Data for Untargeted metabolomics and lipidomics of scleroderma PAH discovery cohort (Study ST000763)

(Analysis AN001202)

Values for each metabolite have been scaled by dividing by the mean across all factors

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Metabolite	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12	F13	F14	F15	F16	F17	F18	F19	F20
16:0 LYSO PC (M+H)+	1.5030	1.3844	0.7160	0.9771	0.8619	0.8401	1.1907	1.2698	1.3364	2.2514	0.6647	1.2642	0.8213	1.4692	0.6575	0.7059	0.9596	1.8670	1.5496	0.6114
16:0 LYSO PC (M+NA)+	1.1251	1.4434	0.9637	1.0666	0.9436	1.6413	1.2090	0.4901	0.8615	1.1989	0.7058	1.2301	0.9408	0.9383	0.9423	1.3205	1.4348	0.4623	1.1279	0.8677
18:0 LYSO-PE (M+H)+	1.5404	1.4586	0.6912	0.4974	0.9554	0.7970	1.5116	1.5215	1.5784	1.1925	1.0445	1.0425	0.5864	0.6132	0.6890	0.7293	1.3639	2.0909	1.0663	NA
1-METHYLADENOSINE (M+H)+	0.9074	1.0725	0.9457	0.7184	1.0606	1.0130	1.1329	0.8847	1.0022	1.1058	1.1075	0.7905	0.9917	0.8066	1.0378	1.0777	0.9190	0.7796	1.0103	1.4416
1-METHYLADENOSINE (M+NA)+	1.0264	NA	0.9926	NA	1.0562	0.9484	1.2976	NA	0.9456	NA	0.9784	NA	0.9768	NA	0.9803	1.0559	1.0768	NA	0.9105	NA
3-DEHYDROXYCARNITINE (M+H)+	0.8380	NA	0.9243	NA	1.0938	NA	1.3386	1.1726	1.1261	NA	0.9230	NA	0.9930	NA	1.0246	NA	0.8310	1.0404	1.0746	NA
3-HYDROXYBENZALDEHYDE (M+H)+[-H2O]	0.9280	0.7260	1.2020	0.5375	1.0251	0.2467	0.6656	1.7097	1.0220	1.5431	0.9301	0.8518	1.0565	1.2253	0.8088	0.2873	0.7838	1.7045	1.1146	1.3521
3-METHOXYTYROSINE (M+H)+	2.3065	0.6989	0.7368	0.6864	0.8594	0.6084	0.8264	1.0038	0.8723	0.5693	2.3272	0.7278	0.7241	0.8467	0.6537	0.4685	0.8502	1.3851	0.8215	0.8530
3-METHYL-2-BUTENAL (M+NA)+	0.9268	0.9380	0.9626	0.7297	1.0124	NA	0.8873	NA	0.8820	0.9968	1.1835	0.9722	1.1008	0.9457	0.9937	NA	1.1321	NA	0.9088	0.9758
4-HYDROXY-3-METHOXYPHENYLGLYCOL (M+H)+[-H2O]	1.0224	0.8861	1.0158	0.9506	1.0616	0.9321	1.1109	0.8635	0.9688	1.1362	0.9995	0.9545	0.9970	0.9736	0.9697	1.0032	0.9372	0.8038	0.9363	0.9948
4-PYRIDOXIC ACID (M+NA)+	0.5825	0.5126	1.0971	0.8091	1.4930	0.5538	0.9088	0.6547	0.6285	0.7231	0.6756	0.6835	1.1702	1.0120	1.7049	0.5179	0.9188	0.6494	0.7361	1.1100
4-QUINOLINECARBOXYLIC ACID #2 (M+H)+	0.9267	1.1169	1.0196	1.7346	1.0044	0.5221	0.5919	NA	1.1312	NA	1.0504	1.1371	1.0388	1.4271	0.9817	0.7133	0.6020	NA	0.9279	NA
5-HYDROXYTRYPTOPHAN (M+H)+	0.9242	0.6291	0.8189	0.8782	1.2387	0.6569	1.2753	0.5747	1.1834	NA	1.0547	1.3207	0.8777	0.8302	1.1391	0.7593	1.2050	NA	1.0547	NA
5^-METHYLTHIOADENOSINE (M+H)+	0.9102	1.0811	0.9747	0.8228	1.0228	1.0629	1.2588	1.0113	0.9094	1.2714	1.1029	1.2559	0.9928	0.7049	0.9522	1.1389	0.9501	0.7167	1.0433	1.1082
5-OXOPROLINE (M+H)+	0.9869	1.0272	0.8802	0.9024	1.0814	0.9535	0.9352	1.5080	1.3424	0.9344	0.9912	0.7465	0.9008	0.8544	1.1398	1.0460	0.8024	0.9372	1.0818	0.9013
