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

(Analysis AN001204)

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
CE(16:0); [M+NH4]+@10.91	1.0401	0.8642	0.9767	0.8537	1.0044	0.9886	1.1105	0.7552	0.9610	1.0573	1.1260	0.8170	1.0056	1.1272	1.0368	0.7678	0.8374	0.9442	1.0028	0.8368
CE(16:1); [M+NH4]+@10.62	0.9725	0.6128	1.0806	0.6953	1.0840	0.8505	0.6971	0.7488	0.7697	1.4346	1.0297	0.5272	1.1819	1.0110	1.1924	0.8159	0.6902	1.0887	0.7406	1.7898
CE(17:0); [M+NH4]+@11.10	0.9967	1.0390	0.9916	1.0509	0.9491	1.0707	1.0659	1.0269	1.0405	1.0207	1.0004	1.0511	0.9931	1.2018	0.9697	1.1108	0.8708	0.9402	1.0359	0.9500
CE(17:1); [M+NH4]+@10.81	1.0776	0.6665	1.0598	0.9142	0.9859	0.9452	1.0287	0.4158	0.8976	0.9043	1.1946	0.8034	1.0517	1.0597	0.9149	0.8749	0.7776	0.7383	1.0438	0.8068
CE(18:1); [M+NH4]+@10.86	1.0212	0.9426	1.0369	0.9014	1.0020	0.8485	0.9844	0.6799	0.9949	0.9485	1.0554	0.7176	1.0612	1.0986	0.9717	0.9734	0.8476	0.7257	1.0123	0.8174
CE(18:2); [M+NH4]+@10.72	1.0077	0.8444	1.0178	0.9291	0.9734	0.9313	1.0099	0.6894	0.9936	0.8891	1.0190	0.8985	1.0652	1.1058	0.9916	0.9083	0.8576	0.8885	1.0386	0.9695
CE(18:3); [M+NH4]+@10.44	1.0223	0.7540	1.1612	0.7860	0.9074	0.8079	0.8546	0.4371	0.9217	0.8624	1.0035	0.6947	1.2204	1.0230	1.0035	0.8633	0.6371	0.4721	0.9801	0.8351
CE(18:3); [M+NH4]+@9.24	1.0935	0.9240	0.9928	1.1926	0.8437	0.7464	1.2805	0.1696	0.8617	1.0398	0.9412	1.1208	1.0644	1.8598	0.8305	0.6676	0.9863	0.9878	1.1582	0.7114
CE(20:1); [M+NH4]+@11.21	1.1246	1.1427	1.0103	0.9140	0.8715	1.1311	0.9888	0.5515	0.9898	1.3318	1.1724	0.9069	1.0404	0.8902	0.9846	0.6862	0.7716	0.3453	0.9923	0.8037
CE(20:2); [M+NH4]+@11.01	1.2160	1.0407	0.9803	0.7647	0.8479	0.7369	1.0034	0.5877	0.9713	0.9352	1.0809	0.9452	1.0919	1.4059	0.9030	0.9846	0.8889	0.7660	1.0118	0.7644
CE(20:3); [M+NH4]+@10.71	1.1354	0.8832	1.0139	0.7868	0.8947	0.7761	1.0347	0.6358	0.9748	0.8076	1.1216	0.8315	1.0791	1.0911	0.9477	0.7420	0.8582	0.8625	1.0633	0.7624
CE(20:4); [M+NH4]+@10.54	1.0880	0.9609	1.0072	0.8258	0.9234	0.6512	1.1047	0.6478	1.0245	0.7297	1.0628	0.9320	1.0686	1.1026	0.9664	0.6267	0.8349	0.7466	1.1052	0.6673
CE(20:5); [M+NH4]+@10.32	0.9126	0.5213	1.2560	0.9053	0.9108	0.5292	0.6934	0.5948	1.1255	0.6433	0.8675	0.4399	1.2914	1.0587	0.9262	0.5221	0.5340	0.6721	1.1316	0.6538
CE(20:5); [M+NH4]+@9.15	1.1401	0.7935	1.0220	0.9044	0.8777	0.7140	1.0235	0.6492	1.0409	0.9052	1.0948	1.0482	1.0143	1.1314	0.9537	0.9591	0.9408	0.6879	0.9649	1.0101
CE(22:4); [M+NH4]+@10.82	1.0934	0.9079	1.0035	0.8620	0.8420	0.7915	1.1466	0.7909	1.0356	0.9321	1.1496	0.8329	1.0057	1.1715	0.8867	0.5449	0.7716	0.6984	1.1995	1.1914
CE(22:5); [M+NH4]+@10.64	1.1078	0.7627	1.0344	0.8673	0.9262	0.7109	1.0482	0.6390	1.0778	0.6359	1.0504	0.8289	1.0581	1.0608	0.9996	0.6846	0.7566	0.8839	1.0796	0.7045
CE(22:6); [M+NH4]+@10.42	1.0643	0.7364	1.0242	0.8470	0.9562	0.6417	1.1251	0.7077	1.0866	0.5545	1.0557	0.7315	1.0435	1.0393	0.9945	0.5935	0.8289	0.9767	1.1352	0.5795
DG 30:0; [M+NH4]+@7.33	0.7747	1.0344	1.0745	0.7212	1.1994	1.0653	0.6169	0.5487	0.8545	0.8269	0.7289	0.9159	1.2042	0.8849	1.6075	0.7963	0.6612	0.5196	0.7873	0.7382
DG 30:1; [M+NH4]+@6.85	0.7453	0.9029	1.1936	0.7640	1.2368	0.6389	0.6776	0.5670	0.7280	0.7108	0.6738	0.9363	1.1848	0.7291	1.7218	0.5809	0.6567	0.3242	0.7592	0.6906
DG 32:0; [M+NH4]+@7.88	0.8246	1.3725	1.0070	0.5472	1.4313	0.9911	0.8660	0.4517	0.7626	0.7779	0.8333	1.1250	0.9757	0.7371	1.6036	1.2224	0.6715	0.5408	0.8085	0.9062
DG 32:1; [M+NH4]+@7.44	0.7968	0.9506	1.0399	0.7218	1.3578	0.7977	0.7506	0.5045	0.8318	0.8618	0.8088	1.0669	1.0767	0.8558	1.5507	0.9535	0.7066	0.6430	0.7648	0.9186
DG 32:2; [M+NH4]+@7.00	0.7888	0.8067	1.1528	0.7240	1.4347	1.0315	0.7142	0.5109	0.7028	0.6928	0.7270	0.8311	1.1422	1.0146	1.5392	0.9041	0.5855	0.3779	0.7099	0.8347
DG 34:0; [M+NH4]+@8.37	0.7834	1.5551	1.0363	0.5840	1.2943	0.9723	0.8371	0.6013	0.8163	0.7033	0.7942	1.3151	1.0436	0.8549	1.5489	1.3206	0.6573	0.6563	0.8151	0.7426
DG 34:2; [M+NH4]+@7.52	0.9622	1.0753	0.9027	0.5973	1.1964	0.8314	1.0174	0.7134	0.9776	0.9436	0.9588	1.0780	0.9165	0.9698	1.3156	0.9967	0.9173	0.7565	1.0164	1.0613
DG 34:3; [M+NH4]+@7.15	0.9958	1.1899	0.9317	0.7372	1.2090	0.6859	0.8838	0.5204	0.9709	0.9420	0.9814	1.1082	0.9726	1.0602	1.2538	0.9312	0.7942	0.5783	0.9559	1.0412
DG 34:4; [M+NH4]+@6.74	0.9433	1.2722	0.9989	0.6664	1.2850	0.6314	0.6298	0.7693	0.7526	0.9429	0.8716	1.1059	1.1357	0.9506	1.3480	0.8922	0.6915	0.3581	0.9833	0.7285
DG 35:1; [M+NH4]+@8.13	0.9242	0.9069	1.0469	0.5082	1.2650	0.9600	0.8419	0.5203	0.8182	0.7808	0.8411	0.9038	1.0712	0.7879	1.4787	1.1260	0.7897	0.6038	0.8159	0.7895
DG 35:2; [M+NH4]+@7.79	1.0498	0.7814	0.8650	0.5464	1.3719	0.7184	0.8841	0.4181	0.9247	1.0654	0.8801	0.8434	0.9631	0.7799	1.4761	1.0301	0.7431	0.8982	0.9736	0.9378
DG 35:3; [M+NH4]+@7.43	1.0280	1.0507	0.9119	0.8340	1.1773	0.4719	0.6558	0.7229	1.0094	0.9408	1.1251	1.2471	0.9601	0.7489	1.3261	0.6033	0.8781	0.9830	0.9481	0.7705
DG 36:0; [M+NH4]+@8.84	0.8766	1.0228	1.0628	0.6235	1.1002	1.1755	0.9168	0.3949	0.8521	1.2770	0.8851	1.0750	1.0926	0.8725	1.2559	1.1964	0.8897	0.4857	0.8513	0.9320
DG 36:1; [M+NH4]+@8.43	0.7945	1.0586	1.0714	0.5641	1.2472	1.1584	0.8527	0.3214	0.8298	0.6967	0.7985	0.9910	1.1174	0.8507	1.4650	1.3050	0.7457	0.4682	0.8110	0.8615
DG 36:2; [M+NH4]+@7.96	0.9573	1.0838	0.8987	0.6904	1.1941	1.0329	1.0353	0.5254	0.9997	0.9954	0.9561	1.0200	0.9145	0.9584	1.2894	1.0673	0.9121	0.6380	0.9705	1.2406
DG 36:3; [M+NH4]+@7.62	0.9410	1.4921	0.8718	0.8728	1.1009	0.8502	1.1024	0.8704	1.0266	1.0785	0.9780	1.4765	0.8709	1.1203	1.1589	0.8552	0.9164	0.9253	1.0880	1.1639
DG 36:4; [M+NH4]+@7.30	1.0443	1.2796	0.8701	0.8654	1.0492	0.6268	1.1216	0.6745	1.0143	1.1649	0.9794	1.3423	0.8794	1.1036	1.1440	0.7786	1.0496	0.7665	1.0864	1.1351
