Data for (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 |
