Metabolomics Workbench : NIH Data Repository

Data for (Study ST003632)

(Analysis AN005965)

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

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Metabolite	F1	F2
10_PC(16:0_18:1)+HCOO	1.1205	0.7349
10_PC(16:0_18:2)+HCOO	1.3931	0.1352
10_PC(34:2)+H	1.0822	0.8192
10_TG(16:0_18:1_18:1)+NH4	1.1256	0.7236
10_TG(16:0_18:1_18:2)+NH4	1.1141	0.7489
10_TG(16:0_18:2_18:2)+NH4	1.0252	0.9445
11_PC(34:2)+H	1.3754	0.1742
11_TG(16:0_18:1_18:1)+NH4	1.0134	0.9706
11_TG(16:0_18:1_18:2)+NH4	0.9884	1.0255
11_TG(16:0_18:2_18:2)+NH4	0.9152	1.1866
12_PC(34:2)+H	1.3985	0.1233
12_TG(16:0_18:1_18:2)+NH4	0.9823	1.0389
12_TG(16:0_18:2_18:2)+NH4	0.9497	1.1106
13_PC(34:2)+H	1.3786	0.1670
13_TG(16:0_18:1_18:2)+NH4	1.0335	0.9263
13_TG(16:0_18:2_18:2)+NH4	1.0630	0.8614
14_PC(34:2)+H	1.3881	0.1462
15_PC(34:2)+H	1.0863	0.8102
16_PC(34:2)+H	0.9349	1.1432
17_PC(34:2)+H	1.1314	0.7108
18_PC(34:2)+H	1.0130	0.9715
1_Cer(d17:0_26:1)+HCOO	1.0422	0.9072
1_Cer(d18:0_24:0)+H	1.0478	0.8948
1_Cer(d18:1_16:0)+HCOO	1.0193	0.9575
1_Cer(d18:1_18:0)+H	1.0378	0.9168
1_Cer(d18:1_20:0)+H	1.0673	0.8520
1_Cer(d18:1_20:0)+HCOO	1.0355	0.9219
1_Cer(d18:1_22:0)+H	1.0833	0.8168
1_Cer(d18:1_22:0)+HCOO	1.0705	0.8450
1_Cer(d18:1_23:0)+H	1.0914	0.7990
1_Cer(d18:1_23:0)+HCOO	1.0381	0.9163
1_Cer(d18:1_24:0)+HCOO	1.0591	0.8701
1_Cer(d18:1_24:1)+H	1.0778	0.8289
1_Cer(d18:1_24:1)+HCOO	1.0101	0.9779
1_Cer(d18:2_22:0)+H	1.0159	0.9649
1_Cer(d18:2_22:0)+HCOO	1.0541	0.8809
1_Cer(d18:2_23:0)+H	1.0214	0.9528
1_Cer(d18:2_24:1)+H	1.0527	0.8841
1_Cer(d42:0)+HCOO	1.0421	0.9075
1_Cer(d42:1)+HCOO	0.9288	1.1566
1_Cer(m18:0_24:1)+H	1.0911	0.7996
1_ChE(18:2)+NH4	0.9965	1.0076
1_ChE(20:4)+NH4	0.9595	1.0892
1_ChE(22:5)+NH4	0.9992	1.0017
1_CL(70:2)-2H	1.1230	0.7294
1_CL(74:2)-2H	1.0856	0.8116
1_CL(74:3)-2H	1.0131	0.9277
1_CL(74:4)-2H	1.1361	0.7005
1_CL(74:6)-2H	1.1143	0.7485
1_CL(74:7)-2H	1.1028	0.7738
1_CL(78:3)-2H	0.9810	1.0464
1_CL(78:6)-2H	1.0643	0.8586
1_CL(82:10)-2H	1.1168	0.7431
1_CL(82:13)-2H	1.1528	0.6639
1_CL(82:9)-2H	0.9847	1.0357
1_DG(16:0_18:1)+NH4	1.1315	0.7108
1_DG(16:0_18:2)+NH4	1.0653	0.8564
1_DG(18:0_18:0)+NH4	0.9741	1.0570
1_DG(18:0_18:1)+NH4	1.0829	0.8176
1_DG(18:0)+NH4	1.1354	0.7021
1_DG(18:1_18:1)+NH4	1.1536	0.6620
1_DG(18:1_18:2)+NH4	1.1313	0.7110
1_DG(18:1_20:4)+NH4	1.0954	0.7901
1_DG(18:2_18:2)+NH4	1.0837	0.8159
1_DG(18:2_20:4)+NH4	1.1214	0.7329
1_DG(24:1e)+NH4	0.9874	1.0276
1_DG(38:4)+NH4	1.1211	0.7335
1_Hex1Cer(d18:1_16:0)+H	1.0298	0.9345
1_Hex1Cer(d18:1_22:0)+H	1.0719	0.8419
1_Hex1Cer(d18:1_23:0)+H	1.0625	0.8626
1_Hex1Cer(d18:1_24:1)+H	1.0483	0.8937
1_Hex1Cer(d18:1_24:1)+HCOO	1.0849	0.8131
1_Hex1Cer(d42:1+O)+H	1.1611	0.6455
1_Hex2Cer(d18:1_16:0)+H	1.0860	0.8107
1_Hex2Cer(d18:1_24:1)+H	1.0269	0.9408
1_Hex2Cer(d18:2_16:0)+H	1.0575	0.8736
1_LPC(14:0)+H	1.1989	0.5623
1_LPC(14:0)+HCOO	1.1382	0.6960
1_LPC(15:0)+H	1.2541	0.4411
1_LPC(15:0)+HCOO	1.0118	0.9740
1_LPC(16:0e)+HCOO	0.9855	1.0320
1_LPC(16:0)+H	1.1292	0.7157
1_LPC(16:0)+HCOO	0.9803	1.0432
1_LPC(16:1e)+H	1.2057	0.5474
1_LPC(16:1)+H	1.0748	0.8355
1_LPC(16:1)+HCOO	1.0441	0.9029
1_LPC(17:0)+H	1.3066	0.1953
1_LPC(17:0)+HCOO	1.0749	0.8351
1_LPC(18:0)+H	1.1635	0.6404
1_LPC(18:0)+HCOO	1.0706	0.8446
1_LPC(18:1e)+H	1.0062	0.9863
1_LPC(18:1)+H	1.1278	0.7187
1_LPC(18:1)+HCOO	1.1004	0.7791
1_LPC(18:2)+H	1.0236	0.9480
1_LPC(18:2)+HCOO	1.0427	0.9061
1_LPC(20:0)+H	1.2976	0.3452
1_LPC(20:1)+H	1.1795	0.6050
1_LPC(20:3)+H	0.9858	1.0312
1_LPC(20:3)+HCOO	0.9929	1.0156
1_LPC(20:4)+H	1.0112	0.9754
1_LPC(20:4)+HCOO	1.0040	0.9912
1_LPC(20:5)+H	1.0642	0.8588
1_LPC(22:5)+H	1.0298	0.9345
1_LPE(16:0)-H	1.1503	0.6694
1_LPE(18:0)-H	0.8074	1.4237
1_LPE(18:1)-H	1.0741	0.8370
1_PC(14:0_18:2)+HCOO	1.0590	0.4101
1_PC(14:0_20:4)+HCOO	1.1378	0.6968
1_PC(15:0_16:0)+HCOO	0.9763	1.0521
1_PC(15:0_18:1)+HCOO	0.8674	1.2917
1_PC(15:0_18:2)+H	1.2530	0.4434
1_PC(15:0_18:2)+HCOO	1.0242	0.9114
1_PC(15:0_20:4)+HCOO	0.8123	1.7979
1_PC(15:0_22:6)+HCOO	1.0221	0.8453
1_PC(16:0_14:0)+HCOO	1.0418	0.9080
1_PC(16:0_16:0)+H	1.1813	0.6010
1_PC(16:0_16:0)+HCOO	0.9998	1.0005
1_PC(16:0_16:1)+HCOO	1.0066	0.9803
1_PC(16:0_18:1)+H	1.1617	0.6442
1_PC(16:0_18:1)+HCOO	1.0780	0.8284
1_PC(16:0_18:2)+H	1.0983	0.7838
1_PC(16:0_18:2)+HCOO	1.0629	0.8616
1_PC(16:0_20:3)+H	1.0276	0.9393
1_PC(16:0_20:3)+HCOO	1.0337	0.9259
1_PC(16:0_20:4)+HCOO	0.9888	1.0246
1_PC(16:0_20:5)+HCOO	1.0512	0.8873
1_PC(16:0_22:4)+HCOO	1.0827	0.8180
1_PC(16:0_22:5)+HCOO	1.0588	0.8707
1_PC(16:0_22:6)+HCOO	1.0524	0.8847
1_PC(16:0e_16:0)+HCOO	1.3361	0.0878
1_PC(16:0e_18:1)+HCOO	1.0788	0.8266
1_PC(16:0e_18:2)+HCOO	0.9792	1.0458
1_PC(16:0e_20:3)+HCOO	1.2011	0.5576
1_PC(16:0e_20:4)+HCOO	0.9192	1.1976
1_PC(16:1_18:2)+HCOO	0.9286	1.2617
1_PC(16:1e_16:0)+HCOO	1.1006	0.7787
1_PC(16:1e_18:1)+H	1.2208	0.5143
1_PC(16:1e_18:1)+HCOO	1.0038	0.9916
1_PC(16:1e_18:2)+HCOO	1.0534	0.8825
1_PC(16:1e_20:4)+HCOO	1.0365	0.9196
1_PC(16:1e_22:6)+HCOO	0.9666	1.0736
1_PC(17:0_18:1)+HCOO	1.1400	0.6921
1_PC(17:0_18:2)+HCOO	1.0245	0.7549
1_PC(17:0_20:3)+HCOO	0.9054	1.2081
1_PC(17:0_20:4)+HCOO	1.0472	0.8962
1_PC(17:0_22:6)+HCOO	1.1192	0.5230
1_PC(17:1_16:0)+HCOO	1.0983	0.7838
1_PC(17:1_18:2)+HCOO	1.0216	0.7623
1_PC(18:0_16:0)+HCOO	1.0057	0.9874
1_PC(18:0_18:1)+H	1.1539	0.6614
1_ PC(18:0_18:1)+HCOO	1.0583	0.8718
1_PC(18:0_18:2)+HCOO	1.0069	0.9849
1_PC(18:0_20:2)+HCOO	0.9777	1.0490
1_PC(18:0_20:3)+HCOO	1.0290	0.9362
1_PC(18:0_20:4)+HCOO	1.0827	0.8181
1_PC(18:0_22:4)+HCOO	0.9089	1.2003
1_PC(18:0_22:5)+HCOO	1.0104	0.9771
1_PC(18:0_22:6)+HCOO	0.9971	1.0063
1_PC(18:0e_18:2)+HCOO	1.0188	0.9586
1_PC(18:0e_20:4)+HCOO	1.0283	0.9376
1_PC(18:0e_22:6)+HCOO	1.1029	0.7735
1_ PC(18:1_18:1)+HCOO	0.9501	1.1097
1_PC(18:1_18:2)+HCOO	1.1884	0.5856
1_PC(18:1_20:4)+HCOO	1.0553	0.8783
1_PC(18:1_22:6)+HCOO	1.0263	0.9422
1_PC(18:1e_16:0)+HCOO	0.9691	1.0680
1_PC(18:1e_18:2)+HCOO	1.0133	0.9707
1_PC(18:1e_20:4)+HCOO	0.7788	1.9583
1_PC(18:1e_22:6)+HCOO	0.7923	1.5452
1_PC(18:2_18:2)+H	1.2007	0.5585
1_PC(18:2_18:2)+HCOO	1.1269	0.7209
1_PC(18:2_20:4)+HCOO	1.0701	0.8457
1_PC(18:2_22:6)+HCOO	1.0309	0.9321
1_PC(18:2e_20:4)+HCOO	1.0750	0.8350
1_PC(19:0_18:2)+HCOO	0.5400	2.0733
1_PC(20:0e_20:4)+HCOO	1.1138	0.7497
1_PC(20:1e_20:4)+HCOO	1.0855	0.7557
1_PC(20:2e_20:4)+HCOO	1.0675	0.8201
1_PC(28:0)+H	1.3619	0.2039
1_PC(30:0)+H	1.2292	0.4957
1_PC(30:1)+H	1.2493	0.4515
1_PC(31:0)+H	1.2562	0.4364
1_PC(32:0e)+H	1.2220	0.5115
1_PC(32:0)+H	1.2184	0.5196
1_PC(32:1)+H	1.0024	0.9947
1_PC(32:2e)+H	1.0865	0.8098
1_PC(33:0)+H	1.2098	0.5384
1_PC(33:1)+H	1.1690	0.6281
1_PC(33:2)+H	1.3105	0.3168
1_PC(34:0e)+H	1.3053	0.3283
1_PC(34:0)+H	1.1751	0.6147
1_PC(34:1e)+H	1.0814	0.8210
1_PC(34:1)+H	0.9351	1.1428
1_PC(34:2e)+H	1.1348	0.7033
1_PC(34:2)+H	0.9659	1.0750
1_PC(34:3e)+H	0.9782	1.0480
1_PC(34:3)+H	1.1794	0.6054
1_PC(34:4)+H	1.2917	0.3582
1_PC(35:1)+H	1.1843	0.5946
