.00 74274.00
2-METHYLMALEATE (CAS# 498-23-7); (M-H)-
81630.00 116445.00 116821.00
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)-
175086.00 144151.00 175993.60
3-(4-HYDROXYPHENYL)PYRUVATE (CAS# 156-39-8 ); (M-H)-
4661.00 - 1700.00
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2); (M+CL)-...
- 1948.00 -
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)-
89418.80 125374.40 104738.60
3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M-H)-
6953.20 6390.00 5929.60
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M-H)-
57176.40 80390.40 74543.20
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M-H)-
90076.00 132265.60 151128.60
3-NITRO-L-TYROSINE (CAS# 621-44-3); (M-H)-
8544.00 14235.67 10350.50
3-SULFINO-L-ALANINE (CAS# 1115-65-7); (M-H)-
- 3038.00 7640.00
3-UREIDOPROPIONIC ACID (CAS# 462-88-4); (M-H)-
22573.00 - -
4-COUMARATE (CAS# 501-98-4); (M-H)-
35186.20 29323.00 39188.60
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC ACID (CAS# 4...
18753.67 11605.50 12194.33
4-HYDROXYBENZOATE (CAS# 99-96-7); (M-H)-
12125.00 10654.00 10157.50
4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)-
1384134.40 1387279.60 1758726.00
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)-
1383521.60 1387152.80 1758621.00
4-NITROBENZOIC ACID (CAS# 62-23-7); (M-H)-
77165.00 30363.50 32540.00
4-NITROPHENOL (CAS# 100-02-7); (M-H)-
9152.20 14613.00 12447.00
4-PYRIDOXATE (CAS# 82-82-6); (M-H)-
66800.60 77802.20 86035.50
5-AMINOPENTANOATE (CAS# 660-88-8); (M-H)-
3811.00 - 1744.00
5^-DEOXYADENOSINE (CAS# 4754-39-6); (M+HCOO)-
7206.33 6867.00 6750.60
5-HYDROXY OMEPRAZOLE (CAS# 92340-57-3); (M-H)-
- 1413.00 -
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M-H)-
10748.25 7180.00 10244.50
5-METHYLTETRAHYDROFOLATE (CAS# 134-35-0); (M-H)-
- 1676.00 -
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)-
18227.80 20502.20 21002.00
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+HCOO)-
15935.80 19004.20 18278.20
5-OXOPROLINE (CAS# 4042-36-8); (M-H)-
271561.00 184389.00 210438.00
5-VALEROLACTONE (CAS# 542-28-9); (M+HCOO)-
122581.00 88338.50 122047.00
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M-H)-
90076.00 131911.00 151128.60
ACETOACETATE (CAS# 541-50-4); (M-H)-
- 2628.00 2361.00
ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (2M-H)+
5712.60 8383.75 4229.20
ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (M-H)-
353930.20 349707.00 326181.60
ADENOSINE (CAS# 58-61-7); (M+CL)-
137105.00 250615.00 -
ADENOSINE (CAS# 58-61-7); (M+HCOO)-
18693.60 27788.40 27405.50
ADIPIC ACID (CAS# 124-04-9 ); (M-H)-
57176.40 80390.40 74543.20
ALDOSTERONE (CAS# 52-39-1); (M+CL)-
1156.00 - 1807.00
ALDOSTERONE (CAS# 52-39-1); (M+HCOO)-
8883.00 - -
ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O]
89522.60 125374.40 105046.80
ALPHA-HYDROXYISOBUTYRIC ACID (CAS# 594-61-6); (M-H)-
43655.60 47002.40 51966.60
ALPHA-KETO-GLUTARATE (CAS# 328-50-7); (M-H)-
57431.00 - -
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)-
1031944.60 1035662.60 1086212.00
ARACHIDIC ACID (CAS# 506-30-9); (M-H)-
104954.80 77574.00 169832.00
ARACHIDONATE (CAS# 506-32-1); (M-H)-
1693572.80 2098831.40 2113070.20
ASPARAGINE (CAS# 70-47-3); (M-H)-
22573.00 - -
ASPIRIN (CAS# 50-78-2); (M-H)-
5941.00 - 1700.00
AZELAIC ACID (CAS# 123-99-9); (M-H)-
8092888.60 11371502.40 11840000.00
BEHENIC ACID (CAS# 112-85-6); (M-H)-
62230.40 75765.60 105175.60
BENZOATE (CAS# 65-85-0); (M-H)-
276506.40 348648.20 504327.80
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (CAS# 584-85-0); (M-H)...