5-OXOPROLINE (M+NA)+	0.9187	1.0027	0.8675	0.7066	0.9933	1.0048	0.9775	1.5598	1.2374	0.9964	1.0452	1.0620	0.9126	0.8594	1.2096	1.0347	0.9760	0.9851	1.0823	0.9693
ACETAMINOPHEN (TN TYLENOL) (M+H)+	2.4033	0.9680	0.7310	0.3511	0.9965	3.0368	0.8647	NA	0.7692	NA	1.4881	0.6246	0.1083	NA	1.4955	2.8479	0.1859	0.0120	0.6377	NA
ACETAMINOPHEN (TN TYLENOL) (M+NA)+	2.1482	1.0267	0.4216	1.1148	1.2525	1.8875	0.9786	NA	0.7126	NA	1.8610	0.7959	0.1239	NA	1.4941	1.7939	0.0995	NA	1.3085	NA
ADENOSINE 5^-MONOPHOSPHATE (M+H)+	0.6827	0.9253	0.8682	0.8854	0.7688	0.8391	2.5454	NA	0.8675	NA	1.1044	0.6471	0.8264	0.8771	1.2292	1.3595	1.1240	NA	1.2266	NA
ADIPIC ACID (M+H)+	1.0416	1.0530	0.9913	0.9875	1.0850	0.9404	1.0298	NA	1.0080	NA	0.9525	1.0191	0.9693	1.0724	1.0419	1.0074	0.9512	NA	0.8882	NA
ADIPIC ACID (M+NA)+	1.1221	0.8033	0.8742	0.6424	0.7028	0.6731	0.8709	1.0481	1.2119	NA	1.1707	1.0286	0.9293	0.4357	0.9980	0.7661	1.0960	0.9132	1.4565	NA
ALPHA-LINOLENIC ACID (M+NA)+	1.1622	0.6539	0.8096	0.8329	0.9365	0.8601	1.1418	1.3003	1.0817	0.8318	1.3627	1.1634	0.8432	0.9649	1.0595	0.9573	0.9170	0.9456	1.0744	1.2770
ALPHA-TOCOPHEROL (M+H)+	1.0226	0.9647	0.9104	1.0101	0.9202	0.9973	1.2782	1.1993	1.0115	1.0254	1.1342	1.2243	0.8710	0.8134	0.9853	1.0429	1.2544	1.0700	1.0323	1.1736
AZELAIC ACID (M+H)+[-H2O]	0.7221	1.0843	1.0019	1.0578	1.2270	1.1350	0.8064	NA	0.8966	NA	0.7529	0.8165	0.9842	0.7846	1.2375	1.3087	0.9355	NA	1.0772	NA
AZELAIC ACID (M+NA)+	1.0433	1.8180	0.9151	1.2517	0.9682	0.9612	1.1787	0.7523	0.9554	1.1266	0.9136	0.9639	1.0739	0.8729	0.9288	0.8431	1.2496	0.8980	0.8445	0.9083
BILIVERDIN (M+H)+	0.8905	0.9171	1.1163	1.0802	0.8478	0.4369	0.9604	0.5527	1.1818	1.6639	0.9586	1.0573	0.9573	1.6033	0.8146	0.4386	1.0479	0.8296	0.9642	1.8517
BILIVERDIN (M+NA)+	0.9043	0.5581	1.1128	0.8069	0.9063	0.7047	0.9359	0.6962	1.1920	1.4852	1.0024	0.8294	0.9431	1.2340	0.8513	0.6875	0.9857	0.9302	1.0106	1.5937
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+	1.6836	NA	0.7456	1.8954	0.7497	0.6824	1.4773	1.6957	1.1096	0.5542	1.4054	NA	0.6162	0.6449	0.6604	0.8640	1.1440	0.5974	1.3337	0.5650
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+	0.8105	0.7413	0.7460	0.9197	0.5505	0.3226	0.9491	1.1334	0.9609	1.1050	1.3353	2.9695	0.6679	2.1659	0.7619	0.3542	1.5048	3.2928	2.2266	0.6932
CAFFEINE (M+H)+	0.7667	1.5056	1.1870	0.9619	1.4153	0.4674	0.7270	NA	0.9601	0.6558	0.7084	0.4773	1.1244	1.8399	1.0244	0.4706	0.6033	NA	0.7386	1.2872
CAFFEINE (M+NA)+	0.7848	1.3642	1.1581	0.7614	1.1877	0.4784	1.3936	NA	0.6503	1.0349	0.7787	0.7078	1.2727	2.2378	1.0127	0.6461	0.9781	NA	0.6164	1.4170
CHOLESTEROL (M+H)+[-H2O]	1.0391	0.8388	0.9824	1.1724	0.9828	1.0105	1.0247	0.9721	1.0061	1.1443	1.0261	0.8908	0.9606	0.9672	0.9889	1.0855	1.0009	0.9590	1.0340	1.0424
CHOLIC ACID (2M+H)+	3.2257	NA	1.2442	0.0080	1.2986	NA	1.0165	NA	NA	NA	0.0157	1.4601	0.6854	0.0617	NA	NA	NA	NA	NA	NA
