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 Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this studyMetabolite | F1 | F2 | F3 | F4 | F5 |
---|---|---|---|---|---|
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 |
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 |