Data for Microbial ecology of nontuberculous mycobacteria (NTM) in cystic fibrosis (CF) sputum (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 |