DG 36:5; [M+NH4]+@6.92	0.9509	1.1804	0.9508	0.8563	1.1764	0.7022	0.8475	0.5791	1.0415	1.1482	0.9028	1.0460	1.0307	1.1297	1.1885	0.7023	0.7245	0.6928	1.0139	0.9115
DG 38:1; [M+NH4]+@8.65	0.8596	0.9922	1.0933	0.5358	1.2323	1.0005	0.6657	0.6184	0.7923	0.6907	0.9323	0.5664	1.2576	0.9408	1.2665	1.0482	0.5528	0.4552	0.8966	0.8270
DG 38:2; [M+NH4]+@8.50	0.8990	0.9111	0.9380	0.8705	1.1416	1.0039	1.0579	0.4364	0.7875	0.9238	0.9338	1.1175	1.1418	1.0924	1.2376	1.0675	0.7060	0.5828	0.9659	1.0554
DG 38:3; [M+NH4]+@8.15	0.9624	1.2418	0.9734	0.6363	1.1203	0.9266	0.9007	0.5605	0.8715	1.1171	0.9792	1.0712	1.0202	1.1046	1.1751	1.0062	0.8249	0.8937	0.9818	1.2364
DG 38:4; [M+NH4]+@7.86	0.8618	1.1249	0.9290	0.7640	1.2102	0.9013	0.9771	0.5472	0.9542	0.8789	0.9675	1.1910	0.9596	1.3149	1.3187	0.7160	0.7510	0.5952	0.9976	1.0505
DG 38:5; [M+NH4]+@7.53	0.9827	1.2219	0.8951	0.7134	1.2239	0.8360	0.8909	0.7006	0.9406	0.8196	0.9480	1.3080	1.0058	1.0310	1.2770	0.8202	0.7032	0.6871	1.0375	0.9579
DG 38:6; [M+NH4]+@7.24	0.9210	1.3926	0.9197	0.6006	1.1567	0.6079	0.8670	0.7684	1.0195	0.9690	0.9922	1.1013	1.0394	0.9975	1.1969	0.6847	0.7988	0.4987	1.1094	0.7474
DG 40:5; [M+NH4]+@8.01	0.9830	1.1992	0.8878	0.6691	1.1927	0.6665	0.9827	0.6212	0.8990	0.8200	1.0123	1.2610	0.9577	1.1425	1.3370	1.1236	0.8167	0.6098	0.9210	1.1332
DG 40:6; [M+NH4]+@7.63	0.9193	1.4205	0.8773	0.8135	1.1808	0.8158	0.9936	0.5557	0.9910	0.7410	0.9447	1.2543	0.9717	1.0738	1.2001	0.7221	0.9547	1.4808	1.0311	1.0185
DG 40:7; [M+NH4]+@7.50	0.9725	1.0325	0.9249	0.9799	1.0670	0.4967	0.8670	0.5135	1.1324	0.7168	0.9960	1.0597	0.9824	1.0498	1.2524	0.5682	0.8322	0.4985	1.0563	1.0539
lysoPC 14:0; [M+H]+@1.04	0.9162	0.8190	1.1242	0.7495	1.1796	0.7116	0.7182	0.5699	0.7872	1.0027	0.9586	0.9014	1.1653	1.1062	1.2079	0.9467	0.6729	0.7379	0.8292	0.7988
lysoPC 15:0; [M+H]+@1.23	0.9933	0.8691	1.0958	0.8000	1.0326	0.5876	0.7303	0.4831	0.8060	1.0583	1.0720	0.9019	1.1552	1.1802	1.1467	0.8675	0.6585	0.7669	0.8946	0.9211
lysoPC 16:0; [M+H]+@1.53	0.9163	0.8287	1.0773	1.0275	1.0412	0.7492	0.7967	0.4301	0.7732	0.7997	1.0286	0.8359	1.1595	1.4060	1.1668	0.9580	0.7501	0.6597	0.9284	0.7978
lysoPC 16:1; [M+H]+@1.20	0.9690	0.7941	1.1031	0.8832	1.0979	0.7523	0.7025	0.4599	0.7712	1.0591	1.0447	0.6705	1.1729	1.1045	1.1999	0.9140	0.6142	0.8256	0.8426	0.9841
lysoPC 17:0; [M+H]+@1.95	1.0774	1.0817	0.9883	0.8934	0.9795	0.8565	0.9756	0.9253	0.9439	1.0483	1.0947	1.0025	1.0208	1.0525	0.9783	1.0570	0.8351	0.9421	1.0160	0.9966
lysoPC 17:1; [M+H]+@1.41	0.9713	0.7152	1.1001	0.9658	1.0154	1.0001	0.8263	0.3520	0.7934	0.8222	1.0743	0.9893	1.1253	1.2515	1.1497	0.9795	0.5984	0.8494	0.9272	0.8707
lysoPC 18:0; [M+H]+@1.70	0.9162	1.0749	1.0715	1.0164	1.0890	0.7288	0.8831	0.7667	0.8411	0.8337	0.9829	0.8469	1.0971	1.1429	1.1169	1.1421	0.7315	0.5327	0.9685	0.9452
lysoPC 18:0; [M+H]+@2.33	0.9245	0.9390	1.0541	1.0627	1.0042	0.6924	0.8684	0.3737	0.7920	0.7780	0.9742	0.9001	1.1765	1.3746	1.1532	0.8402	0.8137	0.5228	0.9711	0.7777
lysoPC 18:1; [M+H]+@1.76	0.9322	1.0275	1.0699	1.0434	1.0592	0.9330	0.7819	0.4480	0.8245	0.9190	0.9950	0.8887	1.1263	1.3343	1.1186	1.0863	0.7136	0.7021	0.9257	0.9039
lysoPC 18:2; [M+H]+@1.34	0.8734	1.1756	1.1320	1.1624	1.1723	0.9602	0.7456	0.4224	0.7111	0.8109	0.9026	1.0442	1.1487	1.4969	1.1971	1.1224	0.6314	0.6689	0.7755	0.7599
lysoPC 18:3; [M+H]+@1.06	0.9943	0.8337	1.1708	0.7689	1.1321	0.7873	0.6175	0.4515	0.8171	0.7182	0.9579	0.7862	1.2108	0.9904	1.1691	0.9194	0.5563	0.7021	0.8896	0.6080
lysoPC 19:0; [M+H]+@2.78	0.9657	0.9252	1.0238	0.9297	1.0246	0.8677	0.9240	0.6219	0.8688	1.0045	1.0200	0.8579	1.1468	1.1852	1.0624	0.9918	0.7608	0.8146	0.9503	0.9077
lysoPC 20:0; [M+H]+@3.21	0.9371	0.8108	1.0750	0.9870	0.9967	0.7776	0.8639	0.5869	0.8203	0.8162	0.9741	0.7604	1.1983	1.4268	1.0565	0.8974	0.8232	0.7803	0.9584	0.8255
lysoPC 20:1; [M+H]+@2.50	1.0301	0.8998	0.9381	1.1417	1.0222	0.9015	1.0525	0.4915	0.9499	0.8844	1.0215	0.8686	1.0410	1.4536	1.0138	0.9755	0.8976	0.7564	1.0212	0.8940
lysoPC 20:2; [M+H]+@1.91	1.0101	1.0588	0.9733	1.0253	1.0709	0.9275	0.9771	0.7245	0.8876	0.7478	1.0766	0.9663	1.0424	1.2665	1.0724	1.3071	0.8025	0.6052	0.9558	0.7764
lysoPC 20:3; [M+H]+@1.57	1.0503	1.1941	0.9835	0.9652	1.0108	1.0178	0.8418	0.4580	0.8652	0.8213	1.1284	1.1530	1.0231	1.3139	1.1222	1.0989	0.7385	0.7588	0.9607	0.8306
lysoPC 20:4; [M+H]+@1.35	1.0471	1.4580	0.9542	1.0497	1.0775	1.1072	0.8512	0.3736	0.8148	0.9368	1.1154	1.4184	0.9886	1.3081	1.1361	1.2557	0.7365	0.6040	0.8789	0.9310
lysoPC 20:5; [M+H]+@1.00	0.9011	1.2713	1.0753	1.2496	1.0977	1.1667	0.7757	0.2601	0.8270	0.7863	0.9313	0.9582	1.1084	1.4166	1.1432	0.9852	0.7606	0.7837	0.8392	0.8668
lysoPC 22:0; [M+H]+@4.19	0.9217	0.9137	1.1119	1.2325	0.9632	0.8611	0.8785	0.3277	0.7817	0.7198	0.9936	0.6013	1.1461	1.7229	1.1367	0.9544	0.7869	0.3760	0.9175	0.7039
lysoPC 22:1; [M+H]+@3.37	0.9059	0.6513	1.0632	1.0445	1.0151	0.4781	1.0265	0.4778	0.9087	1.1165	0.8539	0.7467	1.1591	1.6201	1.1249	0.7171	0.8345	0.8455	0.9845	0.4355
lysoPC 22:4; [M+H]+@1.75	1.0965	1.2985	0.8877	1.0219	1.0580	1.1369	0.9639	0.4321	0.7724	0.9421	1.1656	1.1841	0.9830	1.2929	1.0957	1.5596	0.8098	0.4926	0.9296	1.1948
lysoPC 22:5; [M+H]+@1.41	1.0522	1.3050	0.9386	1.0249	1.0184	1.0639	0.8396	0.4342	0.8155	0.9632	1.1212	1.1020	1.0590	1.2523	1.1729	1.1422	0.6560	0.6678	0.9306	1.0385
lysoPC 22:6; [M+H]+@1.23	1.0511	1.0803	0.9266	1.0023	1.0495	0.9251	0.8679	0.4648	0.9432	0.7522	1.1192	1.1667	0.9837	1.3820	1.1095	0.9781	0.7766	0.7841	1.0665	0.7646
lysoPC 24:0; [M+H]+@5.07	0.8505	0.7474	1.0764	0.9953	0.9758	0.7460	0.9485	0.3786	0.8404	0.9229	0.9661	0.6367	1.1957	1.5479	1.1041	0.7394	0.8558	0.5153	0.9881	0.8049