1_PC(35:2)+H	1.1729	0.6196
1_PC(35:3e)+H	1.2332	0.4869
1_PC(35:3)+H	1.0892	0.8038
1_PC(35:4)+H	1.3116	0.3144
1_PC(35:5)+H	1.2641	0.4189
1_PC(36:1e)+H	1.3000	0.3401
1_PC(36:1)+H	1.0417	0.9082
1_PC(36:2e)+H	1.2744	0.3964
1_PC(36:2)+H	0.9342	1.1448
1_PC(36:3e)+H	1.1174	0.7417
1_PC(36:4e)+H	1.1978	0.5648
1_PC(36:4)+H	0.8781	1.2980
1_PC(36:5e)+H	1.1240	0.7271
1_PC(36:5)+H	1.1926	0.5762
1_PC(36:6e)+H	1.1853	0.5923
1_PC(37:1)+H	1.2136	0.5302
1_PC(37:2)+H	1.1028	0.7739
1_PC(37:3)+H	1.0865	0.8098
1_PC(37:4e)+H	1.1968	0.5671
1_PC(37:4)+H	1.0039	0.9914
1_PC(37:5e)+H	1.0873	0.8080
1_PC(37:5)+H	1.1004	0.7791
1_PC(37:6)+H	1.2483	0.4538
1_PC(38:2e)+H	1.2308	0.4923
1_PC(38:2)+H	1.1436	0.6840
1_PC(38:3e)+H	1.2535	0.4423
1_PC(38:3)+H	1.1306	0.7126
1_PC(38:4e)+H	1.1983	0.5636
1_PC(38:4)+H	1.0532	0.8831
1_PC(38:5e)+H	1.1484	0.6735
1_PC(38:5)+H	1.1513	0.6671
1_PC(38:6e)+H	1.0523	0.8849
1_PC(38:6)+H	1.0192	0.9579
1_PC(38:7e)+H	1.1646	0.6378
1_PC(38:8)+H	1.1690	0.6281
1_PC(39:4)+H	1.1884	0.5854
1_PC(39:6)+H	1.1805	0.6029
1_PC(40:2e)+H	1.1258	0.7232
1_PC(40:3e)+H	1.3106	0.3166
1_PC(40:4e)+H	1.3045	0.3302
1_PC(40:4)+H	1.1919	0.5779
1_PC(40:5e)+H	1.1823	0.5988
1_PC(40:5)+H	1.1083	0.7617
1_PC(40:6e)+H	1.0886	0.8050
1_PC(40:6)+H	1.2131	0.5311
1_PC(40:7e)+H	1.1241	0.7270
1_PC(40:7)+H	1.0081	0.9822
1_PC(40:8e)+H	1.2308	0.4923
1_PC(40:8)+H	0.9852	1.0326
1_PC(40:9)+H	1.1614	0.6448
1_PC(42:10)+H	1.1614	0.6448
1_PC(42:2)+H	1.1878	0.4633
1_PC(42:3e)+H	1.3020	0.3355
1_PC(42:4e)+H	1.3252	0.2845
1_PC(42:4)+H	1.1677	0.6310
1_PC(42:5e)+H	1.3383	0.2557
1_PC(42:5e)+HCOO	1.0643	0.8162
1_PC(42:5)+H	1.1031	0.7731
1_PC(42:6e)+H	1.1739	0.6175
1_PC(42:6)+H	1.1276	0.7192
1_PC(42:7e)+H	1.1587	0.6509
1_PC(42:8)+H	1.1771	0.6103
1_PC(42:9)+H	1.1821	0.5993
1_PC(44:4e)+H	1.2675	0.4114
1_PC(44:5e)+H	1.3196	0.2970
1_PC(44:5e)+HCOO	1.1603	0.6474
1_PC(44:6e)+H	1.2844	0.3743
1_PC(44:6e)+HCOO	1.0799	0.6003
1_PE(16:0_18:1)+H	1.2000	0.5599
1_PE(16:0_18:1)-H	1.1414	0.6890
1_PE(16:0_18:2)-H	1.0934	0.7946
1_PE(16:0_20:4)+H	1.1720	0.6216
1_PE(16:0_20:4)-H	1.0767	0.8314
1_PE(16:0_22:5)-H	1.1437	0.6838
1_PE(16:0_22:6)-H	1.1493	0.6714
1_PE(16:0p_18:1)+H	1.0639	0.8595
1_PE(16:0p_20:4)+H	1.0967	0.7872
1_PE(16:0p_22:4)+H	1.0766	0.8314
1_PE(16:0p_22:5)+H	0.9853	1.0323
1_PE(16:0p_22:6)+H	1.0585	0.8713
1_PE(16:1e_18:1)-H	0.9141	1.1890
1_PE(16:1e_18:2)-H	1.0415	0.9087
1_PE(16:1e_20:4)-H	0.9933	1.0148
1_PE(16:1e_22:6)-H	0.9691	1.0680
1_PE(18:0_18:1)-H	1.1242	0.7267
1_PE(18:0_18:2)+H	1.1738	0.6176
1_PE(18:0_18:2)-H	1.0733	0.8388
1_PE(18:0_20:3)-H	1.0374	0.9178
1_PE(18:0_20:4)+H	1.1787	0.6069
1_PE(18:0_20:4)-H	0.9869	1.0289
1_PE(18:0_22:4)-H	1.0406	0.9107
1_PE(18:0_22:5)-H	1.0828	0.8179
1_PE(18:0_22:6)+H	1.0918	0.7980
1_PE(18:0_22:6)-H	1.0799	0.8242
1_PE(18:0e_20:4)-H	1.0270	0.9406
1_PE(18:0p_18:2)+H	0.9588	1.0907
1_PE(18:0p_20:4)+H	1.0168	0.9631
1_PE(18:0p_22:5)+H	1.0667	0.8533
1_PE(18:0p_22:6)+H	1.0838	0.8156
1_PE(18:1_18:2)+H	1.1723	0.6210
1_PE(18:1_18:2)-H	1.1121	0.7534
1_PE(18:1_20:4)-H	1.1105	0.7569
1_PE(18:1_22:6)-H	0.9472	1.1162
1_PE(18:1e_18:1)-H	0.9780	1.0485
1_PE(18:1e_18:2)-H	1.0267	0.9414
1_PE(18:1e_20:4)-H	1.0029	0.9936
1_PE(18:1e_22:5)-H	1.0365	0.9198
1_PE(18:1e_22:6)-H	1.0260	0.9428
1_PE(18:1p_18:2)+H	0.9983	1.0038
1_PE(18:1p_20:4)+H	1.1541	0.6609
1_PE(18:1p_22:6)+H	1.0922	0.7972
1_PE(18:2_18:2)-H	1.1370	0.6985
1_PE(18:2e_18:2)-H	0.9974	1.0058
1_PE(18:2e_20:4)-H	0.9745	1.0560
1_PE(18:2e_22:6)-H	1.0316	0.9305
1_PE(19:0_18:2)+H	0.9821	1.0393
1_PE(40:6e)-H	1.0272	0.9402
1_PG(18:3e)+H	0.9709	1.0640
1_PI(16:0_18:1)-H	1.0202	0.9555
1_PI(16:0_18:2)-H	1.0091	0.9800
1_PI(18:0_18:1)-H	0.9345	1.2226
1_PI(18:0_18:2)-H	1.0327	0.9280
1_PI(18:0_20:3)-H	0.9371	1.1383
1_PI(18:0_20:4)-H	1.0750	0.8350
1_PI(18:0_22:6)-H	1.1511	0.6642
1_PI(18:1_18:2)-H	1.0049	0.9892
1_PI(18:1_20:4)-H	1.0297	0.9346
1_SM(d18:1_22:1)+H	1.1884	0.5856
1_SM(d18:1_24:1)+H	1.1888	0.5846
1_SM(d18:1_24:2)+H	1.0373	0.9180
1_SM(d18:1_24:3)+H	1.1724	0.6206
1_SM(d30:1)+H	1.2744	0.3964
1_SM(d32:0)+H	1.2768	0.3910
1_SM(d32:1)+H	0.9707	1.0644
1_SM(d32:1)+HCOO	0.9491	1.1271
1_SM(d32:2)+HCOO	0.6683	2.0615
1_SM(d33:1)+H	1.4169	0.0827
1_SM(d33:1)+HCOO	1.0113	0.9725
1_SM(d33:2)+H	1.2132	0.5310
1_SM(d34:0)+H	1.0920	0.7975
1_SM(d34:0)+HCOO	0.9331	1.1472
1_SM(d34:1)+H	1.3304	0.2732
1_SM(d34:1)+HCOO	0.9960	1.0089
1_SM(d34:2)+H	1.1619	0.6439
1_SM(d34:2)+HCOO	1.0209	0.7698
1_SM(d35:1)+H	1.1075	0.7634
1_SM(d35:1)+HCOO	1.0320	0.9295
1_SM(d35:2)+H	1.1092	0.7598
1_SM(d36:0)+H	1.0849	0.8132
1_SM(d36:0)+HCOO	0.8591	1.3099
1_SM(d36:1)+H	1.2195	0.5170
1_SM(d36:1)+HCOO	1.1099	0.7583
1_SM(d36:2)+H	1.0440	0.9033
1_SM(d36:2)+HCOO	1.0284	0.9305
1_SM(d36:3)+H	1.0932	0.7950
1_SM(d36:3)+HCOO	1.0064	0.9859
1_SM(d37:1)+H	1.1764	0.6119
1_SM(d38:1)+H	1.1922	0.5772
1_SM(d38:1)+HCOO	0.9234	1.1685
1_SM(d38:2)+H	1.1870	0.5887
1_SM(d38:2)+HCOO	0.9380	1.1364
1_SM(d38:3)+H	1.0193	0.9576
1_SM(d39:1)+H	1.4218	0.1143
1_SM(d39:1)+HCOO	1.0558	0.7630
1_SM(d39:2)+H	1.2617	0.4242
1_SM(d39:2)+HCOO	0.9905	1.0221
1_SM(d40:1)+H	1.3613	0.2051
1_SM(d40:1)+HCOO	0.9249	1.1652
1_SM(d40:2)+HCOO	0.9291	1.1560
1_SM(d40:3)+H	1.1019	0.7757
1_SM(d40:3)+HCOO	0.6697	2.4314
1_SM(d40:4)+H	1.0277	0.9391
1_SM(d40:5)+H	1.2862	0.3202
1_SM(d41:1)+H	1.3058	0.3272
1_SM(d41:1)+HCOO	0.9430	1.1254
1_SM(d41:2)+HCOO	1.0326	0.9238
1_SM(d41:3)+H	1.0005	0.9990
1_SM(d42:1)+H	1.2750	0.3951
1_SM(d42:1)+HCOO	0.9846	1.0340
1_SM(d42:2)+H	1.1136	0.7501
1_SM(d42:2)+HCOO	1.0338	0.9257
1_SM(d42:3)+H	0.9281	1.1583
1_SM(d42:3)+HCOO	0.9330	1.1475
1_SM(d42:4)+H	1.0170	0.9626
1_SM(d42:4)+HCOO	0.8895	1.3095
1_SM(d42:5)+H	1.0845	0.8141
1_SM(d42:5)+HCOO	0.7982	1.4440
1_SM(d42:6)+H	1.0582	0.8719
1_SM(d42:7)+H	1.0207	0.9545
1_SM(d42:8)+H	1.0400	0.9120
1_SM(d43:1)+H	1.2240	0.5072
1_SM(d43:2)+H	1.1876	0.5874
1_SM(d43:2)+HCOO	1.0472	0.8952
1_SM(d43:3)+H	1.1530	0.6633
1_SM(d44:3)+H	1.1981	0.5642
1_SM(d44:4)+H	1.2077	0.5431
1_SM(d44:6)+H	1.1327	0.7082
1_SM(t34:0)+H	1.2477	0.4550
1_SM(t34:1)+H	1.0934	0.7945
1_TG(10:0_18:2_18:2)+NH4	1.2984	0.3434
1_TG(12:0_18:2_18:3)+NH4	1.2612	0.4253
1_TG(14:0_18:2_18:3)+NH4	1.1721	0.6213
1_TG(15:0_14:0_16:0)+NH4	0.9690	1.0682
1_TG(15:0_16:0_16:0)+NH4	1.0145	0.9681
1_TG(15:0_16:0_18:1)+NH4	1.1259	0.7229
1_TG(15:0_18:2_20:4)+NH4	0.9942	1.0128
1_TG(16:0_10:1_18:2)+NH4	1.3186	0.2990
1_TG(16:0_14:0_14:0)+NH4	1.1126	0.7522
1_TG(16:0_14:0_16:1)+NH4	1.1306	0.7126
1_TG(16:0_14:0_20:4)+NH4	1.1791	0.6060
1_TG(16:0_16:0_16:0)+NH4	1.1463	0.6781
1_TG(16:0_16:0_18:1)+NH4	0.8293	1.4173
1_TG(16:0_16:0_18:2)+NH4	0.7963	1.4480
1_TG(16:0_16:1_18:1)+NH4	1.0542	0.8807
1_TG(16:0_16:1_18:2)+NH4	1.0506	0.8886
1_TG(16:0_17:0_18:1)+NH4	1.1363	0.7001
1_TG(16:0_17:1_18:1)+NH4	1.1182	0.7399
1_TG(16:0_18:1_16:0)+NH4	1.1003	0.7793
1_TG(16:0_18:1_18:1)+NH4	0.8802	1.2636
1_TG(16:0_18:1_18:2)+NH4	0.8995	1.2210
