Data for Metabolic profiling of cyst fluid from patients with Intraductal Pancreatic Mucinous Neoplasm (Study ST000713)

(Analysis AN001114)

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

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MetaboliteF1F2F3F4F5
16:0-18:0 PC (M+H)+ 0.1482 0.1943 0.0275 1.1700 2.1451
16:0-18:0 PC (M+NA)+ NA 0.3944 NA 1.6075 0.6953
16:0 LYSO PC (M+H)+ NA NA NA 1.0000 NA
16:0 LYSO PC (M+NA)+ 0.5347 0.0307 0.2130 1.6393 1.1519
17ALPHA-HYDROXYPROGESTERONE (M+H)+ NA NA NA 1.4429 0.1142
18:0 LYSO-PE (M+H)+ 0.1627 0.0654 0.9444 1.8669 0.6134
1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID (M+H)+ 0.4599 NA 0.4373 0.8978 1.4698
1-METHYLADENOSINE (M+H)+ NA 0.7823 0.6722 0.7988 1.8762
1-METHYLXANTHINE (M+H)+ 0.3575 0.5763 0.3945 1.1546 1.4026
20:0 LYSO PC (M+NA)+ NA NA 1.0000 NA NA
25-HYDROXYCHOLESTEROL (M+H)+[-H2O] 0.7343 0.2729 0.3505 1.2515 1.0444
2-DEOXY-D-GLUCOSE (M+NA)+ NA 0.5362 1.0867 0.8667 1.5885
3-(4-HYDROXYPHENYL)LACTIC ACID (M+NA)+ 1.5298 NA 0.4375 0.9401 1.0907
3-AMINOISOBUTYRIC ACID (M+H)+ NA 1.2342 0.9013 0.8660 0.9995
3-DEHYDROSHIKIMIC ACID (M+H)+[-H2O] NA NA NA 1.0000 NA
3-HYDROXYBENZALDEHYDE (M+H)+[-H2O] 1.4954 1.1624 0.7399 0.9680 0.9207
3-METHYLADIPIC ACID (M+NA)+ NA NA 1.3142 0.8841 1.0168
3-METHYLXANTHINE (M+H)+ 0.3970 0.6053 0.4026 1.1533 1.3784
4-ACETAMINOPHEN SULFATE (M+H)+ 1.1610 1.3516 1.4344 NA 0.0530
4-GUANIDINOBUTANOIC ACID (M+H)+ 0.5390 1.3491 1.5966 0.6403 1.4770
4-HYDROXY-L-PROLINE (M+H)+ 0.7896 1.5278 0.3672 0.7875 1.4593
4-QUINOLINECARBOXYLIC ACID #2 (M+H)+ NA NA NA 0.2368 1.7632
5-AMINOPENTANOIC ACID (M+H)+ 0.5807 0.9360 0.3619 0.7777 1.8185
5-HYDROXYINDOLEACETIC ACID (M+H)+ NA NA NA 1.0000 NA
5-HYDROXYTRYPTOPHAN (M+H)+ 0.7310 NA NA 0.5243 1.5653
5^-METHYLTHIOADENOSINE (M+H)+ 0.5732 0.8531 4.1816 0.7612 0.4125
5-OXOPROLINE (M+H)+ 0.8318 0.1331 0.0791 0.4168 2.8184
ACETAMINOPHEN (TN TYLENOL) (M+H)+ 0.6342 1.6309 3.3531 0.1273 NA
ACETAMINOPHEN (TN TYLENOL) (M+NA)+ 0.5736 1.3243 2.5024 0.2998 NA
ACETYLCARNITINE (M+H)+ 2.7503 NA 0.1151 0.9533 0.2280
ADENOSINE 5^-MONOPHOSPHATE (M+H)+ 0.0911 NA NA 0.0253 2.9165
ADENOSINE (M+H)+ NA NA NA 0.7212 1.1859
ADIPIC ACID (M+NA)+ 0.7423 0.0632 0.5409 0.1735 2.6532