CHOLIC ACID (2M+NA)+	2.6128	0.0143	0.3657	0.0084	3.4289	NA	1.3636	NA	0.0049	NA	0.0146	1.0204	0.6034	0.0748	1.3080	NA	NA	NA	NA	NA
CHOLINE M+	0.9301	0.7565	1.1000	0.7461	0.9906	1.0253	1.3217	0.6997	1.1114	1.3091	0.9582	0.5961	1.0479	0.6821	0.8362	0.4186	1.0647	0.7579	1.0101	1.0089
CITRIC ACID (M+NA)+	0.9782	0.8967	0.9399	0.8217	1.0223	0.6306	0.7672	0.7380	1.0946	0.8604	1.0424	0.9358	0.9938	0.8676	1.1066	0.7578	1.1157	1.1247	1.1239	1.1102
CORTICOSTERONE (M+H)+	1.5705	0.4559	0.9835	0.6397	1.1588	NA	NA	NA	0.8184	NA	1.2310	1.0334	0.7391	NA	0.7648	NA	1.3162	NA	2.1291	NA
CORTICOSTERONE (M+NA)+	0.9710	0.8040	0.9823	1.2833	1.0650	0.6670	0.5419	0.5604	0.7331	1.6806	1.0588	0.9746	0.8885	1.4998	0.8584	0.4968	0.6470	0.6775	1.7701	1.8249
CORTISOL (M+H)+	0.8854	0.8648	1.1195	1.5397	1.1079	0.5712	0.4962	0.7352	0.8300	1.3381	1.0051	0.9842	1.0534	1.2902	0.9851	0.4492	0.7344	0.6337	1.1637	1.2126
CORTISOL (M+NA)+	0.9081	0.8556	1.1047	1.3885	1.0995	0.6574	0.5391	0.8687	0.8523	1.3078	0.9977	1.0138	1.0614	1.1843	1.0093	0.5349	0.8091	0.7783	1.0786	1.1535
CORTISONE (M+H)+	0.9213	0.9740	1.1271	1.6897	1.0491	0.5569	0.5672	0.7349	0.7816	1.0794	0.9804	0.9082	1.1224	1.2642	1.0313	0.5019	0.7528	0.6073	1.0108	0.9289
CORTISONE (M+NA)+	0.8477	0.9648	1.1078	1.5521	1.0642	0.9332	0.6303	0.7439	0.8543	1.1098	0.9011	0.9313	1.1470	1.1901	1.0485	0.4499	0.8036	0.6995	0.9654	0.9212
DECANOIC ACID (2M+NA)+	0.4461	NA	1.0160	NA	0.9878	NA	1.7352	1.5110	1.3150	0.7067	0.8397	NA	NA	NA	0.3251	NA	NA	2.0531	0.9620	NA
DECANOYLCARNITINE (*) (M+H)+	0.7327	1.1766	1.2666	1.0304	1.3756	0.9758	0.6375	0.6133	0.8450	1.2724	0.7529	0.7344	1.0860	1.4759	1.1023	1.1099	0.6352	0.5756	0.6560	0.9268
DEOXYCHOLIC ACID (2M+H)+	1.6335	0.4376	0.6935	0.1838	1.2800	0.0624	0.9197	27.5158	0.2988	0.3050	1.3646	0.6798	0.4563	0.1726	0.6777	0.0645	0.3635	21.5803	0.3329	0.6905
DEOXYCHOLIC ACID (2M+NA)+	1.5698	0.1879	0.7939	0.1856	1.4407	0.0971	1.1316	24.7017	0.2321	0.3163	1.1291	0.8834	0.5365	0.1804	0.6518	0.0810	0.3073	22.1445	0.3031	0.2986
DEOXYCHOLIC ACID (M+NA)+	1.1048	0.6488	1.1354	0.7780	1.2663	0.1923	1.0024	5.8810	0.6491	1.0269	1.0596	1.3989	0.9915	0.6687	0.8637	0.1864	0.6959	6.0448	0.6874	0.5975
DESMOSTEROL (M+H)+[-H2O]	1.3317	NA	0.5728	2.3429	0.9833	1.1810	1.0963	2.7753	1.2410	2.2572	0.8191	NA	0.5884	0.5280	0.8028	0.8428	1.0858	3.6439	1.4170	0.3140
DODECENOYLCARNITINE (*) II M+	0.6622	0.7640	1.2295	0.9333	1.1824	0.4372	0.9476	0.7254	1.4205	0.7710	0.6800	0.8145	0.9730	0.8984	1.0398	0.2030	0.7406	NA	1.0360	1.4204
DOXYLAMINE (M+H)+	1.0291	0.9841	1.0322	0.8206	0.9820	1.0238	0.9081	NA	0.9664	1.4700	0.8910	0.9925	1.0416	1.1063	1.0201	1.0126	1.0232	NA	1.0297	0.6933
EDTA (M+H)+	0.6162	1.1512	0.9957	0.8259	0.9742	0.6086	1.2297	1.6318	1.2280	0.4407	0.8703	0.5328	1.0991	0.6089	0.8160	1.2100	1.0738	2.2499	1.2330	0.3960
EDTA (M+NA)+	1.0784	0.4424	1.0625	0.8910	0.8789	0.1874	0.5394	0.5450	0.8499	0.4951	1.1328	1.1348	1.1143	0.4482	1.1587	0.1643	1.8725	2.7708	0.6938	0.6627