1_TG(16:0_18:1_22:6)+NH4	0.6584	1.7515
1_TG(16:0_18:2_18:2)+NH4	0.9759	1.0529
1_TG(16:0_18:2_20:4)+NH4	1.0178	0.9608
1_TG(16:0_6:0_18:1)+NH4	1.3030	0.3335
1_TG(16:1_18:1_18:2)+NH4	1.0945	0.7922
1_TG(16:1_18:2_18:3)+NH4	1.0064	0.9860
1_TG(16:1_18:3_18:3)+NH4	0.8945	1.2321
1_TG(17:0_18:1_20:4)+NH4	1.1001	0.7798
1_TG(18:0_16:0_16:0)+NH4	1.1317	0.7103
1_TG(18:0_16:0_18:1)+NH4	1.1480	0.6744
1_TG(18:0_18:0_18:0)+NH4	0.9734	1.0585
1_TG(18:0_18:1_18:1)+NH4	1.1087	0.7608
1_TG(18:0_18:1_22:4)+NH4	1.0521	0.8853
1_TG(18:0_18:1_22:6)+NH4	1.0665	0.8536
1_TG(18:0_20:4_22:5)+NH4	1.0243	0.9465
1_TG(18:0_20:4_22:6)+NH4	1.1274	0.7198
1_TG(18:0_6:0_12:0)+NH4	0.9769	1.0509
1_TG(18:1_18:1_16:0)+NH4	1.0456	0.8997
1_TG(18:1_18:1_18:1)+NH4	0.7943	1.5027
1_TG(18:1_18:1_18:2)+NH4	0.9995	1.0011
1_TG(18:1_18:2_18:2)+NH4	0.9772	1.0502
1_TG(18:3_18:2_18:3)+NH4	1.1013	0.7772
1_TG(19:1_18:1_18:1)+NH4	1.1244	0.7264
1_TG(19:1_18:1_18:2)+NH4	1.0448	0.9015
1_TG(4:0_16:0_18:1)+NH4	1.1965	0.5676
1_TG(44:4)+NH4	0.8636	1.3001
1_TG(44:6e)+NH4	0.9740	1.0572
1_TG(8:0_18:2_18:2)+NH4	1.2916	0.3585
2_Cer(d17:0_26:1)+HCOO	1.0618	0.8641
2_Cer(d18:0_20:1)+HCOO	1.0389	0.9143
2_Cer(d18:0_24:0)+H	1.1569	0.6548
2_Cer(d18:1_16:0)+HCOO	0.9979	1.0047
2_Cer(d18:1_18:0)+H	1.2099	0.4870
2_Cer(d18:1_20:0)+H	1.2749	0.3951
2_Cer(d18:1_22:0)+H	1.2652	0.4166
2_Cer(d18:1_22:0)+HCOO	1.0400	0.9120
2_Cer(d18:1_23:0)+H	1.2686	0.4091
2_Cer(d18:1_23:0)+HCOO	1.0545	0.8801
2_Cer(d18:1_24:0)+HCOO	1.0382	0.9159
2_Cer(d18:1_24:1)+H	1.1386	0.6950
2_Cer(d18:1_24:1)+HCOO	1.0165	0.9636
2_Cer(d18:2_22:0)+H	1.0841	0.8150
2_Cer(d18:2_22:0)+HCOO	1.0704	0.8450
2_Cer(d18:2_23:0)+H	1.1008	0.7782
2_Cer(d18:2_24:1)+H	1.2278	0.4988
2_Cer(d42:0)+HCOO	1.0398	0.9124
2_Cer(d42:1)+HCOO	0.9938	1.0136
2_Cer(m18:0_24:1)+H	1.2300	0.4941
2_ChE(18:2)+NH4	1.1085	0.7612
2_ChE(20:4)+NH4	1.0388	0.9147
2_ChE(22:5)+NH4	1.1867	0.5893
2_CL(70:2)-2H	1.1112	0.7553
2_CL(74:2)-2H	1.0258	0.9432
2_CL(74:3)-2H	1.0035	0.9924
2_CL(74:4)-2H	1.1408	0.6903
2_CL(74:6)-2H	1.1407	0.6904
2_CL(74:7)-2H	1.0779	0.8287
2_CL(78:3)-2H	1.0684	0.8496
2_CL(78:6)-2H	1.1113	0.7551
2_CL(82:10)-2H	1.1189	0.7384
2_CL(82:13)-2H	1.1319	0.7097
2_CL(82:9)-2H	1.1331	0.7205
2_DG(16:0_18:1)+NH4	1.2264	0.5020
2_DG(16:0_18:2)+NH4	0.8468	1.3371
2_DG(18:0_18:0)+NH4	1.2343	0.4845
2_DG(18:0_18:1)+NH4	1.1374	0.6977
2_DG(18:0)+NH4	0.8948	1.2314
2_DG(18:1_18:1)+NH4	1.0915	0.7987
2_DG(18:1_18:2)+NH4	1.2709	0.4040
2_DG(18:1_20:4)+NH4	1.2721	0.4014
2_DG(18:2_18:2)+NH4	1.2302	0.4935
2_DG(18:2_20:4)+NH4	1.3189	0.3223
2_DG(24:1e)+NH4	0.9813	1.0411
2_DG(38:4)+NH4	1.2982	0.3738
2_Hex1Cer(d18:1_16:0)+H	1.1676	0.0779
2_Hex1Cer(d18:1_22:0)+H	1.2749	0.3952
2_Hex1Cer(d18:1_23:0)+H	1.2554	0.4381
2_Hex1Cer(d18:1_24:1)+H	1.0621	0.8633
2_Hex1Cer(d18:1_24:1)+HCOO	1.0224	0.9507
2_Hex1Cer(d42:1+O)+H	1.0125	0.9724
2_Hex2Cer(d18:1_16:0)+H	1.2849	0.3733
2_Hex2Cer(d18:1_24:1)+H	1.2005	0.5590
2_Hex2Cer(d18:2_16:0)+H	1.2396	0.4729
2_LPC(14:0)+H	1.0586	0.8712
2_LPC(14:0)+HCOO	1.1162	0.7443
2_LPC(15:0)+H	1.0696	0.8468
2_LPC(15:0)+HCOO	1.0092	0.9797
2_LPC(16:0e)+HCOO	0.9797	1.0447
2_LPC(16:0)+H	0.9578	1.0928
2_LPC(16:0)+HCOO	0.9744	1.0562
2_LPC(16:1e)+H	0.9367	1.1392
2_LPC(16:1)+H	1.0205	0.9569
2_LPC(16:1)+HCOO	1.0211	0.9535
2_LPC(17:0)+H	1.1769	0.6109
2_LPC(17:0)+HCOO	1.0427	0.9061
2_LPC(18:0)+H	0.9442	1.1228
2_LPC(18:0)+HCOO	1.0363	0.9202
2_LPC(18:1e)+H	0.9263	1.1621
2_LPC(18:1)+H	1.0060	0.9868
2_LPC(18:1)+HCOO	1.0721	0.8413
2_LPC(18:2)+H	0.8378	1.3569
2_LPC(18:2)+HCOO	1.0614	0.8650
2_LPC(20:0)+H	0.9366	1.1394
2_LPC(20:1)+H	0.9656	1.0758
2_LPC(20:3)+H	0.9140	1.1891
2_LPC(20:3)+HCOO	1.0002	0.9995
2_LPC(20:4)+H	0.8718	1.2819
2_LPC(20:4)+HCOO	1.0160	0.9649
2_LPC(20:5)+H	1.1128	0.7518
2_LPC(22:5)+H	1.0156	0.9656
2_LPE(16:0)-H	1.0910	0.7999
2_LPE(18:0)-H	1.0493	0.8916
2_LPE(18:1)-H	1.0877	0.8072
2_PC(14:0_18:2)+HCOO	1.0636	0.8444
2_PC(14:0_20:4)+HCOO	1.1315	0.7107
2_PC(15:0_16:0)+HCOO	1.0361	0.9206
2_PC(15:0_18:1)+HCOO	1.1150	0.7188
2_PC(15:0_18:2)+H	1.1315	0.7107
2_PC(15:0_18:2)+HCOO	1.1262	0.6915
2_PC(15:0_20:4)+HCOO	1.1026	0.7744
2_PC(15:0_22:6)+HCOO	1.0602	0.6185
2_PC(16:0_14:0)+HCOO	0.7437	1.4869
2_PC(16:0_16:0)+H	1.1450	0.6811
2_PC(16:0_16:0)+HCOO	0.9989	1.0025
2_PC(16:0_16:1)+HCOO	1.0707	0.8056
2_PC(16:0_18:1)+H	1.2091	0.5399
2_PC(16:0_18:1)+HCOO	1.0314	0.9309
2_PC(16:0_18:2)+H	1.1586	0.6511
2_PC(16:0_18:2)+HCOO	1.1119	0.7539
2_PC(16:0_20:3)+H	0.9062	1.2064
2_PC(16:0_20:3)+HCOO	1.0293	0.9356
2_PC(16:0_20:4)+HCOO	1.1174	0.7416
2_PC(16:0_20:5)+HCOO	1.0794	0.8253
2_PC(16:0_22:4)+HCOO	1.0407	0.9104
2_PC(16:0_22:5)+HCOO	1.0240	0.9473
2_PC(16:0_22:6)+HCOO	1.0384	0.9155
2_PC(16:0e_16:0)+HCOO	1.0021	0.9945
2_PC(16:0e_18:1)+HCOO	1.0426	0.9063
2_PC(16:0e_18:2)+HCOO	0.9261	1.1625
2_PC(16:0e_20:3)+HCOO	1.0144	0.9682
2_PC(16:0e_20:4)+HCOO	1.0745	0.8362
2_PC(16:1_18:2)+HCOO	1.0422	0.9072
2_PC(16:1e_16:0)+HCOO	1.0572	0.8743
2_PC(16:1e_18:1)+H	0.8758	1.2732
2_PC(16:1e_18:1)+HCOO	0.9672	1.0722
2_PC(16:1e_18:2)+HCOO	1.0653	0.8563
2_PC(16:1e_20:4)+HCOO	0.9179	1.1807
2_PC(16:1e_22:6)+HCOO	0.7822	1.4792
2_PC(17:0_18:1)+HCOO	1.0529	0.8835
2_PC(17:0_18:2)+HCOO	0.9232	1.2611
2_PC(17:0_20:3)+HCOO	1.0035	0.9924
2_PC(17:0_20:4)+HCOO	1.0187	0.9588
2_PC(17:0_22:6)+HCOO	1.1082	0.7620
2_PC(17:1_16:0)+HCOO	1.1126	0.7523
2_PC(17:1_18:2)+HCOO	0.9925	1.0165
2_PC(18:0_16:0)+HCOO	0.9934	1.0146
2_PC(18:0_18:1)+H	1.0691	0.8481
2_ PC(18:0_18:1)+HCOO	1.0767	0.8312
2_PC(18:0_18:2)+HCOO	1.1138	0.7496
2_PC(18:0_20:2)+HCOO	1.0402	0.9116
2_PC(18:0_20:3)+HCOO	1.0547	0.8796
2_PC(18:0_20:4)+HCOO	0.9509	1.1081
2_PC(18:0_22:4)+HCOO	0.9756	1.0537
2_PC(18:0_22:5)+HCOO	0.9981	1.0043
2_PC(18:0_22:6)+HCOO	1.0339	0.9254
2_PC(18:0e_18:2)+HCOO	1.0298	0.9345
2_PC(18:0e_20:4)+HCOO	1.1283	0.7178
2_PC(18:0e_22:6)+HCOO	0.9950	1.0111
2_PC(18:1_18:1)+HCOO	1.0784	0.8274
2_PC(18:1_18:2)+HCOO	1.0281	0.9382
2_PC(18:1_20:4)+HCOO	1.0814	0.8209
2_PC(18:1_22:6)+HCOO	1.0212	0.9533
2_PC(18:1e_16:0)+HCOO	1.0093	0.9795
2_PC(18:1e_18:2)+HCOO	1.0599	0.8682
2_PC(18:1e_20:4)+HCOO	1.0216	0.9525
2_PC(18:1e_22:6)+HCOO	1.0385	0.9154
2_PC(18:2_18:2)+H	1.0550	0.8790
2_PC(18:2_18:2)+HCOO	1.1124	0.7527
2_PC(18:2_20:4)+HCOO	1.0885	0.8053
2_PC(18:2_22:6)+HCOO	1.0645	0.8581
2_PC(18:2e_20:4)+HCOO	0.9434	1.1246
2_PC(19:0_18:2)+HCOO	1.0001	0.9995
2_PC(20:0e_20:4)+HCOO	1.0028	0.9939
2_PC(20:1e_20:4)+HCOO	1.1023	0.7853
2_PC(20:2e_20:4)+HCOO	0.9489	1.1125
2_PC(28:0)+H	1.2561	0.4366
2_PC(30:0)+H	1.0782	0.8280
2_PC(30:1)+H	1.0846	0.8139
2_PC(31:0)+H	1.1955	0.5698
2_PC(32:0e)+H	1.0598	0.8685
2_PC(32:0)+H	1.1819	0.5999
2_PC(32:1)+H	0.9202	1.1755
2_PC(32:2e)+H	0.9951	1.0107
2_PC(33:0)+H	1.1894	0.5833
2_PC(33:1)+H	1.0064	0.9859
2_PC(33:2)+H	0.9828	1.0378
2_PC(34:0e)+H	1.1129	0.7517
2_PC(34:0)+H	0.9964	1.0080
2_PC(34:1e)+H	1.0579	0.8726
2_PC(34:1)+H	1.1574	0.6537
2_PC(34:2e)+H	0.9787	1.0469
