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

(Analysis AN001201)

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
16:0-18:0 PC (M+CL)-	0.9286	0.7943	0.9482	1.2630	0.9358	1.2396	1.0062	0.5152	1.2024	1.2072	1.0669	0.9173	0.8973	0.8038	1.0234	1.3004	1.0755	1.4685	1.0421	0.9836
18:0 LYSO-PE (M-H)-	1.6945	1.7250	0.8063	0.4414	0.8050	0.4647	2.0153	1.0235	1.1820	1.0340	0.9588	1.0893	0.7943	0.5756	0.7202	0.4385	0.8226	1.3280	1.1815	0.8728
1-METHYLADENOSINE (M+CL)-	1.0811	0.7984	0.9728	0.8668	0.9557	1.2438	1.2656	1.3169	1.2099	1.2087	1.0437	0.7023	0.8299	0.7596	1.0512	1.4108	1.0609	0.9640	0.9074	0.9605
1-METHYLURIC ACID (2M-H)-	0.7751	0.3316	1.1665	1.6238	1.2993	0.0951	1.8307	NA	1.3784	0.6072	0.7503	NA	0.4408	1.9593	1.0175	0.0958	0.1176	NA	2.0231	0.6839
1-METHYLURIC ACID (M-H)-	0.9564	NA	0.6510	0.5006	1.3053	1.0028	0.5789	NA	1.0935	1.4306	0.9536	NA	0.8502	NA	1.3702	1.0915	0.6948	NA	1.6695	1.6323
1-METHYLXANTHINE (M-H)-	0.7810	0.3453	1.1336	0.4953	1.1701	0.8145	0.6833	NA	0.9001	1.5580	0.8667	0.0502	1.1400	1.0913	1.2316	0.8934	0.4507	0.0060	1.3879	0.6983
2-DEOXY-D-GLUCOSE (M+CL)-	1.1118	1.5540	1.2251	1.1629	0.8796	0.9110	0.9243	0.5693	1.4589	1.0449	1.1078	1.3811	0.7448	0.6465	0.7748	0.6351	0.8286	0.7384	0.9051	0.8027
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-	0.5880	5.0032	0.9332	2.3339	0.8775	1.2236	0.7502	1.0298	0.9697	1.6153	0.6423	0.4966	0.8357	0.8135	0.8891	1.2780	0.6108	0.9490	0.9755	5.9550
2-METHYLMALEIC ACID (M-H)-	0.7038	1.0403	0.9976	1.6236	1.3772	0.3133	0.5703	0.0748	1.1790	1.0633	0.9490	0.6906	1.0189	2.1032	0.9355	0.4001	0.5392	NA	0.6545	1.1959
3-(4-HYDROXYPHENYL)LACTIC ACID (2M-H)-	1.0825	0.8546	1.0256	1.1630	1.0963	1.0638	0.8039	NA	1.1777	1.3088	0.8620	1.1002	0.8719	1.5123	0.7480	1.3384	1.0900	NA	1.0413	0.7881
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)-	0.9184	0.9590	0.9075	0.4893	1.2498	0.8785	0.9485	1.6340	1.0845	1.0956	0.7831	0.4805	1.0539	1.4884	0.9626	1.1348	0.8275	1.9420	1.0864	1.5779
3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)-	1.0507	0.9151	0.5700	0.7203	0.8015	0.6429	0.8333	1.1766	1.5751	NA	0.8987	1.3750	0.9404	0.7306	1.0159	1.0586	0.9799	0.6775	1.4687	NA
3-METHOXYTYROSINE (M-H)-	3.7922	NA	0.3662	NA	0.3247	NA	0.3638	0.4947	0.3354	NA	4.8391	NA	0.3708	NA	0.5013	NA	0.3251	0.3743	0.3793	NA
4-ACETAMINOPHEN SULFATE (M-H)-	0.3316	0.0789	0.2589	1.9386	0.2479	0.2707	6.3241	NA	0.1125	NA	1.4661	0.2014	0.1072	0.0050	2.6595	0.2645	0.0368	NA	0.2654	NA
4-HYDROXYPHENYLACETIC ACID (M-H)-	1.5598	0.3896	0.7683	0.5498	0.8652	0.1601	1.5596	NA	1.7865	0.6097	1.1906	0.5374	0.9262	0.4470	1.1272	NA	1.5373	NA	1.1493	0.8491
4-NITROPHENOL (M-H)-	0.9867	0.9876	0.9572	0.8473	0.9512	1.2852	1.1218	1.2440	1.0262	1.1116	1.0670	1.0897	0.9896	0.8056	0.9586	1.2069	1.0020	0.7016	1.1013	0.8014