ELAIDIC ACID (M+H)+	1.4376	1.2193	0.7188	0.8680	0.9702	0.9952	1.2190	1.9257	1.4202	1.1786	1.0832	1.3131	0.6401	0.9872	0.7703	1.0732	0.9503	1.4384	1.1926	1.2702
GLUCOSE (M+NA)+	0.7366	0.6324	0.8618	1.4669	0.7711	1.8575	1.3907	0.7726	1.1304	0.7403	1.3736	0.3936	0.6138	0.5887	1.6765	1.7330	0.9286	0.3663	1.2459	0.5562
GLUTARYLCARNITINE (*) (M+H)+	0.9611	1.2475	1.0529	0.9423	1.0599	1.2381	1.0464	1.1702	0.9788	1.7059	1.0362	1.1980	0.9269	0.9925	0.9502	1.5017	0.6415	0.2416	0.9453	1.1610
GLYCEROL MYRISTATE (M+H)+[-H2O]	0.7893	0.6991	1.0676	0.5916	1.1179	0.6001	1.3455	0.4616	0.7734	NA	1.1121	0.6916	1.0223	1.0128	1.2406	0.8918	0.7081	0.9098	0.9485	1.4578
GLYCEROL MYRISTATE (M+NA)+	0.8491	0.8805	1.0409	1.1199	1.1697	1.2627	0.7705	1.1065	0.9234	1.0626	0.8761	1.1099	1.0434	0.9835	1.0709	1.3916	0.8590	1.2261	0.9947	0.8326
GLYCOCHOLIC ACID (M+H)+	0.7550	1.1549	1.5009	0.4970	1.2881	1.0081	0.3613	1.4315	0.6668	0.4080	0.8546	1.2209	1.3917	0.5718	0.7890	1.7719	0.3453	1.1612	0.4863	1.0436
GLYCOCHOLIC ACID (M+H)+[-H2O]	0.7623	0.8991	1.4635	0.3295	1.2122	0.8476	0.3580	1.4156	0.8405	0.5256	0.8134	1.0410	1.2962	0.7359	0.7843	1.3914	0.4381	0.8197	0.6377	0.9140
GLYCOCHOLIC ACID (M+NA)+	0.7041	1.2548	1.4510	0.4412	1.4306	0.8492	0.3479	1.0995	0.8080	0.5186	0.7866	1.0954	1.3775	0.5927	0.6918	0.9326	0.4086	0.6867	0.4673	1.2374
HEXANOYLCARNITINE (*) M+	1.2042	1.0599	0.6575	0.5486	1.0678	0.9628	1.1865	0.7373	0.9478	2.7583	0.7973	0.3934	0.8151	0.6801	1.3915	0.5425	0.8340	0.2237	1.7298	0.5265
HIPPURIC ACID (M+H)+	0.8985	0.6717	1.2911	0.4239	0.9762	0.0125	0.5934	0.0665	0.9871	1.4370	1.2463	0.7933	1.1140	1.1126	0.8333	0.0280	0.7269	NA	1.0647	1.2928
HIPPURIC ACID (M+NA)+	0.7889	0.5822	1.2807	0.6995	1.0668	0.1669	0.6320	1.3734	0.9859	1.5103	0.9388	0.6927	1.0767	1.4334	0.8126	0.1922	0.8079	1.4664	1.0021	1.3528
IBUPROFEN CARBOXYLIC ACID (M+H)+[-H2O]	0.1704	NA	1.9708	NA	NA	NA	NA	NA	0.2405	0.0180	0.1396	NA	1.6447	NA	0.0554	NA	0.0249	NA	2.5424	NA
IBUPROFEN CARBOXYLIC ACID (M+NA)+	0.2304	0.0058	2.2749	0.0293	0.0146	0.0183	0.9185	0.0094	0.4165	0.0242	0.2019	NA	2.7685	0.0173	0.0268	0.0248	0.8554	0.0109	1.8111	0.0076
IBUPROFEN (M+NA)+	0.5561	NA	2.6883	0.3055	0.1436	NA	0.2188	NA	0.4607	0.0766	0.4545	NA	2.0062	NA	0.1861	NA	0.2200	NA	1.0884	0.1375
INDOLE-3-ACETALDEHYDE (M+H)+	1.3294	1.1894	0.8722	1.1818	0.8837	0.0659	1.1330	1.3630	1.0563	0.7496	1.2489	1.3971	1.0670	0.9852	0.8195	0.4177	1.0367	1.9019	0.8070	0.8552
INDOLE-3-ACETIC ACID (M+H)+	0.6963	0.9630	0.9531	1.1112	1.3934	2.0537	0.8681	1.3906	0.7388	1.1423	0.7809	1.1835	0.8601	1.3326	1.4567	1.9748	0.8715	1.3696	0.9018	0.7587
INDOLE-3-ACETIC ACID (M+NA)+	0.6723	0.9682	0.9152	1.0623	1.4813	1.9970	0.8307	1.2572	0.7206	1.1439	0.7490	1.1438	0.8329	1.3102	1.6469	1.8445	0.8637	1.3331	0.8522	0.7344