2263.67 1086.00 1714.00
BETA-MALTOSE (CAS# 69-79-4); (2M+CL)-[-H2O]
1958.50 1654.40 2684.33
BETA-MALTOSE (CAS# 69-79-4); (M+CL)-
30796.00 5725.67 33956.00
BIOTIN (CAS# 58-85-5); (M-H)-
7872.00 17463.50 16328.67
BOC-LYS-OH (CAS# 13734-28-6); (M-H)-
5448.50 5411.50 5552.00
BOC-SER-OH (CAS# 3262-72-4); (M-H)-
2155.60 4720.50 5985.25
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3)...
2102.00 - 4216.00
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3)...
- - 2549.00
CAPRYLIC ACID (CAS# 124-07-2); (M-H)-
9103.50 4342.50 7050.60
CATECHOL (CAS# 120-80-9); (M-H)-
64805.75 49057.00 111921.00
CELLOBIOSE (CAS# 528-50-7); (M+CL)-
30796.00 4128.25 33956.00
CHOLATE (CAS# 81-25-4); (2M-H)-
91066.00 3002.00 8073.67
CHOLATE (CAS# 81-25-4); (M+CL)-
56780.00 - 4180.00
CHOLATE (CAS# 81-25-4); (M-H)-
333561.00 74698.00 189091.40
CINNAMIC ACID (CAS# 140-10-3); (M-H)-
7353.00 15845.80 26589.60
CIS-11-EICOSENOIC ACID (CAS# 5561-99-9); (M-H)-
279197.60 236651.60 434770.80
CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)-
3844932.20 4307865.60 4534776.80
CIS-ZEATIN (CAS# 1637-39-4); (M+CL)-
1169740.20 1253420.20 1356508.60
CIS-ZEATIN (CAS# 1637-39-4); (M-H)-
2893421.00 3124846.00 3368114.60
CITRAMALATE (CAS# 2306-22-1); (M-H)-
- 6712.00 -
CITRATE (CAS# 77-92-9); (M-H)-
674154.00 498968.80 562863.20
CITRULLINE (CAS# 372-75-8); (M-H)-
25207.50 3409.00 11685.67
CORTICOSTERONE (CAS# 50-22-6); (M+CL)-
15872.40 24910.50 16774.00
CORTICOSTERONE (CAS# 50-22-6); (M+HCOO)-
133284.67 126732.60 80681.75
CORTISOL 21-ACETATE (CAS# 50-03-3); (M+CL)-
2029.00 6548.00 5481.00
CORTISOL 21-ACETATE (CAS# 50-03-3); (M+HCOO)-
8590.00 11557.00 9246.00
CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+HCOO)-
8093122.00 11371502.40 11840000.00
CYTIDINE (CAS# 65-46-3); (M+CL)-
7730.00 2712.00 5632.00
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+HCOO)-
310914.50 131385.80 286726.50
DECANOATE (CAS# 334-48-5); (M-H)-
10482.00 10695.60 16672.40
DEHYDROASCORBATE (CAS# 490-83-5); (M+CL)-
2808.00 - -
DEHYDROASCORBATE (CAS# 490-83-5); (M-H)-
59900.40 49966.80 61891.40
DEOXYADENOSINE (CAS# 16373-93-6); (M+CL)-
12652.60 15717.00 14889.00
DEOXYCHOLIC ACID (CAS# 83-44-3); (2M-H)-
1922.00 - 1670.00
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+CL)-
2274.00 - -
DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)-
53609.00 59910.60 47914.20
DEOXYCYTIDINE (CAS# 951-77-9); (M+CL)-
- 1077.00 -
DEOXYCYTIDINE (CAS# 951-77-9); (M+HCOO)-
- - 1337.00
DEOXYURIDINE (CAS# 951-78-0); (M+CL)-
1388692.00 1296719.60 1413872.00
DEOXYURIDINE (CAS# 951-78-0); (M-H)-
114561.20 102111.20 111162.80