4-PYRIDOXIC ACID (M-H)-	0.5340	0.8017	1.2251	0.7576	1.6201	0.9937	1.0442	0.3922	0.5082	0.6523	0.6721	1.0323	1.0932	1.1405	1.5141	1.0573	0.8384	0.3860	0.6137	0.7968
5-HYDROXY OMEPRAZOLE (M-H)-	0.4912	0.9047	1.0156	0.0035	0.9358	1.0969	1.7158	0.9509	1.5004	0.3699	0.6322	1.2560	0.7460	1.1224	1.2532	1.1467	1.5389	0.9358	1.2254	0.2774
5-HYDROXYTRYPTOPHAN (M-H)-	1.0539	0.7894	0.9166	0.6920	1.1856	0.6434	1.2670	NA	1.1908	0.9990	1.1366	0.7236	0.7444	0.6086	1.0292	0.7237	1.3673	NA	1.0081	1.2662
5-OXOPROLINE (M-H)-	1.1058	1.0160	1.0257	1.0177	1.0709	0.9571	1.3193	NA	1.2976	0.9011	1.0241	0.8045	0.7890	0.7857	1.0918	0.9251	0.8827	NA	0.9091	0.8708
ACETAMINOPHEN (TN TYLENOL) (M-H)-	1.9640	0.2532	0.6695	0.3591	1.5306	1.3960	1.3656	NA	0.1558	NA	1.4258	0.2175	0.1654	NA	1.5596	1.1635	0.1446	NA	0.1526	NA
ADENOSINE 5^-MONOPHOSPHATE (M-H)-	0.7573	0.9145	0.8113	0.8998	1.0100	1.0759	0.6619	NA	0.9744	NA	1.0368	1.0965	0.9459	0.8320	1.3204	1.4042	0.6251	0.4660	1.4828	NA
ADIPIC ACID (M-H)-	1.0886	0.9469	0.8532	0.8234	0.8643	0.4895	1.2806	1.2086	1.1711	0.7751	1.1258	1.2680	0.8440	0.9874	1.0148	0.6705	1.1990	1.0588	1.2991	0.7065
ALPHA-HYDROXYISOBUTYRIC ACID (M-H)-	1.1856	1.9936	0.6975	0.7353	0.9562	0.8260	0.9305	0.6756	1.1149	1.2255	1.2178	1.2825	0.7678	0.8524	0.9708	0.6897	1.1825	0.7348	1.2356	2.3477
ARACHIDIC ACID (M-H)-	1.6831	2.4759	0.7394	0.6090	0.9240	0.8544	1.3480	1.3190	1.3453	0.9562	0.7890	1.7566	0.6927	0.7848	0.6308	0.6161	0.9007	1.4790	1.2476	1.7396
ARACHIDONIC ACID (M-H)-	1.4716	2.8271	0.7234	0.6001	0.8912	0.5977	1.8222	1.3034	1.4795	0.9852	0.9437	1.7967	0.6377	0.8093	0.6760	0.5467	0.8164	1.3947	1.2910	0.8493
AZELAIC ACID (M-H)-	0.9587	1.1335	1.0473	1.2348	1.0594	1.0878	1.0432	0.9582	0.9104	0.9553	0.8982	1.0727	0.9874	1.1129	1.0290	1.0797	1.0343	0.9072	0.9286	0.8277
BEHENIC ACID (M-H)-	0.9396	1.4496	0.7004	0.5163	1.0699	2.4306	1.3731	0.8592	0.9347	2.2738	0.6818	1.8032	0.7845	0.8316	0.9432	1.4554	1.5366	0.8471	0.9958	3.1554
BENZOIC ACID (M-H)-	0.9427	0.9008	1.1643	0.8913	1.1004	0.8877	1.2368	0.6805	0.9880	1.1523	0.8834	0.9110	1.0202	0.7458	0.9358	0.7357	0.9288	0.7577	0.8715	0.9443
BILIVERDIN (M-H)-	0.9644	1.0913	1.0342	1.5962	1.0099	0.4957	0.9093	0.5512	1.0870	NA	0.9686	1.0761	1.0233	1.6958	1.0910	0.4914	0.8557	0.7367	1.0136	NA
CHOLIC ACID (2M-H)-	2.5481	NA	0.4779	0.0168	1.5392	NA	0.5691	3.3127	NA	NA	0.5740	1.3333	0.4268	0.0675	NA	0.0210	NA	2.7381	NA	NA
CHOLIC ACID (M+CL)-	1.5753	0.1953	0.6036	0.2299	3.4740	0.1397	1.7062	4.2079	0.2423	0.0425	0.8754	1.7053	0.6075	0.3388	1.2784	0.1861	NA	3.8153	0.1317	0.0441
CHOLIC ACID (M-H)-	2.3161	0.3989	0.7288	0.3430	1.9261	0.2758	0.9072	9.9765	0.2512	0.1102	1.4058	3.6217	0.6698	0.5738	0.5521	0.3175	0.0970	9.3349	0.1641	0.1746
CIS-11-EICOSENOIC ACID (M-H)-	1.7048	2.6800	0.5658	0.8123	0.8877	0.6148	1.3922	2.1144	1.6517	1.2306	0.9803	1.5173	0.4760	0.8003	0.6690	0.4310	0.8118	1.3568	1.5480	1.1784
