Data for Metabolic profiling of cyst fluid from patients with Intraductal Pancreatic Mucinous Neoplasm (Study ST000713)
(Analysis AN001113)Values for each metabolite have been scaled by dividing by the mean across all factors Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study| Metabolite | F1 | F2 | F3 | F4 | F5 |
|---|---|---|---|---|---|
| 16:0 LYSO PC (M+CL)- | NA | 0.1012 | 0.2620 | 1.8184 | NA |
| 16:0 LYSO PC (M+HCOO)- | 0.6323 | 0.2723 | 0.5464 | 1.6059 | 0.7084 |
| 18:0 LYSO-PE (M-H)- | 0.3219 | 0.1411 | 1.2350 | 1.3792 | 0.5135 |
| 1-METHYLURIC ACID (M-H)- | 0.9635 | 1.1860 | 0.4637 | 1.0833 | 1.0684 |
| 1-METHYLXANTHINE (M-H)- | 0.7757 | 3.3638 | 1.9049 | 0.4841 | 0.7676 |
| 2-DEOXY-D-GLUCOSE (M+CL)- | NA | NA | 0.8965 | 0.9202 | 1.1315 |
| 2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)- | 0.6303 | 0.7673 | 1.3517 | 0.9018 | 1.2799 |
| 3-(4-HYDROXYPHENYL)LACTIC ACID (2M-H)- | 0.3803 | NA | NA | 0.5604 | 1.6462 |
| 3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)- | 1.8194 | 0.1668 | 0.6447 | 0.7227 | 1.5852 |
| 3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)- | 1.0058 | 0.5854 | 0.4467 | 0.3279 | 2.8252 |
| 4-ACETAMINOPHEN SULFATE (M-H)- | 1.8241 | 2.4043 | 2.4367 | 0.0582 | 0.1602 |
| 4-HYDROXYBENZOIC ACID (M-H)- | 0.8552 | NA | NA | 0.5495 | 2.0459 |
| 4-NITROPHENOL (M-H)- | 1.0660 | 1.3074 | 1.2374 | 0.9606 | 0.8621 |
| 4-PYRIDOXIC ACID (M-H)- | 1.5185 | NA | NA | 0.4025 | 2.2739 |
| 5-HYDROXYTRYPTOPHAN (M-H)- | 0.6088 | NA | NA | 0.4179 | 1.7777 |
| 5^-METHYLTHIOADENOSINE (M+CL)- | NA | NA | 1.7487 | 0.2513 | NA |
| 5-OXOPROLINE (M-H)- | 0.2769 | 0.2063 | 0.1296 | 0.3918 | 3.0121 |
| 5-VALEROLACTONE (M+HCOO)- | NA | 0.5353 | NA | NA | 1.2324 |
| ACETAMINOPHEN (TN TYLENOL) (M-H)- | 0.3153 | 1.2986 | 3.1479 | 0.1191 | NA |
| ADIPIC ACID (M-H)- | 0.7004 | 0.2436 | 0.3074 | 0.3154 | 2.4957 |
| ALPHA-HYDROXYISOBUTYRIC ACID (M-H)- | 1.0288 | 1.5268 | 0.3335 | 0.9600 | 1.1036 |
| ALPHA-LINOLENIC ACID (M+HCOO)- | 0.5610 | 1.2980 | 1.0514 | 0.8822 | 1.2655 |
| ARACHIDIC ACID (M-H)- | 0.4885 | 0.6119 | 0.6885 | 1.0873 | 1.2291 |