ALPHA-LINOLENIC ACID (M+NA)+ 0.5605 1.9661 1.1918 0.8632 1.0342
ALPHA-TOCOPHEROL (M+H)+ 0.0278 0.1174 0.0242 2.2029 0.6110
ASPARAGINE (M+H)+ 0.5593 0.4860 0.9576 0.9849 1.3575
AZELAIC ACID (M+H)+[-H2O] 1.6280 0.3102 1.2525 0.8153 1.2443
AZELAIC ACID (M+NA)+ 1.4532 0.3997 1.1914 0.7924 1.3312
BILIVERDIN (M+H)+ 0.8886 0.0249 0.0035 0.4383 2.8178
BILIVERDIN (M+NA)+ 0.4387 NA NA 0.3964 2.1860
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+ 0.8174 1.2107 1.4167 0.9613 0.9291
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+ 0.7566 1.1491 1.3166 0.9528 1.0203
CAFFEINE (M+H)+ 1.1155 1.1139 2.8422 0.5118 1.2859
CARNITINE (M+H)+ 7.4345 0.3950 0.0937 0.5289 0.3011
CARNOSINE (M+H)+ 0.5085 1.5849 2.2939 0.5807 0.9569
CHOLESTEROL HYDROGEN SULFATE M+H NA 0.8166 NA 0.6779 1.5056
CHOLESTEROL (M+H)+[-H2O] 1.7827 0.4464 0.3345 0.9540 1.2222
CHOLIC ACID (2M+H)+ 1.0000 NA NA NA NA
CHOLIC ACID (2M+H)+[-H2O] 1.0000 NA NA NA NA
CHOLIC ACID (2M+NA)+ 1.0000 NA NA NA NA
CHOLIC ACID (M+NA)+ 2.9571 NA NA 0.0144 0.0285
CHOLINE M+ 0.1857 0.7183 0.9836 1.1672 1.0364
CHOLINE PHOSPHATE (M+H)+ 0.4733 0.5619 0.6507 0.6572 1.7808
CITRIC ACID (M+NA)+ 1.1498 1.5782 0.8676 0.8849 1.0316
CORTICOSTERONE (M+H)+ NA 0.8572 0.2330 0.6585 1.5309
CORTICOSTERONE (M+NA)+ NA 0.8910 1.2964 0.5756 1.7863
CORTISOL (M+H)+ 0.2305 1.3109 1.1174 0.7746 1.5645
CORTISOL (M+NA)+ 0.2675 1.5090 1.2435 0.8071 1.3791
CORTISONE (M+H)+ 2.2272 0.7516 0.1987 1.0880 0.7649
CREATINE (M+H)+ 0.5930 NA 0.9865 0.7618 2.3734
CYSTATHIONINE (M+H)+ 1.3178 0.9542 0.3042 0.9174 1.1688
CYSTATHIONINE (M+H)+[-H2O] NA 0.8226 NA 0.6172 1.6971
CYSTATHIONINE (M+NA)+ 0.8616 1.2875 NA 0.3036 2.2438
CYTIDINE (2M+H)+ NA NA NA 1.0000 NA
DECANOIC ACID (2M+NA)+ NA 0.2670 3.2104 0.4706 0.7908
DEHYDROEPIANDROSTERONE (M+H)+ NA NA NA 1.0000 NA
DEOXYCHOLIC ACID (2M+NA)+ 1.7475 NA NA 0.2525 NA
DEOXYCHOLIC ACID (M+NA)+ 3.4494 0.0774 NA 0.5061 0.4610
DEOXYURIDINE (M+NA)+ 1.6129 NA NA 0.3871 NA
DESMOSTEROL (M+H)+[-H2O] NA NA 0.0721 0.3122 2.1518
DIPALMITOYL-GLYCEROL (M+H)+[-H2O] 0.3632 0.1275 NA 1.2803 1.9487
DIPALMITOYL-GLYCEROL (M+NA)+ 1.7689 1.1909 0.6530 0.9974 0.8009
DODECENOYLCARNITINE (*) II M+ 1.7891 0.0541 NA 0.9836 1.0742
EICOSANOYLCARNITINE (*) (M+H)+ NA NA NA 1.2782 0.7218