CITRAMALIC ACID (M-H)-	0.7607	0.5821	0.9931	1.0030	0.9966	0.9539	0.6546	0.3075	0.7809	1.8985	0.8778	0.7816	1.2990	0.8563	1.0964	0.8342	0.9697	1.5602	1.1651	0.9290
CITRIC ACID (M-H)-	0.9562	0.9730	1.0458	1.0393	0.9998	0.7436	0.9117	0.8792	0.9687	1.2349	0.9602	0.8964	1.0262	1.0037	1.0397	0.8382	0.9940	0.8035	1.0248	1.0056
CITRULLINE (M-H)-	1.0556	NA	1.0606	0.9514	1.0564	NA	1.1442	NA	1.0915	1.0306	0.8666	NA	1.2305	0.5841	0.7805	NA	0.7311	NA	0.8160	0.7617
CORTISOL (M+CL)-	0.9221	0.8165	1.0725	1.3210	1.0575	1.0443	0.6008	0.8125	0.9191	1.1695	1.0195	0.9359	1.0009	1.1116	0.9901	0.8320	0.8198	0.7262	1.1600	1.1342
CORTISONE (M+CL)-	0.8322	0.9897	1.0545	1.5894	1.0924	0.5505	0.6588	0.7970	0.8650	1.1326	0.8863	0.9628	1.1065	1.2678	1.1150	0.5320	0.8358	0.6885	1.0416	0.9627
DECANOIC ACID (M-H)-	0.9434	1.4545	0.8888	0.8680	1.8691	1.3623	0.5810	NA	0.9408	0.9833	0.7213	0.6765	0.7145	0.6033	1.2849	1.2526	0.5720	NA	0.8317	1.9936
DEHYDROASCORBIC ACID (M-H)-	0.9514	1.0643	0.9451	0.6951	1.0640	0.7686	1.1084	0.9575	1.0084	1.1174	1.0437	0.9270	0.9251	0.9314	1.0833	0.8035	1.0890	1.0728	1.0363	1.3329
DEOXYADENOSINE (M+CL)-	1.4156	0.8547	0.8082	1.5395	0.7934	0.7222	0.9692	0.6861	1.1277	0.6277	1.0006	0.6752	0.8724	1.0165	0.8553	0.5653	1.6927	1.5404	1.0794	0.9571
DEOXYCHOLIC ACID (2M-H)-	1.5048	0.1970	0.7327	0.2469	1.0351	0.2939	0.8182	34.6838	0.4266	0.3361	1.0042	0.8432	0.5188	0.2410	0.4906	0.2166	0.3250	27.1711	0.4015	0.1895
DEOXYCHOLIC ACID (M+CL)-	1.2546	0.6684	0.9874	0.7009	1.1908	0.3850	1.0284	11.4533	0.6078	0.8016	1.0655	1.2602	0.8378	0.6366	0.7431	0.3184	0.5670	8.7462	0.7618	0.6273
DEOXYCHOLIC ACID (M-H)-	1.2560	0.6387	1.0175	0.7401	1.1858	0.2574	1.1633	7.8742	0.5962	0.9052	1.1613	1.3165	0.8791	0.6657	0.8765	0.2282	0.6989	7.2408	0.7194	0.5534
DEOXYURIDINE (M+CL)-	0.7686	0.8370	0.9824	1.1058	0.7409	2.1743	1.7180	1.7460	1.2443	0.9925	0.6572	0.8758	0.8286	0.9207	0.8164	2.4324	1.3576	1.6299	1.1740	0.8614
DOCOSAHEXAENOIC ACID (M-H)-	1.3159	2.1213	0.7929	0.5933	0.9036	0.3865	1.5724	1.6343	1.2769	0.9762	0.8565	1.4750	0.9129	1.0038	0.6560	0.3541	0.6777	1.6779	1.3432	1.4695
DUMP (M-H)-	0.6362	1.5080	0.7679	0.7085	0.9956	0.8178	0.5805	0.3686	0.6643	0.6682	1.2066	0.9936	1.2424	0.8727	1.3310	1.1981	1.3409	0.8100	1.1601	0.7536
EPIBRASSINOLIDE [ISTD] (M+CL)-	0.9506	0.9838	1.0114	0.9673	1.1029	0.9224	0.8891	1.0072	1.0006	0.9648	0.9815	0.9793	0.9766	0.9867	1.1121	0.9551	0.9147	1.1130	0.9672	1.0290
ERUCIC ACID (M-H)-	1.5174	2.2330	0.8513	0.4787	0.9182	0.6199	1.3965	1.9300	1.2303	0.7814	0.6613	1.5284	0.7908	0.6676	0.8557	0.4168	0.7538	1.8741	1.1997	1.2353
ETHYLMALONIC ACID (M-H)-	0.8097	0.7265	0.8413	0.7118	1.0472	0.2446	0.9300	1.1599	1.1885	0.6310	1.0533	0.8954	1.0887	0.5542	1.1988	0.3524	0.5196	1.2364	1.5032	0.8133