| ARACHIDONIC ACID (M-H)- | 0.6097 | 0.5744 | 1.8121 | 0.7273 | 1.5466 |
| AZELAIC ACID (M-H)- | 1.6593 | 0.4976 | 0.9466 | 0.7324 | 1.5007 |
| BEHENIC ACID (M-H)- | 0.8355 | 0.5981 | 0.8452 | 1.1719 | 0.8966 |
| BENZOIC ACID #2 (M-H)- | NA | NA | NA | 0.9924 | 1.0076 |
| BENZOIC ACID (M-H)- | 0.4253 | 0.2772 | 0.4790 | 1.3416 | 1.0368 |
| BILIVERDIN (M-H)- | 0.9630 | 0.0573 | NA | 0.4881 | 2.1798 |
| CHOLIC ACID (2M-H)- | 1.0000 | NA | NA | NA | NA |
| CHOLIC ACID (M+CL)- | 1.9207 | NA | NA | 0.0793 | NA |
| CHOLIC ACID (M-H)- | 7.2692 | NA | NA | 0.1261 | 0.0755 |
| CIS-11-EICOSENOIC ACID (M-H)- | 0.3674 | 0.8206 | 3.5955 | 0.8194 | 0.7667 |
| CITRAMALIC ACID (M-H)- | 0.0413 | 0.2503 | 0.7438 | 1.0436 | 1.6113 |
| CITRIC ACID (M-H)- | 0.0534 | 0.0391 | 0.5183 | 1.1729 | 1.4507 |
| CORTICOSTERONE (M+HCOO)- | NA | 0.6929 | 0.8039 | 0.5618 | 1.7520 |
| CORTISOL (M+CL)- | 0.3166 | 1.0580 | 0.8928 | 0.7472 | 1.7497 |
| CORTISONE (M+CL)- | 2.3061 | 0.6818 | 0.4494 | 1.0165 | 0.8212 |
| DEHYDROASCORBIC ACID (M-H)- | 1.8712 | NA | NA | 0.5464 | 1.0359 |
| DEOXYADENOSINE (M+CL)- | NA | 1.5431 | 1.2971 | 0.1599 | NA |
| DEOXYCHOLIC ACID (M+CL)- | 2.2702 | NA | NA | 0.2391 | 0.4907 |
| DEOXYCHOLIC ACID (M-H)- | 3.7036 | NA | NA | 0.6568 | 0.4420 |
| DEOXYURIDINE (M+CL)- | 3.1912 | NA | 0.7708 | 0.3888 | 0.6302 |
| DEOXYURIDINE (M+HCOO)- | NA | NA | NA | NA | 1.0000 |
| DOCOSAHEXAENOIC ACID (M-H)- | 0.3768 | 0.5774 | 3.4474 | 0.7008 | 1.1312 |
| EDTA (M-H)- | NA | NA | NA | NA | 1.0000 |
| EPIBRASSINOLIDE [ISTD] (M+CL)- | 0.8860 | 0.8490 | 1.0088 | 1.0150 | 1.0553 |
| ERUCIC ACID (M-H)- | 0.9521 | 0.5999 | 0.9659 | 1.0027 | 1.1552 |
| ETHYLMALONIC ACID (M-H)- | 2.2196 | NA | NA | 0.4792 | 0.3012 |
| FUMARIC ACID (M-H)- | 1.0795 | 0.5446 | 1.5051 | 1.2281 | 0.7073 |
| GLUCONIC ACID (M-H)- | NA | 1.9493 | NA | NA | 0.5253 |
| GLUCOSE (M+CL)- | 3.8891 | 1.0152 | 2.2059 | 0.4394 | 0.7511 |
| GLUTAMINE (M-H)- | NA | 1.1082 | NA | 0.6792 | 1.2848 |
| GLUTARIC ACID (M-H)- | 4.1181 | 0.0859 | 0.8497 | 0.7298 | 0.6757 |
| GLUTATHIONE (OXIDIZED) (M-H)- | NA | NA | NA | NA | 1.0000 |
| GLYCERIC ACID (M-H)- | 1.8876 | 0.0831 | 0.7987 | 0.9927 | 1.0890 |
