Data for Metabolic profiling of cyst fluid from patients with Intraductal Pancreatic Mucinous Neoplasm (part II) (Study ST000823)

(Analysis AN001306)

Values for each metabolite have been scaled by dividing by the mean across all factors

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MetaboliteF1F2F3
16:0-18:0 PC (M+Cl)- 1.0000 NA NA
16:0 LYSO PC (M+Cl)- 0.9798 0.3900 1.6368
18:0 LYSO-PE (M-H)- 1.3488 0.5897 0.9452
1-METHYLURIC ACID (M-H)- 0.3338 1.6662 NA
1-METHYLXANTHINE (M-H)- 0.7789 1.2211 NA
24:0 SM (D18:1/24:0) (M+Cl)- 1.2541 NA 0.8306
2-DEOXY-D-GLUCOSE (M+Cl)- 0.4893 1.3288 1.3521
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)- 0.4816 1.4943 1.0241
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)- 0.6551 1.2871 0.9428
3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)- 1.4223 1.4106 0.5836
3-METHYLXANTHINE (M-H)- 0.6872 1.6738 0.5908
4-ACETAMINOPHEN SULFATE (M-H)- 0.0786 1.8651 0.5956
4-NITROPHENOL (M-H)- NA 1.0000 NA
4-PYRIDOXIC ACID (M-H)- 1.0000 NA NA
5-AMINOPENTANOIC ACID (M-H)- NA NA 1.0000
5-HYDROXY OMEPRAZOLE (M-H)- 0.7317 1.0012 1.3565
5-HYDROXYTRYPTOPHAN (M-H)- 0.8828 1.5358 0.7907
5-OXOPROLINE (M-H)- 0.4968 0.4254 2.2455
ACETAMINOPHEN (TN TYLENOL) (M-H)- NA 1.0000 NA
ADENOSINE (M+Cl)- 0.7678 1.4018 0.5133
ADIPIC ACID (M-H)- 1.1700 1.1401 0.8499
ALLANTOIN (M-H)- 1.1886 1.0727 0.2890
ALPHA-HYDROXYISOBUTYRIC ACID (M-H)- 1.1194 0.5710 1.3494
ARACHIDIC ACID (M-H)- 0.9934 0.9101 1.0987
ARACHIDONIC ACID (M-H)- 0.8372 0.6628 1.5542
AZELAIC ACID (M-H)- NA 0.8063 1.1937
BEHENIC ACID (M-H)- 1.1808 0.8224 0.9968
BILIVERDIN (M-H)- 1.6934 0.3066 NA
CHOLIC ACID (M+Cl)- 2.0086 0.3888 0.6027
CHOLIC ACID (M-H)- 1.8306 0.5575 0.6119
CIS-11-EICOSENOIC ACID (M-H)- 1.0681 0.2879 1.6213
CITRIC ACID (M-H)- 0.4880 0.9214 1.5644
CITRULLINE (M-H)- 1.8723 0.5437 0.7920
CORTICOSTERONE (M+Cl)- 1.3699 NA 0.8767
CORTISOL (M+Cl)- 0.9721 0.3092 1.7280
CORTISONE (M+Cl)- 0.7898 1.0975 1.1828
CREATINE (M-H)- 1.1094 0.6468 1.0250
CYSTINE (M-H)- 0.4004 1.2226 1.1544
DEHYDROASCORBIC ACID (M-H)- 0.8702 NA 1.1298
DEHYDROEPIANDROSTERONE SULFATE (M-H)- 2.8845 0.0290 0.3910
DEOXYCHOLIC ACID (M+Cl)- 2.0967 NA 0.4517
DEOXYCHOLIC ACID (M-H)- 2.3511 NA 0.3244
DOCOSAHEXAENOIC ACID (M-H)- 1.0741 0.6127 1.2885
DUMP (M-H)- 1.2950 0.8894 0.9262
EPIBRASSINOLIDE [ISTD] (M+Cl)- 0.9978 1.0020 1.0010
ERUCIC ACID (M-H)- 1.3096 0.7598 0.8274
GERANYLGERANYL DIPHOSPHATE (M-H)- 1.1447 0.2855 1.4252
GLUCONIC ACID (M-H)- 0.4626 0.6585 1.6102
GLUCOSE (M+Cl)- 1.1898 0.1349 1.6120
GLUTAMIC ACID (M-H)- 0.2568 0.3669 1.6881
GLUTAMINE (M-H)- 0.6522 0.4083 1.4697
GLUTARIC ACID (M-H)- NA 0.8526 1.1474
GLYCEROL MYRISTATE (M+Cl)- 1.0000 NA NA
GLYCOCHOLIC ACID (M-H)- 1.4831 0.3188 1.3591
GLYCOLITHOCHOLIC ACID (M-H)- 1.0000 NA NA
GUANOSINE (M+Cl)- NA NA 1.0000
GUANOSINE (M-H)- NA NA 1.0000
HEPTADECANOIC ACID (M-H)- 1.0348 0.6063 1.3473
HEXACOSANOIC ACID (M-H)- 1.2109 0.9706 0.9240
HIPPURIC ACID (M-H)- 1.0247 0.9055 1.0697
HOMOVANILLIC ACID (2M-H)- 0.9832 1.2500 0.7725
HYODEOXYCHOLIC ACID (M-H)- 0.8264 0.9751 1.2564
HYPOXANTHINE (M-H)- NA NA 1.0000
IBUPROFEN CARBOXYLIC ACID (2M-H)- NA 1.0000 NA
IBUPROFEN CARBOXYLIC ACID (M+Cl)- NA 1.0000 NA