DEOXYURIDINE (CAS# 951-78-0); (M+HCOO)-
119606.40 104963.20 110004.20
DGMP (CAS# 902-04-5); (M-H)-
240397.00 103591.20 206716.50
DIACETYL (CAS# 431-03-8); (M+HCOO)-
36788.60 30859.80 44974.80
D-LYXOSE (CAS# 1114-34-7); (M+CL)-
- 1833.00 1676.00
D-LYXOSE (CAS# 1114-34-7); (M-H)-
- 4264.00 4340.50
D-LYXOSE (CAS# 1114-34-7); (M+HCOO)-
305449.50 130288.67 282607.00
DOCOSAHEXAENOIC ACID (CAS# 6217-54-5 ); (M-H)-
853168.80 1161732.80 962899.00
D-ORNITHINE (CAS# 348-66-3); (M-H)-
3030.00 - -
D-PSICOSE (CAS# 551-68-8); (M+CL)-
10550000.00 1062462.00 -
D-TAGATOSE (CAS# 87-81-0); (M+CL)-
10550000.00 1062462.00 -
DUMP (CAS# 964-26-1); (M-H)-
- 4320.00 4941.00
ELAIDIC ACID (CAS# 112-79-8); (M-H)-
3844958.20 4307864.40 4535170.20
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+CL)-
548624.60 631508.20 701534.40
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+HCOO)-
5820978.00 6684059.40 7272256.80
ERUCIC ACID (CAS# 112-86-7); (M-H)-
20071.00 11558.20 48192.60
ETHYLMALONIC ACID (CAS# 601-75-2); (M-H)-
14203.00 19269.80 27227.60
FERULATE (CAS# 1135-24-6); (M-H)-
4030.00 5158.00 5150.25
FRUCTOSE (CAS# 57-48-7); (M+CL)-
10550000.00 1062462.00 -
FRUCTOSE (CAS# 57-48-7); (M+HCOO)-
29492.00 33190.20 36343.20
FUMARATE (CAS# 110-17-8); (M-H)-
29345.80 19473.50 25577.80
GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+HCOO)-
38331.20 30210.60 44974.20
GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M-H)-
3352.00 6612.00 2211.00
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+HCOO)-
1031944.60 1035662.60 1086245.00
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M-H)-
11038.40 12355.60 15282.00
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+CL)-
2774.00 7970.00 21888.00
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M-H)-
416851.20 451322.80 508448.40
GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2O]
212529.60 212128.40 255937.80
GLUCONIC ACID (CAS# 526-95-4); (M-H)-
422300.00 153593.20 202260.00
GLUCOSE (CAS# 50-99-7); (2M+CL)-[-H2O]
30796.00 4445.67 20465.50
GLUCOSE (CAS# 50-99-7); (M+CL)-
10550000.00 1062462.00 -
GLUTAMATE (CAS# 56-86-0); (M-H)-
13673.00 38540.00 48044.00
GLUTAMINE (CAS# 56-85-9); (M-H)-
66550.00 52404.50 76097.33
GLUTARATE (CAS# 110-94-1); (M-H)-
38331.20 30210.60 44974.20
GLUTATHIONE (CAS# 27025-41-8); (M-H)-
74878.00 108198.80 89351.20
GLYCERALDEHYDE (CAS# 367-47-5); (2M-H)-[-H2O]
89418.80 120430.75 114194.75
GLYCERATE (CAS# 473-81-4); (M-H)-
2673.00 - -
GLYCEROL 2-PHOSPHATE (CAS# ); (M-H)-
6343.00 9796.50 6518.00
GLYCINE (CAS# 56-40-6); (M-H)-
- - 1416.00
GLYCOCHOLATE (CAS# 475-31-0); (M-H)-
51728.00 - -
GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M-H)-
- - 6332.00
GUANINE (CAS# 73-40-5); (M-H)-
4801.50 3198.33 5359.33
GUANOSINE 5^-PHOSPHATE (CAS# 85-32-5); (M-H)-
32812.75 33029.00 33875.75
GUANOSINE (CAS# 118-00-3); (M+CL)-
- 6944.00 -
HEPTADECANOATE (CAS# 506-12-7); (M-H)-
316531.60 308657.40 338305.20
HEXACOSANOIC ACID (CAS# 506-46-7); (M-H)-
16551.00 15143.80 27840.80
HEXANOATE (CAS# 142-62-1); (M-H)-
1773.00 3852.00 3054.00
HIPPURATE (CAS# 495-69-2); (M-H)-
22309138.20 28360000.00 31760000.00
HOMOVANILLATE (CAS# 306-08-1); (2M-H)-
- 2193.67 2651.50
HYODEOXYCHOLATE (CAS# 83-49-8); (M-H)-
1123232.20 733075.40 692659.20
HYPOXANTHINE (CAS# 68-94-0); (M-H)-
65804.00 79886.60 103010.00
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M-H)-
1486.00 - 2101.00
INDOLE-3-ACETATE (CAS# 87-51-4); (M-H)-
- 1322.00 -
INDOLE-3-PYRUVIC ACID (CAS# 392-12-1); (M-H)-
3882.20 4967.40 4245.60
INOSINE 5^-DIPHOSPHATE (CAS# 86-04-4); (M-H)-
- 1195.00 -
INOSINE 5^-PHOSPHATE (CAS# 131-99-7); (M-H)-
- 1863.00 -
INOSINE (CAS# 58-63-9); (M+CL)-
- 323447.50 222345.00
INOSINE (CAS# 58-63-9); (M-H)-
299473.20 616910.60 693349.80
ISOCITRATE (CAS# 320-77-4); (M-H)-
669713.00 496654.20 558284.20
ISOLEUCINE (CAS# 73-32-5); (M-H)-
94208.00 118462.50 127474.40
ITACONATE (CAS# 97-65-4); (M-H)-
12897.50 14094.25 38692.00
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (2M-H)-
37091.80 40828.80 48643.60
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M-H)-
1750314.40 1945787.40 2000563.40
KYNURENINE (CAS# 343-65-7); (M-H)-
11409.00 14040.00 -
L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M-H)-
221637.50 237948.80 278530.67
LACTOSE (CAS# 63-42-3); (M+CL)-
30796.00 4128.25 33956.00
LACTOSE (CAS# 63-42-3); (M-H)-
- 1195.00 1458.50
L-ARGININE (CAS# 74-79-3); (M-H)-
3919.00 3127.67 3762.33
LAURIC ACID (CAS# 143-07-7); (M-H)-
32314.60 34261.20 41873.40
LEUCINE (CAS# 328-39-2); (M-H)-
119092.00 118462.50 127886.60
LEUKOTRIENE B4 (CAS# 71160-24-2); (M-H)-
28816.60 18084.00 26213.40
L-GULONATE (CAS# 6322-07-2); (M-H)-
407797.00 158376.75 199487.00
L-GULONATE (CAS# 6322-07-2); (M-H)+[-H2O]
37484.00 30611.40 32286.50
L-HISTIDINE (CAS# 71-00-1); (M-H)-
35529.00 21978.00 21210.67
L-HISTIDINOL (CAS# 4836-52-6); (M-H)-
1291.00 - -
LIGNOCERIC ACID (CAS# 557-59-5); (M-H)-
89777.00 96324.80 108181.20
LINOLEATE (CAS# 60-33-3); (M-H)-
3226587.20 3529238.40 3317260.00
LITHOCHOLIC ACID (CAS# 434-13-9); (M+HCOO)-
2868.00 2230.50 -
L-RHAMNOSE (CAS# 10030-85-0); (M-H)-
1565.00 6524.50 -
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M-H)-
66178.20 68064.40 74042.00
LYSINE (CAS# 56-87-1); (M-H)-