2_PC(34:2)+H	1.0376	0.9173
2_PC(34:3e)+H	1.0002	0.9996
2_PC(34:3)+H	1.0363	0.9201
2_PC(34:4)+H	1.2758	0.3933
2_PC(35:1)+H	1.1420	0.6876
2_PC(35:2)+H	0.8675	1.2916
2_PC(35:3e)+H	1.1466	0.6776
2_PC(35:3)+H	1.2058	0.5472
2_PC(35:4)+H	1.0339	0.9254
2_PC(35:5)+H	1.2283	0.4978
2_PC(36:1e)+H	1.1446	0.6819
2_PC(36:1)+H	0.9954	1.0102
2_PC(36:2e)+H	1.2097	0.5387
2_PC(36:2)+H	0.9676	1.0714
2_PC(36:3e)+H	1.0910	0.7999
2_PC(36:4e)+H	1.1035	0.7723
2_PC(36:4)+H	0.9640	1.0881
2_PC(36:5e)+H	1.1128	0.7519
2_PC(36:5)+H	1.2314	0.4909
2_PC(36:6e)+H	1.0643	0.8584
2_PC(37:1)+H	0.9971	1.0063
2_PC(37:2)+H	1.1795	0.6050
2_PC(37:3)+H	1.0752	0.8345
2_PC(37:4e)+H	1.1829	0.5977
2_PC(37:4)+H	1.1599	0.6483
2_PC(37:5e)+H	0.9954	1.0100
2_PC(37:5)+H	1.1452	0.6450
2_PC(37:6)+H	1.1410	0.6898
2_PC(38:2e)+H	1.1606	0.6467
2_PC(38:2)+H	1.1206	0.7348
2_PC(38:3e)+H	1.0551	0.8788
2_PC(38:3)+H	1.1399	0.6923
2_PC(38:4e)+H	1.1159	0.7451
2_PC(38:4)+H	0.9368	1.1389
2_PC(38:5e)+H	0.9175	1.1814
2_PC(38:5)+H	1.0560	0.8768
2_PC(38:6e)+H	1.0940	0.7932
2_PC(38:6)+H	1.0173	0.9620
2_PC(38:7e)+H	1.1161	0.7446
2_PC(38:8)+H	1.1162	0.7444
2_PC(39:4)+H	1.2289	0.4964
2_PC(39:6)+H	1.1546	0.6598
2_PC(40:2e)+H	1.2575	0.4336
2_PC(40:3e)+H	1.1246	0.7259
2_PC(40:4e)+H	1.1208	0.7342
2_PC(40:4)+H	1.0086	0.9810
2_PC(40:5e)+H	1.2912	0.3593
2_PC(40:5)+H	1.1570	0.6546
2_PC(40:6e)+H	0.9496	1.1110
2_PC(40:6)+H	1.1796	0.6049
2_PC(40:7e)+H	1.1280	0.7185
2_PC(40:7)+H	1.2140	0.5291
2_PC(40:8e)+H	1.1199	0.7363
2_PC(40:8)+H	1.0227	0.9500
2_PC(40:9)+H	1.1422	0.6871
2_PC(42:10)+H	0.9152	1.1866
2_PC(42:2)+H	1.2442	0.4627
2_PC(42:3e)+H	1.2785	0.3874
2_PC(42:4e)+H	1.1572	0.6541
2_PC(42:4)+H	1.0477	0.8999
2_PC(42:5e)+H	1.0691	0.8480
2_PC(42:5e)+HCOO	0.9967	1.0073
2_PC(42:5)+H	1.0675	0.8515
2_PC(42:6e)+H	1.0537	0.8819
2_PC(42:6)+H	1.1248	0.7254
2_PC(42:7e)+H	1.1346	0.7039
2_PC(42:8)+H	1.1813	0.6011
2_PC(42:9)+H	1.2275	0.4995
2_PC(44:4e)+H	1.2910	0.3597
2_PC(44:5e)+H	1.3395	0.2531
2_PC(44:5e)+HCOO	1.0133	0.9706
2_PC(44:6e)+H	1.0963	0.7882
2_PC(44:6e)+HCOO	1.0454	0.8456
2_PE(16:0_18:1)+H	1.3238	0.2875
2_PE(16:0_18:1)-H	1.0913	0.7991
2_PE(16:0_18:2)-H	1.1208	0.7343
2_PE(16:0_20:4)+H	1.3046	0.3300
2_PE(16:0_20:4)-H	1.1386	0.6952
2_PE(16:0_22:5)-H	1.1447	0.6817
2_PE(16:0_22:6)-H	1.1437	0.6839
2_PE(16:0p_18:1)+H	1.1270	0.7205
2_PE(16:0p_20:4)+H	1.1714	0.6229
2_PE(16:0p_22:4)+H	0.9824	1.0387
2_PE(16:0p_22:5)+H	1.1917	0.5783
2_PE(16:0p_22:6)+H	1.2079	0.5427
2_PE(16:1e_18:1)-H	0.9612	1.0854
2_PE(16:1e_18:2)-H	0.9764	1.0519
2_PE(16:1e_20:4)-H	0.9998	1.0005
2_PE(16:1e_22:6)-H	0.9940	1.0133
2_PE(18:0_18:1)-H	1.1022	0.7751
2_PE(18:0_18:2)+H	1.2455	0.4599
2_PE(18:0_18:2)-H	1.1029	0.7736
2_PE(18:0_20:3)-H	1.0587	0.8708
2_PE(18:0_20:4)+H	1.2844	0.3744
2_PE(18:0_20:4)-H	1.1266	0.7215
2_PE(18:0_22:4)-H	1.2099	0.5382
2_PE(18:0_22:5)-H	1.1404	0.7052
2_PE(18:0_22:6)+H	1.2824	0.3787
2_PE(18:0_22:6)-H	1.1149	0.7472
2_PE(18:0e_20:4)-H	1.0269	0.9408
2_PE(18:0p_18:2)+H	1.0612	0.8654
2_PE(18:0p_20:4)+H	1.1729	0.6197
2_PE(18:0p_22:5)+H	1.1019	0.7758
2_PE(18:0p_22:6)+H	1.1675	0.6316
2_PE(18:1_18:2)+H	1.1653	0.6362
2_PE(18:1_18:2)-H	1.0697	0.8467
2_PE(18:1_20:4)-H	1.1179	0.7406
2_PE(18:1_22:6)-H	1.0869	0.8088
2_PE(18:1e_18:1)-H	0.9654	1.0761
2_PE(18:1e_18:2)-H	1.0070	0.9847
2_PE(18:1e_20:4)-H	0.9898	1.0225
2_PE(18:1e_22:5)-H	0.9985	1.0033
2_PE(18:1e_22:6)-H	1.0137	0.9699
2_PE(18:1p_18:2)+H	1.1040	0.7712
2_PE(18:1p_20:4)+H	1.1844	0.5944
2_PE(18:1p_22:6)+H	1.1798	0.6044
2_PE(18:2_18:2)-H	1.1727	0.6200
2_PE(18:2e_18:2)-H	0.9854	1.0321
2_PE(18:2e_20:4)-H	0.9725	1.0605
2_PE(18:2e_22:6)-H	0.9905	1.0209
2_PE(19:0_18:2)+H	1.2698	0.4065
2_PE(40:6e)-H	1.0056	0.9878
2_PG(18:3e)+H	1.1423	0.6869
2_PI(16:0_18:1)-H	1.0044	0.9903
2_PI(16:0_18:2)-H	1.0051	0.9888
2_PI(18:0_18:1)-H	1.0416	0.9084
2_PI(18:0_18:2)-H	0.9935	1.0144
2_PI(18:0_20:3)-H	0.9938	1.0135
2_PI(18:0_20:4)-H	0.9916	1.0185
2_PI(18:0_22:6)-H	0.9935	1.0143
2_PI(18:1_18:2)-H	1.0282	0.9379
2_PI(18:1_20:4)-H	1.1141	0.7489
2_SM(d18:1_22:1)+H	1.0880	0.8065
2_SM(d18:1_24:1)+H	1.0069	0.9847
2_SM(d18:1_24:2)+H	0.9052	1.2085
2_SM(d18:1_24:3)+H	0.9803	1.0433
2_SM(d30:1)+H	1.0386	0.9150
2_SM(d32:0)+H	0.9660	1.0747
2_SM(d32:1)+H	0.9721	1.0614
2_SM(d32:1)+HCOO	1.0184	0.9595
2_SM(d32:2)+HCOO	1.0372	0.9181
2_SM(d33:1)+H	1.2131	0.5311
2_SM(d33:1)+HCOO	1.0416	0.9085
2_SM(d33:2)+H	0.9474	1.1158
2_SM(d34:0)+H	0.8080	1.4225
2_SM(d34:0)+HCOO	0.9315	1.1508
2_SM(d34:1)+H	1.0908	0.8002
2_SM(d34:1)+HCOO	1.0017	0.9963
2_SM(d34:2)+H	0.9218	1.1720
2_SM(d34:2)+HCOO	0.9530	1.1033
2_SM(d35:1)+H	1.1371	0.6985
2_SM(d35:1)+HCOO	1.0300	0.9340
2_SM(d35:2)+H	1.1098	0.7585
2_SM(d36:0)+H	0.8804	1.2632
2_SM(d36:0)+HCOO	0.7864	1.4698
2_SM(d36:1)+H	1.0889	0.8044
2_SM(d36:1)+HCOO	0.9730	1.0595
2_SM(d36:2)+H	0.8166	1.4035
2_SM(d36:2)+HCOO	0.9883	1.0256
2_SM(d36:3)+H	1.0606	0.8668
2_SM(d36:3)+HCOO	1.0092	0.9797
2_SM(d37:1)+H	1.2438	0.4636
2_SM(d38:1)+H	0.9277	1.1591
2_SM(d38:1)+HCOO	0.9592	1.0898
2_SM(d38:2)+H	1.0862	0.8103
2_SM(d38:2)+HCOO	1.0033	0.9927
2_SM(d38:3)+H	1.0071	0.9843
2_SM(d39:1)+H	1.2724	0.4007
2_SM(d39:1)+HCOO	1.0053	0.9861
2_SM(d39:2)+H	0.9769	1.0509
2_SM(d39:2)+HCOO	1.0018	0.9961
2_SM(d40:1)+H	1.1916	0.5784
2_SM(d40:1)+HCOO	1.0540	0.8813
2_SM(d40:2)+HCOO	0.9298	1.1544
2_SM(d40:3)+H	1.0775	0.8295
2_SM(d40:3)+HCOO	0.9886	1.0251
2_SM(d40:4)+H	1.0487	0.8928
2_SM(d40:5)+H	1.0357	0.9214
2_SM(d41:1)+H	0.9541	1.1010
2_SM(d41:1)+HCOO	0.9942	1.0127
2_SM(d41:2)+HCOO	0.9869	1.0288
2_SM(d41:3)+H	1.1380	0.6963
2_SM(d42:1)+H	0.9914	1.0189
2_SM(d42:1)+HCOO	0.9929	1.0156
2_SM(d42:2)+H	1.0910	0.7998
2_SM(d42:2)+HCOO	1.1313	0.7111
2_SM(d42:3)+H	1.0906	0.8006
2_SM(d42:3)+HCOO	1.0680	0.8505
2_SM(d42:4)+H	1.0501	0.8899
2_SM(d42:4)+HCOO	1.0069	0.9849
2_SM(d42:5)+H	1.0617	0.8644
2_SM(d42:5)+HCOO	0.8987	1.2228
2_SM(d42:6)+H	1.0866	0.8094
2_SM(d42:7)+H	0.9204	1.1752
2_SM(d42:8)+H	1.2494	0.4513
2_SM(d43:1)+H	1.1669	0.6328
2_SM(d43:2)+H	1.0506	0.8886
2_SM(d43:2)+HCOO	0.7783	1.5542
2_SM(d43:3)+H	1.0958	0.7892
2_SM(d44:3)+H	0.9962	1.0084
2_SM(d44:4)+H	1.1690	0.6282
2_SM(d44:6)+H	0.8839	1.2554
2_SM(t34:0)+H	0.9693	1.0675
2_SM(t34:1)+H	1.0514	0.8869
2_TG(10:0_18:2_18:2)+NH4	0.8725	1.2804
2_TG(12:0_18:2_18:3)+NH4	1.1748	0.6154
2_TG(14:0_18:2_18:3)+NH4	1.1546	0.6600
2_TG(15:0_14:0_16:0)+NH4	1.0669	0.8529
2_TG(15:0_16:0_16:0)+NH4	0.9314	1.1509
2_TG(15:0_16:0_18:1)+NH4	1.1541	0.6610
2_TG(15:0_18:2_20:4)+NH4	1.1101	0.7578
2_TG(16:0_10:1_18:2)+NH4	1.2624	0.4227
2_TG(16:0_14:0_14:0)+NH4	1.1085	0.7613
2_TG(16:0_14:0_16:1)+NH4	1.0098	0.9785
2_TG(16:0_14:0_20:4)+NH4	1.0906	0.8007
2_TG(16:0_16:0_16:0)+NH4	1.0858	0.8112
2_TG(16:0_16:0_18:1)+NH4	0.9287	1.1568
2_TG(16:0_16:0_18:2)+NH4	0.9634	1.0805
2_TG(16:0_16:1_18:1)+NH4	1.1492	0.6718
2_TG(16:0_16:1_18:2)+NH4	1.0148	0.9675
2_TG(16:0_17:0_18:1)+NH4	1.1383	0.6956
2_TG(16:0_17:1_18:1)+NH4	1.1493	0.6716