lysoPC 24:1; [M+H]+@4.23	0.8342	0.7709	1.1310	1.0185	0.9968	0.6039	0.8037	0.8341	0.8079	0.8116	0.8879	0.5349	1.2616	1.1671	1.1234	0.8811	0.7570	1.1471	1.0158	0.8593
lysoPC 26:1; [M+H]+@5.06	1.1215	0.7064	1.0340	0.7211	1.1963	0.8753	0.9048	0.6035	0.8219	0.8218	0.8922	0.5353	1.1262	0.9577	1.1622	0.8472	0.8065	0.7523	0.9615	0.5973
MG 17:0; [M+Li]+@3.14	1.0655	1.0935	0.9786	0.9885	0.9921	0.9100	1.0534	1.1148	1.0370	1.0641	0.9943	0.9179	0.9964	1.1484	0.9720	0.8785	0.8287	0.8892	1.0200	1.0814
MG 20:1; [M+NH4]+@3.06	1.0589	0.9653	1.0192	0.8187	1.0103	0.8819	0.9944	0.8331	0.9695	0.9330	0.9901	0.9610	1.0235	1.0929	1.0079	0.9075	0.9384	1.0017	0.9892	0.9972
PC 19:1; [M+H]+@1.74	1.0491	0.7937	0.9813	0.5211	1.0164	0.9192	0.9431	0.8346	0.9974	0.8627	0.9504	0.9762	1.1197	0.8776	1.0115	0.7145	0.9639	0.6695	1.1620	0.7690
PC 19:2; [M+H]+@1.40	1.0282	1.1237	0.9548	1.0717	0.9884	1.0194	0.9712	0.5649	0.9496	0.9876	1.1066	0.9351	1.0074	1.4683	1.0723	1.1730	0.8589	0.6777	0.9068	0.8204
PC 24:0; [M+H]+@3.65	0.7441	1.0514	0.9798	0.4731	1.3029	0.6425	0.8029	0.9219	1.1549	0.7053	0.8020	0.6513	1.0003	0.9622	1.3393	0.7284	0.7217	0.7342	1.3181	0.4977
PC 26:0; [M+H]+@4.43	0.5917	0.4006	1.3219	0.3868	1.4229	0.6684	0.6038	0.5845	0.9820	0.4180	0.5594	0.3480	1.3262	0.5400	1.4867	0.7753	0.4186	0.4136	0.9188	0.3106
PC 30:3; [M+H]+@5.20	0.8638	0.6678	1.1863	0.5310	1.3894	0.6442	0.7234	0.5133	0.7692	0.6481	0.7087	0.6529	1.2228	1.2428	1.4494	1.0629	0.4245	0.4169	0.6559	0.9417
PC 31:0; [M+Na]+@5.55	0.9855	0.5998	1.1730	0.5061	1.0288	0.5422	0.8885	0.5509	0.8570	0.6728	1.0469	0.6068	1.1313	0.8727	1.2899	0.8624	0.6747	0.7675	0.8802	0.6268
PC 32:0; [M+H]+@6.50	1.0171	0.7419	0.9984	0.7181	1.0166	0.7906	1.0944	0.6951	0.9098	1.0113	1.0393	0.6057	1.0842	1.0286	1.1258	0.9193	0.8707	0.8285	0.9580	0.9604
PC 32:1; [M+H]+@5.96	0.9436	0.5461	1.1252	0.6399	1.1025	0.8972	0.8315	0.6201	0.7594	1.4494	0.9386	0.4608	1.2174	0.8738	1.2110	0.9099	0.6550	0.8515	0.7818	1.3388
PC 32:3; [M+H]+@5.19	0.8111	0.4859	1.1872	0.5201	1.2405	0.6205	0.6892	0.5194	0.7202	0.4784	0.8437	0.5161	1.3772	0.8802	1.3925	0.8759	0.5167	0.6616	0.7913	0.5819
PC 32:4; [M+H]+@5.39	0.9102	0.5674	1.2588	0.7567	1.1327	0.9347	0.7737	0.3159	0.7563	0.6325	0.7485	0.6249	1.2580	1.2320	1.2823	0.8531	0.5912	0.6521	0.7548	0.7857
PC 33:3; [M+H]+@5.49	1.0683	0.6792	1.1558	0.5431	1.1144	0.6476	0.8358	0.7038	0.8511	0.6175	1.0317	0.4814	1.1494	0.9178	1.2137	0.9508	0.6246	1.1568	0.7787	0.6791
PC 34:1; [M+H]+@6.59	1.0392	0.7157	1.0421	0.7638	1.0076	0.8742	0.9921	0.6309	0.9107	1.0227	1.0246	0.6114	1.1036	1.1298	1.0886	0.9498	0.7885	0.7516	0.9350	0.9790
PC 34:5; [M+H]+@5.09	0.9159	0.4606	1.2150	0.4775	1.1857	0.4551	0.5632	0.4601	0.7900	0.4665	0.8987	0.6646	1.3916	0.8763	1.2896	0.6973	0.4921	0.5176	0.8115	0.4137
PC 34:6; [M+H]+@5.11	0.9912	0.5539	1.2494	0.6867	1.2034	0.8031	0.7744	0.2821	0.6869	0.6613	0.8253	0.4494	1.2070	1.0502	1.1960	0.9938	0.5657	0.7431	0.8580	1.0293
PC 35:0; [M+H]+@7.34	0.8497	0.8038	1.2112	0.7601	1.0153	0.8986	0.9437	0.4645	0.8794	1.0054	0.8506	1.0884	1.2366	1.0443	1.0366	0.6077	0.7937	0.6186	0.8142	0.9237
PC 35:3; [M+H]+@6.31	1.0508	0.8409	1.0775	0.6147	0.9777	0.6935	0.9692	0.2872	0.9042	0.7907	1.0216	0.6941	1.0947	1.2400	1.1997	0.6918	0.9280	0.1249	0.8433	0.9314
PC 35:4; [M+H]+@6.77	1.0297	0.6229	0.9894	0.6528	1.0766	0.8225	1.2047	0.4586	0.7949	0.7043	1.0170	0.5517	1.1045	0.8615	1.2727	0.9701	1.0172	0.4377	0.8686	0.7852
PC 35:5; [M+H]+@5.51	0.9767	0.5299	1.2565	0.6131	1.0236	0.6001	0.7885	0.4671	0.8707	0.5247	1.0375	0.4609	1.2171	1.0065	1.1613	0.7134	0.5686	0.6066	0.8638	0.5733
PC 36:0; [M+H]+@7.70	0.9975	0.8897	1.0326	0.8715	0.9850	1.0952	0.9234	0.7664	0.9382	0.8502	1.0074	0.8272	1.0763	1.0892	1.1074	1.1858	0.8029	0.7766	0.9680	0.9381
PC 36:1; [M+H]+@7.20	0.9554	0.8257	1.0920	0.7085	1.0408	0.9325	0.8974	0.5457	0.8566	1.0186	0.9258	0.7467	1.1581	1.1372	1.1548	0.9751	0.7650	0.5555	0.8960	0.9807
PC 36:2; [M+H]+@6.75	0.9884	0.8977	1.0559	0.8324	1.0227	0.9479	0.9921	0.6280	0.8920	0.9553	0.9707	0.7662	1.1008	1.2016	1.0928	1.0669	0.8023	0.7112	0.9263	0.8940
PC 36:3; [M+H]+@6.28	1.0071	0.8074	1.0617	0.7857	0.9926	0.8337	0.9750	0.4795	0.8774	0.9518	0.9980	0.6921	1.1408	1.1607	1.0897	0.8857	0.8210	0.7265	0.9346	0.8995
PC 36:4; [M+H]+@6.01	1.0084	1.0126	1.0076	0.7851	1.0002	1.0128	0.9456	0.6222	0.9047	0.8257	1.0243	0.9941	1.0876	0.8916	1.1335	0.8535	0.8791	0.7509	0.9841	0.9080
PC 36:6; [M+H]+@5.47	1.0389	0.4423	1.1740	0.6352	1.0279	0.4756	0.9075	0.5345	0.7706	0.4572	0.9846	0.4454	1.3236	0.9067	1.2372	0.5664	0.6522	0.9141	0.7558	0.5480
PC 36:7; [M+H]+@5.32	1.0170	0.8040	1.1089	0.9446	1.1128	0.9332	0.8904	0.4009	0.7771	0.6546	0.9089	0.6455	1.1646	0.9723	1.1822	0.9297	0.7833	0.4787	0.8529	0.9173
PC 37:1; [M+H]+@7.53	0.9886	1.0492	1.0707	0.6338	1.0984	0.8779	0.9316	0.5973	0.8994	0.6719	1.0146	0.6963	1.0370	0.9914	1.2706	0.8297	0.7822	0.5458	0.8935	0.8605
PC 37:4; [M+H]+@7.35	1.0339	0.8094	0.9418	0.8830	1.1109	0.8852	1.2244	0.3131	0.9901	0.8323	1.0647	0.6717	1.0296	0.9063	1.0809	0.9643	1.0147	0.5318	0.8372	1.0500
PC 37:6; [M+H]+@5.66	1.0202	0.6556	1.0977	0.8862	1.0374	0.4052	0.9874	0.4363	0.9535	0.5341	1.0878	0.6367	1.0772	0.7679	1.1290	0.3117	0.9237	1.0152	1.0165	0.4400
PC 38:3; [M+H]+@6.99	1.0393	0.9273	1.0380	0.8195	1.0343	0.9696	0.9111	0.3863	0.9024	0.8309	0.9929	0.8295	1.1106	1.0223	1.1100	0.9828	0.8160	0.4827	0.9370	0.9293
PC 38:4; [M+H]+@6.78	1.1008	1.2013	0.9475	0.6743	1.0120	0.8788	0.9954	0.4723	0.9612	0.9498	1.0759	1.1605	1.0080	0.8509	1.1293	0.9431	0.8654	0.6612	0.9962	0.8727
PC 38:5; [M+H]+@6.25	1.0234	0.8937	1.0402	0.7467	1.0174	0.7589	0.9398	0.5374	0.9017	0.8529	1.0234	0.8245	1.1188	1.0180	1.1318	0.7993	0.7448	0.6847	0.9822	0.8635