4703.00 2978.60 2178.60
LYSOPHOSPHATIDIC ACID (CAS# 0); (M-H)-
- - 1197.00
MALATE (CAS# 97-67-6); (M-H)-
845189.00 754728.50 1089380.00
MALATE (CAS# 97-67-6); (M-H)+[-H2O]
111896.50 85636.40 124226.20
MALEIC ACID (CAS# 110-16-7); (M-H)-
39307.20 33111.25 27501.00
MALTOSE (CAS# 69-79-4); (M+CL)-
30796.00 4128.25 33956.00
MANDELIC ACID (CAS# 611-71-2); (M-H)-
12661.40 10950.80 14360.60
MELIBIOSE (CAS# 585-99-9); (M+CL)-
30796.00 4445.67 33956.00
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+CL)-
153773.00 146091.40 167088.80
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+HCOO)-
21124.50 9942.00 -
METHYLMALONATE (CAS# 516-05-2); (M-H)-
190378.60 136663.40 277327.50
MEVALONIC ACID (CAS# 674-26-0); (M-H)-
59868.80 65282.80 73601.40
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M-H)-
57749.40 80390.40 74594.20
MYRISTIC ACID (CAS# 544-63-8); (M-H)-
367408.00 371790.40 332602.40
MYRISTOLEIC ACID (CAS# 544-64-9); (M-H)-
23402.60 27096.20 31977.40
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+CL)-
161300.00 169105.50 175919.50
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M-H)-
67409.80 51743.80 69065.40
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M-H)-
13673.00 - 45720.00
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+CL)-
161300.00 169105.50 175919.50
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M-H)-
41313.60 37529.80 51395.00
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+CL)-
161300.00 169105.50 175919.50
N-ACETYLGLYCINE (CAS# 543-24-8); (M-H)-
21812.60 25730.00 30457.60
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M-H)-
97849.60 92074.40 111467.80
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M-H)-
23664.00 18450.25 -
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M-H)-
250248.80 191699.40 245680.80
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M-H)-
62472.80 36945.60 47938.00
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M-H)-
31355.20 27219.20 37895.20
NERVONIC ACID (CAS# 506-37-6); (M-H)-
15198.60 16251.00 34466.80
NICOTINATE (CAS# 59-67-6); (M-H)-
31436.00 19557.00 28533.50
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M-H)-
13673.00 38540.00 48044.00
N-OLEOYLGLYCINE (CAS# 2601-90-3); (2M-H)-
- - 1065.00
NONANOATE (CAS# 112-05-0); (M-H)-
9080.20 9804.80 14715.60
NORLEUCINE (CAS# 327-57-1); (M-H)-
84013.25 118462.50 127886.60
OLEIC ACID (CAS# 112-80-1); (M-H)-
3843290.40 4307128.80 4536023.80
OMEGA-HYDROXYDODECANOIC ACID (CAS# 505-95-3); (M-H)-
4769.00 - 4172.00
OMEPRAZOLE SULFONE (CAS# 88546-55-8); (M-H)-
- 1413.00 -
OPHTHALMIC ACID (CAS# 495-27-2); (M-H)-
