Metabolomics Workbench : NIH Data Repository : Analyze Studies

Data for ST000823

(Analysis AN001306): Average values per metabolite and experimental factor (Units:Peak area)

Metabolite structure	F1	F2	F3
16:0-18:0 PC (M+Cl)-	6530.00	-	-
16:0 LYSO PC (M+Cl)-	70787.25	28178.67	118253.33
18:0 LYSO-PE (M-H)-	62577.25	27361.00	43854.00
1-METHYLURIC ACID (M-H)-	5553.00	27717.00	-
1-METHYLXANTHINE (M-H)-	35874.00	56239.50	-
24:0 SM (D18:1/24:0) (M+Cl)-	18473.50	-	12234.67
2-DEOXY-D-GLUCOSE (M+Cl)-	135721.25	368551.33	375000.33
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-	95691.33	296910.00	203475.67
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)-	44897.50	88212.33	64611.33
3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)-	15157.00	15032.00	6219.00
3-METHYLXANTHINE (M-H)-	30333.33	73882.00	26080.00
4-ACETAMINOPHEN SULFATE (M-H)-	26683.00	633231.50	202208.00
4-NITROPHENOL (M-H)-	-	4205.00	-
4-PYRIDOXIC ACID (M-H)-	13105.00	-	-
5-AMINOPENTANOIC ACID (M-H)-	-	-	9648.00
5-HYDROXY OMEPRAZOLE (M-H)-	50455.00	69040.33	93538.33
5-HYDROXYTRYPTOPHAN (M-H)-	6013.00	10460.00	5385.50
5-OXOPROLINE (M-H)-	294741.00	252360.33	1332171.00
ACETAMINOPHEN (TN TYLENOL) (M-H)-	-	83031.00	-
ADENOSINE (M+Cl)-	13425.00	24509.67	8975.00
ADIPIC ACID (M-H)-	40774.00	39732.50	29619.67
ALLANTOIN (M-H)-	34314.67	30968.50	8344.00
ALPHA-HYDROXYISOBUTYRIC ACID (M-H)-	111100.50	56665.67	133922.67
ARACHIDIC ACID (M-H)-	9026.00	8269.33	9983.00
ARACHIDONIC ACID (M-H)-	443757.00	351307.67	823780.33
AZELAIC ACID (M-H)-	-	8419.00	12463.00
BEHENIC ACID (M-H)-	4972.67	3463.33	4198.00
BILIVERDIN (M-H)-	61331.00	11106.00	-
CHOLIC ACID (M+Cl)-	7869.00	1523.00	2361.00
CHOLIC ACID (M-H)-	22964.50	6993.00	7676.00
CIS-11-EICOSENOIC ACID (M-H)-	66051.00	17807.00	100265.00
CITRIC ACID (M-H)-	199938.33	377481.50	640884.33
CITRULLINE (M-H)-	17303.00	5025.00	7319.00
CORTICOSTERONE (M+Cl)-	8025.00	-	5136.00
CORTISOL (M+Cl)-	31220.50	9930.33	55495.67
CORTISONE (M+Cl)-	13370.00	18577.67	20021.33
CREATINE (M-H)-	12573.00	7331.00	11617.00
CYSTINE (M-H)-	1385.00	4229.00	3993.00
DEHYDROASCORBIC ACID (M-H)-	24968.00	-	32416.00
DEHYDROEPIANDROSTERONE SULFATE (M-H)-	959055.50	9632.00	130014.67
DEOXYCHOLIC ACID (M+Cl)-	17448.00	-	3758.50
DEOXYCHOLIC ACID (M-H)-	67783.00	-	9353.50
DOCOSAHEXAENOIC ACID (M-H)-	227235.50	129627.00	272580.33
DUMP (M-H)-	23323.00	16018.50	16680.00
EPIBRASSINOLIDE [ISTD] (M+Cl)-	1094985.25	1099560.00	1098471.00
ERUCIC ACID (M-H)-	9063.25	5258.00	5725.67
GERANYLGERANYL DIPHOSPHATE (M-H)-	5489.50	1369.00	6834.50
GLUCONIC ACID (M-H)-	5072.00	7220.00	17655.50
GLUCOSE (M+Cl)-	2050052.75	232463.67	2777385.67
GLUTAMIC ACID (M-H)-	9608.00	13725.00	63153.50
GLUTAMINE (M-H)-	6815.00	4267.00	15358.00
GLUTARIC ACID (M-H)-	-	17320.00	23310.00
GLYCEROL MYRISTATE (M+Cl)-	4099.00	-	-
GLYCOCHOLIC ACID (M-H)-	37005.00	7953.33	33911.33
GLYCOLITHOCHOLIC ACID (M-H)-	13322.00	-	-
GUANOSINE (M+Cl)-	-	-	2422.00
GUANOSINE (M-H)-	-	-	10905.00
HEPTADECANOIC ACID (M-H)-	46141.25	27037.33	60077.00
HEXACOSANOIC ACID (M-H)-	3271.00	2622.00	2496.00
HIPPURIC ACID (M-H)-	151127.67	133546.67	157767.00
HOMOVANILLIC ACID (2M-H)-	7990.75	10159.67	6278.33
HYODEOXYCHOLIC ACID (M-H)-	150068.50	177083.67	228171.00
HYPOXANTHINE (M-H)-	-	-	75571.00
IBUPROFEN CARBOXYLIC ACID (2M-H)-	-	16219.00	-
IBUPROFEN CARBOXYLIC ACID (M+Cl)-	-	8481.00	-
IBUPROFEN CARBOXYLIC ACID (M-H)-	-	-	12217.00
