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

(Analysis AN001307)

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

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MetaboliteF1F2F3
10-HYDROXYDECANOIC ACID (M+H)+[-H2O] NA 1.3562 0.6438
10-HYDROXYDECANOIC ACID (M+Na)+ 1.0000 NA NA
16:0-18:0 PC (M+H)+ 0.6639 0.2327 2.0559
16:0 LYSO PC (M+H)+ 1.6786 0.3739 0.7213
16:0 LYSO PC (M+Na)+ 1.8081 0.2528 0.6697
18:0 LYSO-PE (M+H)+ 1.2067 0.3985 1.1880
18:0 LYSO-PE (M+Na)+ 0.0838 1.4581 NA
1-METHYLADENOSINE (M+H)+ 1.3324 0.8710 1.0182
1-METHYLURIC ACID (M+H)+ 0.2424 2.4071 0.3505
1-METHYLXANTHINE (M+H)+ 0.9023 0.5272 1.5706
1-METHYLXANTHINE (M+Na)+ 1.1669 0.7374 1.0478
20:0 LYSO PC (M+H)+ 0.7380 NA 1.5240
20:0 LYSO PC (M+Na)+ 0.7154 NA 1.2846
24:0 SM (D18:1/24:0) (M+H)+ 1.0639 0.1244 1.4986
24:0 SM (D18:1/24:0) (M+Na)+ 1.5241 0.2866 0.8884
25-HYDROXYCHOLESTEROL (M+H)+[-H2O] 0.6447 1.3553 NA
2-AMINOETHYL DIHYDROGEN PHOSPHATE (M+H)+ NA 1.3174 0.8413
2-AMINOETHYL DIHYDROGEN PHOSPHATE (M+Na)+ 0.6825 1.3632 0.9771
2-DEOXY-D-GLUCOSE (M+Na)+ 0.6475 1.1559 1.5899
2^-DEOXYGUANOSINE (M+H)+ 0.3477 0.9062 1.7461
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M+H)+ 0.8992 1.9167 0.1841
2-HYDROXYBUTYRIC ACID (M+Na)+ 1.1462 NA 0.9513
3-(4-HYDROXYPHENYL)LACTIC ACID (M+Na)+ NA 1.0000 NA
3-AMINO-4-HYDROXYBENZOIC ACID (M+H)+ NA 1.0000 NA
3-DEHYDROSHIKIMIC ACID (M+H)+[-H2O] 1.0633 0.9502 1.0182
3-HYDROXY-3-METHYLGLUTARIC ACID (M+H)+[-H2O] NA 1.0000 NA
3-HYDROXYBENZALDEHYDE (M+H)+[-H2O] 0.9736 1.0502 0.9929
3-HYDROXYLAUROYLCARNITINE (*) (M+H)+ NA 1.0000 NA
3-METHOXYTYROSINE (M+H)+ 0.5429 NA 1.9142
3-METHYL-2-OXINDOLE (M+H)+ 1.0000 NA NA
3-METHYLXANTHINE (M+H)+ NA NA 1.0000
4-ACETAMIDOBUTANOIC ACID (M+H)+ 0.7058 1.5883 NA
4-ACETAMIDOBUTANOIC ACID (M+Na)+ NA 1.0000 NA
4-ACETAMINOPHEN SULFATE (M+H)+ NA 1.7485 0.2515
4-ACETAMINOPHEN SULFATE (M+Na)+ NA 1.0000 NA
4-GUANIDINOBUTANOIC ACID (M+H)+ 1.0000 NA NA
4-HYDROXY-3-METHOXYPHENYLGLYCOL (M+H)+[-H2O] NA NA 1.0000
4-HYDROXY-L-PROLINE (M+H)+ 0.3416 0.7762 1.6628