PC 38:6; [M+H]+@6.06	1.0822	0.6843	1.0133	0.7102	1.0028	0.6553	1.0799	0.7144	0.9838	0.6150	1.0750	0.7118	1.0593	1.0824	1.0926	0.6963	0.8507	0.9026	1.0352	0.5716
PC 38:7; [M+H]+@5.83	0.9765	0.8927	1.0750	0.8372	1.0161	1.0044	1.0173	0.9697	0.9858	0.6811	1.0391	0.9012	1.0638	1.1669	1.0067	0.8682	0.7795	0.7490	0.9829	0.7016
PC 38:9; [M+H]+@5.42	0.9434	0.9470	1.1197	0.7771	1.0470	0.7438	0.9442	0.5031	0.8773	0.6546	0.8984	0.7830	1.2283	1.1640	1.1406	0.6422	0.6173	0.5002	0.9105	0.7652
PC 39:3; [M+H]+@6.62	1.0570	1.9552	0.9209	1.5742	0.9057	2.1266	1.0080	3.0355	0.8393	0.7913	1.0125	1.3823	0.8709	1.2628	0.8461	2.0236	0.8799	0.9164	1.1122	0.8860
PC 39:4; [M+H]+@6.98	1.0800	0.8043	1.0365	0.8301	1.0138	0.7885	0.8816	0.4886	0.8574	0.8713	1.0674	0.9884	1.0951	0.9608	1.1616	0.7774	0.7370	0.5325	0.9578	0.8916
PC 39:5; [M+H]+@6.04	1.0393	0.3246	1.0670	1.4779	1.0285	0.4348	0.8359	0.5298	1.1128	0.6240	1.0221	0.3591	1.1003	1.2571	0.8908	0.6180	0.6748	0.3777	1.2696	0.5176
PC 39:7; [M+H]+@5.90	1.0828	0.6963	1.0725	0.8855	1.0187	1.0721	0.9748	0.6489	0.9825	0.7114	1.0185	0.6635	1.0455	1.1327	1.0149	0.4770	0.7600	0.7237	1.1068	0.6444
PC 40:10; [M+H]+@5.51	0.9776	0.7193	1.1922	0.9244	0.9723	0.6128	0.9109	0.2688	0.9198	0.6296	0.9723	0.6167	1.1294	1.1125	1.0833	0.7626	0.7770	0.6033	0.9674	0.7232
PC 40:1; [M+H]+@8.20	0.9126	0.9243	1.0038	0.9436	1.0092	0.9988	0.9474	0.5724	0.8478	0.8989	1.0270	0.5524	1.1671	1.1944	1.1735	0.9323	0.7248	0.5701	0.9629	1.0678
PC 40:2; [M+H]+@7.89	0.9279	0.8020	1.0809	0.8533	1.0467	0.8096	0.9990	0.6700	0.8921	0.8450	0.9446	0.7010	1.0965	1.3863	1.1378	0.9502	0.8198	0.8556	0.8966	0.9059
PC 40:6; [M+H]+@6.70	1.0407	0.8666	0.9968	0.6912	1.0590	0.6731	1.0759	0.5265	1.0015	0.5549	1.0467	0.8409	1.0061	0.9945	1.1864	0.6869	0.8842	0.7033	1.0375	0.5719
PC 40:9; [M+H]+@5.48	0.9034	0.7672	1.1921	0.7379	1.1644	0.6047	1.0800	0.6139	0.7921	0.1971	0.9061	0.4914	1.2993	0.8561	1.1002	0.5785	0.6686	0.6418	0.8621	0.4736
PC 42:10; [M+H]+@5.72	0.8824	0.6082	1.0898	0.9099	1.0434	0.5896	1.0778	0.4597	0.8028	0.4442	0.9726	0.6363	1.1764	1.3431	1.2664	0.8138	0.7800	0.5057	0.9134	0.5699
PC 42:11; [M+H]+@5.69	0.9437	1.0348	0.9987	0.9340	0.9824	1.1539	1.0503	1.0415	1.0546	0.8856	0.9065	1.0385	1.0941	1.2734	1.0331	1.2371	0.7963	0.6893	0.9392	0.8234
PC 42:1; [M+H]+@8.77	0.9782	0.7574	1.0196	0.8888	1.0460	0.8773	1.0728	0.8304	0.8707	0.7077	1.0550	0.7210	1.0845	1.2128	1.1762	0.8875	0.7763	0.7357	0.9063	0.8080
PC 42:2; [M+H]+@8.50	0.9673	0.6267	1.0539	1.1397	1.0541	0.7213	0.9517	0.6506	0.7953	0.8981	0.9358	0.5595	1.1488	1.5794	1.0993	0.9066	0.8588	0.8262	0.9174	0.8495
PC 42:3; [M+H]+@7.97	0.9099	0.7959	1.0432	0.7320	0.9913	0.7105	1.0388	0.6472	0.8375	0.7754	1.0967	0.5822	1.1479	1.1701	1.1357	0.9003	0.7892	1.1550	0.9875	0.8122
PC 42:4; [M+H]+@7.90	0.9524	0.8642	1.0805	0.9351	0.9883	1.1468	0.8989	0.4106	0.8157	1.0689	0.9557	0.9154	1.1427	1.1918	1.0702	1.1433	0.7796	0.7010	0.9351	1.1254
PC 42:5; [M+H]+@7.45	0.9318	0.9191	1.0365	0.7867	1.1855	0.7789	0.9583	0.7758	0.8236	0.7969	0.9675	0.8032	1.0531	1.0103	1.3118	0.8047	0.8134	0.5661	0.9016	0.7281
PC 42:6; [M+H]+@7.12	0.9720	0.8380	1.0095	0.8091	1.2257	0.9009	0.7901	0.3406	0.9072	0.7917	0.9511	0.8368	1.0801	1.1792	1.2322	0.8859	0.7911	0.6675	0.9106	0.6740
PC 42:7; [M+H]+@6.79	0.9620	0.9466	0.9635	0.8289	1.0048	0.6321	0.7912	0.8495	0.9902	0.7689	1.1719	0.8007	1.1216	1.1247	1.1404	0.7773	0.6920	1.1267	1.0077	0.8072
PC 42:8; [M+H]+@6.32	1.0916	0.7007	0.9378	0.7468	0.9741	0.8494	1.0813	1.0236	1.0303	0.7697	1.1250	0.6787	1.0015	1.3082	1.0515	0.7338	0.8649	0.8680	1.0856	0.8512
PC 42:9; [M+H]+@5.96	1.0237	0.7062	1.0780	1.1314	1.0686	0.9470	0.8938	0.4321	0.7698	0.4168	0.9341	0.5737	1.1999	1.2724	1.1714	0.7229	0.8113	0.7742	0.9076	0.4969
PC 44:3; [M+H]+@8.58	0.8677	0.7262	1.0569	0.9416	1.1371	0.7622	0.9933	0.5685	0.8444	1.0796	1.0330	0.5872	1.0556	1.2691	1.1958	0.8879	0.8354	0.8282	0.8569	1.0102
PC 44:4; [M+H]+@8.45	0.9321	0.6441	1.1148	0.9677	1.0762	0.7229	0.9175	0.5854	0.9007	0.7990	1.0196	0.8278	1.0773	1.6138	1.0786	0.6967	0.8591	0.8829	0.8484	0.6540
PC 44:5; [M+H]+@7.96	0.8772	0.8226	1.0088	0.6252	1.1865	0.7829	0.8134	0.6378	0.9286	0.8354	0.9460	0.5639	1.1383	1.1301	1.2501	0.6826	0.8400	0.5989	0.9550	0.9170
PE 21:4; [M+H]+@1.32	0.9672	1.0299	0.9994	0.6887	1.0047	1.2517	0.8803	0.9170	0.8451	1.0763	1.0201	0.8117	1.1108	1.3444	1.1346	1.2570	0.7622	0.7581	0.9727	0.8288
plasmenyl-PC 18:0; [M+Na]+@1.75	1.1284	1.0871	0.9904	1.0775	1.0499	1.0524	0.9422	0.3018	0.9700	0.8966	1.0437	0.9222	0.9888	1.1551	1.0218	0.9677	0.7715	0.8986	0.9430	1.0689
plasmenyl-PC 20:0; [M+Na]+@2.49	1.3585	0.8676	0.7159	1.1422	0.9551	1.0676	1.4052	0.6158	1.2475	1.0801	1.1532	0.8672	0.7632	1.2060	0.8998	0.8419	1.0647	0.6675	1.1408	1.1308
plasmenyl-PC 36:4; [M+Na]+@6.50	1.1296	1.4439	0.8898	0.9380	1.0413	1.4700	0.9342	1.3883	0.9640	0.8692	0.8411	1.0581	0.9394	1.7959	0.9754	1.2342	1.0271	1.1535	1.0516	1.0049
plasmenyl-PC 40:0; [M+Na]+@8.27	1.0121	0.8177	0.9921	0.7792	1.0489	1.0498	1.0441	0.5732	0.7991	0.9493	1.0469	0.8658	1.1068	0.9677	1.1074	1.2397	0.9692	0.6158	0.8468	1.1622
plasmenyl-PC 44:4; [M+Na]+@8.24	0.9419	0.8811	1.0891	0.8723	1.0487	1.0007	0.9327	1.1026	0.9219	0.8887	0.9660	0.7540	1.0754	0.9607	1.1012	1.1843	0.7645	0.9449	0.9073	1.1174
SM 28:1; [M]+@3.52	1.0147	0.7212	1.1779	0.5993	0.9515	0.8174	0.8861	0.4329	0.8201	0.8085	0.9343	0.6248	1.2779	0.9634	1.0974	1.0454	0.7382	0.6344	0.8668	0.6099
SM 29:1; [M]+@3.89	1.0251	0.5943	1.1381	0.3725	1.0121	0.7328	0.8447	0.2513	0.7476	0.5951	0.9723	0.4668	1.3712	0.7446	1.2056	0.8258	0.6169	0.0931	0.9416	0.6664
SM 30:0; [M]+@4.62	1.1024	0.8458	1.2167	0.4358	1.0532	0.4769	1.0015	0.5449	0.8630	0.5552	0.9616	0.4890	1.2873	0.5992	1.0840	0.7306	0.7236	0.5329	0.6798	0.5918