EICOSENOYLCARNITINE (*) (M+H)+ 0.4874 NA 0.0458 2.1257 0.7384
ELAIDIC ACID (M+H)+ 0.4409 1.1805 2.8365 0.7167 0.8918
EPINEPHRINE (M+H)+ 0.0331 1.5404 0.1813 0.6510 1.9967
ETHYLMALONIC ACID (M+NA)+ 0.0206 NA 0.1644 0.8200 1.7250
FLUCYTOSINE (M+H)+ 0.4052 0.3620 0.2255 0.3070 2.8241
GLUCOSE (2M+NA)+ 0.6549 0.9726 0.1011 0.8862 1.4617
GLUCOSE (M+NA)+ 0.5143 2.0187 0.2590 0.2327 2.6039
GLUTAMINE (M+NA)+ NA NA NA 0.3182 1.3409
GLUTARYLCARNITINE (*) (M+H)+ 1.6487 0.2780 0.5500 0.4332 1.9301
GLUTATHIONE OXIDIZED (M+H)+ NA NA NA NA 1.0000
GLUTATHIONE OXIDIZED (M+H2)+2 NA NA NA NA 1.0000
GLYCEROL MYRISTATE (M+H)+[-H2O] NA 0.2781 2.4204 0.7672 NA
GLYCEROL MYRISTATE (M+NA)+ 0.3121 0.2042 6.9014 0.5185 0.4904
GLYCOCHOLIC ACID (2M+H)+ NA NA NA NA 1.0000
GLYCOCHOLIC ACID (2M+NA)+ NA NA NA NA 1.0000
GLYCOCHOLIC ACID (M+H)+ 0.5891 0.0380 0.0577 0.2028 3.3661
GLYCOCHOLIC ACID (M+H)+[-H2O] 0.4928 NA 0.0564 0.1856 3.1123
GLYCOCHOLIC ACID (M+NA)+ 0.2379 NA NA 0.1232 1.8386
GUANOSINE (M+H)+ 0.4193 1.3841 3.6899 0.8637 0.0259
HEXANOYLCARNITINE (*) M+ 2.5646 0.1983 1.6403 0.9048 0.7228
HIPPURIC ACID (M+H)+ 1.4670 1.1091 0.7026 0.9980 0.9105
HIPPURIC ACID (M+NA)+ 1.4330 1.0109 0.6449 0.9583 1.1198
HYPOXANTHINE (M+H)+ 0.9275 0.8768 3.2721 0.4217 1.4076
HYPOXANTHINE (M+NA)+ 0.9969 0.9288 2.2772 0.8706 0.8147
IBUPROFEN CARBOXYLIC ACID (M+NA)+ NA NA NA NA 1.0000
INDOLE-3-ACETIC ACID (M+H)+ 1.5954 0.7050 0.2734 0.8250 1.4920
INDOLE-3-ACETIC ACID (M+NA)+ 1.5542 0.7112 0.3162 0.8152 1.5091
ISO-BUTYRYLCARNITINE (*) (M+H)+ 3.5362 NA 1.2504 0.6807 0.6033
ISOLEUCINE (M+H)+ 0.7267 1.1735 0.4014 0.7932 1.6465
ISOLEUCINE (M+NA)+ 0.5675 1.1369 0.5321 0.9826 1.2777
ISOVALERYLCARNITINE (*) (M+H)+ 0.6716 NA NA 1.2039 0.7696
KYNURENIC ACID (M+H)+ 2.4659 NA NA 0.7307 0.6711
KYNURENINE (M+H)+ 0.4409 0.6636 0.4470 0.7591 1.8843
LANOSTEROL (M+NA)+ 0.7052 NA NA 0.1252 2.1696
L-ARGININE (M+H)+ 0.4868 1.3771 0.3524 1.0155 1.3530
L-ARGININE (M+NA)+ 0.1965 1.9253 0.2153 0.8680 1.4850
L-HISTIDINE (M+NA)+ NA 0.5357 NA 0.9097 1.2150
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+ 1.0036 1.0959 1.0883 1.0109 0.9156
LUMICHROME (M+NA)+ NA NA 1.0000 NA NA
LYSINE (M+H)+ 0.7924 0.8606 0.4051 0.9327 1.4486