4-QUINOLINECARBOXYLIC ACID #2 (M+H)+ 1.0000 NA NA
5-AMINOLEVULINIC ACID (M+Na)+ 0.8302 0.6534 1.5164
5-AMINOPENTANOIC ACID (M+H)+ 1.1260 0.1742 1.6998
5-HYDROXYTRYPTOPHAN (M+H)+ NA 1.1307 0.7385
5-METHYLCYTOSINE (2M+H)+ NA NA 1.0000
5^-METHYLTHIOADENOSINE (M+H)+ 0.6016 NA 1.3984
5-OXOPROLINE (M+H)+ 0.7794 0.4649 1.5038
5-OXOPROLINE (M+Na)+ 1.0717 1.0968 0.8076
5-VALEROLACTONE (M+H)+ NA 1.2625 0.8688
ACETAMINOPHEN (TN TYLENOL) (M+H)+ 0.0822 1.4589 NA
ACETAMINOPHEN (TN TYLENOL) (M+Na)+ NA NA 1.0000
ACETYLCARNITINE (M+H)+ 0.7076 1.4386 NA
ADENOSINE 5^-MONOPHOSPHATE (M+H)+ NA NA 1.0000
ADIPIC ACID (M+H)+ 1.3554 0.6446 NA
ADIPIC ACID (M+Na)+ 1.2976 1.0988 0.5045
ALLANTOIN (M+H)+ NA NA 1.0000
ALLANTOIN (M+Na)+ NA NA 1.0000
ALLOPREGNANOLONE (M+Na)+ NA 1.0000 NA
ALPHA-LINOLENIC ACID (M+Na)+ 0.8511 0.9881 1.2104
ALPHA-TOCOPHEROL (M+H)+ 2.7377 0.1397 0.1225
ANDROSTERONE (M+Na)+ NA NA 1.0000
ASPARAGINE (M+H)+ 1.2164 0.6370 1.0745
ASPARAGINE (M+Na)+ NA NA 1.0000
ASPARTIC ACID (M+Na)+ 0.9757 NA 1.0243
AZELAIC ACID (M+H)+ 0.5834 1.2083 NA
AZELAIC ACID (M+H)+[-H2O] 0.9483 1.3020 0.7670
AZELAIC ACID (M+Na)+ 0.9550 1.3363 0.7236
BILIVERDIN (M+H)+ 2.4347 0.4997 0.0656
BILIVERDIN (M+Na)+ 1.0000 NA NA
BIOTIN (M+H)+ NA 1.0000 NA
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+ 1.0944 0.9884 0.8857
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+Na)+ 1.0865 0.9839 0.9008
BUTYRYLCARNITINE (*) (M+H)+ 0.7353 1.1618 1.1029
CAFFEINE (M+H)+ 1.1450 1.3103 0.3170
CAFFEINE (M+Na)+ 0.9663 1.4631 0.1412
CALCIDIOL (M+H)+ 1.0000 NA NA
CALCIDIOL (M+H)+[-H2O] 1.0000 NA NA
CARNITINE (M+H)+ 0.6879 0.5985 1.7136
CARNOSINE (M+H)+ 1.1006 0.8674 1.0320
CARNOSINE (M+Na)+ 0.8058 1.1942 NA
CHOLESTEROL HYDROGEN SULFATE M+[-HSO4] 1.6099 0.6228 0.7673
CHOLESTEROL (M+H)+[-H2O] 1.1536 0.7705 1.0247
CHOLINE PHOSPHATE (M+H)+ 1.5220 0.1431 1.1674
CITRIC ACID (M+H)+[-H2O] 1.0056 NA 0.9944
CITRIC ACID (M+Na)+ 0.5061 1.0486 1.6100
CITRULLINE (M+H)+ 0.7809 2.8408 0.6055
CITRULLINE (M+Na)+ 1.1318 NA 0.8682
CORTICOSTERONE (M+H)+ 0.7964 NA 1.2036
CORTICOSTERONE (M+Na)+ 0.8917 0.1466 1.3928