SM 30:1; [M]+@4.32	1.0067	0.7184	1.1517	0.5223	1.0389	0.6165	0.8853	0.4173	0.8023	0.6797	1.0637	0.5443	1.2728	0.7492	1.1488	0.6795	0.6618	0.5093	0.8692	0.6452
SM 32:0; [M]+@5.40	1.0770	0.9601	1.0709	0.7145	0.9772	0.8570	0.9440	0.6784	0.9067	0.7585	1.0241	0.7384	1.1211	0.7898	1.0658	0.9362	0.7543	0.9674	1.0184	0.7968
SM 32:1; [M]+@5.03	1.0523	0.7592	1.0377	0.6576	0.9723	0.7693	1.0033	0.5006	0.8744	0.9198	1.1023	0.6809	1.1543	0.9282	1.1131	0.8835	0.7358	0.5992	0.9431	0.8944
SM 32:2; [M]+@4.61	1.0642	0.6213	1.1243	0.6030	1.0070	0.5940	0.9412	0.4176	0.8408	0.7024	1.0917	0.5246	1.2190	0.7996	1.1559	0.5904	0.6928	0.4829	0.8661	0.7292
SM 33:0; [M]+@5.72	1.1082	0.7732	1.0358	0.7032	0.9904	0.7533	1.0565	0.5937	0.8720	0.8347	1.0480	0.6521	1.0750	0.9874	1.0649	0.8318	0.8721	0.8360	1.0184	0.9415
SM 33:1; [M+Na]+@5.42	1.0744	0.8996	1.0181	0.8684	0.9554	1.0602	1.0675	0.5891	0.9898	0.8895	1.0549	0.8315	1.0358	1.0195	1.0180	0.9672	0.8166	0.9329	0.9676	1.0463
SM 33:2; [M]+@4.96	1.1069	0.7288	0.9799	0.6457	0.9233	0.7334	1.1508	0.5349	0.8558	0.8938	1.1469	0.6335	1.1589	0.8883	1.1734	0.6981	0.7027	0.4434	0.9607	0.8441
SM 34:1; [M]+@5.73	1.0191	0.8739	1.0332	0.7573	0.9694	0.8364	1.0723	0.6635	0.9428	0.9171	1.0007	0.7463	1.0954	1.0789	1.0507	0.9355	0.8512	0.8206	0.9958	0.9113
SM 34:2; [M]+@5.20	1.0672	0.7427	1.0059	0.6634	0.9883	0.7471	1.1198	0.4483	0.9396	0.8806	1.0934	0.6313	1.0777	0.9349	1.0871	0.8423	0.8654	0.5253	0.9946	0.9245
SM 35:0; [M]+@6.39	1.0316	1.0152	1.0041	0.7150	0.9169	1.0452	1.0212	0.9682	1.0353	1.0487	1.1112	1.0075	0.9986	1.0045	0.9397	0.9547	0.7974	1.3717	1.1221	0.9914
SM 35:2; [M]+@5.50	1.0798	0.7821	0.9916	0.7084	0.9659	0.6138	1.1676	0.3637	0.9013	0.9368	1.0990	0.6002	1.0731	0.9408	1.1265	0.7271	0.9159	0.5644	0.9879	0.9129
SM 36:1; [M]+@6.45	1.0567	0.8332	0.9743	0.6652	0.9975	0.8079	1.2578	0.6986	0.9554	0.9467	1.0541	0.7117	1.0339	0.8710	1.0678	0.8696	0.9159	0.8077	1.0273	0.9118
SM 36:2; [M]+@5.92	1.0643	0.8764	0.9138	0.6505	0.9614	0.7278	1.3260	0.4988	1.0423	0.9364	1.0925	0.8380	0.9809	0.8398	1.0507	0.8013	1.0430	0.5873	1.0869	1.0026
SM 37:0; [M]+@7.04	1.1121	0.8581	1.0027	0.5902	0.9664	0.7130	1.0249	0.4246	0.9634	1.0893	1.0517	0.7210	1.0334	0.8523	1.1280	0.9013	0.9656	0.7398	0.9790	0.9418
SM 37:1; [M]+@6.83	1.0989	1.0080	0.9470	0.6445	0.9626	0.8981	1.2494	0.7477	0.9967	0.9602	1.1180	0.8525	0.9919	0.8876	1.0348	0.8056	0.8841	0.8960	1.0317	0.9671
SM 37:2; [M]+@6.33	1.0926	0.7262	0.9768	0.6262	0.9810	0.6814	1.1045	0.4618	1.0059	0.8353	1.1074	0.7989	1.0464	1.0537	1.0669	0.8495	0.8428	0.5948	1.0185	0.9511
SM 38:0; [M]+@7.34	0.9871	1.0521	1.0246	0.8180	1.0434	0.8113	1.0427	0.4429	0.9216	0.8744	0.9943	0.9057	1.0864	0.9673	1.1414	0.8231	0.7995	0.4306	0.9583	0.8574
SM 38:1; [M]+@7.05	1.0305	1.0210	1.0298	0.8266	1.0090	0.8159	1.0520	0.5671	0.9194	0.9246	1.0401	0.9439	1.0883	1.0060	1.0439	0.8399	0.8256	0.5649	0.9386	0.9075
SM 38:4; [M]+@5.61	1.1621	0.6382	1.0143	0.5537	0.8562	0.7831	1.1816	0.3453	0.7923	0.8681	1.2700	0.5301	1.0277	0.8686	1.0992	0.6327	0.9674	0.4860	1.1513	0.7286
SM 39:0; [M]+@7.63	1.0086	0.9978	1.0487	0.7007	1.0246	0.7290	1.0142	0.4104	0.8966	0.7944	1.0194	0.8747	1.0951	0.9328	1.1499	0.8714	0.7517	0.4641	0.9976	0.8502
SM 39:1; [M]+@7.13	1.0352	1.0002	1.0056	0.8811	0.9776	0.7441	0.8560	0.3580	0.9617	0.8409	1.0066	1.2118	1.1232	0.9622	1.0534	0.8718	0.8508	0.3846	1.0544	0.7809
SM 39:2; [M]+@6.92	1.0786	0.9748	1.0034	0.6476	1.0189	0.7078	1.0323	0.3314	0.9890	0.9424	1.0410	0.8103	1.0604	0.8578	1.1275	0.6516	0.8128	0.3401	1.0226	0.8206
SM 40:1; [M]+@7.62	1.0316	0.9702	1.0184	0.8671	0.9772	0.9773	1.0490	0.5977	0.9138	0.8399	1.0756	0.8586	1.0579	1.1580	1.0726	0.9961	0.8198	0.5885	0.9554	0.8768
SM 40:2; [M]+@6.97	1.0878	0.9108	1.0159	0.7502	0.9791	0.7256	1.0586	0.4301	0.9208	0.9506	1.0641	0.8113	1.0952	1.0448	1.0585	0.7702	0.8486	0.4139	0.9577	0.8771
SM 40:4; [M]+@6.24	1.0939	0.8604	1.0222	0.5018	1.0182	0.8391	1.1979	0.6467	0.9900	0.9692	0.9811	0.9146	1.0815	0.8703	0.9747	0.8520	0.8197	0.7515	1.0603	0.6581
SM 40:5; [M]+@5.92	1.0545	0.9907	0.9657	0.3982	0.9040	1.0473	1.1173	0.7059	0.9450	1.2653	1.1249	0.5989	1.0445	1.2796	1.0939	1.1139	0.8821	0.9979	0.9779	0.8147
SM 41:1; [M]+@7.95	1.0115	0.9328	1.0276	0.7280	0.9999	0.8847	1.0756	0.5905	0.9027	0.6991	1.0656	0.8123	1.0881	1.0185	1.1154	0.9289	0.8157	0.6453	0.9758	0.7667
SM 41:2; [M]+@7.54	1.0129	0.8983	1.0630	0.6549	0.9861	0.6776	1.0762	0.4959	0.9310	0.7382	1.0104	0.7878	1.1129	0.9581	1.1257	0.7113	0.8115	0.5262	0.9983	0.7422
SM 41:4; [M]+@6.75	1.0314	1.0530	0.9513	0.5612	1.0378	0.8591	0.9576	0.6207	1.0292	1.0259	1.1204	0.9615	1.0161	1.2979	1.0283	1.0681	0.7471	0.8791	1.0173	1.0042
SM 42:0; [M]+@8.39	1.0050	0.8488	0.9826	0.8484	1.0050	0.8299	1.1570	0.6050	0.9109	0.7338	1.0755	0.8622	1.0790	1.2017	1.0792	0.9299	0.8248	0.6509	0.9820	0.8247
SM 42:1; [M]+@8.15	1.0242	0.9051	1.0017	0.9147	0.9738	0.8890	1.1433	0.6311	0.8866	0.7791	1.0638	0.8312	1.0711	1.2474	1.0648	0.9204	0.8604	0.7106	0.9641	0.8396
SM 42:2; [M]+@7.65	0.9957	0.8935	1.0022	0.6435	0.9941	0.8307	1.0873	0.7728	0.9757	0.9153	1.0181	0.8228	1.0522	1.0224	1.1024	0.8627	0.8723	0.8870	1.0236	0.9482
SM 42:4; [M]+@6.82	1.1252	0.8093	0.9792	0.5703	0.9750	0.7216	1.1541	0.6879	1.0455	0.9756	1.1059	0.6612	1.0142	0.8283	1.0212	0.7223	0.9168	0.9234	1.0515	0.8393
SM 42:5; [M]+@6.47	1.1409	0.7786	0.9799	0.4767	1.1076	0.8975	1.3010	0.4772	0.9519	0.8481	1.0708	0.5875	0.9745	0.8106	1.1007	0.7460	0.9397	0.6217	0.9828	0.7534
SM 43:2; [M]+@8.08	1.0198	1.0401	0.9946	0.7168	1.0208	0.8717	1.1582	0.8614	0.9129	0.8021	1.0575	1.0009	1.0327	0.9137	1.0967	0.8938	0.9157	1.0071	0.9401	0.8737