8084.50 5697.00 4904.25
OROTATE (CAS# 65-86-1); (M-H)-
5925.50 4334.50 9753.00
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-H)-
74878.00 108198.80 89351.20
PALATINOSE (CAS# 343336-76-5); (M+CL)-
30796.00 4128.25 33956.00
PALMITATE (CAS# 57-10-3); (M-H)-
2850983.60 2654547.00 2788700.00
PALMITOLEIC ACID (CAS# 373-49-9); (M-H)-
1169053.20 1482670.00 1667839.00
PANTOTHENATE (CAS# 79-83-4); (M+CL)-
19315.00 14258.60 21522.60
PANTOTHENATE (CAS# 79-83-4); (M-H)-
287413.80 232855.20 307994.40
PENTANOATE (CAS# 109-52-4); (M+HCOO)-
34740.40 28810.00 49461.50
PHENYL ACETATE (CAS# 122-79-2); (M-H)-
9904.50 2653.00 11839.00
PHENYL ACETATE (CAS# 122-79-2); (M+HCOO)-
175086.00 144151.00 175993.60
PHENYLALANINE (CAS# 63-91-2); (M-H)-
503649.60 437164.20 498260.40
PHENYLPYRUVATE (CAS# 156-06-9); (M-H)-
5743.33 3104.67 2647.00
PHYTANATE (CAS# 14721-66-5); (M-H)-
43399.00 37412.00 52461.75
PICOLINIC ACID (CAS# 98-98-6); (M-H)-
27689.00 23544.00 31061.00
PINITOL (CAS# 10284-63-6); (M+CL)-
153773.00 146091.40 166222.80
PROPENOATE (CAS# 79-10-7); (M-H)-
- - 14176.00
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+CL)-
2297.00 1204.00 -
PROSTAGLANDIN E2 (CAS# 363-24-6); (M-H)-
- - 5825.50
PTERIN (CAS# 2236-60-4); (M-H)-
- 2825.00 1224.00
PURINE (CAS# 120-73-0); (M-H)-
39420.67 19528.33 39364.33
PYRUVATE (CAS# 127-17-3); (M-H)-
2492.50 6403.40 12113.33
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+HCOO)-
- 1676.50 -
RAFFINOSE (CAS# 512-69-6); (M+CL)-
2533.40 2545.75 3236.33
RETINOATE (CAS# 302-79-4); (M-H)-
6442.25 6136.20 6750.40
RIBOSE 5-PHOSPHATE (CAS# 4300-28-1); (M-H)-
2076.00 1489.00 -
RIBOSE (CAS# 50-69-1); (M+CL)-
- 1833.00 2405.00
(S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROPANOATE OR ...
1383.00 2025.00 -
(S)-3-METHYL-2-OXOPENTANOATE (CAS# 1460-34-0); (M-H)-
1481856.40 1536888.00 1876476.40
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M-H)-
8349.50 8081.00 9439.00
SALICYLATE (CAS# 69-72-7); (M-H)-
280738.00 166273.60 221613.00
SALICYLURIC ACID (CAS# 487-54-7); (M-H)-
2172.00 2020.33 3471.25
(S)-DIHYDROOROTATE (CAS# 5988-19-2); (M-H)-
- 7002.50 7608.00
SEBACIC ACID (CAS# 111-20-6); (M-H)-
1081742.00 1561541.40 2091141.80
SERINE (CAS# 56-45-1); (M-H)-
2751.50 1845.67 2305.80
SHIKIMATE (CAS# 138-59-0); (M-H)-
- 1472.00 -
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+CL)-
67560.00 60964.33 73038.00
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+HCOO)-
2303.00 1958.00 -
STACHYOSE (CAS# 54261-98-2); (M+CL)-
2133.20 1729.20 2665.00
STEARATE (CAS# 57-11-4); (M-H)-
3360433.20 3153076.40 3533709.60
SUBERIC ACID (CAS# 505-48-6); (M-H)-
