Metabolomics Workbench : NIH Data Repository : Analyze Studies

Data for ST000696

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

Metabolite structure	F1	F2	F3
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:

F1	stress:N \| treatment:None
F2	stress:POOLED \| treatment:POOLED
F3	stress:Y \| treatment:+Lacto
F4	stress:Y \| treatment:None