SM 44:1; [M]+@8.68	0.8966	0.9385	0.9852	0.6412	0.9819	0.8572	1.9805	0.5670	0.8281	0.7944	0.9501	0.9409	1.0484	1.0660	1.1315	1.1374	0.8826	0.6191	0.9095	0.6229
SM 44:2; [M]+@8.18	0.9275	0.9701	1.0150	0.6858	0.9653	0.9093	1.4215	0.7403	0.9254	0.8762	0.9592	0.8569	1.0391	0.9781	1.1152	0.9184	0.9324	0.8979	0.9952	0.9139
TG 40:0; [M+NH4]+@9.44	0.4378	0.4819	0.9637	0.4046	1.7688	1.0599	0.4323	0.7711	0.5630	0.3664	0.4266	0.3946	0.8781	0.3556	3.1369	1.5206	0.3546	0.7968	0.8148	0.3913
TG 40:1; [M+NH4]+@9.13	0.5008	0.7188	1.0303	0.5193	1.8621	1.2880	0.4726	0.8014	0.5213	0.4179	0.4962	0.4358	0.9301	0.4248	2.7682	2.1277	0.4042	0.8703	0.5123	0.4403
TG 42:0; [M+NH4]+@9.74	0.4157	0.6909	1.1592	0.3966	1.7710	1.2207	0.3792	0.7792	0.4614	0.3451	0.3759	0.3660	1.0257	0.2730	2.9375	1.8277	0.2678	0.7563	0.5714	0.2406
TG 42:1; [M+NH4]+@9.48	0.3529	0.6745	1.1842	0.3377	2.0060	1.0996	0.3555	0.6477	0.4531	0.2725	0.3548	0.3340	1.0637	0.3395	2.7560	1.9136	0.2616	0.7368	0.5206	0.2706
TG 42:2; [M+NH4]+@9.19	0.3655	1.0880	1.0710	0.3739	2.1855	1.1737	0.3446	0.5597	0.4300	0.2307	0.3329	0.5101	0.9518	0.3848	2.9206	1.9839	0.2482	0.5193	0.4891	0.2191
TG 44:1; [M+NH4]+@9.80	0.4027	0.8579	1.3272	0.4107	1.7605	1.1469	0.3932	0.6363	0.4208	0.2428	0.4287	0.4147	1.2290	0.4264	2.3576	1.8335	0.2876	0.8345	0.4556	0.2917
TG 44:2; [M+NH4]+@9.51	0.3669	0.9736	1.2735	0.4164	1.9429	1.1467	0.3838	0.6379	0.3779	0.2597	0.3798	0.5346	1.1751	0.4983	2.4618	1.9507	0.2699	0.8591	0.4036	0.2142
TG 46:0; [M+NH4]+@10.28	0.6377	0.8650	1.2659	0.5692	1.4858	1.0086	0.5145	0.8041	0.5230	0.4049	0.6171	0.5864	1.2532	0.5597	1.9197	1.7674	0.3863	0.8184	0.5645	0.4821
TG 46:1; [M+NH4]+@10.05	0.5195	0.8816	1.3275	0.3898	1.5734	1.1365	0.5262	0.5755	0.4659	0.3368	0.5200	0.5945	1.3237	0.5241	2.0056	1.5079	0.3791	0.7086	0.5024	0.3167
TG 46:2; [M+NH4]+@9.81	0.4779	0.9406	1.3342	0.4702	1.7211	0.9932	0.5159	0.6403	0.4334	0.3163	0.4455	0.5970	1.2786	0.5607	2.0476	1.5666	0.3515	0.7988	0.4993	0.2917
TG 46:3; [M+NH4]+@9.56	0.4766	1.1634	1.2740	0.5045	1.8407	0.9442	0.4823	0.6586	0.4586	0.3035	0.4493	0.6686	1.2236	0.6471	2.0658	1.4529	0.3330	0.8013	0.4882	0.3536
TG 48:0; [M+NH4]+@10.53	0.7386	1.1701	1.2344	0.6391	1.3218	1.2899	0.7170	0.6940	0.6282	0.6470	0.7262	0.8792	1.2025	0.8327	1.4249	1.7881	0.5181	0.7854	0.7244	0.6709
TG 48:1; [M+NH4]+@10.30	0.7449	0.9901	1.1947	0.5841	1.3322	1.3404	0.7415	0.6879	0.6300	0.6775	0.7270	0.7218	1.2200	0.8387	1.5459	1.5762	0.5397	0.7895	0.6584	0.6575
TG 48:2; [M+NH4]+@10.08	0.7236	0.8836	1.2166	0.6240	1.3758	1.0336	0.7049	0.7624	0.6350	0.6403	0.7041	0.7476	1.2335	0.8527	1.5612	1.2472	0.5147	0.8838	0.6761	0.6215
TG 48:3; [M+NH4]+@9.85	0.6501	0.9208	1.2283	0.6170	1.5474	0.8861	0.6870	0.6883	0.5580	0.5431	0.6064	0.7621	1.2421	0.8840	1.6575	1.1610	0.4963	0.8029	0.6505	0.5340
TG 49:0; [M+NH4]+@10.65	0.7407	1.2250	1.1395	0.4997	1.4997	1.1457	0.6740	1.0106	0.7032	0.5790	0.7831	0.8068	1.0959	0.6783	1.5856	1.9722	0.4686	0.9682	0.6686	0.6915
TG 49:1; [M+NH4]+@10.45	0.8778	0.9250	1.1261	0.5534	1.3220	1.0569	0.7648	0.8646	0.7195	0.6981	0.8160	0.7007	1.1067	0.6759	1.5571	1.3352	0.5832	1.0221	0.7331	0.7759
TG 49:2; [M+NH4]+@10.24	0.8720	0.8263	1.1489	0.6089	1.2716	0.9783	0.8468	0.8893	0.7403	0.8192	0.8526	0.6260	1.1403	0.7990	1.4240	1.1062	0.5916	1.0514	0.7389	0.7778
TG 49:3; [M+NH4]+@10.02	0.8896	0.8568	1.1104	0.7439	1.3296	0.8180	0.8284	0.7861	0.7363	0.8268	0.8368	0.7234	1.1195	1.0195	1.4327	1.0116	0.5710	1.1684	0.7003	0.8629
TG 50:0; [M+NH4]+@10.78	0.7924	1.1704	1.0997	0.6750	1.2854	1.2647	0.8255	0.6734	0.7890	0.7668	0.8449	1.0891	1.1093	0.7834	1.3644	1.5251	0.6265	0.7516	0.7669	0.9115
TG 50:1; [M+NH4]+@10.53	0.8994	1.0807	1.0394	0.6612	1.1280	1.1653	0.9367	0.7974	0.8797	0.9332	0.9326	0.9410	1.0211	0.8105	1.3116	1.4095	0.7930	0.8701	0.8764	0.9990
TG 50:2; [M+NH4]+@10.32	0.9519	0.9280	1.0288	0.6660	1.1268	0.9999	0.9530	0.7680	0.8685	0.9580	0.9584	0.8641	1.0577	0.9615	1.2453	1.2068	0.7682	0.8641	0.8742	1.0481
TG 50:3; [M+NH4]+@10.11	0.9324	1.0002	1.0324	0.6783	1.1744	0.9264	0.9247	0.8158	0.8578	0.8998	0.9224	0.8584	1.0596	1.0838	1.2898	1.0874	0.7610	0.9315	0.8523	0.8863
TG 50:4; [M+NH4]+@9.91	0.8753	1.0473	1.0457	0.8084	1.2641	0.8965	0.8972	0.8683	0.7768	0.7962	0.8398	0.9519	1.0639	1.1345	1.3651	1.0273	0.7132	1.0502	0.8515	0.8440
TG 50:5; [M+NH4]+@9.72	0.7899	0.9641	1.1296	0.7078	1.3650	0.7800	0.7306	0.7245	0.7244	0.6819	0.7694	0.8791	1.1432	1.0159	1.4542	0.9425	0.5694	0.9191	0.8525	0.7285
TG 51:1; [M+NH4]+@10.05	0.5922	0.8305	1.2347	0.5352	1.4808	0.8806	0.5331	0.8990	0.4624	0.4111	0.6827	0.6646	1.3751	0.5737	1.8475	1.5717	0.4785	0.5717	0.4609	0.6510
TG 51:1; [M+NH4]+@10.69	0.9174	1.2244	1.0128	0.6292	1.2978	1.1544	0.9801	0.7196	0.9068	0.8128	0.8885	0.8497	0.9368	0.7606	1.4949	1.2666	0.7118	1.0042	0.7707	0.7707
TG 51:2; [M+NH4]+@10.48	0.9833	1.0095	0.9952	0.7122	1.2239	0.9087	0.9900	0.8039	0.8514	0.8735	0.9988	0.8990	0.9756	0.8478	1.3727	1.0589	0.7471	0.9318	0.7994	0.9992
TG 51:2; [M+NH4]+@9.83	0.6524	1.2339	1.1826	0.3835	1.4541	1.2558	0.7305	0.6202	0.5301	0.4059	0.6328	0.4934	1.2808	0.8501	1.7266	1.4715	0.5271	0.7600	0.6949	0.3466
TG 51:3; [M+NH4]+@10.29	1.0275	1.0823	0.9324	0.6805	1.1162	0.9154	1.0962	0.8362	0.8936	1.0149	1.0295	0.9982	0.9540	1.1039	1.2115	0.9321	0.9170	1.0327	0.9176	1.0356
TG 51:3; [M+NH4]+@9.62	0.6216	0.9561	1.1365	0.6514	1.5803	0.7349	0.6096	0.6100	0.6335	0.5235	0.5804	0.7695	1.2124	0.8499	1.9253	0.9888	0.4439	0.6439	0.6375	0.4900
TG 51:4; [M+NH4]+@10.10	1.0179	1.0693	0.9429	0.8527	1.1346	0.7841	1.0080	0.9249	0.8806	0.9968	0.9906	1.1428	0.9582	1.2265	1.2091	0.9239	0.8601	1.0398	0.9338	1.0404
TG 51:4; [M+NH4]+@9.41	0.6408	1.1246	1.2046	0.7727	1.5422	0.9867	0.7048	0.7814	0.6529	0.7289	0.6418	0.6181	1.1133	0.8437	1.6528	1.0986	0.5861	0.7543	0.6957	0.5936