INOSINE 5^-DIPHOSPHATE (M-H)-	-	3356.00	8993.00
INOSINE 5^-PHOSPHATE (M-H)-	-	-	5148.50
INOSINE (M-H)-	20774.50	4365.67	510637.00
ISOCITRIC ACID (M-H)-	65064.50	136357.00	527356.50
ISOLEUCINE (M-H)-	316466.00	-	117535.50
KYNURENINE (M-H)-	36504.00	-	5943.50
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-	177134.00	168907.67	174851.33
L-ARGININE (M-H)-	-	4585.00	3269.00
LAURIC ACID (M-H)-	12919.50	10158.00	15616.00
L-CARNITINE (M+Cl)-	18625.00	5681.00	6311.50
L-HISTIDINE (M-H)-	17561.00	16449.00	16760.00
LIGNOCERIC ACID (M-H)-	9812.00	6577.67	8053.67
LINOLEIC ACID (M-H)-	903777.25	251830.00	1601251.00
L-METHIONINE SULFOXIMINE (M-H)-	102913.50	70226.67	51588.00
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-	942968.75	943051.00	989870.00
LYSINE (M-H)-	2510.00	-	-
MIMOSINE (M-H)-	-	-	1243.00
MYRISTIC ACID (M-H)-	116750.00	100691.67	153295.67
MYRISTOLEIC ACID (M-H)-	12708.00	-	10544.33
N-ACETYL-ASPARTIC ACID (M-H)-	-	7039.00	7978.50
N-ACETYL-D-GLUCOSAMINE (M+Cl)-	59618.33	46702.50	77146.00
N-ACETYL-DL-METHIONINE (M-H)-	27346.50	27041.33	31369.33
N-ACETYLGLYCINE (M-H)-	53712.00	21352.50	23875.00
N-ACETYL-L-ALANINE (M-H)-	62005.50	55590.00	78204.67
N-ACETYL-L-LEUCINE (M-H)-	13348.00	-	6251.00
N-ACETYL-L-PHENYLALANINE (M-H)-	4400.00	-	-
N-ACETYLNEURAMINIC ACID (M-H)-	2072.00	12382.00	3115.00
N-AMIDINO-ASPARTIC ACID (M+Cl)+[-H2O]	-	9871.50	-
NAPROXEN (M-H)-	6495.00	-	-
NERVONIC ACID (M-H)-	26746.50	2444.00	5892.33
OLEIC ACID (M-H)-	1405171.00	704588.00	2316449.67
OLEOYL-GLYCEROL (M+Cl)-	-	-	339048.00
O-SUCCINYL-L-HOMOSERINE (M-H)-	17179.00	9696.00	22304.00
OXALOACETIC ACID (M-H)-[-H2O]	607929.25	633028.00	668783.67
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (2M-H)-	-	103105.00	-
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M-H)-	-	774360.00	114726.50
PALMITIC ACID (M-H)-	615518.75	576276.33	733344.67
PALMITOLEIC ACID (M-H)-	233587.50	81482.67	373762.00
PANTOTHENIC ACID (M-H)-	20672.00	21868.00	11848.00
PHENYLALANINE (M-H)-	231665.00	394815.00	475382.33
PHYTANIC ACID (M-H)-	8802.50	4090.67	10450.33
PIMELIC ACID (M-H)-	-	6017.00	-
PROSTAGLANDIN E2 (M+Cl)-	-	-	1436.00
RAFFINOSE (M+Cl)-	9600.50	6014.00	8902.33
RIBOSE (M+Cl)-	4705.00	17171.00	-
SALICYLURIC ACID (M-H)-	-	5832.00	-
SEBACIC ACID (M-H)-	5780.00	9700.00	8739.33
SERINE (M-H)-	3589.00	-	-
STACHYOSE (M+Cl)-	-	1700.00	1835.00
STEARIC ACID (M-H)-	637878.00	629595.00	673920.33
SUBERIC ACID (M-H)-	14673.67	26357.50	23392.67
SUCCINIC ACID (M-H)-	70552.75	105001.33	215527.33
SUCROSE (M+Cl)-	12825.50	29942.00	39459.00
TAURINE (M-H)-	12189.00	-	-
THEOPHYLLINE (M-H)-	73487.00	64226.67	37319.50
THYROXINE (M-H)-	5378.00	-	-
TRICARBALLYLIC ACID (M-H)-[-H2O]	-	33228.00	5101.00
TRICOSANOIC ACID (M-H)-	3366.50	1714.00	1876.00
TRIDECANOIC ACID (M-H)-	-	-	2520.00
TRYPTOPHAN (2M-H)-	24023.00	9656.00	11589.00
TRYPTOPHAN (M-H)-	255466.50	227266.00	376581.00
TYROSINE (M-H)-	61726.33	120535.50	189499.00
UDP-N-ACETYL-D-GALACTOSAMINE (M-H)-	-	-	4560.00
URACIL (M-H)-	-	-	14387.00
URIC ACID (M-H)-	1062070.50	1614848.33	1842284.00
URIDINE (M+Cl)-	29056.00	23747.00	220385.50
URIDINE (M-H)-	-	-	132112.00
VALINE (M-H)-	-	-	9648.00
XANTHINE (M-H)-	-	89162.00	46850.00
XANTHOSINE (M-H)-	-	-	17488.00
ZEATIN [ISTD] (M+Cl)-	369695.00	316214.00	341232.67
ZEATIN [ISTD] (M-H)-	201940.75	185707.33	193187.33

Factors:

F1	Diagnosis:IPMN \| Dysplasia:LGD
F2	Diagnosis:MCN \| Dysplasia:LGD
F3	Diagnosis:SCA \| Dysplasia:N/A