Data for (Study ST000711)
(Analysis AN001110)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 | F6 |
|---|---|---|---|---|---|---|
| 10-HYDROXYDECANOIC ACID (M-H)- | 1.1832 | NA | NA | 1.1397 | NA | 0.5374 |
| 16:0-18:0 PC (M+CL)- | 1.0576 | 0.9320 | 0.8058 | 1.3118 | 0.7407 | 1.1109 |
| 16:0 LYSO PC (M+CL)- | NA | NA | 1.7591 | 1.0807 | 0.0795 | NA |
| 18:0 LYSO-PE (M-H)- | 0.1208 | 2.1747 | 0.6846 | 0.9364 | 0.9965 | 1.6269 |
| 1-HYDROXY-2-NAPHTHOIC ACID (M-H)- | NA | NA | 0.1063 | 1.2234 | NA | NA |
| 1-METHYLURIC ACID (M-H)- | NA | NA | 0.9673 | 1.2417 | 0.0481 | 0.1166 |
| 2^-DEOXYGUANOSINE #2 (M-H)- | NA | NA | NA | 1.5000 | NA | 0.5000 |
| 2^-DEOXYINOSINE (M+CL)- | 0.2944 | NA | 1.0384 | 1.3607 | 0.4363 | 0.9572 |
| 2^-DEOXYINOSINE (M-H)- | 0.0663 | NA | 2.1364 | 0.9373 | 0.4985 | 0.9666 |
| 2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)- | 0.8738 | 1.2965 | 1.4153 | 0.8775 | 0.4890 | 0.7640 |
| 2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M-H)- | NA | 0.7348 | 0.8034 | 1.4518 | 0.5928 | 0.6656 |
| 2-METHYLMALEIC ACID #2 (M-H)- | 0.1926 | NA | NA | 1.4037 | NA | NA |
| 2-METHYLMALEIC ACID (M-H)- | 0.1106 | 0.1372 | 2.8636 | 0.8001 | 0.4022 | 0.5106 |
| 3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)- | 0.6294 | 0.9234 | 1.3776 | 1.0520 | 0.5017 | 0.7192 |
| 3-METHOXY-4-HYDROXYMANDELIC ACID (M-H)- | NA | NA | 1.0000 | NA | NA | NA |
| 3-METHYL-2-OXOPENTANOIC ACID (M-H)- | 2.5664 | 0.7320 | 0.7292 | 0.9035 | 0.8046 | 1.0957 |
| 3-METHYLXANTHINE (M-H)- | NA | 1.7004 | 0.4334 | 1.3667 | NA | 0.5325 |
| 3-PHOSPHOGLYCERIC ACID (M-H)- | NA | 1.6839 | 0.1611 | 1.0775 | NA | NA |
| 3-SULFINO-L-ALANINE (M-H)- | NA | NA | 0.5087 | NA | NA | 1.9825 |
| 4-ACETAMINOPHEN SULFATE (M-H)- | 0.0406 | NA | 0.7602 | 1.3998 | NA | NA |
| 4-COUMARIC ACID (M-H)- | 0.6848 | NA | 1.1647 | 1.1505 | NA | NA |
| 4-HYDROXYBENZOIC ACID (M-H)- | 2.4110 | 0.2286 | 1.2150 | 0.7124 | 0.9434 | 0.9455 |
| 4-HYDROXYPHENYLACETIC ACID (M-H)- | NA | 0.8111 | 0.4307 | 0.5452 | 0.9045 | 2.9716 |
| 5-HYDROXYTRYPTOPHAN (M-H)- | NA | 1.4511 | 0.3578 | 1.3994 | 1.1417 | 0.8126 |
| ACETAMINOPHEN (TN TYLENOL) (M-H)- | 0.2689 | NA | 1.9123 | 0.4532 | NA | NA |
| ARACHIDIC ACID (M-H)- | 0.5084 | 1.5838 | 1.3926 | 0.8691 | 0.5711 | 0.8319 |