GLUCOSE (M+CL)-	0.8304	0.6691	0.9918	0.7960	0.7542	3.3986	1.8726	2.0700	1.0702	0.5933	1.6206	1.2166	0.8652	0.5196	0.7886	0.5448	0.9942	2.7582	0.6271	0.7225
GLUTAMINE (M-H)-	0.9971	0.6588	1.0071	0.7333	0.8988	0.9499	0.8176	2.0824	0.9913	0.6686	1.0899	0.5802	1.0250	0.9287	1.0288	0.7426	1.1461	3.4018	1.0263	1.1172
GLUTARIC ACID (M-H)-	0.7901	NA	1.7324	1.3580	1.3297	0.1631	1.0026	3.9042	1.5573	0.2288	0.5233	NA	0.4931	0.1097	0.9042	0.5274	0.4144	0.5166	1.1359	0.4508
GLYCERIC ACID (M-H)-	0.9452	0.4881	0.9370	0.7403	0.8517	0.5554	0.8071	0.9974	0.8787	0.1245	1.1077	0.7684	1.0498	0.9627	1.3797	0.6235	1.3053	3.1230	1.0490	1.0084
GLYCOCHOLIC ACID (2M-H)-	0.8181	0.2984	1.6462	0.1507	0.9833	0.4034	NA	NA	0.6001	0.1827	0.8923	0.8277	1.7859	0.5913	0.2316	0.5309	0.4388	NA	0.1999	0.8052
GLYCOCHOLIC ACID (M-H)-	0.8939	1.1292	1.4445	0.6162	1.3464	1.1183	0.3196	1.6691	0.7273	0.4602	0.9612	1.4348	1.3459	0.4738	0.7139	1.1560	0.3249	1.2169	0.5079	1.1668
GLYCOLITHOCHOLIC ACID (M-H)-	0.9791	NA	1.1957	0.9284	1.2638	0.1647	0.7437	NA	0.8241	1.2505	0.9914	1.2096	0.9998	0.5304	0.9966	0.5500	0.5081	NA	0.7728	0.7097
GUANOSINE 5^-PHOSPHATE (2M-H)+	1.1079	0.9925	0.9718	0.8932	1.0268	1.2960	1.0253	1.6855	1.2209	1.0789	0.8782	1.0097	0.9579	0.9875	0.9171	0.7777	0.8761	0.4770	1.0757	0.9579
HEPTADECANOIC ACID (M-H)-	1.3909	1.9139	0.7975	0.6628	0.9743	0.6860	1.2603	1.3059	1.2572	0.7704	0.9741	1.4210	0.7528	0.9521	0.8560	0.6133	0.9819	1.3583	1.1889	1.2254
HIPPURIC ACID (M-H)-	0.8433	0.5753	1.2965	0.5501	1.1018	0.1725	0.5536	1.6748	0.9287	1.4250	0.9583	0.7355	1.0532	1.3155	0.9563	0.2038	0.6424	1.6644	1.0504	1.3316
HYODEOXYCHOLIC ACID (M-H)-	0.5722	0.1483	0.3214	0.4243	0.5282	0.7565	0.3775	0.1417	0.6568	0.3137	0.4136	0.2983	0.2598	30.9654	0.5162	0.3126	0.3505	0.2470	0.4305	0.4233
IBUPROFEN CARBOXYLIC ACID (2M-H)-	0.0172	NA	1.8860	NA	NA	NA	0.0009	NA	0.0821	NA	0.0124	NA	1.5661	NA	0.0014	NA	NA	NA	1.9001	NA
IBUPROFEN CARBOXYLIC ACID (M-H)-	0.1604	0.0073	2.3037	0.0297	0.0151	0.0090	0.3423	NA	0.2157	0.0200	0.0829	NA	2.9980	0.0145	0.0314	0.0061	0.2866	0.0255	2.0303	0.0243
IBUPROFEN (M-H)-	0.1868	0.0386	2.8133	0.0512	0.0334	0.0392	0.5342	NA	0.0826	0.0344	0.2384	NA	2.1467	NA	0.0545	0.0261	0.4482	NA	0.9171	0.0236
INDOLE-3-ACETIC ACID (M-H)-	0.6685	0.8754	0.7642	0.9531	1.8586	1.8493	0.7270	1.1878	0.7401	1.0854	0.7021	1.0979	0.7363	1.2367	1.9295	1.8756	0.7146	1.1586	0.8219	0.8119
ISOCITRIC ACID (M-H)-	1.0618	1.0548	0.9808	0.8439	0.9433	0.7796	0.9300	0.8485	1.1876	1.0374	0.9352	0.7945	1.0066	1.2252	0.8986	0.7182	1.2469	2.1427	0.9277	1.0057
ISOLEUCINE (M-H)-	1.0451	1.1332	1.1369	0.8521	1.0952	1.1552	0.9236	1.4657	0.8956	1.5463	0.8698	1.0556	0.9856	0.9947	0.9755	1.0585	0.7476	1.3684	0.8278	1.1796