ISO-BUTYRYLCARNITINE (*) (M+H)+	0.8998	0.9135	1.0587	0.8135	1.2347	0.4477	1.2137	1.8487	0.6725	1.6590	0.7882	1.0120	1.0612	0.8655	1.1825	0.4768	0.7304	1.1788	0.9551	1.1149
ISOLEUCINE (M+H)+	1.0063	1.1377	0.9961	1.0363	1.0281	1.0355	0.9662	1.0294	0.9797	1.1753	0.9912	1.0943	0.9756	0.9936	0.9993	1.0690	0.9777	1.0680	0.9581	1.0731
ISOLEUCINE (M+NA)+	1.1398	1.0661	0.9515	1.0193	1.0093	0.9680	0.9487	0.6851	1.0476	1.1199	1.0298	1.2002	0.8877	0.9078	0.9826	1.0261	1.0381	1.2342	1.0762	0.9615
ISOVALERYLCARNITINE (*) (M+H)+	0.8202	0.7729	1.3069	1.0941	1.2959	0.6950	0.8032	0.5099	0.6776	1.9934	0.6941	0.7753	1.2244	0.7702	1.0758	0.7661	0.5750	0.3779	0.7936	0.6171
KYNURENIC ACID (M+H)+	0.9188	1.1046	0.8679	0.9534	1.4822	0.9981	0.6760	0.2528	1.0678	NA	0.9145	1.1241	0.7645	0.8093	1.5561	1.0960	0.7218	0.2252	1.0890	NA
KYNURENINE (M+H)+	0.9734	0.9730	0.8611	0.8012	1.2446	0.7456	1.0725	0.5243	1.0473	0.9885	1.0635	0.9515	0.8680	0.7643	1.1439	0.7872	1.2414	0.5569	1.0562	0.9805
KYNURENINE (M+NA)+	0.9635	0.7083	0.9984	1.2288	1.1643	0.5360	1.0727	0.3971	1.0796	1.3395	0.8465	0.7075	0.9543	0.7937	0.9929	0.5962	1.1672	0.3723	1.1932	0.9209
LAUROYLCARNITINE (M+H)+	0.7634	0.7019	1.3595	0.7867	1.1736	0.5024	0.7855	0.5510	1.1568	0.7712	0.8324	0.5236	1.1778	0.9220	1.1682	0.5646	0.6710	0.4980	0.4798	0.6072
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+	1.0177	0.9853	0.9382	0.9563	1.0506	0.9299	1.0216	0.9654	0.9995	0.9160	1.0288	0.9739	0.9635	0.9753	1.0851	0.9239	1.0573	1.0538	0.9978	0.9802
LUMICHROME (M+NA)+	0.9415	0.6297	0.9910	0.6273	1.9234	3.7790	0.7246	0.7542	0.7368	0.5245	0.6867	0.6715	0.7715	0.5321	1.5402	3.4045	0.6720	NA	0.5555	1.9966
LYSINE (M+H)+	0.8729	1.5621	1.1594	1.2095	1.0514	1.5390	1.0186	NA	1.0281	0.4403	0.7518	2.1329	0.9344	0.8994	0.9847	1.6499	1.1587	NA	0.9114	0.3346
METHIONINE (M+H)+	0.8629	0.8967	1.1422	0.9941	1.0855	0.9382	0.8945	0.8088	0.9122	1.5252	0.8659	0.9198	1.0584	0.9989	1.0844	0.9745	0.8549	0.9185	0.9044	0.8327
METHYL INDOLE-3-ACETATE (M+H)+	0.6206	0.3801	0.6450	1.1490	2.3387	0.6925	0.9780	0.7505	0.6122	0.7747	0.6914	0.9450	0.5914	1.2296	2.6511	0.5418	0.6256	0.7151	0.8545	0.7295
METHYL INDOLE-3-ACETATE (M+NA)+	0.7002	0.4518	0.7868	1.4054	1.9388	0.9104	1.0545	0.9367	0.6418	0.9635	0.7181	1.0950	0.6596	1.4955	2.0109	0.6533	0.7804	0.8859	0.7671	0.8594
METHYL JASMONATE (M+H)+	0.7109	NA	0.7569	NA	1.6367	0.6718	0.7823	1.0977	0.8461	NA	0.9936	NA	0.6739	NA	2.3077	NA	1.3267	0.9925	0.9408	NA
MYRISTOYLCARNITINE (*) (M+H)+	1.3652	1.6421	1.0900	0.3916	0.7357	NA	0.7951	NA	0.5756	NA	1.2626	1.3071	0.9295	NA	0.6640	NA	1.3526	NA	0.5394	NA
N-ACETYL-DL-SERINE (M+H)+[-H2O]	0.9107	0.8645	0.9247	1.1031	1.0464	1.1070	1.0825	1.4782	1.1501	1.1242	1.1040	1.2115	0.9278	0.9019	1.2795	1.1083	0.5891	0.8789	0.9103	1.0262
N-ACETYL-L-PHENYLALANINE (M+NA)+	0.9887	0.6896	1.1817	0.5941	1.1129	0.9269	0.5191	0.6465	0.8277	NA	0.9787	0.8337	1.1833	0.9205	1.1037	1.1530	0.6031	0.7870	1.0313	NA