| ARACHIDONIC ACID (M-H)- | 0.4787 | 1.7311 | 1.2228 | 0.9288 | 0.5966 | 0.8972 |
| ASPARTIC ACID (M-H)- | 0.4175 | 1.3768 | 0.7981 | 0.9012 | 2.3768 | 0.8510 |
| AZELAIC ACID (M-H)- | 1.2239 | 2.0423 | 0.9025 | 0.9704 | 0.5427 | 0.7445 |
| BEHENIC ACID (M-H)- | 0.5784 | 1.4630 | 1.1910 | 0.9110 | 0.7762 | 1.0066 |
| BENZOIC ACID #2 (M-H)- | 0.1000 | NA | 1.4500 | NA | NA | NA |
| BILIVERDIN (M-H)- | NA | NA | 1.4931 | 0.9086 | 1.1842 | 0.8961 |
| C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (M+CL)- | NA | 1.6365 | 0.9484 | 0.7504 | 0.5442 | 0.8883 |
| CHOLIC ACID (M+CL)- | NA | 0.9979 | 1.7805 | 0.4811 | NA | NA |
| CHOLIC ACID (M-H)- | NA | 1.7179 | 1.4694 | 0.5741 | 0.2420 | NA |
| CIS-11-EICOSENOIC ACID (M-H)- | 0.4415 | 3.4015 | 1.2108 | 0.7003 | 0.5112 | 0.5747 |
| CITRULLINE (M-H)- | NA | 0.9125 | 0.3724 | 1.5052 | NA | 0.9748 |
| CORTISOL (M+CL)- | 0.4356 | 0.8193 | 0.6889 | 2.1006 | 0.5458 | 0.7981 |
| CORTISONE (M+CL)- | 0.8526 | 1.2396 | 1.2055 | 0.7374 | 1.0457 | 1.2468 |
| DECANOIC ACID (M-H)- | NA | NA | 1.1396 | 0.8281 | 0.9463 | NA |
| DEHYDROASCORBIC ACID (M+CL)- | 4.1656 | 1.2944 | 0.9419 | 0.8147 | 0.4128 | 0.4711 |
| DEOXYCHOLIC ACID (M+CL)- | NA | 0.9992 | 1.4072 | 0.7973 | NA | NA |
| DEOXYCHOLIC ACID (M-H)- | NA | 1.2947 | 0.9072 | 0.7517 | NA | NA |
| DETHIOBIOTIN (2M-H)- | 0.4261 | 0.2881 | 0.9659 | 1.0155 | 1.1200 | 1.3589 |
| D-GLUCOSE 6-PHOSPHATE (M-H)- | 2.6976 | 1.0113 | 0.1242 | 0.1555 | NA | NA |
| DOCOSAHEXAENOIC ACID (M-H)- | 0.4693 | 1.3757 | 1.5453 | 0.9958 | 0.2745 | 0.5090 |
| EPIBRASSINOLIDE [ISTD] (M+CL)- | 0.9453 | 0.9459 | 1.0222 | 1.0494 | 0.9155 | 0.9362 |
| ERUCIC ACID (M-H)- | 0.6983 | 1.3126 | 1.2346 | 1.0520 | 0.3759 | 0.7836 |
| FLAVIN ADENINE DINUCLEOTIDE (M-H)- | 0.2233 | 1.4373 | 1.0598 | 1.0945 | 0.8549 | 1.0656 |
| GENTISURIC ACID (2M-H)- | NA | NA | 1.0183 | 1.6085 | 0.3463 | 0.6062 |
| GLUCONIC ACID (M-H)- | 0.1833 | 0.3507 | 0.1727 | 0.2903 | 6.1222 | 1.6174 |
| GLUCOSE (M+CL)- | 0.5347 | 0.2893 | 1.6222 | 1.0837 | 0.2881 | 0.3308 |
| GLUCURONIC ACID (M-H)- | 1.1336 | NA | 0.3140 | 0.4076 | 3.6498 | 0.8622 |
| GLUTAMIC ACID (M-H)- | 2.4280 | 0.9952 | 0.5392 | 0.8688 | 2.6173 | 0.7627 |
| GLUTARIC ACID (M-H)- | 0.1910 | 0.6398 | 0.8779 | 0.9994 | 1.3847 | 1.6080 |