| GLYCOCHOLIC ACID (2M-H)- | NA | NA | NA | NA | 1.0000 |
| GLYCOCHOLIC ACID (M-H)- | 0.5754 | 0.0285 | 0.0485 | 0.1892 | 3.4041 |
| GLYCOLITHOCHOLIC ACID (M-H)- | 0.9178 | 0.0669 | NA | 1.1943 | 1.2162 |
| HEPTADECANOIC ACID (M-H)- | 0.7306 | 1.2206 | 0.7339 | 0.9212 | 1.2626 |
| HEXACOSANOIC ACID (M-H)- | 0.9027 | 0.8768 | 0.6133 | 1.1480 | 0.8596 |
| HIPPURIC ACID (M-H)- | 1.4592 | 1.1086 | 0.6820 | 0.9928 | 0.9287 |
| HYODEOXYCHOLIC ACID (M-H)- | 1.1839 | 1.0015 | 0.4568 | 1.2626 | 0.5941 |
| HYPOXANTHINE (M-H)- | 0.4381 | 0.7052 | 3.5798 | 0.9324 | 0.3075 |
| IBUPROFEN CARBOXYLIC ACID (M-H)- | 0.0662 | NA | NA | NA | 1.9338 |
| INDOLE-3-ACETIC ACID (M-H)- | 1.2666 | 0.5575 | NA | 0.8602 | 1.2916 |
| INOSINE 5^-DIPHOSPHATE (M-H)- | NA | NA | 0.3310 | 1.3701 | 0.5587 |
| INOSINE 5^-PHOSPHATE (M-H)- | NA | NA | NA | 1.0000 | NA |
| INOSINE (M-H)- | 0.5749 | 0.7874 | 4.0225 | 0.7438 | 0.4481 |
| ISOCITRIC ACID (M-H)- | 1.1116 | 0.1869 | 0.6832 | 1.1524 | 1.0855 |
| ISOLEUCINE (M-H)- | 0.3508 | 0.7167 | 0.3635 | 1.0975 | 1.3606 |
| KYNURENIC ACID (M-H)- | 1.8615 | NA | NA | 0.8749 | 0.6318 |
| L-[15N]ANTHRANILIC ACID [ISTD] (M-H)- | 0.1301 | 1.3637 | 1.4858 | 1.0999 | 0.8071 |
| LAURIC ACID (M-H)- | 0.6135 | 1.0106 | 1.3424 | 0.5601 | 1.8910 |
| L-HISTIDINE (M-H)- | 0.1315 | 0.4654 | 0.1511 | 1.6710 | 1.0797 |
| LIGNOCERIC ACID (M-H)- | 0.6524 | 0.8719 | 0.9658 | 1.1844 | 0.8012 |
| LINOLEIC ACID (M-H)- | 0.5237 | 0.9925 | 3.5916 | 0.6745 | 0.9483 |
| L-TRYPTOPHAN-15N2 [ISTD] (M-H)- | 0.9070 | 1.0516 | 1.0055 | 1.0308 | 0.9503 |
| MALEIC ACID (M-H)- | NA | 0.0495 | 2.4593 | 0.4911 | NA |
| MALIC ACID (M-H)- | 1.3080 | 0.0399 | 6.3904 | 0.4588 | 0.3226 |
| MALIC ACID (M-H)+[-H2O] | NA | NA | 1.3900 | 0.6100 | NA |
| MANDELIC ACID #2 (M-H)- | NA | NA | NA | NA | 1.0000 |
| MANDELIC ACID (M-H)- | 0.9837 | 0.7901 | NA | 0.9337 | 1.1794 |
| METHYL BETA-D-GALACTOSIDE (M+CL)- | NA | NA | NA | 1.0000 | NA |
| MEVALONIC ACID (M-H)- | 1.0586 | 1.0163 | 0.8775 | 0.6485 | 1.2502 |
| MYRISTIC ACID (M-H)- | 0.6595 | 1.4751 | 2.1886 | 0.7214 | 1.1161 |