NAPROXEN (M+H)+	0.1445	9.3167	0.6376	3.6760	0.0756	0.1135	0.2582	NA	0.0324	0.0270	2.5057	NA	0.1330	3.9683	0.1246	0.2289	0.1638	0.0011	NA	10.4774
NAPROXEN (M+NA)+	1.7837	1.1568	1.2310	1.4847	0.5761	1.0629	2.0449	NA	0.0010	0.0007	1.7021	NA	0.5021	0.9358	0.6265	1.0340	2.0725	NA	0.0011	1.3023
N-CYCLOHEXYLFORMAMIDE (M+H)+	1.0742	1.0834	1.0914	1.0565	1.1400	1.0816	0.9928	1.7977	0.8988	0.7917	0.9764	0.4773	0.8437	0.8932	1.0657	0.7603	1.1389	0.3631	0.9002	1.0941
N-CYCLOHEXYLFORMAMIDE (M+NA)+	1.0472	1.0614	1.0614	1.1234	1.1091	1.0515	1.0123	1.8401	0.8930	0.8073	0.9711	0.8306	0.8783	0.9035	1.0642	1.0257	1.1451	0.4703	0.8947	1.1332
NICOTINAMIDE (M+H)+	0.7173	0.6108	0.9998	0.7170	0.9181	1.2153	2.2724	0.3132	0.8262	0.9839	0.9562	0.6362	1.0738	1.1128	1.0369	1.2625	1.1183	0.4290	0.8459	0.9166
N-METHYL-GLUTAMIC ACID (M+NA)+	0.2677	0.3861	1.0590	0.1066	2.2732	0.2771	0.2221	0.1023	0.3228	NA	0.2819	0.4192	0.9424	NA	2.1864	0.4315	0.2540	0.0610	0.3590	NA
OCTENOYLCARNITINE (*) M+	1.3922	0.1803	0.8126	0.3733	0.9729	0.5306	0.8777	0.5157	0.8174	2.2727	0.9700	0.6227	1.1408	0.4345	1.0882	0.3141	0.7939	0.0918	1.5026	0.2614
OLEAMIDE (M+H)+	0.3926	NA	NA	NA	0.3130	NA	NA	NA	0.4171	0.8311	0.0793	NA	0.2125	0.0761	6.7668	NA	0.2286	NA	2.0032	0.5539
OLEIC ACID (M+H)+	1.2862	NA	0.7247	NA	1.0776	0.2675	0.9315	0.4061	0.9992	NA	1.1832	NA	1.2318	NA	0.8945	0.8383	1.1753	1.5436	0.8490	NA
OLEIC ACID (M+NA)+	0.8934	0.7924	0.8788	1.0611	1.2495	1.0845	0.8987	0.5241	0.5916	0.5085	1.3152	0.5678	1.0989	0.9143	1.3436	1.0019	0.7769	0.7943	0.9064	0.6644
OLEOYL-GLYCEROL (M+H)+	1.1505	NA	0.7094	0.4780	1.1543	1.5971	1.3944	1.0911	1.4224	0.6635	0.9575	1.0881	0.9673	1.1981	0.7972	1.0497	0.8892	1.9330	0.9579	0.4276
OLEOYL-GLYCEROL (M+NA)+	1.2405	1.6082	0.7013	0.9235	1.0362	1.2299	1.0476	1.6813	1.2291	1.2042	0.9922	2.5065	0.6604	0.7330	0.8295	1.1528	1.1443	2.5208	1.3768	0.9126
OMEPRAZOLE (M+H)+	0.3214	NA	0.7852	NA	1.1980	1.3886	0.9323	2.0332	2.0642	0.2745	0.3794	1.0834	1.3854	0.8197	1.3606	0.9219	0.0951	2.0850	1.4227	0.2814
OMEPRAZOLE SULFONE (2M+NA)+	0.4326	0.7439	0.4926	0.0238	0.8890	0.8283	2.1886	0.4041	1.7701	0.3695	0.6133	1.1623	0.3490	1.1125	1.0807	0.9385	1.7361	0.4038	1.4154	0.5428
OMEPRAZOLE SULFONE (M+H)+	0.3952	NA	0.9406	0.0018	0.9213	0.4632	1.5277	0.8186	2.1126	0.3023	0.6329	2.6206	0.5616	0.8904	1.6522	0.4402	0.8958	0.8254	1.5882	0.3309
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (2M+H)+	0.9436	0.6760	0.2250	0.0146	0.5115	0.4094	7.4077	NA	0.0106	NA	0.6435	0.5404	0.0064	NA	1.9229	0.3539	NA	NA	0.0090	NA
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+H)+	1.1350	1.2908	0.2514	0.0653	0.8219	0.8066	3.7693	NA	0.0879	NA	0.8434	0.5289	0.0365	NA	2.2485	0.8751	0.0120	NA	0.1143	NA
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+NA)+	1.9437	2.2081	0.6393	0.1959	1.6667	0.7327	0.1631	NA	0.4904	NA	1.7439	1.1268	0.1698	NA	1.4605	0.7316	0.0516	NA	0.3290	NA