313607.20 458704.20 514039.00
SUCCINATE (CAS# 110-15-6); (M-H)-
190378.60 172344.00 277327.50
SUCROSE (CAS# 57-50-1); (M+CL)-
30796.00 5087.67 33956.00
TAURINE (CAS# 107-35-7); (M-H)-
67117.00 108526.00 82865.67
THEOPHYLLINE (CAS# 58-55-9); (M-H)-
- 7029.00 -
THREONINE (CAS# 72-19-5); (M+HCOO)-[-H2O]
13673.00 - 45720.00
THROMBOXANE B2 (CAS# 54397-85-2); (M-H)-
47615.20 54062.50 71540.40
THROMBOXANE B2 (CAS# 54397-85-2); (M-H)-[-H2O]
- - 5825.50
THYMIDINE (CAS# 50-89-5); (M+CL)-
712587.60 694049.40 769960.00
THYMIDINE (CAS# 50-89-5); (M-H)-
150831.40 149292.00 156973.60
THYMIDINE (CAS# 50-89-5); (M+HCOO)-
233609.20 228067.40 220355.25
THYROXINE (CAS# 51-48-9); (M-H)-
4836.75 4330.00 3755.25
TRANS-ACONITATE (CAS# 4023-65-8); (M-H)-
75175.20 52859.80 66989.80
TRANS-VACCENIC ACID (CAS# 693-72-1); (M-H)-
3843551.60 4307132.00 4535534.00
TRIACONTANOIC ACID (CAS# 506-50-3); (M-H)-
12891.20 13093.60 13068.80
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-
13816.00 4220.00 3678.00
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-[-H2O]
45299.00 50756.40 62214.00
TRICOSANOIC ACID (CAS# 2433-96-7); (M-H)-
46789.80 51330.20 50786.00
TRIDECANOIC ACID (CAS# 638-53-9); (M-H)-
13097.60 11582.20 13622.20
TRYPTOPHAN (CAS# 73-22-3); (2M-H)-
25387.00 - -
TRYPTOPHAN (CAS# 73-22-3); (M-H)-
465950.40 441565.40 488601.20
TYROSINE (CAS# 60-18-4); (M-H)-
172781.40 103394.80 115499.40
UDP-GLUCOSE (CAS# 133-89-1); (M-H)-
- 7353.00 -
UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M-H)-
1725.00 4403.50 -
URACIL 5-CARBOXYLATE (CAS# 23945-44-0); (M-H)-
5534.00 4334.50 9552.50
URATE (CAS# 69-93-2); (M-H)-
845301.00 916506.40 1125852.40
URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M-H)-
18047.80 21775.00 -
URIDINE (CAS# 58-96-8); (M+CL)-
1419493.00 1336627.80 1740547.60
URIDINE (CAS# 58-96-8); (M-H)-
196407.40 215151.80 244720.40
URIDINE (CAS# 58-96-8); (M+HCOO)-
35982.20 44188.00 44162.00
URSODIOL (CAS# 128-13-2); (M-H)-
57595.00 23366.50 49578.67
URSODIOL (CAS# 128-13-2); (M+HCOO)-
6436.50 7680.00 6875.50
VALINE (CAS# 72-18-4); (M-H)-
3811.00 - 1836.00
XANTHINE (CAS# 69-89-6); (M-H)-
637033.40 808679.40 1155400.00
XANTHOSINE (CAS# 146-80-5); (M-H)-
26121.00 29848.33 52194.33
XYLOSE (CAS# 58-86-6); (M+HCOO)-
317490.50 109068.25 298257.00
ZEATIN [ISTD] (CAS# 13114-27-7); (M+CL)-
1169689.60 1253420.20 1356509.20
ZEATIN [ISTD] (CAS# 13114-27-7); (M-H)-
2893421.00 3125977.80 3368114.60

Factors:

F1stress:N | treatment:None
F2stress:POOLED | treatment:POOLED
F3stress:Y | treatment:+Lacto
F4stress:Y | treatment:None
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