KYNURENIC ACID (M-H)-	1.0152	1.1547	0.8919	1.0193	1.2226	1.0675	0.9011	NA	1.1182	1.5439	0.8616	0.9640	0.8910	0.8277	1.1049	1.1234	0.8172	0.2721	1.0761	1.5054
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-	0.7518	0.6742	0.9077	0.7467	0.8887	1.8255	0.8297	0.3260	1.3143	0.9963	0.8379	0.6920	1.1688	0.6097	1.4635	1.6457	0.8141	0.5781	0.9950	0.7171
LAURIC ACID (M-H)-	1.1511	1.9475	0.8374	1.1893	1.1030	0.4723	0.8767	0.8365	1.3201	0.8966	0.8684	0.6625	0.8238	0.7992	0.8471	0.3777	0.6449	0.9369	1.4856	2.3749
L-HISTIDINE (M-H)-	1.0304	1.0084	1.1217	0.6147	0.9331	0.7897	0.7892	1.5964	0.9082	1.0938	1.0037	0.7136	1.0622	0.9228	1.1177	0.7141	1.0233	2.0004	0.8116	1.1001
LIGNOCERIC ACID (M-H)-	1.0018	0.5698	1.0230	0.7242	1.1073	2.7570	0.7659	0.9465	0.7596	1.1188	0.7748	1.9787	1.0528	1.1393	0.9756	2.2655	0.9132	0.9745	0.6989	1.5575
LINOLEIC ACID (M-H)-	1.6618	2.0505	0.6556	0.6472	0.8794	0.5597	1.4138	1.6605	1.5675	0.9276	1.0652	1.6864	0.6030	0.7278	0.6836	0.4527	0.8818	1.5234	1.4009	1.0323
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-	0.9888	0.9162	0.9949	1.0032	1.0998	0.9875	0.9118	0.8630	0.9606	0.9555	0.9626	0.9969	0.9827	0.9658	1.1558	0.9751	0.9594	0.9633	0.9635	0.8807
LYSINE (M-H)-	0.9908	1.1157	1.1454	1.2588	1.0588	0.8318	0.9925	1.1211	0.8537	1.1991	0.8373	0.8800	1.0560	1.0502	0.9964	0.8969	0.9169	1.0560	0.8398	0.8839
MALIC ACID (M-H)-	0.8149	1.4171	0.9958	1.0248	1.0165	1.2123	1.0901	0.0179	0.9351	0.7295	1.0657	0.9493	1.0017	0.9882	1.1329	1.2115	0.9415	1.0765	0.9444	1.2485
MANDELIC ACID #2 (M-H)-	1.7594	5.0815	0.4122	0.3351	0.3603	0.3493	2.5154	2.6704	3.0331	0.1626	0.3474	0.6806	0.1805	0.1056	0.5914	0.4687	0.8512	0.1349	0.6496	0.5662
MANDELIC ACID (M-H)-	0.9489	0.9786	0.9917	1.1028	1.2113	1.7060	0.9922	1.4416	0.7507	1.0624	0.9828	0.9845	0.9863	0.8895	1.2467	1.7912	0.5914	1.3324	0.8035	0.9715
METHYLMALONIC ACID (M-H)-	0.9613	1.7115	0.8852	0.9407	0.9971	0.9477	0.8918	1.6333	1.0294	1.0301	1.1551	0.6755	0.7751	1.5839	1.1130	1.0671	0.9946	2.0779	1.1928	1.2675
MEVALONIC ACID (M-H)-	0.8330	0.8157	1.1332	0.8080	0.8228	0.6150	0.8407	1.0536	1.2200	0.5792	0.9589	0.5456	1.2062	0.8298	0.9808	1.7796	0.8065	0.8449	0.9812	1.0850
MYRISTIC ACID (M-H)-	1.5395	1.6176	0.7545	0.9548	1.1484	0.6670	1.0110	1.3662	1.2889	1.1540	0.9870	1.1002	0.6970	1.0519	0.8234	0.5760	0.7670	1.3263	1.2237	1.4043
MYRISTOLEIC ACID (M-H)-	1.1983	1.0352	0.8995	1.0081	1.0318	0.4537	0.8365	2.1888	1.4130	1.1798	0.9595	0.4274	0.8080	1.1272	0.9254	0.3871	0.5696	1.9633	1.4011	1.1599
N-ACETYL-D-GLUCOSAMINE (M+CL)-	1.1794	NA	0.7676	NA	0.4422	0.4530	3.3014	2.1584	0.8119	NA	1.3390	NA	0.5439	NA	0.9583	1.8587	0.7063	1.8653	0.6503	NA
N-ACETYL-DL-METHIONINE (M-H)-	0.8675	0.7202	0.9737	0.7820	1.0610	0.9084	1.5261	NA	1.0375	NA	0.9315	0.9021	0.9517	0.8054	1.1193	1.0822	0.8755	NA	1.0005	NA