TG 51:6; [M+NH4]+@9.63	0.8831	0.4951	1.1627	0.7526	1.1472	0.5629	1.0201	0.6317	0.7552	0.7209	0.8257	0.8007	1.0958	0.8797	1.3484	0.4726	0.7389	0.5837	0.9992	1.0916
TG 52:0; [M+NH4]+@11.00	0.7619	1.6735	1.0763	0.5956	1.3950	1.3318	0.7503	0.5894	0.7492	0.7353	0.8055	1.1028	1.0826	0.7596	1.4185	1.9665	0.5997	0.6128	0.7562	0.7627
TG 52:1; [M+NH4]+@10.80	0.8777	1.3517	1.0263	0.6474	1.1683	1.2382	0.9278	0.6555	0.8533	0.8532	0.8547	1.0424	1.0413	0.9145	1.3322	1.5054	0.7583	0.6848	0.8878	0.9196
TG 52:2; [M+NH4]+@10.56	1.0216	1.1645	0.9527	0.7577	1.0202	1.1420	1.0614	0.7588	0.9878	1.0534	1.0251	1.0099	0.9615	1.0248	1.1145	1.1292	0.8423	0.8263	0.9967	1.1605
TG 52:3; [M+NH4]+@10.36	1.0534	1.1424	0.9280	0.7785	1.0076	0.9421	1.1357	0.7815	0.9963	1.0602	1.0503	1.0901	0.9270	1.1279	1.0818	1.0413	0.9336	0.8944	1.0061	1.1108
TG 52:4; [M+NH4]+@10.15	1.0409	1.2191	0.9127	0.7682	1.0118	0.8817	1.1628	0.8406	0.9591	0.9909	1.0520	1.1448	0.9294	1.1225	1.1049	0.9511	0.9773	0.9028	1.0393	1.0038
TG 52:5; [M+NH4]+@9.95	1.0291	1.1498	0.9279	0.8040	1.0740	0.8563	1.0716	0.8116	0.9147	0.9642	1.0226	1.0736	0.9496	1.1560	1.1794	0.9169	0.8778	0.8906	1.0146	1.0263
TG 52:6; [M+NH4]+@9.80	0.9434	1.0098	1.0255	0.7862	1.1890	0.7140	0.8888	0.7473	0.8342	0.8100	0.9229	0.9729	1.0458	1.0972	1.2801	0.8163	0.7190	0.8077	0.9917	0.8729
TG 52:7; [M+NH4]+@9.63	0.8434	0.8747	1.1170	0.6834	1.3080	0.6310	0.7474	0.5544	0.8509	0.6112	0.7856	0.7624	1.1566	0.9361	1.4044	0.7351	0.6003	0.6492	0.9176	0.6282
TG 53:1; [M+NH4]+@10.91	0.8316	1.1947	1.0401	0.5040	1.3247	1.0110	0.9786	0.6895	0.7772	0.6839	0.9223	0.9174	1.0088	0.8739	1.4819	1.5630	0.7403	0.7306	0.7365	0.8284
TG 53:2; [M+NH4]+@10.08	0.8923	1.1402	1.1655	0.7430	1.2680	0.9583	0.6644	0.7396	0.7390	0.6730	0.7968	0.8368	1.1524	1.0097	1.4005	1.0221	0.5810	0.9487	0.7277	0.8133
TG 53:2; [M+NH4]+@10.72	0.9627	1.1007	0.9094	0.7537	1.2194	1.0700	1.1220	0.7431	0.8909	0.8981	1.0043	0.9721	0.8949	0.9260	1.3653	1.2435	0.9004	0.8546	0.8524	1.1236
TG 53:3; [M+NH4]+@10.52	1.0389	1.0954	0.8978	0.7932	1.1155	0.9454	1.1727	0.8405	0.9112	0.9341	1.0763	0.9833	0.8783	1.1397	1.2637	1.0345	0.8898	1.0463	0.9332	1.0221
TG 53:4; [M+NH4]+@10.33	1.0768	1.0409	0.8801	0.8410	1.0683	0.8788	1.1234	1.0139	0.9796	1.0633	1.0837	1.0316	0.8878	1.1685	1.1129	1.1197	0.9787	1.0906	0.9817	1.1002
TG 53:5; [M+NH4]+@10.13	1.0237	0.9525	0.8941	0.9713	1.1019	0.7516	0.9446	0.8339	0.8795	0.8532	0.9689	0.9648	0.9791	1.2439	1.1814	1.2824	0.8945	1.0518	1.0996	1.1757
TG 53:6; [M+NH4]+@9.95	0.9777	0.9548	1.0370	0.7867	1.2203	0.7111	0.9201	0.8446	0.9136	0.6794	0.9041	0.7838	1.0282	0.9348	1.3590	0.5201	0.7297	0.7860	0.8988	0.7659
TG 53:7; [M+NH4]+@9.72	0.9368	1.0820	1.0318	0.7422	1.1557	1.1015	0.9639	0.5070	0.8069	0.9858	1.1190	1.0483	0.9963	0.8900	1.1673	0.8297	0.8750	0.8102	0.9019	0.9187
TG 54:0; [M+NH4]+@11.24	0.7124	1.7069	1.0864	0.6138	1.3796	1.0219	0.6564	0.7070	0.6142	0.6048	0.7672	1.1021	1.1800	0.7159	1.5739	1.6942	0.5783	0.5791	0.7788	0.6626
TG 54:1; [M+NH4]+@11.03	0.7685	1.3715	1.0807	0.6049	1.2670	1.0462	0.7951	0.6658	0.7615	0.7142	0.8171	0.9686	1.1699	0.7944	1.4096	1.6357	0.6656	0.7692	0.8108	0.6156
TG 54:2; [M+NH4]+@10.82	0.8984	1.1552	0.9923	0.7257	1.1136	1.1713	0.9935	0.7721	0.8784	0.8752	0.9409	0.9507	1.0329	0.9254	1.2662	1.3715	0.8406	0.7917	0.9331	0.9431
TG 54:3; [M+NH4]+@10.64	0.9507	1.2076	0.9417	0.7147	1.0205	1.2286	0.9984	0.9561	0.9755	0.9487	0.9668	1.0163	0.9848	1.0339	1.1627	1.3708	0.9068	1.0903	1.0449	1.0293
TG 54:4; [M+NH4]+@10.43	0.9991	1.1309	0.9127	0.8292	1.0174	1.0439	1.0879	0.9123	0.9562	0.9542	1.0231	0.9749	0.9620	1.1865	1.1073	1.1563	0.9436	1.1004	1.0598	1.0492
TG 54:5; [M+NH4]+@10.21	1.0124	1.1516	0.9111	0.7994	1.0205	0.9220	1.0974	0.8889	0.9492	0.9365	1.0303	0.9972	0.9527	1.1949	1.1130	1.0513	0.9711	1.0163	1.0843	0.9839
TG 54:6; [M+NH4]+@10.03	1.0287	1.0739	0.9189	0.8073	1.0100	0.8040	1.1083	0.8070	0.9306	0.8692	1.0292	1.0339	0.9560	1.1604	1.1331	0.9397	0.9705	0.9021	1.1211	0.9611
TG 54:7; [M+NH4]+@9.85	1.0016	0.9311	0.9784	0.7653	1.0668	0.7080	1.0107	0.7081	0.9030	0.8166	0.9672	0.9462	1.0167	1.1126	1.1809	0.8374	0.8787	0.8401	1.1104	0.8423
TG 54:8; [M+NH4]+@9.69	0.9373	0.7489	1.0549	0.7578	1.1565	0.5842	0.8380	0.6012	0.9016	0.5899	0.9184	0.8167	1.1261	1.0942	1.2395	0.6135	0.7134	0.8124	1.0550	0.6357
TG 55:2; [M+NH4]+@10.94	0.8643	0.7851	1.0619	0.7112	1.2689	0.8671	0.9644	0.6606	0.7796	0.8539	0.9480	0.9327	1.0735	0.7234	1.3943	1.2475	0.6913	0.6831	0.7864	0.8900
TG 55:3; [M+NH4]+@10.75	0.9279	1.1532	0.9215	0.7895	1.1318	0.9043	0.9749	0.8140	0.9275	0.9840	1.0025	0.8797	0.9256	0.8649	1.4154	0.9609	0.8371	0.9845	0.9520	1.2677
TG 55:4; [M+NH4]+@10.54	1.0147	0.8570	0.9419	0.6062	1.1115	0.8492	1.0419	1.0573	1.0049	0.9639	1.0430	0.8105	0.9600	1.0202	1.1808	0.8478	0.8237	1.3724	1.0582	0.7940
TG 55:5; [M+NH4]+@10.48	1.0663	1.1823	0.9728	0.8249	1.1848	0.6466	0.9874	0.9162	0.8361	0.9239	1.0911	0.9064	0.9572	1.5149	1.1276	0.7526	0.7295	0.9671	0.9210	0.8899
TG 55:6; [M+NH4]+@10.27	0.9700	0.7953	1.0360	0.7598	1.1097	0.8585	0.9641	0.7547	0.9623	0.7069	1.0065	1.0194	1.0546	0.9446	1.1873	0.8741	0.7973	0.8630	0.9007	0.7681
TG 55:7; [M+NH4]+@10.09	1.0715	0.7299	1.0533	0.8951	1.0864	0.7527	0.9481	0.6589	1.0078	0.6551	0.9933	0.7089	1.1059	0.9961	1.0984	0.6772	0.6936	0.9321	0.9059	0.6966
TG 55:8; [M+NH4]+@9.86	0.9387	0.6232	1.0506	0.9315	1.1085	0.4562	0.9700	0.7871	0.8746	0.7708	1.0228	0.6141	1.1272	1.0140	1.2012	0.7185	0.6822	0.7320	1.0114	0.6834
TG 56:10; [M+NH4]+@9.64	0.8767	0.6299	1.1577	0.7041	1.0936	0.4139	0.8268	0.4080	0.9707	0.4530	0.8818	0.5120	1.2040	1.1081	1.2133	0.4701	0.6652	0.4269	1.0910	0.4480