IBUPROFEN CARBOXYLIC ACID (M-H)- NA NA 1.0000
INOSINE 5^-DIPHOSPHATE (M-H)- NA 0.4717 1.2641
INOSINE 5^-PHOSPHATE (M-H)- NA NA 1.0000
INOSINE (M-H)- 0.2205 0.0463 5.4200
ISOCITRIC ACID (M-H)- 0.2678 0.5613 2.1709
ISOLEUCINE (M-H)- 1.7214 NA 0.6393
KYNURENINE (M-H)- 2.2631 NA 0.3685
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)- 1.0181 0.9708 1.0050
L-ARGININE (M-H)- NA 1.1676 0.8324
LAURIC ACID (M-H)- 1.0015 0.7874 1.2105
L-CARNITINE (M+Cl)- 2.0174 0.6153 0.6836
L-HISTIDINE (M-H)- 1.0402 0.9743 0.9927
LIGNOCERIC ACID (M-H)- 1.1801 0.7911 0.9687
LINOLEIC ACID (M-H)- 0.9851 0.2745 1.7454
L-METHIONINE SULFOXIMINE (M-H)- 1.4412 0.9834 0.7224
L-TRYPTOPHAN-15N2 [ISTD] (M-H)- 0.9853 0.9854 1.0343
LYSINE (M-H)- 1.0000 NA NA
MIMOSINE (M-H)- NA NA 1.0000
MYRISTIC ACID (M-H)- 0.9500 0.8193 1.2474
MYRISTOLEIC ACID (M-H)- 1.1464 NA 0.9512
N-ACETYL-ASPARTIC ACID (M-H)- NA 0.9183 1.0409
N-ACETYL-D-GLUCOSAMINE (M+Cl)- 0.9469 0.7418 1.2253
N-ACETYL-DL-METHIONINE (M-H)- 0.9608 0.9501 1.1022
N-ACETYLGLYCINE (M-H)- 1.8628 0.7405 0.8280
N-ACETYL-L-ALANINE (M-H)- 0.9441 0.8464 1.1908
N-ACETYL-L-LEUCINE (M-H)- 1.5491 NA 0.7255
N-ACETYL-L-PHENYLALANINE (M-H)- 1.0000 NA NA
N-ACETYLNEURAMINIC ACID (M-H)- 0.4805 2.8716 0.7224
N-AMIDINO-ASPARTIC ACID (M+Cl)+[-H2O] NA 1.0000 NA
NAPROXEN (M-H)- 1.0000 NA NA
NERVONIC ACID (M-H)- 2.4616 0.2249 0.5423
OLEIC ACID (M-H)- 0.9570 0.4798 1.5776
OLEOYL-GLYCEROL (M+Cl)- NA NA 1.0000
O-SUCCINYL-L-HOMOSERINE (M-H)- 0.9960 0.5622 1.2932
OXALOACETIC ACID (M-H)-[-H2O] 0.9593 0.9989 1.0553
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (2M-H)- NA 1.0000 NA
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M-H)- NA 1.7419 0.2581
PALMITIC ACID (M-H)- 0.9631 0.9017 1.1475
PALMITOLEIC ACID (M-H)- 1.0156 0.3543 1.6250
PANTOTHENIC ACID (M-H)- 1.3237 1.4003 0.7587
PHENYLALANINE (M-H)- 0.6445 1.0985 1.3226
PHYTANIC ACID (M-H)- 1.1166 0.5189 1.3256
PIMELIC ACID (M-H)- NA 1.0000 NA
PROSTAGLANDIN E2 (M+Cl)- NA NA 1.0000
RAFFINOSE (M+Cl)- 1.1094 0.6950 1.0287
RIBOSE (M+Cl)- 0.4302 1.5698 NA
SALICYLURIC ACID (M-H)- NA 1.0000 NA
SEBACIC ACID (M-H)- 0.6747 1.1323 1.0202
SERINE (M-H)- 1.0000 NA NA
STACHYOSE (M+Cl)- NA 0.9618 1.0382
STEARIC ACID (M-H)- 0.9871 0.9743 1.0429
SUBERIC ACID (M-H)- 0.7033 1.2633 1.1212
SUCCINIC ACID (M-H)- 0.5672 0.8442 1.7328
SUCROSE (M+Cl)- 0.5028 1.1739 1.5470
TAURINE (M-H)- 1.0000 NA NA
THEOPHYLLINE (M-H)- 1.2052 1.0534 0.6121
THYROXINE (M-H)- 1.0000 NA NA
TRICARBALLYLIC ACID (M-H)-[-H2O] NA 1.7338 0.2662
TRICOSANOIC ACID (M-H)- 1.3045 0.6641 0.7269
TRIDECANOIC ACID (M-H)- NA NA 1.0000
TRYPTOPHAN (2M-H)- 1.6901 0.6793 0.8153
TRYPTOPHAN (M-H)- 0.9016 0.8021 1.3291
TYROSINE (M-H)- 0.4964 0.9694 1.5240
UDP-N-ACETYL-D-GALACTOSAMINE (M-H)- NA NA 1.0000
URACIL (M-H)- NA NA 1.0000
URIC ACID (M-H)- 0.7265 1.1046 1.2601
URIDINE (M+Cl)- 0.2780 0.2272 2.1084
URIDINE (M-H)- NA NA 1.0000
VALINE (M-H)- NA NA 1.0000
XANTHINE (M-H)- NA 1.4628 0.7686
XANTHOSINE (M-H)- NA NA 1.0000
ZEATIN [ISTD] (M+Cl)- 1.0712 0.9163 0.9888
ZEATIN [ISTD] (M-H)- 1.0386 0.9551 0.9935
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Factors:

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