N-ACETYL-D-TRYPTOPHAN (M-H)-	1.0005	1.4734	1.0365	1.0198	1.0738	0.6757	1.1202	NA	0.8129	1.2896	0.9010	0.6900	1.0463	1.1402	1.0262	0.6693	0.7538	NA	0.8499	1.3171
N-ACETYLGLYCINE (M-H)-	1.8991	0.3926	0.5659	0.4767	0.4914	0.5890	1.1624	3.2824	1.3788	NA	0.8273	0.3328	0.5613	0.7353	0.6773	0.8758	1.5117	11.7153	1.0123	NA
N-ACETYL-L-ALANINE (M-H)-	1.0628	1.0195	0.8790	0.8545	0.9881	0.6854	1.1149	0.9968	1.0843	1.1171	1.0390	0.9866	0.9235	0.9029	1.1097	0.7312	1.0492	1.1188	1.0541	1.3844
N-ACETYL-L-LEUCINE (M-H)-	1.0331	1.2445	0.9995	0.7585	0.9954	0.9212	0.7794	1.0342	0.9681	0.8265	0.9316	0.8717	0.9903	0.9929	1.0899	0.9273	0.8474	0.9329	1.1772	1.6699
N-ACETYLNEURAMINIC ACID (M-H)-	0.9170	0.9750	0.9418	0.7959	1.0344	1.4607	1.0098	1.8348	1.1461	1.0021	1.1215	0.7644	0.9235	0.9781	1.0873	1.5941	0.7889	1.1624	0.9894	0.8412
NAPROXEN (M-H)-	1.8887	0.5536	0.9881	1.9597	0.4806	0.3983	1.4521	NA	NA	NA	1.5869	NA	0.7206	1.0330	0.4184	0.3945	1.5125	NA	NA	0.5728
NERVONIC ACID (M-H)-	1.1924	1.6914	0.7197	0.8015	0.8752	1.1403	1.4369	2.4929	1.2450	0.7835	0.9994	1.5180	0.7296	0.9851	0.9358	0.9053	0.9113	2.3965	1.1883	1.1899
N-ETHYLMALEIMIDE (M-H)-	1.0067	1.0145	1.0618	0.6850	1.1133	0.3696	0.9325	0.9284	1.1729	0.5609	0.9520	0.9981	0.9666	1.5915	0.9478	0.3807	0.7421	0.9079	1.1847	0.7033
OLEIC ACID (M-H)-	1.6767	1.5723	0.5991	0.8083	0.9735	0.6477	1.3787	1.6805	1.5407	1.3014	1.0980	1.4796	0.5498	0.8132	0.7395	0.4371	0.8486	1.5762	1.4099	1.1747
OMEGA-HYDROXYDODECANOIC ACID (M-H)-	0.8287	3.4177	0.8012	0.9697	0.6808	NA	0.9109	NA	1.0537	0.5794	1.2381	1.5075	0.8063	0.7540	0.8527	NA	0.7598	NA	NA	3.2542
OMEPRAZOLE (M-H)-	0.5864	0.7323	0.6276	NA	1.0809	1.5507	0.8385	1.8954	1.7778	0.6534	0.5125	0.8526	1.0084	0.6961	1.2550	1.2955	0.4008	2.1051	1.2864	0.7404
ORNITHINE (M-H)-	1.1553	1.0724	1.0283	1.0840	1.1544	0.5837	0.9839	0.9138	0.8191	1.2353	0.9961	1.0226	0.9784	0.9167	1.0845	0.6132	0.9246	0.8556	0.8516	1.0234
OXALIC ACID (M-H)-	1.0094	0.8931	1.0177	0.9360	0.9472	1.3030	0.9014	0.8479	1.0893	1.1073	1.1034	0.9955	0.9760	1.2081	0.9899	1.3284	0.8877	0.5060	0.9099	1.0090
OXALOACETIC ACID (M-H)-[-H2O]	0.9960	1.1564	1.0260	0.9153	0.9456	0.9531	0.9276	1.2280	1.0425	0.9811	0.9754	1.0649	0.9945	1.1703	1.0337	0.4719	1.0738	1.2521	0.9261	1.1165
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (2M-H)-	1.4832	0.7542	0.4104	0.0422	0.7111	0.2553	7.1087	NA	0.0095	NA	1.4391	0.4051	0.0149	NA	1.7816	0.2418	NA	NA	0.0138	NA
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M-H)-	1.5278	1.8139	0.5649	0.1729	0.8805	0.6087	1.2415	NA	0.3104	NA	2.1616	1.1906	0.1314	0.0039	1.7556	0.6196	0.0265	NA	0.5419	NA
PALMITIC ACID (M-H)-	1.8221	1.7709	0.5889	0.7069	1.0751	0.5341	1.2813	1.4033	1.4368	1.4030	1.0729	1.4124	0.5469	0.8570	0.7336	0.3500	0.7336	1.4164	1.4534	1.0897
PALMITOLEIC ACID (M-H)-	1.5947	1.4345	0.7906	0.8840	0.9747	0.5132	1.0332	1.6702	1.4211	0.9683	1.0132	0.7912	0.7183	1.1159	0.8475	0.4113	0.6354	1.5548	1.3002	1.1616