| GLUTATHIONE (OXIDIZED) (M-H)- | NA | 0.1653 | 1.0847 | 1.1500 | NA | NA |
| GLYCINE (M-H)- | NA | 0.8976 | 0.7689 | 1.2187 | NA | 0.9453 |
| GLYCOCHOLIC ACID (2M-H)- | NA | NA | 1.0000 | NA | NA | NA |
| GLYCOCHOLIC ACID (M-H)- | 0.2328 | 0.1895 | 3.3450 | 0.1060 | 0.0402 | 0.0876 |
| GLYCOLITHOCHOLIC ACID (M-H)- | NA | NA | 1.0000 | NA | NA | NA |
| HEPTADECANOIC ACID (M-H)- | 0.7905 | 1.4149 | 1.1017 | 0.9275 | 0.8871 | 0.9523 |
| HEXACOSANOIC ACID (M-H)- | 0.5261 | 1.6570 | 1.0846 | 0.9027 | 1.0560 | 0.9632 |
| HOMOVANILLIC ACID (2M-H)- | 0.6754 | 0.9448 | 0.9980 | 0.9960 | 1.1469 | 1.1713 |
| HYODEOXYCHOLIC ACID (M-H)- | 1.5176 | 0.7930 | 0.9385 | 0.8361 | 1.5149 | 1.0644 |
| IBUPROFEN CARBOXYLIC ACID (M-H)- | NA | NA | 0.6210 | 1.3790 | NA | NA |
| INDOLE-3-ACETIC ACID (M-H)- | NA | 0.7424 | 0.2863 | 0.3433 | 1.0813 | 2.6102 |
| INOSINE 5^-DIPHOSPHATE (M-H)+[-H2O] | NA | 0.9661 | 0.9665 | 1.0162 | NA | 1.0685 |
| INOSINE (M-H)- | 0.2905 | NA | 1.1117 | 1.0242 | 0.7410 | 1.1012 |
| KYNURENIC ACID (M-H)- | 1.1521 | NA | 0.0640 | 0.3441 | 2.1941 | 2.0891 |
| KYNURENINE (M-H)- | 0.2222 | 1.2227 | 0.4796 | 1.3260 | 0.9841 | 1.0851 |
| L-[15N]ANTHRANILIC ACID [ISTD] (M-H)- | 1.8438 | 0.8949 | 0.6357 | 0.9273 | 1.5337 | 0.9771 |
| L-ARGININE (M-H)- | 0.1829 | 1.3563 | 0.9194 | 1.1928 | 1.0744 | 0.8778 |
| LAURIC ACID (M-H)- | 0.4477 | 0.8833 | 0.8620 | 1.2935 | 0.8900 | 0.9147 |
| LEUKOTRIENE B4 (M-H)- | 0.2745 | NA | 2.1364 | 0.9239 | 0.3925 | 0.3645 |
| L-HISTIDINE (M-H)- | 0.1379 | 1.2598 | 1.1086 | 1.0819 | 1.0333 | 0.9165 |
| LIGNOCERIC ACID (M-H)- | 0.6843 | 1.2153 | 1.1160 | 0.9232 | 0.9850 | 1.0754 |
| LINOLEIC ACID (M-H)- | 0.4689 | 0.8421 | 1.6827 | 0.7078 | 0.7520 | 1.1359 |
| L-TRYPTOPHAN-15N2 [ISTD] (M-H)- | 1.5561 | 1.2762 | 0.6256 | 0.9825 | 1.4844 | 0.9236 |
| LYSINE (M-H)- | 0.2085 | 0.9898 | 1.3433 | 1.0435 | 0.7557 | 0.8801 |
| MANNITOL (M-H)- | 2.2339 | NA | 0.4479 | 1.4223 | NA | NA |
| M-HYDROXYMANDELIC ACID (M-H)- | 0.1008 | 0.3147 | 1.2255 | 1.5171 | NA | 1.3082 |
| MYRISTIC ACID (M-H)- | 0.7716 | 0.8678 | 1.2321 | 0.8854 | 1.0048 | 1.1170 |
| MYRISTOLEIC ACID (M-H)- | 0.5818 | 0.9701 | 1.2370 | 0.7149 | 1.2035 | 1.4051 |