LYSINE (M+NA)+ 0.7188 0.7187 0.2804 1.2879 1.0435
METHIONINE (M+H)+ 0.3963 0.8867 0.5613 0.7119 1.9614
METHYL BETA-D-GALACTOSIDE (M+NA)+ 0.3672 NA NA 0.5069 2.6190
METHYL INDOLE-3-ACETATE (M+H)+ NA 1.3579 0.5698 0.9612 1.1887
METHYL INDOLE-3-ACETATE (M+NA)+ NA 1.5839 1.3994 1.1698 0.5024
N-ACETYL-D-GLUCOSAMINE (M+NA)+ NA NA NA NA 1.0000
N-ACETYL-DL-METHIONINE (M+H)+[-H2O] NA NA NA 1.0000 NA
N-ACETYL-DL-SERINE (M+H)+ 4.7357 NA 0.4243 0.3131 0.7938
N-ACETYL-DL-SERINE (M+H)+[-H2O] NA 0.1834 0.0556 0.4048 2.5789
N-ACETYL-D-TRYPTOPHAN (M+H)+ NA NA NA NA 1.0000
N-ACETYL-D-TRYPTOPHAN (M+NA)+ NA NA NA NA 1.0000
N-ACETYL-L-LEUCINE (M+H)+ 0.4818 NA NA 1.2190 1.0268
N-ACETYL-L-LEUCINE (M+NA)+ 0.8097 NA NA 0.6361 1.1847
N-ACETYL-L-PHENYLALANINE (M+H)+ NA NA NA 1.0000 NA
N-ACETYL-L-PHENYLALANINE (M+NA)+ 1.3348 NA NA 0.8884 NA
N-ACETYLNEURAMINIC ACID (M+NA)+ 0.3786 NA 0.2422 1.2877 1.2679
NAPROXEN (M+H)+ NA 0.0022 NA 1.1075 1.4451
NAPROXEN (M+NA)+ NA NA NA 0.8548 1.0726
NICOTINAMIDE (M+H)+ 0.6562 NA 1.3721 0.8727 1.0495
NICOTINIC ACID (M+H)+ NA NA NA NA 1.0000
NONANOIC ACID (M+NA)+ 1.5243 0.7249 NA 1.0418 0.6255
OCTANOYLCARNITINE (*) (M+H)+ 2.7361 0.1310 1.1048 1.0061 0.6639
OCTENOYLCARNITINE (*) M+ 2.4369 0.1315 1.0845 0.8911 0.9638
OLEAMIDE (M+H)+ NA 0.9462 0.9527 1.0202 1.0000
OLEIC ACID (M+H)+ 1.0210 0.8704 0.4287 1.0525 1.1217
OLEIC ACID (M+NA)+ NA NA NA 0.6231 1.3769
OLEOYL-GLYCEROL (M+H)+ 0.2069 NA 3.3962 0.7987 0.3997
OLEOYL-GLYCEROL (M+H)+[-H2O] NA NA 1.0000 NA NA
OLEOYL-GLYCEROL (M+NA)+ 0.0477 0.1795 6.9277 0.2254 0.4718
OMEPRAZOLE (M+H)+ 2.2670 NA 1.1399 0.2274 0.3657
OMEPRAZOLE SULFONE (M+H)+ 3.2995 NA 0.4087 0.1433 1.0051
ORNITHINE (M+H)+ 1.1797 1.2338 0.3539 0.5474 1.8318
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (2M+H)+ 0.3655 0.3003 3.3239 NA 0.0104
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+H)+ 2.0243 0.4941 3.2081 0.0303 0.2129
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+NA)+ 1.4060 0.8211 3.5221 0.0555 0.1397
PANTOTHENIC ACID (M+H)+ 1.9050 0.3622 0.9046 0.6095 1.5935
PANTOTHENIC ACID (M+NA)+ 1.4717 0.2101 0.5468 0.4170 2.2288
PHENYLALANINE (M+H)+ 0.5686 0.5042 0.6476 1.1498 1.1906
PROGESTERONE (M+H)+ NA NA NA 1.0000 NA