PANTOTHENIC ACID (M+CL)-	1.9508	1.0880	0.5032	0.2805	1.1395	1.5799	0.6410	NA	1.7456	NA	1.1302	0.9450	0.5541	0.1256	1.6657	1.1552	1.0680	NA	1.0377	NA
PANTOTHENIC ACID (M-H)-	0.9426	1.4643	0.7390	0.4653	1.1927	0.7962	1.0980	0.3596	0.9017	0.7155	1.1388	1.2297	0.9310	0.7407	1.1462	1.0209	1.1948	0.4018	1.0875	2.3066
PHENYLALANINE (M-H)-	1.0426	0.9186	1.0366	0.9574	1.1095	1.1167	0.9422	0.9125	0.9203	1.1779	0.9683	1.0516	0.9590	0.8912	1.0936	1.1605	0.9304	0.9149	0.8869	0.9542
PHTHALIC ACID (M-H)-	0.7478	0.3775	1.0388	NA	1.1802	NA	0.5615	1.2960	0.8444	NA	0.5750	0.2529	1.0422	NA	1.4604	NA	0.3814	NA	1.6549	1.1449
PHYTANIC ACID (M-H)-	1.4123	1.8584	0.8731	0.6246	1.1113	0.7341	0.9049	1.7660	1.2683	0.9884	0.9185	1.2539	0.7653	0.8262	0.8269	0.6319	0.8039	1.6404	1.2107	1.2508
PIMELIC ACID (M-H)-	0.7463	0.9322	0.7685	0.6643	0.8725	0.2759	2.0588	0.7932	1.3181	NA	0.7632	0.7848	1.2423	NA	1.1489	1.1194	2.0472	NA	0.7903	NA
QUINIC ACID (M-H)-	4.7753	0.3796	0.7073	NA	0.9085	NA	0.8083	NA	0.8388	NA	1.9588	0.4384	0.8600	0.3774	0.4765	NA	0.7138	NA	0.8363	NA
RAFFINOSE (M+CL)-	1.0293	0.6692	0.9493	0.8479	1.0138	1.4542	1.2147	0.6729	1.0280	0.8907	1.2215	1.1563	0.9075	0.9369	1.0020	1.0100	0.9723	1.0114	0.9231	0.9589
S-ADENOSYL-L-HOMOCYSTEINE (M-H)-	0.8053	0.7153	1.4873	1.1522	1.0980	0.9027	0.8365	NA	0.8191	1.5599	0.6660	0.8591	1.2227	0.7425	0.7971	0.8214	0.4983	NA	0.7989	1.1145
SALICYLATE #2 (M-H)-	0.6899	0.0456	2.3793	1.2689	0.3123	0.0444	0.1269	1.9735	0.2262	0.4223	0.9384	0.0557	0.8305	0.7820	2.5762	0.0485	0.1510	1.7744	0.2530	0.3834
SALICYLIC ACID (M-H)-	1.2833	0.6963	0.4344	NA	0.3997	0.7164	NA	NA	1.4940	NA	1.3805	NA	1.1340	0.7352	0.8896	1.8594	0.9617	NA	1.3193	NA
SALICYLURIC ACID (M-H)-	0.5770	0.0152	2.3836	1.2413	0.1509	0.0155	0.0733	1.8502	0.2144	0.3444	1.1523	0.0200	0.7485	0.6452	2.3881	0.0220	0.0728	1.7342	0.2614	0.5348
SEBACIC ACID (M-H)-	1.0533	0.6558	0.6719	0.6452	1.0907	0.5500	2.4709	2.3329	1.1019	0.6090	0.9180	0.8338	0.6044	0.9488	1.0649	0.6259	1.9277	2.3637	1.0857	0.9873
STEARIC ACID (M-H)-	1.4786	3.0497	0.7377	0.7974	0.9197	0.5464	1.7950	1.1178	1.4723	0.9092	0.8721	1.9968	0.6078	0.6945	0.6235	0.5038	0.7835	1.4027	1.3806	1.0072
SUBERIC ACID (M-H)-	0.9411	1.1025	0.7539	0.7513	1.0850	1.0940	1.1498	0.4534	1.0974	0.6948	0.9506	1.6380	0.8896	0.9313	1.1717	0.7474	1.2047	0.4965	1.2990	1.1736
SUCCINIC ACID (M-H)-	0.6929	1.2522	0.7566	0.7683	0.9789	0.9340	0.5944	0.5276	0.7571	0.6200	1.1117	0.8949	1.2017	0.8270	1.3805	1.2015	1.5533	0.6596	1.2517	0.8633
SUCROSE (M+CL)-	1.3275	0.5393	0.7735	0.6124	0.7567	1.1408	2.8373	1.2869	1.1452	NA	1.1146	0.2405	0.7295	0.8985	0.7213	0.9463	1.0230	1.8267	1.1342	NA
TARTARIC ACID (M-H)-	NA	NA	0.0003	NA	NA	NA	2.3212	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.3571	NA	NA	NA