CORTISOL (M+H)+ 0.9750 0.2836 1.7497
CORTISOL (M+Na)+ 1.0094 0.3108 1.6767
CORTISONE (M+H)+ 0.8293 0.9788 1.3733
CORTISONE (M+Na)+ 0.8981 1.1439 1.0060
CREATINE (M+H)+ 0.9010 0.5938 1.5053
CREATININE (M+H)+ 0.8395 0.9352 1.4182
CREATININE (M+Na)+ 0.2646 0.4204 1.9472
CYSTATHIONINE (M+H)+ 0.6381 NA 1.3619
CYSTATHIONINE (M+H)+[-H2O] 0.5110 0.4324 2.5455
CYSTATHIONINE (M+Na)+ NA NA 1.0000
CYSTEIC ACID (M+H)+ 0.6960 NA 1.3040
CYSTINE (M+H)+ 1.1425 NA 0.8575
CYSTINE (M+Na)+ 0.7639 NA 1.2361
DECANOIC ACID (2M+Na)+ 1.2876 0.5341 0.9453
DECENOYLCARNITINE (*) (M+H)+ 0.9638 NA 1.0181
DEOXYCHOLIC ACID (M+Na)+ NA NA 1.0000
DEPHOSPHO-COA (M+Na)+ 1.0973 1.0123 0.8781
DESMOSTEROL (M+H)+[-H2O] 1.0992 0.8016 NA
DETHIOBIOTIN (M+H)+[-H2O] 1.0000 NA NA
D-GLUCOSAMINE 6-SULFATE (M+H)+[-H2O] NA NA 1.0000
D-GLUCOSAMINE (M+H)+ 0.1969 1.8997 0.0036
DOXYLAMINE (M+H)+ 1.0000 NA NA
DUMP (M+H)+ 1.5801 1.0460 0.7607
EICOSADIENOYLCARNITINE (*) (M+H)+ NA 1.0000 NA
EICOSENOYLCARNITINE (*) (M+H)+ 0.6233 1.3767 NA
ELAIDIC ACID (M+H)+ 0.9895 0.3545 1.6595
ELAIDIC ACID (M+Na)+ 1.3109 0.1580 1.5311
EPIBRASSINOLIDE [ISTD] (M+H)+ 1.0231 1.0015 0.9677
EPIBRASSINOLIDE [ISTD] (M+Na)+ 1.0204 1.0037 0.9690
EPINEPHRINE (M+H)+ 1.1043 NA 0.8957
ERYTHRITOL (M+Na)+ 1.0000 NA NA
ESTRONE (M+H)+ 1.0359 0.9099 1.0632
GALACTITOL OR DULCITOL (M+Na)+ 1.6626 0.1966 1.1407
GENTISURIC ACID (M+H)+ NA 1.0000 NA
GLUCOSE (2M+Na)+ 1.1150 NA 0.8850
GLUCOSE (M+Na)+ 1.0224 0.1170 1.8606
GLUTAMIC ACID (M+H)+ NA NA 1.0000
GLUTAMIC ACID (M+H)+[-H2O] 0.6695 NA 1.3305
GLUTARYLCARNITINE (*) (M+H)+ NA NA 1.0000
GLUTATHIONE OXIDIZED (M+H)+ NA NA 1.0000
GLUTATHIONE OXIDIZED (M+H2)+2 NA NA 1.0000
GLYCEROL MYRISTATE (M+H)+ 1.0000 NA NA
GLYCEROL MYRISTATE (M+H)+[-H2O] 1.1616 0.8492 0.9837
GLYCEROL MYRISTATE (M+Na)+ 1.8724 0.5709 0.2659
GLYCINE (M+H)+ 1.0000 NA NA
GLYCOCHENODEOXYCHOLIC ACID (M+H)+ 1.7500 NA 0.6250
GLYCOCHENODEOXYCHOLIC ACID (M+H)+[-H2O] 1.5751 0.3236 0.8421
GLYCOCHENODEOXYCHOLIC ACID (M+Na)+ 1.6582 0.1960 1.1458
GLYCOCHOLIC ACID (M+H)+ 1.3240 0.3902 1.1905