| N-ACETYL-DL-METHIONINE (M-H)- | 0.6474 | 1.4488 | 0.9216 | 0.9555 | 1.1096 | 1.1532 |
| N-ACETYL-D-TRYPTOPHAN (M-H)- | NA | 0.6803 | 1.6497 | 0.7661 | NA | 0.5375 |
| N-ACETYL-L-CYSTEINE (M-H)- | NA | NA | NA | 0.5559 | 0.1600 | 1.7241 |
| N-ACETYL-L-LEUCINE (M-H)- | 0.9238 | 0.4534 | 0.8696 | 1.0937 | 1.0082 | 1.3640 |
| N-ACETYL-L-PHENYLALANINE (M-H)- | 0.4338 | 0.8815 | 1.3778 | 1.0704 | 0.4702 | 0.6541 |
| N-ACETYLNEURAMINIC ACID (M-H)- | 0.3004 | 1.3740 | 0.6029 | 1.4532 | 0.5473 | 0.4265 |
| NERVONIC ACID (M-H)- | 0.7763 | 1.6330 | 1.0885 | 0.8995 | 0.7948 | 0.9884 |
| NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDE (M-H)- | NA | 0.3771 | 1.0724 | 1.3900 | 0.6649 | 0.6763 |
| N-OLEOYLGLYCINE (M-H)- | 0.9812 | 1.2371 | NA | 1.0649 | NA | 0.5868 |
| OLEIC ACID (M-H)- | 0.4393 | 1.3913 | 1.5273 | 0.7749 | 0.6728 | 0.9516 |
| OMEGA-HYDROXYDODECANOIC ACID (M-H)- | 0.3500 | 0.6053 | 1.2389 | 1.2124 | 0.4606 | 0.9477 |
| ORNITHINE (M-H)- | 0.1576 | 0.6958 | 1.1239 | 1.1302 | 0.9584 | 1.1401 |
| OXALIC ACID (M-H)- | NA | 1.0318 | 1.6397 | 0.0199 | NA | 0.0291 |
| OXALOACETIC ACID (M-H)-[-H2O] | 0.9562 | 1.0405 | 0.9534 | 0.9734 | 1.2152 | 1.0318 |
| P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M-H)- | NA | NA | 0.0838 | 1.4581 | NA | NA |
| PALMITIC ACID (M-H)- | 0.6246 | 1.3618 | 1.4572 | 0.7707 | 0.7877 | 0.9241 |
| PALMITOLEIC ACID (M-H)- | 0.5262 | 0.9703 | 0.9488 | 0.9352 | 1.3319 | 1.4113 |
| PANTOTHENIC ACID (M+CL)- | 0.7334 | 0.7616 | 0.8247 | 1.2032 | 1.1067 | 1.0067 |
| PANTOTHENIC ACID (M-H)- | 0.6938 | 0.8479 | 0.9113 | 1.2540 | 0.8471 | 0.8780 |
| PHENYLALANINE (M-H)- | 0.4548 | 1.3881 | 0.7545 | 1.1632 | 1.3214 | 0.8099 |
| PHENYLPYRUVIC ACID (M-H)- | 5.9586 | 1.1764 | 0.5035 | 0.4603 | 0.9451 | 1.0518 |
| PHTHALIC ACID (M-H)- | 1.2910 | 0.5765 | 1.3082 | 0.9528 | 0.6093 | 0.8739 |
| PHYTANIC ACID (M-H)- | 0.3614 | NA | 2.7575 | 0.8683 | 0.5398 | NA |
| PIMELIC ACID (M-H)- | 1.7557 | NA | 0.8451 | 0.7091 | NA | NA |
| PROCOLLAGEN 5-HYDROXY-L-LYSINE (M-H)- | NA | NA | 1.0276 | 0.9448 | NA | NA |
| PROSTAGLANDIN E2 (M+CL)- | NA | NA | 1.0000 | NA | NA | NA |
| PROSTAGLANDIN E2 (M+CL)-[-H2O] | 0.2138 | 1.2934 | 0.5006 | 1.3584 | 0.6439 | 1.5657 |
| PROSTAGLANDIN E2 (M-H)- | 0.6220 | 0.8216 | 1.4035 | 0.9150 | 0.6157 | 1.2095 |