THEOPHYLLINE (M-H)-	0.9632	1.1402	1.0270	0.5230	1.3423	0.7984	0.8220	0.0319	1.0836	0.6979	0.8705	0.6457	0.9810	1.7184	1.0842	0.8127	0.7369	0.0352	0.9933	1.0850
THYMIDINE (M+CL)-	0.8314	1.2715	0.7997	0.8500	0.9064	0.8012	1.3114	NA	0.8775	0.9212	1.1624	1.1303	0.9217	1.1057	1.2119	0.9873	1.0955	NA	1.2267	0.8200
THYROXINE (M-H)-	1.0938	0.9573	0.9616	0.9127	1.0259	0.7756	1.0066	0.9952	0.9808	0.8533	1.0783	1.1453	0.9635	0.9428	1.0053	0.7888	0.9906	1.0687	1.0700	0.8565
TRANS-ACONITIC ACID (M-H)-	0.9601	0.9923	1.0065	0.7435	1.1434	0.5958	0.9865	0.7628	0.9837	1.2145	0.9936	0.9237	0.9538	0.9347	1.0585	0.9725	1.0688	0.9692	0.9401	1.2723
TRICARBALLYLIC ACID (M-H)-[-H2O]	0.5723	1.4682	0.8662	0.2962	0.7044	NA	0.7618	0.1963	0.7614	0.1929	0.7055	0.6044	1.3925	0.8035	1.8131	0.6307	0.9565	0.4066	1.2515	0.8012
TRICOSANOIC ACID (M-H)-	1.1128	1.9976	0.7966	0.5610	1.1118	1.6477	0.8743	0.7277	0.8970	NA	0.9861	1.5457	0.7374	NA	1.0811	0.9351	1.0441	0.8531	1.1007	NA
TRIDECANOIC ACID (M-H)-	0.9891	0.8185	1.0254	1.3570	1.1357	1.2345	0.7444	1.2968	0.9109	0.7374	0.8232	0.7756	1.1137	1.6657	1.0146	1.0006	1.1306	1.3023	0.8937	0.6748
TRYPTOPHAN (2M-H)-	0.7850	0.8983	1.2625	1.1160	1.1331	1.2581	0.6499	0.5337	0.8487	1.5597	0.7123	1.0848	1.1507	0.9316	1.1298	1.2235	0.7099	0.6043	0.8421	0.6448
TRYPTOPHAN (M-H)-	0.8384	0.9451	1.1943	1.0679	1.1092	1.1767	0.7592	0.7110	0.8778	1.3469	0.7931	1.0847	1.1085	0.9614	1.0881	1.1683	0.7880	0.7343	0.8775	0.7663
TYROSINE (M-H)-	0.8243	0.8706	1.3248	1.0688	1.0946	1.0683	0.8601	0.9459	0.8180	1.4014	0.7443	0.9736	1.2152	0.9661	0.9250	1.0302	0.6821	0.8270	0.7710	0.7392
URIC ACID (M-H)-	0.8414	0.5783	0.7932	0.5387	0.7888	0.7857	0.8656	0.5998	0.7826	0.5178	1.2842	0.8114	1.3759	1.5623	1.2222	0.7644	1.1208	1.1456	1.0037	0.9094
URIDINE (M+CL)-	1.0402	1.0971	1.0277	1.1497	0.9746	1.1388	0.7810	0.7403	1.0208	0.9790	0.9622	1.2582	0.9916	0.9941	1.0355	1.1864	0.8801	0.7593	0.9914	1.1806
URIDINE (M-H)-	1.3335	1.8984	0.6037	1.7669	1.5888	0.2767	0.6144	NA	0.7694	1.0812	1.1161	0.7382	0.5936	1.0516	1.0813	0.3442	1.7827	NA	0.6307	1.6230
VALINE (M-H)-	1.1348	1.0642	0.8682	1.5322	1.0734	0.8160	1.1713	0.4689	1.1692	2.1019	0.8957	0.8419	0.9845	1.4400	0.8239	0.8330	1.2066	1.4778	0.7995	0.3331
XANTHINE (M-H)-	0.9833	2.2034	0.9169	0.8407	1.0205	0.7464	1.0114	0.6087	0.8603	0.7983	1.1506	0.8199	0.9157	0.8363	1.2188	0.7657	1.1178	0.7728	1.0102	1.3092
ZEATIN [ISTD] (M+CL)-	1.0318	0.8880	1.0302	1.0261	0.9677	1.0625	1.0347	0.9691	0.9996	1.0022	1.0205	1.0176	0.9939	0.9833	0.9829	1.0354	0.9813	0.9701	0.9660	0.9102
ZEATIN [ISTD] (M-H)-	1.0318	0.9242	1.0037	1.0403	0.9670	1.1729	0.9139	0.8490	1.0099	0.9770	1.0225	1.0643	1.0327	0.9796	0.9464	1.1264	1.0457	0.9587	0.9860	0.8584

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