Data for ST000823   

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

Metabolite structureAll dataF1F2F3
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:

F1Diagnosis:IPMN | Dysplasia:LGD
F2Diagnosis:MCN | Dysplasia:LGD
F3Diagnosis:SCA | Dysplasia:N/A
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