PANTOTHENIC ACID (M+H)+	1.0844	1.3088	0.8065	0.3993	1.2820	0.6425	1.0817	0.9901	0.6172	0.8048	1.1395	0.6185	0.9768	0.5987	1.2973	0.7149	0.8813	1.0467	0.9750	2.6215
PANTOTHENIC ACID (M+NA)+	0.8614	0.9849	0.7865	0.5410	1.3999	0.8789	1.0171	0.1982	0.7482	0.6862	0.9732	0.8142	1.0001	0.6832	1.1174	0.9546	1.2321	0.6278	1.2323	2.7205
PHENYLALANINE (M+H)+	0.9850	0.8804	1.0006	1.3788	0.9762	0.7883	1.0898	0.9948	1.0322	0.5795	0.9649	0.8816	0.9479	0.9033	0.9858	0.7640	0.9826	0.9363	1.2631	1.0754
PHENYLALANINE (M+NA)+	1.1113	0.8006	0.9930	1.0956	0.9225	0.5404	0.8089	1.2174	1.1187	0.7743	0.9184	0.9173	0.9815	0.9396	1.0131	1.4274	0.9979	1.2881	1.1724	0.9140
PROLINE (M+H)+	1.1130	1.0757	1.0609	0.6518	0.9363	1.1361	1.0171	1.3083	1.0781	1.1847	0.8775	0.6063	1.0463	0.8142	1.0501	0.9641	0.7377	0.9866	0.9511	0.9133
PROLINE (M+NA)+	0.8378	NA	1.4314	NA	0.7714	0.1888	0.2212	0.4269	0.6658	NA	0.9590	NA	1.4488	NA	3.0211	0.1636	0.2353	0.3726	0.6708	NA
PROPIONYLCARNITINE (*) (M+H)+	0.8545	0.9496	0.8492	1.0299	1.0926	0.8831	2.1004	0.7156	0.7578	1.6564	0.9174	0.6463	1.0160	1.0490	0.7499	0.3288	1.3344	NA	1.3152	0.7227
S-ADENOSYL-L-HOMOCYSTEINE (M+H)+	0.9953	0.9287	0.9417	0.8660	1.0176	0.9893	1.2367	0.8057	0.9537	1.2435	0.9521	0.9591	0.8450	1.2089	1.1078	1.0677	1.3847	0.9364	0.9692	1.1952
SALICYLURIC ACID (M+H)+	1.3426	NA	1.5377	0.5435	0.3146	NA	0.1215	NA	0.0088	NA	0.7060	NA	0.4525	0.2105	2.1745	NA	NA	NA	NA	NA
SALICYLURIC ACID (M+NA)+	0.5741	NA	1.5521	0.5663	0.1635	NA	NA	NA	0.0078	0.0288	0.5325	NA	0.1508	0.2625	3.2284	NA	NA	NA	0.0198	NA
SEBACIC ACID (M+NA)+	1.1355	0.9477	0.7246	0.7504	1.3437	0.6374	1.4840	3.1472	0.7654	0.7003	1.0447	1.4872	0.6356	1.4231	1.2239	NA	1.4336	3.1020	0.7041	1.1530
SEROTONIN (M+H)+	0.3614	1.0209	0.6267	NA	3.9619	NA	1.5614	0.2513	0.5555	NA	0.6751	1.0965	0.6445	NA	1.6782	NA	1.1967	0.3607	0.7195	NA
SUBERIC ACID (M+NA)+	0.8077	1.1494	1.0984	0.6326	0.8530	0.8236	0.7229	NA	0.9385	0.8522	1.6429	1.7867	1.0045	0.5252	1.1510	NA	0.7205	NA	1.0776	0.7224
TETRADECENOYLCARNITINE (*) M+	0.6886	0.8975	1.0809	0.5971	1.3660	NA	0.8112	NA	1.3144	0.5590	0.7951	0.5589	0.5664	2.2473	1.9871	NA	0.9132	NA	0.8887	0.9497
THEOBROMINE (M+H)+	1.0356	0.4250	1.1590	1.4354	1.0676	0.4316	0.6162	NA	0.7952	1.6044	0.6924	0.2947	1.2987	0.7009	0.8558	0.5162	0.5747	NA	1.4334	0.5449
THEOBROMINE (M+NA)+	0.9864	0.7159	1.2184	0.7870	0.8623	0.6008	0.7687	0.1313	1.1497	1.7021	1.0346	0.5560	1.0049	1.1763	0.9186	0.8671	1.0043	0.0596	1.0158	0.4929
THEOPHYLLINE (M+H)+	0.8438	1.1081	0.8457	0.5325	1.2915	0.5852	0.9652	NA	0.8844	0.5667	0.7101	0.6555	1.5817	2.1509	0.7419	0.6074	0.7125	NA	0.8662	0.8475
THEOPHYLLINE (M+NA)+	1.0413	1.0782	0.9335	0.9935	1.1689	0.5141	1.1583	0.0894	1.1248	0.5812	0.9645	0.5094	1.2222	1.5619	0.7930	0.5440	0.9033	0.1055	0.8541	0.7549