GLYCOCHOLIC ACID (M+H)+[-H2O] 1.4067 0.3994 0.7871
GLYCOLITHOCHOLIC ACID (M+H)+[-H2O] 1.0000 NA NA
GUANOSINE (M+H)+ 0.2494 NA 2.5013
HEXANOYLCARNITINE (*) M+ 0.7102 2.5756 0.1428
HIPPURIC ACID (M+H)+ 0.9341 1.1098 0.9927
HIPPURIC ACID (M+Na)+ 0.8927 0.9663 1.1768
HISTAMINE (M+Na)+ NA 1.0000 NA
HOMOCYSTEINE (M+H)+ 0.7028 0.8372 2.2173
HOMOGENTISIC ACID (M+H)+ 0.5530 1.3861 1.0406
HOMOGENTISIC ACID (M+H)+[-H2O] NA 1.0000 NA
HOMOSERINE (M+Na)+ NA NA 1.0000
HYPOXANTHINE (M+H)+ 0.2614 0.5606 1.9318
HYPOXANTHINE (M+Na)+ 0.3916 0.6068 1.6677
IBUPROFEN CARBOXYLIC ACID (M+H)+[-H2O] NA 1.9211 0.0789
IBUPROFEN CARBOXYLIC ACID (M+Na)+ NA 1.9316 0.0684
INDOLE-3-ACETIC ACID (M+Na)+ 2.5809 0.1397 0.2794
INOSINE 5^-PHOSPHATE (M+H)+ NA NA 1.0000
INOSINE (M+H)+ 0.1363 NA 2.7275
INOSINE (M+Na)+ 0.6032 0.0917 3.6103
ISO-BUTYRYLCARNITINE (*) (M+H)+ 0.7215 1.3002 0.9783
ISOLEUCINE (M+H)+ 0.8533 0.2942 1.9013
ISOLEUCINE (M+Na)+ 1.3593 0.5560 1.0282
ISOVALERYLCARNITINE (*) (M+H)+ 0.5347 1.8881 0.7322
KYNURENINE (M+H)+ 2.5434 0.1807 0.2759
KYNURENINE (M+Na)+ 1.0000 NA NA
L-ARGININE (M+H)+ 0.7166 1.0685 1.2378
L-ARGININE (M+Na)+ 0.7190 1.5916 0.9901
LAURIC ACID (M+Na)+ NA NA 1.0000
LAUROYLCARNITINE (M+H)+ NA NA 1.0000
LEUKOTRIENE B4 (M+H)+ NA NA 1.0000
LEUKOTRIENE B4 (M+Na)+ NA NA 1.0000
L-HISTIDINE (M+H)+ 0.7357 0.8479 1.2082
L-HISTIDINE (M+Na)+ NA 0.8095 1.1905
L-HISTIDINOL (M+H)+ NA NA 1.0000
LITHOCHOLIC ACID (M+Na)+ 0.9070 1.0930 NA
L-RHAMNOSE (2M+Na)+ NA NA 1.0000
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+ 0.9984 0.9881 1.0141
LYSINE (M+H)+ 1.1273 0.9983 0.9163
LYSINE (M+Na)+ 1.5845 0.7083 0.9989
MALIC ACID (M+Na)+ NA NA 1.0000
METHIONINE (M+H)+ NA 1.0000 NA
MEVALONIC ACID (M+Na)+ NA 1.0000 NA
M-HYDROXYMANDELIC ACID (M+H)+[-H2O] NA 1.0000 NA
N-ACETYL-ASPARTIC ACID (M+Na)+ 0.6914 1.3676 0.9705
N-ACETYL-D-GLUCOSAMINE (M+Na)+ NA NA 1.0000
N-ACETYL-DL-SERINE (M+H)+ NA NA 1.0000
N-ACETYL-DL-SERINE (M+H)+[-H2O] 0.9825 0.4102 1.5986
N-ACETYL-DL-SERINE (M+Na)+ NA 1.0000 NA
N-ACETYLGLYCINE (M+Na)+ 0.9735 1.0718 0.9188