| PROSTAGLANDIN E2 (M-H)-[-H2O] | NA | NA | NA | 1.0000 | NA | NA |
| RIBOSE 5-PHOSPHATE (M-H)- | NA | NA | NA | NA | 1.0000 | NA |
| SALICYLATE #2 (M-H)- | 0.4573 | 1.7250 | 0.5843 | 1.0850 | NA | NA |
| SEBACIC ACID (M-H)- | 9.6625 | 0.2820 | 0.1871 | 0.1586 | 0.1522 | 0.1284 |
| SERINE (M-H)- | 0.3145 | 0.4971 | 1.3475 | 1.1182 | 0.8816 | 0.7483 |
| STACHYOSE (M+CL)- | 0.5355 | 0.6951 | 1.5157 | 0.9632 | 0.7141 | 0.6277 |
| STEARIC ACID (M-H)- | 0.5588 | 1.9238 | 1.3391 | 0.7953 | 0.7316 | 0.7931 |
| SUBERIC ACID (M-H)- | 1.2428 | 1.0938 | 0.9367 | 0.9858 | NA | 0.9101 |
| TAURINE (M-H)- | 0.1444 | 1.0729 | 0.9589 | 1.1366 | 1.1787 | 1.0751 |
| THEOPHYLLINE (M-H)- | 2.1995 | 0.4843 | 0.7483 | 1.0718 | NA | NA |
| THYMIDINE (M+CL)- | 0.2207 | NA | 0.6861 | 1.9887 | 0.1712 | 0.2535 |
| THYMIDINE (M-H)- | 0.0316 | NA | 1.1344 | 1.6575 | 0.1334 | 0.4063 |
| THYMINE (M-H)- | 0.1000 | 0.5463 | 0.9220 | 1.0736 | 1.1079 | 1.2885 |
| THYROTROPIN RELEASING HORMONE (M+CL)- | 0.5010 | 1.8837 | 1.8016 | 0.7068 | 0.2573 | 0.1328 |
| TRICOSANOIC ACID (M-H)- | 0.5101 | 0.9119 | 1.2097 | 1.0402 | 0.7329 | 1.0235 |
| TRIDECANOIC ACID (M-H)- | 0.8533 | 1.1932 | 1.0582 | 0.9859 | 1.0631 | 0.8482 |
| TRYPTOPHAN (2M-H)- | 0.4698 | 1.5242 | 0.7449 | 1.4447 | 0.9514 | 0.6409 |
| TRYPTOPHAN (M-H)- | 0.7372 | 1.4331 | 0.8901 | 1.0778 | 1.0484 | 0.8406 |
| URIDINE-5-MONOPHOSPHATE (M-H)- | 0.5093 | 0.9634 | 0.9216 | 1.3572 | 0.1097 | NA |
| XANTHOSINE 5^-PHOSPHATE (M-H)- | 2.4657 | NA | 0.5576 | 0.3034 | 1.4564 | 1.1746 |
| XANTHOSINE (M-H)- | 0.4892 | 0.9003 | 0.6660 | 1.2383 | 1.1334 | 1.2712 |
| ZEATIN [ISTD] (M+CL)- | 3.2974 | 1.8445 | 0.4374 | 0.7397 | 1.2817 | 0.6238 |
| ZEATIN [ISTD] (M-H)- | 2.5185 | 1.6242 | 0.6238 | 0.8396 | 1.0961 | 0.7410 |
Factors:
| F1 | M. abscessus:no | NTM pulmonary disease:no | pre-infection sample:no |
| F2 | M. abscessus:no | NTM pulmonary disease:no | pre-infection sample:yes |
| F3 | M. abscessus:no | NTM pulmonary disease:yes | pre-infection sample:no |
| F4 | M. abscessus:no | NTM pulmonary disease:yes | pre-infection sample:yes |
| F5 | M. abscessus:yes | NTM pulmonary disease:yes | pre-infection sample:no |
| F6 | M. abscessus:yes | NTM pulmonary disease:yes | pre-infection sample:yes |