2_TG(16:0_18:1_16:0)+NH4	1.1466	0.6775
2_TG(16:0_18:1_18:1)+NH4	0.9200	1.1760
2_TG(16:0_18:1_18:2)+NH4	0.9825	1.0385
2_TG(16:0_18:1_22:6)+NH4	1.0031	0.9933
2_TG(16:0_18:2_18:2)+NH4	1.1724	0.6207
2_TG(16:0_18:2_20:4)+NH4	1.0983	0.7837
2_TG(16:0_6:0_18:1)+NH4	1.1929	0.5757
2_TG(16:1_18:1_18:2)+NH4	1.0682	0.8499
2_TG(16:1_18:2_18:3)+NH4	1.0939	0.7934
2_TG(16:1_18:3_18:3)+NH4	1.0117	0.9743
2_TG(17:0_18:1_20:4)+NH4	1.0516	0.8865
2_TG(18:0_16:0_16:0)+NH4	1.1434	0.6845
2_TG(18:0_16:0_18:1)+NH4	1.2626	0.4222
2_TG(18:0_18:0_18:0)+NH4	1.1110	0.7557
2_TG(18:0_18:1_18:1)+NH4	1.1832	0.5970
2_TG(18:0_18:1_22:4)+NH4	1.0572	0.8742
2_TG(18:0_18:1_22:6)+NH4	1.0435	0.9043
2_TG(18:0_20:4_22:5)+NH4	0.9551	1.0987
2_TG(18:0_20:4_22:6)+NH4	1.0003	0.9994
2_TG(18:0_6:0_12:0)+NH4	1.2793	0.3855
2_TG(18:1_18:1_16:0)+NH4	1.0946	0.7920
2_TG(18:1_18:1_18:1)+NH4	1.0469	0.8967
2_TG(18:1_18:1_18:2)+NH4	0.8258	1.3832
2_TG(18:1_18:2_18:2)+NH4	1.1010	0.7779
2_TG(18:3_18:2_18:3)+NH4	1.0798	0.8244
2_TG(19:1_18:1_18:1)+NH4	1.1170	0.7426
2_TG(19:1_18:1_18:2)+NH4	1.1135	0.7502
2_TG(4:0_16:0_18:1)+NH4	1.3172	0.3022
2_TG(44:4)+NH4	1.0322	0.9291
2_TG(44:6e)+NH4	1.0036	0.9920
2_TG(8:0_18:2_18:2)+NH4	1.1270	0.7205
3_Cer(d18:1_18:0)+HCOO	1.0135	0.9702
3_Cer(d18:1_24:1)+HCOO	1.0694	0.8474
3_Cer(d18:2_22:0)+H	1.2436	0.4885
3_Cer(d18:2_23:0)+H	1.3248	0.2854
3_ChE(18:2)+NH4	1.0700	0.8460
3_ChE(20:4)+NH4	0.9307	1.1526
3_CL(74:2)-2H	1.1261	0.7227
3_CL(74:3)-2H	1.0875	0.8075
3_CL(78:3)-2H	1.0132	0.9709
3_CL(82:9)-2H	1.1347	0.7037
3_DG(18:0_18:0)+NH4	1.0456	0.8996
3_DG(18:1_18:2)+NH4	1.1754	0.6140
3_Hex1Cer(d18:1_24:1)+H	1.0847	0.8136
3_Hex2Cer(d18:1_24:1)+H	1.2237	0.5527
3_LPC(15:0)+H	0.9218	1.1720
3_LPC(16:0e)+HCOO	1.0113	0.9752
3_LPC(16:0)+H	0.9274	1.1597
3_LPC(16:0)+HCOO	0.9319	1.1498
3_LPC(17:0)+H	1.0813	0.8210
3_LPC(17:0)+HCOO	1.0563	0.8762
3_LPC(18:0)+H	0.9673	1.0718
3_LPC(18:0)+HCOO	1.0413	0.9092
3_LPC(18:1e)+H	1.0623	0.8630
3_LPC(18:1)+H	0.8398	1.3523
3_LPC(18:2)+HCOO	1.0747	0.8356
3_LPC(20:3)+HCOO	0.9872	1.0282
3_LPC(20:4)+HCOO	0.9863	1.0302
3_PC(14:0_18:2)+HCOO	1.1458	0.6792
3_PC(14:0_20:4)+HCOO	1.1729	0.6196
3_PC(15:0_16:0)+HCOO	0.8587	1.3108
3_PC(15:0_18:1)+HCOO	1.0280	0.9385
3_PC(15:0_18:2)+H	1.1710	0.6238
3_PC(15:0_18:2)+HCOO	1.1373	0.6980
3_PC(15:0_20:4)+HCOO	1.1102	0.7575
3_PC(16:0_14:0)+HCOO	1.1481	0.6742
3_PC(16:0_16:0)+HCOO	1.0949	0.7911
3_PC(16:0_16:1)+HCOO	1.0962	0.7884
3_PC(16:0_18:1)+H	1.2298	0.4944
3_PC(16:0_18:1)+HCOO	1.1118	0.7540
3_PC(16:0_18:2)+H	0.9638	1.0796
3_PC(16:0_18:2)+HCOO	1.0866	0.8096
3_PC(16:0_20:4)+HCOO	1.0699	0.8462
3_PC(16:0_20:5)+HCOO	1.0604	0.8670
3_PC(16:0_22:5)+HCOO	1.1090	0.7602
3_PC(16:0_22:6)+HCOO	1.0009	0.9979
3_PC(16:0e_16:0)+HCOO	1.2050	0.5491
3_PC(16:0e_18:2)+HCOO	1.1672	0.6321
3_PC(16:0e_20:4)+HCOO	1.0354	0.9222
3_PC(16:1_18:2)+HCOO	1.0483	0.8937
3_PC(16:1e_16:0)+HCOO	1.1085	0.7613
3_PC(16:1e_18:1)+HCOO	0.9159	1.1850
3_PC(16:1e_18:2)+HCOO	0.9835	1.0363
3_PC(16:1e_20:4)+HCOO	1.0278	0.9388
3_PC(16:1e_22:6)+HCOO	1.1250	0.6946
3_PC(17:0_18:1)+HCOO	1.0933	0.7947
3_PC(17:0_18:2)+HCOO	1.0858	0.8112
3_PC(17:0_20:3)+HCOO	1.0044	0.9902
3_PC(17:0_20:4)+HCOO	1.0259	0.9430
3_PC(18:0_16:0)+HCOO	1.0302	0.9336
3_ PC(18:0_18:1)+HCOO	1.0206	0.9546
3_PC(18:0_18:2)+HCOO	1.0353	0.9223
3_PC(18:0_20:2)+HCOO	1.0290	0.9361
3_PC(18:0_20:3)+HCOO	1.0249	0.9452
3_PC(18:0_20:4)+HCOO	1.0419	0.9078
3_PC(18:0_22:4)+HCOO	1.0705	0.8449
3_PC(18:0_22:5)+HCOO	1.1054	0.7682
3_PC(18:0_22:6)+HCOO	1.0311	0.9316
3_PC(18:0e_18:2)+HCOO	1.0732	0.8389
3_PC(18:0e_20:4)+HCOO	0.9495	1.1111
3_PC(18:0e_22:6)+HCOO	1.1288	0.7166
3_PC(18:1_18:1)+HCOO	1.0604	0.8672
3_PC(18:1_18:2)+HCOO	1.0217	0.9522
3_PC(18:1_22:6)+HCOO	1.0210	0.9538
3_PC(18:1e_16:0)+HCOO	1.1101	0.7578
3_PC(18:1e_18:2)+HCOO	1.0339	0.9255
3_PC(18:1e_20:4)+HCOO	1.1268	0.7210
3_PC(18:1e_22:6)+HCOO	1.0578	0.8729
3_PC(18:2_18:2)+H	1.2541	0.4410
3_PC(18:2_18:2)+HCOO	0.9559	1.0970
3_PC(18:2e_20:4)+HCOO	0.9694	1.0672
3_PC(19:0_18:2)+HCOO	1.0866	0.8094
3_PC(20:0e_20:4)+HCOO	0.9474	1.1157
3_PC(20:1e_20:4)+HCOO	1.0128	0.9719
3_PC(32:0e)+H	1.0090	0.9802
3_PC(32:0)+H	0.9553	1.0983
3_PC(33:0)+H	1.1857	0.5915
3_PC(33:1)+H	0.9874	1.0277
3_PC(33:2)+H	0.9471	1.1163
3_PC(34:0e)+H	1.0803	0.8233
3_PC(34:0)+H	0.9827	1.0380
3_PC(34:1e)+H	0.9775	1.0495
3_PC(34:1)+H	0.9895	1.0232
3_PC(34:2e)+H	1.2129	0.5316
3_PC(34:2)+H	1.0376	0.9172
3_PC(34:3e)+H	0.9357	1.1415
3_PC(34:3)+H	1.2106	0.5366
3_PC(34:4)+H	1.1717	0.6223
3_PC(35:3e)+H	1.1904	0.5810
3_PC(35:3)+H	1.1683	0.6297
3_PC(35:4)+H	1.1949	0.5236
3_PC(36:1e)+H	1.0523	0.8849
3_PC(36:1)+H	1.0371	0.9183
3_PC(36:2e)+H	1.0853	0.8123
3_PC(36:2)+H	1.0330	0.9274
3_PC(36:4e)+H	0.9625	1.0824
3_PC(36:4)+H	0.9157	1.1855
3_PC(36:5e)+H	0.9769	1.0509
3_PC(36:5)+H	1.0550	0.8790
3_PC(37:1)+H	1.1055	0.7679
3_PC(37:2)+H	1.0886	0.8050
3_PC(37:3)+H	1.1242	0.7267
3_PC(37:4e)+H	1.0305	0.9330
3_PC(37:4)+H	1.1179	0.7406
3_PC(37:5e)+H	1.1353	0.7023
3_PC(37:5)+H	1.1677	0.6310
3_PC(37:6)+H	1.2609	0.4260
3_PC(38:2e)+H	1.0921	0.7974
3_PC(38:2)+H	1.0116	0.9745
3_PC(38:3)+H	1.2040	0.5513
3_PC(38:4)+H	1.1486	0.6730
3_PC(38:5e)+H	1.1722	0.6212
3_PC(38:5)+H	1.1769	0.6108
3_PC(38:6e)+H	1.0925	0.7966
3_PC(38:6)+H	0.9260	1.1629
3_PC(38:7e)+H	1.0023	0.9950
3_PC(38:8)+H	1.2164	0.5239
3_PC(39:6)+H	1.0718	0.8420
3_PC(40:2e)+H	1.3279	0.2786
3_PC(40:3e)+H	1.0070	0.9845
3_PC(40:4e)+H	1.0903	0.8012
3_PC(40:5)+H	1.0965	0.7877
3_PC(40:6e)+H	1.0699	0.8463
3_PC(40:6)+H	1.1087	0.7609
3_PC(40:7e)+H	1.1033	0.7727
3_PC(40:7)+H	1.1640	0.6392
3_PC(40:8e)+H	1.2142	0.5287
3_PC(40:8)+H	1.0793	0.8256
3_PC(42:3e)+H	1.1596	0.6488
3_PC(42:4e)+H	1.0623	0.8629
3_PC(42:4)+H	1.2466	0.4575
3_PC(42:5e)+H	1.2696	0.4069
3_PC(42:6e)+H	1.1824	0.5987
3_PC(42:6)+H	1.0462	0.8983
3_PC(42:8)+H	1.1796	0.6048
3_PC(44:5e)+H	1.0559	0.8770
3_PC(44:6e)+H	1.0388	0.9145
3_PE(16:0p_20:4)+H	0.9953	1.0103
3_PE(18:0_22:5)-H	0.7899	1.4902
3_PE(18:1_18:2)-H	1.1335	0.7064
3_PE(18:1e_20:4)-H	0.9860	1.0309
3_PE(18:2e_20:4)-H	1.0479	0.8947
3_PE(19:0_18:2)+H	1.2923	0.3569
3_PI(18:1_20:4)-H	1.0888	0.8046
3_SM(d18:1_22:1)+H	0.9144	1.1882
3_SM(d18:1_24:1)+H	0.9175	1.1814
3_SM(d18:1_24:2)+H	0.9061	1.2066
3_SM(d32:1)+HCOO	0.9687	1.0688
3_SM(d33:1)+H	0.9814	1.0410
3_SM(d33:1)+HCOO	1.0016	0.9964
3_SM(d34:1)+H	0.7772	1.4902
3_SM(d34:1)+HCOO	1.0276	0.9392
3_SM(d34:2)+H	0.8752	1.2745
3_SM(d34:2)+HCOO	0.9459	1.1190
3_SM(d35:1)+H	1.0978	0.7848
3_SM(d36:0)+HCOO	0.9014	1.2169
3_SM(d36:1)+H	0.9067	1.2052
3_SM(d36:1)+HCOO	0.9570	1.0945
3_SM(d36:2)+HCOO	0.8870	1.2485
3_SM(d36:3)+H	0.9898	1.0224
3_SM(d36:3)+HCOO	1.0282	0.9379
3_SM(d37:1)+H	1.0359	0.9209
3_SM(d38:1)+HCOO	0.9731	1.0593
3_SM(d38:2)+H	1.0186	0.9590
3_SM(d38:2)+HCOO	1.0076	0.9833
3_SM(d39:1)+H	1.0465	0.8977
3_SM(d39:1)+HCOO	1.0105	0.9769
3_SM(d40:1)+H	0.8736	1.2781
3_SM(d40:1)+HCOO	0.9684	1.0695
3_SM(d40:2)+HCOO	0.9775	1.0495