TG 56:1; [M+NH4]+@11.27	0.5532	0.9230	1.1963	0.9164	1.2842	0.5131	0.6489	0.6561	0.5815	0.3732	0.8059	0.4343	1.3674	0.9092	1.4990	1.5555	0.5858	0.6277	0.8426	0.5728
TG 56:2; [M+NH4]+@11.05	0.7615	1.0763	1.1042	1.0504	1.2117	1.0664	0.7010	0.7734	0.7247	0.6748	0.8491	0.8268	1.2075	1.0443	1.2973	1.4381	0.7134	0.7390	0.8628	0.6392
TG 56:3; [M+NH4]+@10.86	0.8306	1.2293	1.0025	0.7695	1.1488	0.9503	0.9758	0.8343	0.8388	0.8564	0.9323	0.8923	1.1246	1.0306	1.1979	1.4038	0.7654	0.9352	0.9151	0.9564
TG 56:4; [M+NH4]+@10.70	0.9883	1.2027	0.9312	0.8682	1.0839	0.9460	1.0241	0.9146	0.9501	0.9448	1.0286	1.1950	0.9464	1.0671	1.1423	1.0806	0.8546	0.9525	1.0115	1.0968
TG 56:5; [M+NH4]+@10.52	1.0564	1.1981	0.9248	0.9405	1.0052	0.8155	1.1098	0.8637	0.9684	0.9935	1.0477	1.1101	0.9433	1.2635	1.0601	0.8845	0.8965	1.0547	1.0330	1.0400
TG 56:6; [M+NH4]+@10.37	1.0856	1.0912	0.9244	0.8270	0.9774	0.7234	1.0866	0.8097	0.9906	0.9153	1.0767	1.0375	0.9856	1.1780	1.0512	0.7850	0.9097	0.9204	1.0492	1.0110
TG 56:7; [M+NH4]+@10.17	1.0748	0.9923	0.9556	0.8248	0.9824	0.6807	1.0439	0.7380	1.0118	0.7882	1.0861	0.9009	1.0022	1.1856	1.0536	0.7224	0.8730	0.8327	1.0896	0.8386
TG 56:8; [M+NH4]+@9.98	1.0743	0.8984	0.9598	0.8229	0.9361	0.6460	1.0714	0.7337	1.0501	0.7036	1.0943	0.9795	0.9985	1.1467	1.0355	0.6728	0.8506	0.8656	1.1696	0.7846
TG 56:9; [M+NH4]+@9.80	1.0047	0.7930	1.0424	0.8020	1.0009	0.5401	0.9672	0.6382	1.0104	0.5951	1.0101	0.7525	1.0770	1.0661	1.0687	0.6178	0.7826	0.7434	1.1955	0.6510
TG 57:6; [M+NH4]+@10.49	1.0557	0.6226	1.0704	0.9108	1.0425	0.6608	1.3107	0.6856	0.8588	0.7822	1.1898	1.2017	0.9755	0.8996	1.0065	0.6853	0.7896	1.6942	0.8832	0.7338
TG 57:8; [M+NH4]+@10.12	1.0869	0.4447	1.0475	0.7656	0.9596	0.6886	1.1079	0.9238	1.0916	0.5515	0.9813	0.7088	1.0124	1.2410	1.1511	0.5760	0.6604	1.0577	1.1306	0.4985
TG 58:10; [M+NH4]+@9.92	1.0106	0.7988	0.9896	0.7202	0.9799	0.5654	1.0213	0.6261	1.0909	0.5183	1.0737	0.8282	1.0616	1.0023	1.0420	0.5363	0.8070	0.7378	1.2602	0.5202
TG 58:11; [M+NH4]+@9.76	0.9325	0.5890	1.0988	0.7387	0.9881	0.3960	0.9316	0.4793	1.1020	0.3958	0.9203	0.5739	1.1760	0.9930	1.0808	0.4931	0.6972	0.5623	1.2608	0.4920
TG 58:12; [M+NH4]+@9.57	0.7343	0.5537	1.1289	0.7083	1.0478	0.3809	0.8730	0.5805	1.1580	0.4340	0.9380	0.3856	1.1917	1.0336	1.0546	0.5521	0.6904	0.9160	1.3226	0.4088
TG 58:2; [M+NH4]+@11.28	0.6123	0.7912	1.2610	0.7843	1.2617	1.2897	0.6084	0.5866	0.5770	0.3402	0.7702	0.5827	1.4418	0.9145	1.2926	1.5192	0.5606	0.5268	0.8620	0.3021
TG 58:3; [M+NH4]+@11.10	0.7245	0.9334	1.1262	0.8444	1.2780	1.2220	0.6704	0.5435	0.6349	0.4967	0.8628	0.7839	1.3101	1.0090	1.3035	1.4417	0.6113	0.6470	0.8770	0.4474
TG 58:4; [M+NH4]+@10.91	0.7946	1.1362	0.9592	0.7541	1.1319	0.7112	0.9692	0.8358	0.8272	0.9388	0.9894	1.1346	1.1013	1.1696	1.2752	0.9946	0.7979	0.8305	0.9752	0.9180
TG 58:5; [M+NH4]+@10.77	1.0973	1.2661	0.9302	0.8974	1.1173	0.9128	1.0776	0.7344	0.7918	0.9846	1.0947	1.1216	0.9359	0.9716	1.1963	0.7322	0.7876	0.9615	0.9995	0.9580
TG 58:6; [M+NH4]+@10.57	1.0186	1.1620	0.9700	0.9643	1.0444	0.7497	1.0552	0.7762	0.8875	0.8839	1.0788	1.1117	0.9630	1.1913	1.1463	0.7433	0.8659	0.9060	0.9953	0.8572
TG 58:7; [M+NH4]+@10.44	1.0429	1.0672	0.9746	0.8447	1.0169	0.6078	1.0579	0.7915	0.9604	0.8122	1.0605	0.9376	1.0024	1.1604	1.0848	0.6332	0.8839	0.7736	1.0601	0.8803
TG 58:8; [M+NH4]+@10.27	1.0645	0.9194	0.9499	0.8638	0.9742	0.6483	1.0586	0.7569	1.0912	0.7125	1.0863	0.8650	1.0146	1.1230	1.0095	0.6162	0.8242	0.9931	1.1659	0.6952
TG 58:9; [M+NH4]+@10.12	1.0865	0.8335	0.9424	0.7702	0.9650	0.5555	1.0379	0.7394	1.1004	0.6026	1.0939	0.8170	1.0249	1.0685	0.9894	0.6436	0.8677	0.9412	1.2445	0.6754
TG 60:10; [M+NH4]+@10.18	1.0816	0.7556	0.9788	0.8759	0.9888	0.6807	1.0191	0.8359	1.0971	0.5759	1.0193	0.8155	1.0644	0.9218	1.0555	0.4712	0.8270	0.6564	1.1460	0.6620
TG 60:11; [M+NH4]+@10.01	1.0066	0.7719	1.0072	0.8651	0.9740	0.5177	1.0026	0.6785	1.1274	0.5057	1.0441	0.6327	1.0882	1.0695	1.0537	0.4716	0.7686	0.6409	1.1757	0.6249
TG 60:12; [M+NH4]+@9.90	0.9694	0.6164	0.9928	0.7973	1.0195	0.5169	0.9674	0.6412	1.1890	0.5711	1.0480	0.5458	1.0562	0.9210	1.0568	0.4395	0.6893	0.6958	1.3659	0.5359
TG 60:13; [M+NH4]+@9.70	0.9097	0.4850	1.1423	0.6993	0.9559	0.3557	0.7998	0.5745	1.2735	0.5156	0.8622	0.3648	1.1994	0.9840	1.0642	0.4416	0.5868	0.5939	1.2809	0.4981
TG 60:1; [M+NH4]+@11.79	0.5388	1.0052	1.4269	0.6562	1.1674	0.9290	0.5762	0.5938	0.6215	0.2147	0.6492	0.4907	1.4511	0.9135	1.3604	1.1315	0.5783	0.5571	0.8251	0.3577
TG 60:2; [M+NH4]+@11.51	0.5792	0.5880	1.3194	0.8430	1.1472	1.2213	0.5650	0.6440	0.7020	0.3167	0.7556	0.5143	1.4574	0.9508	1.2060	1.4658	0.5259	0.5275	0.9615	0.3733
TG 60:6; [M+NH4]+@10.78	0.9867	1.4578	0.8590	0.8008	1.1835	0.7682	0.9567	0.7965	0.7661	1.0149	1.0081	0.9380	0.9381	1.2742	1.4810	0.8436	0.8979	0.9145	0.9444	0.7180
TG 60:8; [M+NH4]+@10.51	0.9750	1.1487	1.0140	0.9670	1.0951	0.6740	1.0026	0.5675	0.8439	0.4397	1.0222	0.7941	1.0092	1.3836	1.1875	0.5755	0.9708	1.5711	0.9200	0.8455
TG 60:9; [M+NH4]+@10.33	1.0161	0.9408	0.9547	0.7889	1.0550	0.6632	1.1459	0.6407	0.9980	0.6969	0.9894	0.8278	0.9751	0.9923	1.2189	0.6688	0.8129	0.7484	1.1047	0.9992
TG 62:13; [M+NH4]+@9.92	0.9802	0.6446	1.0306	0.7466	0.9450	0.5066	0.9142	0.6670	1.1678	0.6470	1.0750	0.6223	1.1327	0.8456	1.0224	0.4970	0.7297	0.8341	1.2041	0.6484
TG 62:14; [M+NH4]+@9.82	0.9726	0.4829	1.0473	0.7429	0.9410	0.4573	0.8395	0.6508	1.2382	0.6790	0.9530	0.5468	1.1963	0.7738	1.0518	0.3392	0.7399	0.6286	1.2060	0.6748
TG 62:2; [M+NH4]+@11.78	0.5454	0.4721	1.4063	0.8896	1.1562	1.2052	0.5114	0.4559	0.5840	0.2431	0.7563	0.4012	1.4158	1.4099	1.2394	1.2885	0.4478	0.3683	1.0514	0.2789

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