N-ACETYL-L-ALANINE (M+H)+ NA 1.0000 NA
N-ACETYL-L-ALANINE (M+Na)+ 0.5901 2.0348 0.3751
N-ACETYL-L-LEUCINE (M+H)+ 0.3638 NA 1.3181
N-ACETYL-L-LEUCINE (M+Na)+ 1.0777 NA 0.9612
N-ACETYL-L-PHENYLALANINE (M+Na)+ 0.9318 0.6512 1.4170
N-ACETYLNEURAMINIC ACID (M+Na)+ NA 1.0000 NA
NAD (M+2H)+2 NA NA 1.0000
N-ALPHA-ACETYL-L-LYSINE (M+H)+ NA NA 1.0000
NAPROXEN (M+H)+ 1.0000 NA NA
NAPROXEN (M+Na)+ 1.0000 NA NA
N-CYCLOHEXYLFORMAMIDE (M+H)+ 0.9800 0.9664 1.0603
N-CYCLOHEXYLFORMAMIDE (M+Na)+ 1.0369 1.0460 0.9324
NICOTINAMIDE (M+H)+ 0.6344 0.3412 2.7194
N-METHYL-ASPARTIC ACID (M+Na)+ 1.0000 NA NA
NORADRENALINE (M+H)+[-H2O] NA NA 1.0000
N(PAI)-METHYL-L-HISTIDINE (M+H)+ 0.6284 NA 1.3716
N(PAI)-METHYL-L-HISTIDINE (M+Na)+ NA NA 1.0000
OCTENOYLCARNITINE (*) M+ 0.8160 2.0552 0.2207
OLEAMIDE (M+H)+ 1.0000 NA NA
OLEIC ACID (M+H)+ NA 1.0000 NA
OLEIC ACID (M+Na)+ 1.2636 0.6174 1.0311
OLEOYL-GLYCEROL (M+H)+ 1.3482 0.6932 0.8425
OLEOYL-GLYCEROL (M+H)+[-H2O] 1.2513 0.7979 0.8670
OLEOYL-GLYCEROL (M+Na)+ 1.3490 0.5861 0.9486
OMEGA-HYDROXYDODECANOIC ACID (M+H)+[-H2O] 0.8346 1.0054 1.1600
OMEGA-HYDROXYDODECANOIC ACID (M+Na)+ 1.0000 NA NA
OMEPRAZOLE SULFONE (M+H)+ 0.2174 1.0724 1.7102
ORNITHINE (M+H)+ 1.5755 0.4528 1.1729
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (2M+H)+ NA 1.6786 0.3214
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+H)+ NA 1.5859 0.4141
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+Na)+ NA 1.8199 0.1801
PANTOTHENIC ACID (M+H)+ 0.8945 1.5387 0.8908
PANTOTHENIC ACID (M+Na)+ 1.3475 1.3913 0.7537
PHENYL ACETATE (M+H)+ 1.0000 NA NA
PHENYLALANINE (M+H)+ 1.1701 1.0681 0.7050
PHENYLALANINE (M+Na)+ 0.9126 1.0645 1.0666
PIMELIC ACID (M+H)+[-H2O] 1.0000 NA NA
PIMELIC ACID (M+Na)+ 0.9464 1.0536 NA
PIPECOLIC ACID (M+H)+ NA NA 1.0000
PREGNENOLONE (M+Na)+ NA NA 1.0000
PROCOLLAGEN 5-HYDROXY-L-LYSINE (M+H)+ 0.5343 0.2439 1.4072
PROCOLLAGEN 5-HYDROXY-L-LYSINE (M+H)+[-H2O] 1.4614 0.5386 NA
PROGESTERONE (M+H)+ 0.9610 1.0400 1.0121
PROLINE (M+H)+ 0.9537 0.2133 2.6662
PROLINE (M+Na)+ 0.7547 NA 1.2453
PROPIONYLCARNITINE (*) (M+H)+ 0.7671 1.3494 NA