PROLINE (M+H)+ 0.1491 0.1395 6.9048 0.2605 0.3416
PROPIONYLCARNITINE (*) (M+H)+ 3.4042 0.0143 0.6824 0.8339 0.7818
PROSTAGLANDIN E2 (M+H)+ 0.8338 NA 0.2562 0.4776 1.6516
RAFFINOSE (M+NA)+ 0.2233 0.2335 0.3062 0.8443 2.0051
RIBOFLAVIN (M+H)+ 1.3099 NA NA 0.4276 1.1312
S-ADENOSYL-L-HOMOCYSTEINE (M+H)+ 0.5391 1.0509 1.6980 0.4074 2.0412
SEBACIC ACID (M+H)+[-H2O] 1.0000 NA NA NA NA
SEBACIC ACID (M+NA)+ 2.7577 NA 0.3880 0.7582 1.0212
SEROTONIN (M+H)+ NA 0.4063 1.5937 NA NA
SEROTONIN (M+NA)+ NA NA 1.9613 0.5193 NA
SPERMIDINE (M+H)+ 0.0810 0.2173 7.8307 0.1731 0.0893
SUBERIC ACID (M+H)+[-H2O] 2.1916 0.3348 1.5341 0.6304 1.1393
SUBERIC ACID (M+NA)+ 2.0236 0.4668 1.1883 0.7632 1.1684
SUCROSE (M+NA)+ 0.6816 1.2836 NA 1.1347 0.8769
TAUROCHOLIC ACID (M+H)+[-H2O] NA NA NA 0.0953 1.4523
TAUROCHOLIC ACID (M+NA)+ NA NA NA 0.1299 1.4351
TETRADECENOYLCARNITINE (*) M+ NA NA NA 1.3476 0.6524
THEOBROMINE (M+H)+ 0.4626 0.5950 1.7542 0.7844 1.4939
THEOBROMINE (M+NA)+ 1.9491 3.2581 0.4541 0.3213 0.6874
THEOPHYLLINE (M+H)+ 0.9239 NA 1.1779 0.7013 1.7944
THEOPHYLLINE (M+NA)+ 0.8543 1.4282 1.6192 0.7274 0.9580
THROMBOXANE B2 (M+NA)+ NA 0.2811 0.6507 0.6606 3.0864
THYMIDINE (M+H)+ NA NA NA 1.0000 NA
THYMIDINE (M+NA)+ 1.9672 NA NA 0.0328 NA
THYROXINE (M+H)+ 1.5691 0.3383 NA 0.9930 1.0426
TRYPTOPHAN (M+H)+ 0.5489 0.6164 0.5160 1.2255 1.2141
TRYPTOPHAN (M+NA)+ 0.5178 0.6075 0.7346 1.1010 1.2791
TYROSINE (M+H)+ 0.7071 0.5434 0.4462 0.8669 1.7007
TYROSINE (M+NA)+ 0.9780 0.3198 0.2782 1.2772 1.1051
URIC ACID (M+H)+ 1.1195 1.1772 1.0547 0.9163 1.0503
URIDINE (M+H)+ NA 1.2646 3.2647 0.1569 NA
URIDINE (M+NA)+ 0.6098 0.9920 3.6005 0.5653 0.9857
UROCANIC ACID (M+H)+ NA NA NA 1.0000 NA
VALINE (M+H)+ 0.6542 1.1196 0.4799 0.6988 1.8513
VALINE (M+NA)+ 0.6184 0.9897 0.4192 0.8343 1.5452
XANTHOSINE (M+H)+ NA 0.3691 1.1805 1.4130 0.6245
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Factors:

F1level of dysplasia:HGD | malignant transformation:No
F2level of dysplasia:HGD & PDA | malignant transformation:yes
F3level of dysplasia:HGD & PDA | malignant transformation:Yes
F4level of dysplasia:LGD | malignant transformation:No
F5level of dysplasia:N/A | malignant transformation:No
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