3_SM(d40:3)+HCOO	0.9822	1.0391
3_SM(d40:4)+H	1.0825	0.8184
3_SM(d41:1)+H	0.9510	1.1078
3_SM(d41:1)+HCOO	0.9891	1.0239
3_SM(d41:2)+HCOO	1.0108	0.9763
3_SM(d41:3)+H	1.0516	0.8865
3_SM(d42:1)+H	0.9662	1.0744
3_SM(d42:1)+HCOO	1.0282	0.9381
3_SM(d42:2)+H	0.9762	1.0524
3_SM(d42:2)+HCOO	0.9554	1.0981
3_SM(d42:3)+HCOO	0.9827	1.0381
3_SM(d42:4)+H	0.9384	1.1355
3_SM(d42:4)+HCOO	0.9321	1.1494
3_SM(d42:5)+H	0.6946	1.6720
3_SM(d42:5)+HCOO	0.7608	1.4784
3_SM(d42:6)+H	1.0963	0.7882
3_SM(d42:7)+H	1.1005	0.7788
3_SM(d42:8)+H	1.2362	0.4803
3_SM(d43:1)+H	0.8492	1.3317
3_SM(d43:2)+H	1.1822	0.5992
3_SM(d43:2)+HCOO	1.0261	0.9425
3_SM(d43:3)+H	0.9249	1.1651
3_SM(d44:3)+H	0.9174	1.1818
3_SM(t34:1)+H	0.9546	1.0998
3_TG(15:0_16:0_16:0)+NH4	0.9441	1.1229
3_TG(15:0_16:0_18:1)+NH4	1.0160	0.9647
3_TG(16:0_16:0_16:0)+NH4	0.9008	1.2182
3_TG(16:0_16:0_18:1)+NH4	0.9033	1.2128
3_TG(16:0_16:0_18:2)+NH4	1.0216	0.9525
3_TG(16:0_16:1_18:1)+NH4	1.2309	0.4920
3_TG(16:0_16:1_18:2)+NH4	1.1774	0.6097
3_TG(16:0_18:1_18:1)+NH4	1.1070	0.7646
3_TG(16:0_18:1_18:2)+NH4	1.0549	0.8793
3_TG(16:0_18:2_18:2)+NH4	1.1586	0.6511
3_TG(18:0_18:1_18:1)+NH4	1.0246	0.9459
3_TG(18:0_6:0_12:0)+NH4	1.1971	0.5663
3_TG(18:1_18:1_18:1)+NH4	1.1696	0.6268
3_TG(18:1_18:1_18:2)+NH4	0.7751	1.4948
3_TG(18:1_18:2_18:2)+NH4	1.0285	0.9373
3_TG(19:1_18:1_18:1)+NH4	1.0334	0.9264
4_ChE(18:2)+NH4	1.0547	0.8796
4_CL(74:2)-2H	0.9840	1.0352
4_CL(74:3)-2H	1.0748	0.8354
4_DG(18:0_18:0)+NH4	0.9875	1.0275
4_LPC(16:0)+H	1.0115	0.9746
4_LPC(16:0)+HCOO	0.9168	1.1831
4_LPC(17:0)+H	0.9490	1.1123
4_LPC(18:0)+H	0.9340	1.1452
4_LPC(18:0)+HCOO	1.0125	0.9724
4_LPC(18:1)+H	0.9085	1.2013
4_PC(14:0_18:2)+HCOO	1.1698	0.6265
4_PC(14:0_20:4)+HCOO	1.1643	0.5984
4_PC(15:0_18:2)+HCOO	1.0399	0.9162
4_PC(15:0_20:4)+HCOO	1.2387	0.6022
4_PC(16:0_14:0)+HCOO	1.0839	0.8155
4_PC(16:0_16:0)+HCOO	1.0600	0.8681
4_PC(16:0_16:1)+HCOO	1.1175	0.7414
4_PC(16:0_18:1)+HCOO	1.1631	0.6413
4_PC(16:0_18:2)+H	0.9953	1.0104
4_PC(16:0_18:2)+HCOO	1.0441	0.9029
4_PC(16:0_20:4)+HCOO	1.0872	0.8081
4_PC(16:0_22:6)+HCOO	1.0949	0.7911
4_PC(16:0e_16:0)+HCOO	1.0642	0.8588
4_PC(16:0e_20:4)+HCOO	1.0379	0.9166
4_PC(16:1_18:2)+HCOO	0.9878	1.0269
4_PC(16:1e_16:0)+HCOO	0.9697	1.0636
4_PC(16:1e_18:1)+HCOO	1.0948	0.7915
4_PC(16:1e_18:2)+HCOO	1.0921	0.7973
4_PC(16:1e_20:4)+HCOO	0.9968	1.0071
4_PC(17:0_18:1)+HCOO	1.0377	0.9170
4_PC(17:0_18:2)+HCOO	1.1325	0.7085
4_PC(17:0_20:3)+HCOO	1.0058	0.9872
4_PC(17:0_20:4)+HCOO	1.0747	0.8356
4_PC(18:0_16:0)+HCOO	1.0821	0.8194
4_ PC(18:0_18:1)+HCOO	1.0531	0.8831
4_PC(18:0_20:2)+HCOO	1.1008	0.7782
4_PC(18:0_20:3)+HCOO	1.0311	0.9316
4_PC(18:0_20:4)+HCOO	1.1088	0.7607
4_PC(18:0_22:4)+HCOO	1.0432	0.9049
4_PC(18:0_22:5)+HCOO	1.0476	0.8952
4_PC(18:0_22:6)+HCOO	1.0043	0.9906
4_PC(18:0e_18:2)+HCOO	0.9807	1.0424
4_PC(18:0e_20:4)+HCOO	1.0101	0.9778
4_PC(18:0e_22:6)+HCOO	1.0215	0.9528
4_PC(18:1_18:1)+HCOO	0.9571	1.0943
4_PC(18:1_18:2)+HCOO	0.9766	1.0515
4_PC(18:1_22:6)+HCOO	1.1191	0.7353
4_PC(18:1e_16:0)+HCOO	1.0235	0.9482
4_PC(18:1e_18:2)+HCOO	0.9339	1.1455
4_PC(18:1e_20:4)+HCOO	0.9762	1.0524
4_PC(18:1e_22:6)+HCOO	0.9882	1.0259
4_PC(18:2_18:2)+H	1.3250	0.2851
4_PC(18:2e_20:4)+HCOO	1.0583	0.8717
4_PC(19:0_18:2)+HCOO	1.1011	0.7777
4_PC(20:0e_20:4)+HCOO	0.9789	1.0465
4_PC(20:1e_20:4)+HCOO	1.0721	0.8414
4_PC(32:0)+H	1.0504	0.8891
4_PC(33:1)+H	1.2281	0.4983
4_PC(33:2)+H	1.2454	0.4602
4_PC(34:1e)+H	1.0497	0.8907
4_PC(34:1)+H	0.9166	1.1836
4_PC(34:2e)+H	1.0212	0.9533
4_PC(34:2)+H	1.0423	0.9070
4_PC(34:3e)+H	0.9885	1.0254
4_PC(34:3)+H	1.0947	0.7916
4_PC(35:3)+H	1.1186	0.7392
4_PC(36:1)+H	1.0054	0.9880
4_PC(36:2e)+H	0.9862	1.0304
4_PC(36:2)+H	1.0467	0.8973
4_PC(36:4e)+H	0.9283	1.1577
4_PC(36:4)+H	1.0985	0.7833
4_PC(36:5e)+H	0.8773	1.2700
4_PC(36:5)+H	1.2944	0.3524
4_PC(37:3)+H	0.9920	1.0175
4_PC(37:4)+H	1.1001	0.7799
4_PC(37:5)+H	1.1125	0.7525
4_PC(38:5e)+H	1.1606	0.6466
4_PC(38:5)+H	1.0632	0.8609
4_PC(38:6)+H	1.1037	0.7718
4_PC(39:6)+H	0.9776	1.0493
4_PC(40:2e)+H	1.2039	0.5515
4_PC(40:4e)+H	1.0537	0.8819
4_PC(40:5)+H	0.9744	1.0564
4_PC(40:6e)+H	1.0333	0.9268
4_PC(40:6)+H	0.8868	1.2491
4_PC(40:7e)+H	1.1072	0.7643
4_PC(40:7)+H	1.1719	0.6218
4_PC(40:8e)+H	0.9353	1.1424
4_PC(42:3e)+H	1.1581	0.6523
4_PC(42:4e)+H	1.2663	0.4141
4_PC(42:5e)+H	1.0376	0.9172
4_PC(42:6e)+H	1.1717	0.6223
4_PC(44:5e)+H	1.0408	0.9102
4_PC(44:6e)+H	1.2954	0.3500
4_PE(18:0_22:5)-H	1.1505	0.6688
4_SM(d33:1)+H	0.9632	1.0809
4_SM(d33:1)+HCOO	1.0453	0.9003
4_SM(d34:1)+H	0.8122	1.4133
4_SM(d34:1)+HCOO	0.8577	1.3132
4_SM(d35:1)+H	0.8250	1.3851
4_SM(d36:1)+H	1.1193	0.7376
4_SM(d36:1)+HCOO	0.8987	1.2229
4_SM(d36:2)+HCOO	0.9484	1.1136
4_SM(d38:1)+HCOO	0.9445	1.1222
4_SM(d38:2)+HCOO	0.9575	1.0935
4_SM(d39:1)+H	0.9524	1.1046
4_SM(d39:1)+HCOO	1.0265	0.9417
4_SM(d40:1)+H	0.9610	1.0858
4_SM(d40:1)+HCOO	0.8829	1.2575
4_SM(d40:2)+HCOO	1.0143	0.9685
4_SM(d40:3)+HCOO	0.9370	1.1385
4_SM(d41:1)+H	0.9306	1.1526
4_SM(d41:1)+HCOO	0.9553	1.0982
4_SM(d41:2)+HCOO	0.9984	1.0036
4_SM(d41:3)+H	0.9121	1.1934
4_SM(d42:1)+H	0.8176	1.4013
4_SM(d42:1)+HCOO	0.9506	1.1086
4_SM(d42:2)+HCOO	1.0071	0.9844
4_SM(d42:3)+HCOO	1.0093	0.9796
4_SM(d42:4)+HCOO	0.9878	1.0267
4_SM(d42:5)+H	1.0050	0.9889
4_SM(d42:6)+H	1.0693	0.8475
4_SM(d42:8)+H	1.1686	0.6292
4_SM(d43:1)+H	1.2585	0.4312
4_SM(d43:2)+H	1.0061	0.9865
4_SM(d43:2)+HCOO	0.9883	1.0258
4_TG(16:0_16:0_16:0)+NH4	0.9617	1.0842
4_TG(16:0_16:0_18:1)+NH4	0.8248	1.3855
4_TG(16:0_16:1_18:1)+NH4	1.0157	0.9656
4_TG(16:0_16:1_18:2)+NH4	1.1347	0.7037
4_TG(16:0_18:1_18:1)+NH4	1.0459	0.8990
4_TG(16:0_18:1_18:2)+NH4	1.0053	0.9883
4_TG(16:0_18:2_18:2)+NH4	0.9492	1.1117
4_TG(18:1_18:1_18:1)+NH4	1.2493	0.4515
4_TG(18:1_18:1_18:2)+NH4	0.8230	1.3895
4_TG(18:1_18:2_18:2)+NH4	1.0079	0.9825
5_ChE(18:2)+NH4	0.9471	1.1164
5_LPC(16:0)+H	0.9555	1.0979
5_LPC(16:0)+HCOO	1.0592	0.8697
5_LPC(18:0)+H	0.9469	1.1169
5_LPC(18:0)+HCOO	1.0685	0.8493
5_LPC(18:1)+H	0.7707	1.5044
5_PC(15:0_18:2)+HCOO	1.1047	0.7441
5_PC(16:0_14:0)+HCOO	1.1076	0.7633
5_PC(16:0_16:0)+HCOO	1.0536	0.8820
5_PC(16:0_18:1)+HCOO	1.0736	0.8380
5_PC(16:0_18:2)+HCOO	1.0524	0.8846
5_PC(16:0_20:4)+HCOO	1.0262	0.9423
5_PC(16:0_22:6)+HCOO	0.9264	1.1620
5_PC(16:0e_16:0)+HCOO	0.8674	1.2784
5_PC(16:0e_20:4)+HCOO	0.9312	1.1514
5_PC(16:1_18:2)+HCOO	1.0915	0.7987
5_PC(16:1e_16:0)+HCOO	1.0221	0.9681
5_PC(16:1e_18:1)+HCOO	1.0479	0.8945
5_PC(16:1e_18:2)+HCOO	1.1303	0.7133
5_PC(17:0_18:1)+HCOO	1.1027	0.7740
5_PC(17:0_18:2)+HCOO	0.9885	1.0253
5_PC(18:0_16:0)+HCOO	1.0751	0.8349
5_ PC(18:0_18:1)+HCOO	1.1015	0.7767
5_PC(18:0_20:2)+HCOO	1.0291	0.9580
5_PC(18:0_20:3)+HCOO	1.1363	0.7002
5_PC(18:0_20:4)+HCOO	0.9855	1.0320
5_PC(18:0_22:4)+HCOO	1.0417	0.9082
5_PC(18:0_22:5)+HCOO	0.9068	1.2050
5_PC(18:0_22:6)+HCOO	0.9723	1.0610
5_PC(18:0e_18:2)+HCOO	1.0362	0.9203
5_PC(18:0e_20:4)+HCOO	1.0471	0.8963
5_PC(18:1e_16:0)+HCOO	1.0487	0.8929
5_PC(18:1e_18:2)+HCOO	0.8270	1.3805