THYROXINE (M+H)+	1.0728	1.0394	0.9742	0.9294	1.0214	0.7709	1.0496	0.8956	0.9980	0.9270	1.0816	1.1765	0.9566	0.9870	0.9631	0.8038	1.0279	0.9416	1.0443	0.8170
TRYPTOPHAN (M+H)+	0.8654	1.0292	1.1209	1.0109	1.0694	1.1049	0.8969	0.8029	0.9085	1.2384	0.8613	1.0664	1.0894	0.9954	1.0164	1.0992	0.8910	0.8050	0.9268	0.9030
TRYPTOPHAN (M+NA)+	0.9284	0.8884	1.1237	1.0983	1.0649	1.0080	0.7874	0.7372	0.9018	1.2204	0.8681	0.9184	1.1149	0.9502	0.9633	1.0233	0.8635	0.7572	1.0538	0.8172
TYROSINE (M+H)+	0.9317	0.8782	1.1532	1.0359	1.0489	1.0058	0.8427	0.8013	0.9003	1.2465	0.8568	0.9832	1.1221	0.8820	1.0120	1.0192	0.9006	0.8841	0.8687	0.8496
TYROSINE (M+NA)+	1.0561	0.6610	1.1211	0.9610	0.9630	1.0771	0.9365	0.9722	0.9694	1.3583	0.8600	1.0590	1.0432	0.9206	0.9250	1.1577	0.9298	1.1039	0.9235	1.1458
URIC ACID (M+H)+	0.7603	1.0353	0.8085	0.9193	0.9342	0.8188	0.5720	NA	0.8825	NA	1.1029	1.1185	1.1849	0.9488	1.1242	0.9561	1.5556	0.8810	1.0989	NA
URIDINE (M+NA)+	1.0086	1.6768	1.0472	1.3896	0.9146	0.7810	0.9557	0.4337	0.9207	0.8618	0.9537	1.1707	0.9513	1.0702	0.9084	0.9346	1.1994	0.8098	1.0544	1.3468
VALINE (M+H)+	1.0093	1.1844	1.0670	1.2698	0.9540	0.9645	1.1367	1.5493	1.1365	0.5960	0.9031	1.0297	0.9425	0.8009	1.0282	0.9600	0.9364	1.1571	0.8748	1.1298
VALINE (M+NA)+	0.6047	0.8159	0.5905	0.1870	1.0124	2.5514	0.3917	NA	0.5571	NA	2.4955	0.9342	0.8119	NA	1.6467	0.4980	0.5994	NA	1.7883	NA
ZEATIN [ISTD] (M+H)+	0.9692	0.9982	1.0202	0.9862	0.9877	0.9460	1.0186	0.9367	0.9319	0.9665	1.0480	0.9796	1.0632	1.0277	0.9720	0.9467	1.0144	0.9173	0.9439	0.9548

Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1	Exercise:No | Group:Borderline Pressures | Sex:Female | Type:Cath
F2	Exercise:No | Group:Borderline Pressures | Sex:Male | Type:Cath
F3	Exercise:No | Group:Healthy | Sex:Female | Type:Non-invasive
F4	Exercise:No | Group:Healthy | Sex:Male | Type:Non-invasive
F5	Exercise:No | Group:LowRisk | Sex:Female | Type:Non-invasive
F6	Exercise:No | Group:LowRisk | Sex:Male | Type:Non-invasive
F7	Exercise:No | Group:Normal Pressures | Sex:Female | Type:Cath
F8	Exercise:No | Group:Normal Pressures | Sex:Male | Type:Cath
F9	Exercise:No | Group:PAH | Sex:Female | Type:Cath
F10	Exercise:No | Group:PAH | Sex:Male | Type:Cath
F11	Exercise:Yes | Group:Borderline Pressures | Sex:Female | Type:Cath
F12	Exercise:Yes | Group:Borderline Pressures | Sex:Male | Type:Cath
F13	Exercise:Yes | Group:Healthy | Sex:Female | Type:Non-invasive
F14	Exercise:Yes | Group:Healthy | Sex:Male | Type:Non-invasive
F15	Exercise:Yes | Group:LowRisk | Sex:Female | Type:Non-invasive
F16	Exercise:Yes | Group:LowRisk | Sex:Male | Type:Non-invasive
F17	Exercise:Yes | Group:Normal Pressures | Sex:Female | Type:Cath
F18	Exercise:Yes | Group:Normal Pressures | Sex:Male | Type:Cath
F19	Exercise:Yes | Group:PAH | Sex:Female | Type:Cath
F20	Exercise:Yes | Group:PAH | Sex:Male | Type:Cath