| MYRISTOLEIC ACID (M-H)- | 0.3708 | 0.6225 | 1.5963 | 1.2528 | 0.7998 |
| N-ACETYL-DL-METHIONINE (M-H)- | 0.5476 | NA | NA | 0.9600 | 1.5323 |
| N-ACETYL-D-TRYPTOPHAN (M-H)- | 0.4857 | NA | NA | 0.2361 | 2.2782 |
| N-ACETYLGLYCINE (M-H)- | 0.5602 | NA | 0.3562 | 1.2481 | 1.0455 |
| N-ACETYL-L-ALANINE (M-H)- | 1.6245 | 0.7052 | 0.7581 | 0.9181 | 1.1072 |
| N-ACETYL-L-LEUCINE (M-H)- | 0.6704 | NA | NA | 0.9916 | 1.1773 |
| N-ACETYL-L-PHENYLALANINE (M-H)- | 0.9601 | NA | NA | 0.9579 | 1.1241 |
| NAPROXEN (M-H)- | NA | NA | NA | 0.6793 | 1.1604 |
| NERVONIC ACID (M-H)- | 0.8268 | 0.0939 | 0.1715 | 1.3455 | 0.9449 |
| OLEIC ACID (M-H)- | 0.3333 | 0.8108 | 3.1984 | 0.6872 | 1.1781 |
| OLEOYL-GLYCEROL (M+HCOO)- | 0.6558 | 2.1667 | 5.7520 | 0.4085 | 0.3247 |
| OMEPRAZOLE SULFONE (M-H)- | 2.6176 | NA | 0.3209 | 0.1554 | 0.9060 |
| OROTIC ACID (M-H)- | 1.2438 | NA | NA | 0.6456 | 1.2325 |
| O-SUCCINYL-L-HOMOSERINE (M-H)- | NA | 0.1782 | NA | 0.6076 | 1.7971 |
| OXALIC ACID (M-H)- | NA | 0.6966 | NA | 0.6228 | 1.3403 |
| OXALOACETIC ACID (M-H)-[-H2O] | 0.9131 | 1.0982 | 0.8389 | 1.0029 | 1.0441 |
| P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (2M-H)- | 0.3174 | 0.1454 | 3.5297 | NA | 0.0075 |
| P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M-H)- | 2.3958 | 1.8462 | 4.2164 | 0.0335 | 0.2037 |
| PALMITIC ACID (M-H)- | 0.3821 | 0.8626 | 0.7746 | 0.8589 | 1.6091 |
| PALMITOLEIC ACID (M-H)- | 0.4483 | 1.1834 | 3.0340 | 0.6486 | 1.1475 |
| PANTOTHENIC ACID (M-H)- | 1.8926 | 0.3948 | 1.0425 | 0.5321 | 1.6698 |
| PHENYLALANINE (M-H)- | 0.2957 | 0.4510 | 0.2791 | 0.9377 | 1.7620 |
| PHYTANIC ACID (M-H)- | 0.4189 | 0.5317 | 1.0175 | 1.1603 | 1.0235 |
| PTERIN (M-H)- | NA | NA | NA | NA | 1.0000 |
| PYRUVIC ACID (M-H)- | 1.4540 | 0.0656 | 1.0858 | 0.9877 | 1.1520 |
| QUINIC ACID (M-H)- | NA | 0.7309 | 0.2925 | 1.3256 | NA |
| RAFFINOSE (M+CL)- | 0.4481 | 0.1975 | 0.7609 | 1.3522 | 0.9441 |
| RIBOFLAVIN (M+HCOO)- | 0.5943 | NA | NA | NA | 1.4057 |
| S-ADENOSYL-L-HOMOCYSTEINE (M-H)- | 0.1099 | 0.1155 | 0.1594 | 2.5655 | 0.8281 |
| SALICYLATE #2 (M-H)- | 7.5335 | 1.3091 | 0.1420 | 0.3177 | 0.1423 |