5_PC(18:1e_20:4)+HCOO	0.9884	1.0256
5_PC(18:2_18:2)+H	1.1822	0.5992
5_PC(18:2e_20:4)+HCOO	1.0223	0.9509
5_PC(19:0_18:2)+HCOO	1.1192	0.7378
5_PC(20:1e_20:4)+HCOO	1.0487	0.8928
5_PC(34:1e)+H	1.1832	0.5970
5_PC(34:1)+H	1.1712	0.6233
5_PC(34:2)+H	1.2280	0.4984
5_PC(34:3)+H	1.0349	0.9233
5_PC(35:3)+H	1.2076	0.5433
5_PC(36:1)+H	1.0573	0.8740
5_PC(36:2e)+H	1.1724	0.6206
5_PC(36:2)+H	1.0149	0.9672
5_PC(36:4e)+H	0.9859	1.0311
5_PC(36:4)+H	1.1773	0.6099
5_PC(36:5e)+H	0.9638	1.0796
5_PC(36:5)+H	1.1311	0.7117
5_PC(37:3)+H	1.1411	0.6896
5_PC(37:4)+H	1.3236	0.2882
5_PC(38:5e)+H	1.1636	0.6401
5_PC(38:6)+H	1.0107	0.9765
5_PC(40:5)+H	1.1306	0.7126
5_PC(40:6e)+H	1.1466	0.6776
5_PC(40:7)+H	1.1066	0.7654
5_PC(40:8e)+H	1.2000	0.5599
5_PC(42:4e)+H	1.0881	0.8062
5_PC(42:5e)+H	1.0929	0.7955
5_PC(42:6e)+H	1.1148	0.7475
5_PC(44:5e)+H	0.9505	1.1090
5_PC(44:6e)+H	1.1152	0.7466
5_SM(d34:1)+H	0.8869	1.2488
5_SM(d34:1)+HCOO	1.0415	0.9086
5_SM(d36:1)+H	0.8674	1.2918
5_SM(d36:1)+HCOO	0.9902	1.0216
5_SM(d39:1)+HCOO	1.0543	0.8806
5_SM(d40:1)+H	0.9166	1.1835
5_SM(d40:1)+HCOO	0.9765	1.0517
5_SM(d40:2)+HCOO	1.0177	0.9610
5_SM(d41:1)+H	0.8530	1.3234
5_SM(d41:1)+HCOO	0.9596	1.0889
5_SM(d41:2)+HCOO	1.0395	0.9131
5_SM(d41:3)+H	0.9931	1.0152
5_SM(d42:1)+H	0.8761	1.2726
5_SM(d42:1)+HCOO	1.0156	0.9656
5_SM(d42:2)+HCOO	0.9208	1.1741
5_SM(d42:3)+HCOO	0.9685	1.0694
5_SM(d42:5)+H	1.1820	0.5997
5_TG(16:0_16:0_18:1)+NH4	1.0279	0.9387
5_TG(16:0_18:1_18:1)+NH4	1.0435	0.9042
5_TG(16:0_18:1_18:2)+NH4	0.9751	1.0548
5_TG(16:0_18:2_18:2)+NH4	0.9751	1.0549
5_TG(18:1_18:1_18:2)+NH4	1.0632	0.8609
5_TG(18:1_18:2_18:2)+NH4	0.9233	1.1688
6_ChE(18:2)+NH4	0.9284	1.1575
6_LPC(16:0)+H	1.1761	0.6125
6_LPC(16:0)+HCOO	0.7294	1.5953
6_LPC(18:0)+HCOO	1.0617	0.8642
6_PC(16:0_18:1)+HCOO	0.9363	1.1402
6_PC(16:0_18:2)+HCOO	1.1264	0.7219
6_PC(16:0_20:4)+HCOO	1.0644	0.8584
6_PC(16:0_22:6)+HCOO	1.0371	0.9183
6_PC(16:0e_16:0)+HCOO	1.0871	0.8258
6_PC(16:0e_20:4)+HCOO	0.8929	1.2357
6_PC(16:1e_16:0)+HCOO	0.9879	1.0161
6_PC(16:1e_18:1)+HCOO	0.9930	1.0155
6_PC(17:0_18:1)+HCOO	1.0762	0.8324
6_PC(17:0_18:2)+HCOO	1.0315	0.9308
6_PC(18:0_16:0)+HCOO	1.0857	0.8095
6_ PC(18:0_18:1)+HCOO	1.0478	0.8948
6_PC(18:0_20:2)+HCOO	1.0778	0.8789
6_PC(18:0_22:5)+HCOO	1.0958	0.7893
6_PC(18:0e_18:2)+HCOO	1.0664	0.8539
6_PC(18:0e_20:4)+HCOO	0.9802	1.0435
6_PC(18:1e_18:2)+HCOO	1.1187	0.7389
6_PC(18:1e_20:4)+HCOO	1.0550	0.8790
6_PC(18:2e_20:4)+HCOO	1.0340	0.9389
6_PC(20:1e_20:4)+HCOO	1.0527	0.8840
6_PC(34:1)+H	1.2313	0.4911
6_PC(34:2)+H	1.1136	0.7501
6_PC(36:1)+H	1.1119	0.7538
6_PC(36:2e)+H	1.2180	0.5204
6_PC(36:2)+H	1.0121	0.9735
6_PC(36:4)+H	0.9406	1.1306
6_PC(36:5)+H	1.0381	0.9162
6_PC(37:4)+H	1.0975	0.7833
6_PC(38:5e)+H	1.1165	0.7437
6_PC(40:6e)+H	1.0797	0.8246
6_PC(40:7)+H	1.1293	0.7155
6_PC(42:4e)+H	1.0026	0.9944
6_PC(42:5e)+H	1.1458	0.6793
6_PC(42:6e)+H	1.0731	0.8392
6_SM(d34:1)+H	1.0185	0.9593
6_SM(d34:1)+HCOO	0.9653	1.0764
6_SM(d36:1)+H	0.8884	1.2455
6_SM(d40:1)+H	0.8518	1.3261
6_SM(d40:1)+HCOO	0.9655	1.0759
6_SM(d41:1)+HCOO	1.0750	0.8350
6_SM(d41:2)+HCOO	1.0350	0.9231
6_SM(d42:1)+H	1.2851	0.3728
6_SM(d42:1)+HCOO	0.9097	1.1986
6_SM(d42:2)+HCOO	0.9938	1.0137
6_SM(d42:5)+H	0.9676	1.0713
6_TG(16:0_18:1_18:1)+NH4	0.9953	1.0103
6_TG(16:0_18:1_18:2)+NH4	1.0224	0.9508
6_TG(16:0_18:2_18:2)+NH4	0.9355	1.1420
6_TG(18:1_18:2_18:2)+NH4	1.0909	0.8000
7_LPC(16:0)+HCOO	0.8733	1.2787
7_LPC(18:0)+HCOO	1.0079	0.9826
7_PC(16:0_18:1)+HCOO	1.0540	0.8811
7_PC(16:0_18:2)+HCOO	1.0813	0.8210
7_PC(16:0_20:4)+HCOO	0.9618	1.0840
7_PC(16:0_22:6)+HCOO	1.0755	0.8339
7_PC(16:0e_16:0)+HCOO	1.2106	0.6256
7_PC(16:0e_22:4)+HCOO	1.0716	0.8426
7_ PC(18:0_18:1)+HCOO	1.0343	0.9246
7_PC(18:0_22:5)+HCOO	1.0681	0.8502
7_PC(18:0e_18:2)+HCOO	1.0285	0.9372
7_PC(18:1e_20:4)+HCOO	1.0682	0.8499
7_PC(34:1)+H	1.2052	0.5486
7_PC(34:2)+H	0.9829	1.0377
7_PC(36:1)+H	1.1657	0.6354
7_PC(36:2e)+H	1.1405	0.6910
7_PC(36:4)+H	1.2957	0.3494
7_PC(40:6e)+H	1.1475	0.6754
7_PC(42:5e)+H	1.1407	0.6904
7_SM(d34:1)+HCOO	1.2673	0.4119
7_SM(d42:1)+H	0.9009	1.2180
7_SM(d42:1)+HCOO	0.9108	1.1963
7_SM(d42:2)+HCOO	1.0199	0.9563
7_TG(16:0_18:1_18:1)+NH4	1.0211	0.9536
7_TG(16:0_18:1_18:2)+NH4	1.0606	0.8666
7_TG(16:0_18:2_18:2)+NH4	1.0075	0.9836
8_LPC(16:0)+HCOO	0.8337	1.3659
8_PC(16:0_18:1)+HCOO	0.8457	1.3396
8_PC(16:0_18:2)+HCOO	1.1356	0.7018
8_PC(16:0_20:4)+HCOO	1.0619	0.8639
8_PC(16:0e_22:4)+HCOO	0.9332	1.1470
8_PC(18:1e_20:4)+HCOO	1.0083	0.9817
8_PC(34:2)+H	1.2271	0.5005
8_PC(36:4)+H	1.1128	0.7518
8_PC(40:6e)+H	0.9898	1.0224
8_SM(d42:2)+HCOO	1.0002	0.9995
8_TG(16:0_18:1_18:1)+NH4	0.9771	1.0504
8_TG(16:0_18:1_18:2)+NH4	1.0327	0.9280
8_TG(16:0_18:2_18:2)+NH4	1.0021	0.9954
9_PC(16:0_18:1)+HCOO	0.9730	1.0595
9_PC(16:0_18:2)+HCOO	1.0911	0.7997
9_PC(18:1e_20:4)+HCOO	1.0225	0.9505
9_PC(34:2)+H	1.3140	0.3093
9_PC(36:4)+H	1.2226	0.5103
9_TG(16:0_18:1_18:1)+NH4	1.0109	0.9760
9_TG(16:0_18:1_18:2)+NH4	1.0171	0.9625
9_TG(16:0_18:2_18:2)+NH4	1.0043	0.9905
AcCa(10:0)+H	1.0517	0.8862
AcCa(10:1)+H	1.0428	0.9057
AcCa(8:0)+H	1.0363	0.9202
CarE(18:0)+H	1.1415	0.6887
Cer(d14:0_25:1)+HCOO	1.1015	0.7768
Cer(d15:0_26:2)+HCOO	0.9574	1.1136
Cer(d16:0_20:1)+HCOO	0.9672	1.0721
Cer(d18:0_22:0)+H	1.0805	0.8228
Cer(d18:0_24:1)+H	1.0567	0.8753
Cer(d18:0_24:2)+H	1.0782	0.8279
Cer(d18:1_16:0)+H	1.1068	0.7651
Cer(d18:1_24:0)+H	1.0737	0.8378
Cer(d18:1_24:0+O)+H	1.0493	0.8915
Cer(d18:1_24:2)+H	1.0555	0.8779
Cer(d18:1_24:2)+HCOO	1.0729	0.8396
Cer(d18:1_25:0)+H	1.0964	0.7878
Cer(d18:1_25:1)+H	0.8572	1.3142
Cer(d18:2_23:0)+HCOO	1.0410	0.9097
Cer(d19:1_24:0)+H	1.0499	0.8902
Cer(d19:1_24:1)+H	1.0950	0.7911
Cer(d20:1_24:0)+H	1.0010	0.9979
Cer(d20:1_24:1)+H	1.0164	0.9639
Cer(d22:0_18:0)+HCOO	1.0827	0.8181
Cer(d39:1)+HCOO	1.1035	0.7723
Cer(d40:0)+HCOO	1.0266	0.9415
Cer(d41:0)+HCOO	0.9882	1.0259
Cer(d41:2)+HCOO	1.0668	0.8530
Cer(d42:1+O)+HCOO	0.8105	1.4170
Cer(d42:2)+H	1.1958	0.5692
Cer(d42:3)+HCOO	1.0545	0.8801
Cer(d43:2)+HCOO	1.0643	0.8586
Cer(m18:0_22:0)+H	1.1556	0.6576
Cer(m18:0_24:0)+H	1.0692	0.8478
Cer(m18:1_22:0)+H	1.0499	0.8902
Cer(m18:1_24:0+O)+H	1.1051	0.7689
Cer(m18:1_24:1)+H	1.0600	0.8681
Cer(m42:0+O)+HCOO	1.0331	0.9272
Cer(m43:1+O)+HCOO	1.0737	0.8378
Cer(t16:0_26:0)+HCOO	0.9042	1.2343
Cer(t17:0_23:0)+HCOO	1.0134	0.9599
Cer(t17:0_25:1)+HCOO	0.9640	1.0990
Cer(t42:0)+H	1.0662	0.8544
Cer(t42:2)+HCOO	1.0051	0.9856
ChE(16:0)+NH4	0.9771	1.0504
ChE(16:1)+NH4	0.9936	1.0140
ChE(18:1)+NH4	1.0105	0.9768
ChE(18:3)+NH4	1.0471	0.8964
ChE(20:3)+NH4	0.9128	1.1919
ChE(22:4)+NH4	0.9586	1.0910
ChE(22:6)+NH4	0.9495	1.1111
CL(70:3)-2H	1.1262	0.7225
CL(74:1)-2H	1.0775	0.8296
CL(74:5)-2H	1.1786	0.6070
CL(78:4)-2H	1.0588	0.8153
CL(78:5)-2H	1.0775	0.8296
CL(78:7)-2H	1.0606	0.8666
CL(78:8)-2H	1.1114	0.7548
CL(78:9)-2H	0.8541	1.3211
CL(81:4)-2H	0.9975	1.0055
Co(Q10)+NH4	1.0479	0.8947
Co(Q9)+NH4	1.1759	0.6130
DG(16:0_16:0)+NH4	1.2239	0.5073
