Data for (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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