| SALICYLURIC ACID (M-H)- | 1.6876 | NA | NA | NA | 0.3124 |
| SEBACIC ACID (M-H)- | 2.6687 | 0.6948 | 0.5193 | 0.7982 | 1.0421 |
| STACHYOSE (M+CL)- | 3.9587 | NA | 0.3833 | 0.5348 | 0.5189 |
| STEARIC ACID (M-H)- | 0.6547 | 0.7873 | 0.6534 | 0.9364 | 1.4286 |
| SUBERIC ACID (M-H)- | 1.8081 | 0.5798 | 0.6683 | 0.8672 | 1.2025 |
| SUCCINIC ACID (M-H)- | 1.0840 | 0.7744 | 2.9929 | 0.6457 | 1.0916 |
| SUCROSE (M+CL)- | 1.1142 | 0.9980 | 0.9602 | 1.4598 | 0.3628 |
| THEOPHYLLINE (M-H)- | 1.1244 | 1.9459 | 2.2134 | 0.5999 | 0.9056 |
| THYMIDINE (M+CL)- | 3.3410 | 0.8318 | NA | 0.4828 | 0.3788 |
| THYMIDINE (M-H)- | 1.1455 | NA | NA | 0.8545 | NA |
| THYMIDINE (M+HCOO)- | 1.6626 | NA | NA | 0.6687 | NA |
| TRANS-ACONITIC ACID (M-H)- | 0.5755 | 0.5877 | 0.3889 | 0.9323 | 1.8932 |
| TRICARBALLYLIC ACID (M-H)- | 0.2908 | NA | NA | 0.5601 | 2.1491 |
| TRICARBALLYLIC ACID (M-H)-[-H2O] | 1.4478 | 0.9501 | 1.9273 | 1.0557 | 0.4840 |
| TRICOSANOIC ACID (M-H)- | 0.5432 | 0.2113 | 0.3469 | 1.5644 | 0.8206 |
| TRIDECANOIC ACID (M-H)- | NA | NA | 1.2480 | 0.9173 | NA |
| TRYPTOPHAN (M-H)- | 0.4703 | 0.5552 | 0.4434 | 1.1574 | 1.3006 |
| TYROSINE (M-H)- | 0.3593 | 0.3698 | 0.2980 | 1.2524 | 1.2369 |
| URIC ACID (M-H)- | 0.0408 | 0.4417 | 2.1574 | 1.0718 | 0.9764 |
| URIDINE-5-MONOPHOSPHATE #2 (M-H)- | 0.6821 | NA | 0.2817 | 2.1065 | 0.2389 |
| URIDINE (M+CL)- | 0.3777 | 0.8486 | 3.0479 | 0.7006 | 1.0742 |
| URIDINE (M-H)- | 0.3918 | 1.2773 | 2.9624 | 0.6472 | 0.9266 |
| URSODIOL (M+HCOO)- | 5.6842 | NA | NA | 0.3840 | 0.5058 |
| XANTHINE (M-H)- | 2.2032 | 0.9040 | 1.8006 | 0.7024 | 0.9592 |
| XANTHOSINE (M-H)- | NA | 0.1590 | 1.7383 | 1.2758 | 0.2754 |
| ZEATIN [ISTD] (M+CL)- | 0.9755 | 1.0189 | 1.1547 | 0.9889 | 0.9725 |
| ZEATIN [ISTD] (M-H)- | 0.9241 | 1.0348 | 1.0193 | 1.0235 | 0.9602 |
Factors:
| F1 | level of dysplasia:HGD | malignant transformation:No |
| F2 | level of dysplasia:HGD & PDA | malignant transformation:yes |
| F3 | level of dysplasia:HGD & PDA | malignant transformation:Yes |
| F4 | level of dysplasia:LGD | malignant transformation:No |
| F5 | level of dysplasia:N/A | malignant transformation:No |