PROSTAGLANDIN E2 (M+H)+ 0.0671 0.1385 2.3279
PROTOPORPHYRIN (M+H)+ NA NA 1.0000
PURINE (M+H)+ 1.0000 NA NA
RAFFINOSE (M+Na)+ 1.1991 0.5622 1.0132
RIBOSE (M+K)+ NA 1.4196 0.5804
RIBOSE (M+Na)+ 1.1277 1.0819 0.7478
S-ADENOSYL-L-HOMOCYSTEINE (M+H)+ NA NA 1.0000
SALICYLURIC ACID (M+H)+ NA 1.0000 NA
SEBACIC ACID (M+Na)+ 1.0859 1.3633 0.7643
SELENOMETHIONINE (M+H)+ NA NA 1.0000
S-HEXYL-GLUTATHIONE (M+Na)+ NA NA 1.0000
SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+ NA NA 1.0000
SPERMIDINE (M+H)+ 0.1839 0.8012 2.1544
SPERMINE (M+H)+ 0.2403 0.6096 1.7667
SPHINGANINE (M+H)+ 1.0000 NA NA
SPHINGOSINE (M+H)+[-H2O] 1.0000 NA NA
STACHYOSE (M+Na)+ NA NA 1.0000
STEAROYLCARNITINE (*) (M+H)+ 0.6235 1.4062 0.9404
SUBERIC ACID (M+H)+ NA 1.0000 NA
SUBERIC ACID (M+H)+[-H2O] 1.0136 1.2282 0.7537
SUBERIC ACID (M+Na)+ 1.0494 1.2203 0.7139
SUCROSE (M+Na)+ 0.8061 0.6642 1.5296
TAUROCHENODEOXYCHOLIC ACID (M+H)+ 1.0000 NA NA
TAUROCHENODEOXYCHOLIC ACID (M+Na)+ 1.0000 NA NA
TAUROLITHOCHOLIC ACID (M+H)+ NA NA 1.0000
TESTOSTERONE (M+Na)+ NA NA 1.0000
TETRADECENOYLCARNITINE (*) M+ NA 1.0000 NA
THEOBROMINE (M+H)+ 0.7255 2.0219 0.3441
THEOBROMINE (M+Na)+ 0.5057 2.2172 0.0486
THEOPHYLLINE (M+H)+ 1.1577 1.0910 0.5026
THEOPHYLLINE (M+Na)+ 1.1354 1.1171 0.6212
THREONINE (M+H)+[-H2O] NA NA 1.0000
THYROXINE (M+H)+ NA NA 1.0000
TRYPTOPHAN (M+H)+ 1.0811 0.9850 0.9068
TRYPTOPHAN (M+Na)+ 1.3688 0.8255 0.9028
TYROSINE (M+H)+ 0.5798 0.4885 2.0717
TYROSINE (M+Na)+ 0.3765 0.7859 1.6949
URIC ACID (M+H)+ 0.8185 1.2327 1.0093
URIC ACID (M+Na)+ 1.1095 1.0653 0.7705
URIDINE-5-MONOPHOSPHATE (M+H)+ 1.2139 0.5635 1.0029
URIDINE (M+H)+ 0.0265 NA 1.9735
URIDINE (M+Na)+ NA NA 1.0000
UROCANIC ACID (M+H)+ 1.0692 0.7234 NA
URSODIOL (M+Na)+ 2.8183 0.2263 0.4777
VALINE (M+H)+ 0.7407 0.2585 2.0871
VALINE (M+Na)+ 1.5977 0.4417 1.1730
XANTHINE (M+H)+ NA 0.0621 1.9379
XANTHOSINE (M+H)+ NA NA 1.0000
ZEATIN [ISTD] (M+H)+ 1.0905 1.0119 0.8675
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Factors:

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