DG(16:0_20:4)+NH4	0.9750	1.0551
DG(18:0_16:0)+NH4	1.0320	0.9296
DG(18:0_20:0)+NH4	1.0057	0.9876
DG(18:0_20:4)+NH4	0.9610	1.0858
DG(18:0_22:0)+NH4	0.9651	1.0767
DG(18:0_24:0)+NH4	0.9143	1.1885
DG(18:1_18:3)+NH4	1.2202	0.5155
DG(18:1_20:3)+NH4	1.1391	0.6940
DG(20:1_18:2)+NH4	1.2610	0.4257
DG(20:2_18:2)+NH4	1.1164	0.7440
DG(22:1e)+NH4	1.0104	0.9772
DG(34:0)+NH4	1.1450	0.6809
DG(36:4)+NH4	1.2174	0.5216
Hex1Cer(d18:1_16:0)+HCOO	0.9804	1.0432
Hex1Cer(d18:1_22:0)+HCOO	0.9985	1.0033
Hex1Cer(d18:1_23:0)+HCOO	1.0393	0.9135
Hex1Cer(d18:1_24:0)+H	1.0430	0.9053
Hex1Cer(d18:1_24:0)+HCOO	1.0147	0.9677
Hex1Cer(d18:2_24:1)+H	1.2664	0.4375
Hex1Cer(d40:1)+HCOO	1.0217	0.9522
Hex1Cer(d40:2)+H	1.0564	0.8759
Hex1Cer(d42:1)+H	1.2932	0.3550
Hex1Cer(d42:1+O)+HCOO	1.0568	0.8751
Hex1Cer(d44:4)+H	1.0302	0.9336
Hex1Cer(t40:0)+H	1.1557	0.6575
Hex1Cer(t42:2)+H	1.2319	0.4898
Hex1Cer(t42:2)+HCOO	0.9866	1.0295
Hex2Cer(d18:1_14:0)+H	1.0737	0.8379
Hex2Cer(d18:1_16:0)+HCOO	1.0394	0.9133
Hex2Cer(d18:1_24:0)+H	0.9737	1.0439
Hex2Cer(d32:1)+HCOO	1.0259	0.9431
Hex2Cer(d34:2)+HCOO	0.9816	1.0405
Hex3Cer(d34:1)+HCOO	1.0029	0.9936
LPC(18:0e)+H	1.1076	0.7633
LPC(18:1e)+HCOO	0.9023	1.2149
LPC(18:3)+H	1.1088	0.7607
LPC(18:3)+HCOO	1.1133	0.7508
LPC(19:0)+H	1.2642	0.4187
LPC(20:2)+H	1.1534	0.6625
LPC(20:5)+HCOO	1.0836	0.8161
LPC(22:5)+HCOO	1.0312	0.9314
LPC(22:6)+H	0.9870	1.0287
LPC(22:6)+HCOO	1.0091	0.9799
LPC(26:0)+H	1.2113	0.4084
LPC(32:0)+H	1.1831	0.5971
LPE(16:0)+H	1.1022	0.7752
LPE(18:0)+H	1.0779	0.8287
LPE(18:1)+H	1.0643	0.8586
LPE(18:2)+H	1.1061	0.7667
LPE(18:2)-H	1.0594	0.8693
LPE(20:3)-H	1.0745	0.8361
LPE(20:4)+H	1.0946	0.7919
LPE(20:4)-H	1.0581	0.8721
LPE(22:6)+H	1.0643	0.8586
LPE(22:6)-H	1.0292	0.9358
LPI(18:0)-H	0.9973	1.0059
LPI(20:4)-H	0.9559	1.0970
MG(16:0)+NH4	1.0049	0.9892
MG(18:0)+NH4	0.9879	1.0266
PC(14:0_18:2)+H	1.2574	0.4337
PC(14:0_20:4)+H	1.1371	0.6983
PC(14:0_22:6)+HCOO	1.0015	0.9947
PC(14:0e_22:6)+H	1.1448	0.6815
PC(15:0_18:1)+H	1.1544	0.6603
PC(15:0_20:3)+HCOO	0.9915	1.0224
PC(15:0_22:6)+H	1.0940	0.7933
PC(16:0_16:1)+H	1.1331	0.7072
PC(16:0_18:3)+H	1.1728	0.6198
PC(16:0_20:4)+H	1.0959	0.7891
PC(16:0_22:5)+H	1.1031	0.7732
PC(16:0_22:6)+H	1.1695	0.6272
PC(16:0e_20:3)+H	1.1932	0.5750
PC(16:0e_20:4)+H	0.9252	1.1645
PC(16:0e_22:6)+H	0.9889	1.0244
PC(16:1_18:2)+H	1.2105	0.5369
PC(16:1_20:4)+H	0.9909	1.0199
PC(16:1_20:4)+HCOO	1.0700	0.8459
PC(16:1e_22:6)+H	1.1765	0.6118
PC(16:2e_18:0)+H	1.0923	0.7970
PC(17:0_18:2)+H	1.0138	0.9696
PC(18:0_16:1)+H	1.1043	0.7704
PC(18:0_18:2)+H	1.1110	0.7557
PC(18:0_20:3)+H	1.0057	0.9874
PC(18:0_20:4)+H	1.1138	0.7495
PC(18:0_20:5)+HCOO	1.0850	0.8130
PC(18:0_22:4)+H	1.1351	0.7027
PC(18:0_22:6)+H	0.9550	1.0991
PC(18:1_18:1)+H	1.1654	0.6361
PC(18:1_18:2)+H	1.1602	0.6476
PC(18:1_20:3)+HCOO	1.0035	0.9922
PC(18:1_22:5)+HCOO	0.9987	1.0028
PC(18:1e_16:0)+H	1.1916	0.5785
PC(18:2_20:4)+H	1.1393	0.6935
PC(18:3_18:2)+H	1.1746	0.6158
PC(18:3_18:2)+HCOO	1.0459	0.5414
PC(18:3_22:5)+H	1.0930	0.7954
PC(19:2)+H	1.1777	0.6091
PC(19:5e)+H	1.0118	0.9740
PC(20:2_20:4)+HCOO	1.0469	0.8968
PC(20:3_20:3)+H	1.1251	0.7247
PC(20:4_20:4)+HCOO	0.9610	1.3896
PC(29:0)+H	1.3619	0.2400
PC(30:0e)+H	1.2476	0.4552
PC(31:1)+H	1.1840	0.5951
PC(32:1e)+H	1.1629	0.6416
PC(32:3)+H	1.2431	0.4653
PC(33:4)+H	1.1612	0.6453
PC(34:4e)+H	1.0881	0.8062
PC(34:5)+H	1.2771	0.3904
PC(35:2e)+H	1.3757	0.1734
PC(35:4e)+H	1.1354	0.7021
PC(35:6)+H	1.1756	0.6137
PC(36:0)+H	1.2668	0.4131
PC(36:6)+H	1.2800	0.3841
PC(36:7)+H	1.2520	0.4456
PC(38:1)+H	1.1321	0.7093
PC(38:7)+H	1.2235	0.5084
PC(38:8e)+H	1.1037	0.7718
PC(39:3e)+H	1.1319	0.7098
PC(39:3)+H	1.1903	0.5813
PC(39:5)+H	1.0978	0.7849
PC(40:3)+H	1.2663	0.4142
PC(42:2e)+H	1.3383	0.2557
PC(42:6e)+HCOO	1.0462	0.4921
PC(42:7)+H	1.1524	0.6648
PC(42:8e)+H	1.0805	0.8228
PC(8:0e_18:0)+H	1.2964	0.2756
PE(16:0_18:2)+H	1.1672	0.6321
PE(16:0_20:5)+H	1.2027	0.5540
PE(16:0_22:4)-H	1.0409	0.9100
PE(16:0_22:6)+H	1.1919	0.5778
PE(16:0e_22:5)-H	1.0659	0.8551
PE(16:0p_18:2)+H	0.9872	1.0282
PE(16:0p_20:5)+H	1.0584	0.8716
PE(16:1_20:4)+H	1.2513	0.4722
PE(16:1e_20:3)-H	1.0183	0.9597
PE(16:1e_22:4)+H	1.0412	0.9093
PE(16:1e_22:4)-H	0.9849	1.0333
PE(17:0_18:2)-H	0.8710	1.7741
PE(18:0_18:1)+H	1.1670	0.6326
PE(18:0p_18:1)+H	1.0646	0.8579
PE(18:0p_20:3)+H	1.0960	0.7887
PE(18:0p_22:4)+H	1.0461	0.8985
PE(18:1_18:1)+H	1.1476	0.6753
PE(18:1_18:1)-H	1.0810	0.8218
PE(18:1_20:4)+H	1.1555	0.6579
PE(18:1_22:6)+H	1.2277	0.4990
PE(18:1e_20:3)-H	0.9795	1.0451
PE(18:1e_20:4)+H	0.9845	1.0341
PE(18:1e_22:4)+H	1.0366	0.9195
PE(18:1e_22:4)-H	1.0368	0.9190
PE(18:1e)+H	1.1249	0.7253
PE(18:1p_20:3)+H	1.1331	0.7073
PE(18:2_20:4)+H	1.1696	0.6270
PE(18:2e_18:1)-H	0.9668	1.0730
PE(18:2p_20:4)+H	1.1334	0.7065
PE(19:1_18:2)+H	1.2612	0.4253
PE(20:0p_18:2)+H	1.0871	0.8084
PE(20:0p_20:4)+H	1.0622	0.8632
PE(20:1e_18:2)-H	1.0023	0.9950
PE(20:1e_20:4)-H	1.0344	0.9243
PE(20:1p_18:2)+H	1.1069	0.7649
PE(20:1p_20:4)+H	1.0430	0.9054
PE(20:2e_18:2)+H	1.3131	0.3112
PE(20:2e_20:4)+H	1.0652	0.8565
PE(20:3p_20:4)+H	1.0787	0.8270
PE(34:3)+H	1.1897	0.5827
PE(36:2e)-H	1.0106	0.9767
PE(36:4)+H	1.1477	0.6751
PE(38:3e)-H	1.0253	0.9443
PE(38:4e)-H	0.9987	1.0029
PE(38:5e)-H	1.0176	0.9612
PE(40:5e)-H	1.0600	0.8681
PE(40:8e)-H	0.9850	1.0331
PE(42:9)+H	1.1907	0.5804
PG(33:0)-H	1.0095	0.9792
PG(37:0)-H	0.9940	1.0133
PI(16:0_16:0)-H	1.2093	0.4418
PI(16:0_16:1)-H	0.9869	1.0611
PI(16:0_20:3)-H	1.0167	0.9632
PI(16:0_20:4)-H	1.0484	0.8936
PI(16:0_22:6)-H	1.0136	0.9702
PI(17:0_18:2)-H	0.8375	1.2844
PI(17:0_20:4)-H	0.9857	1.0574
PI(18:0_22:5)-H	1.1872	0.5632
PI(18:1_18:1)-H	1.0746	0.8359
PI(34:2)+H	1.0680	0.8503
PS(18:2_18:2)-H	1.0752	0.5487
PS(18:2_22:6)-H	0.9587	1.0909
SM(d18:1_16:1)+H	0.9963	1.0081
SM(d18:1_23:1)+H	1.2195	0.5171
SM(d18:2_14:0)+H	1.0128	0.9719
SM(d18:2_18:3)+H	1.1524	0.6648
SM(d18:2_23:2)+H	1.2982	0.3439
SM(d18:2_24:1)+H	1.1576	0.6533
SM(d31:1)+H	1.3193	0.2975
SM(d32:0)+HCOO	1.0948	0.7914
SM(d32:2)+H	0.9313	1.1511
SM(d34:4)+H	1.1934	0.5745
SM(d37:1)+HCOO	1.0170	0.9626
SM(d37:2)+H	1.2438	0.4637
SM(d38:0)+H	1.1898	0.5825
SM(d38:4)+H	0.9289	1.1564
SM(d38:5)+H	1.0410	0.9097
SM(d40:0)+H	1.0908	0.8002
SM(d41:2)+H	1.2160	0.5249
SM(d41:5)+H	0.9752	1.0373
SM(d43:1)+HCOO	0.9081	1.2023
SM(d43:4)+H	1.3097	0.3187
SM(d43:5)+H	1.2010	0.5579
SM(d44:2)+H	1.3356	0.2617
SM(d44:5)+H	1.1500	0.6700
SM(d44:7)+H	1.0795	0.8251
SM(t18:0_16:1)+H	1.2882	0.3660
SM(t34:2)+H	1.1545	0.6601
SM(t36:3)+H	0.9808	1.0423
SM(t38:1)+H	1.1750	0.6150
SM(t38:4)+H	1.1093	0.7596
SM(t39:4)+H	1.0529	0.7883
SM(t40:7)+H	1.1704	0.6252
SM(t42:4)+H	1.1834	0.5964
TG(10:0_18:1_18:2)+NH4	1.2498	0.4504
TG(10:0_18:2_18:2)+NH4	0.8967	1.2272
TG(10:0_18:2_18:3)+NH4	1.2421	0.4673
TG(12:0_12:0_12:0)+NH4	1.0252	0.9445
TG(12:0_12:0_14:0)+NH4	1.1601	0.6478
TG(12:0_12:0_18:2)+NH4	1.2869	0.3688
TG(12:0_12:0_18:3)+NH4	1.1941	0.5731
TG(12:0_14:0_18:2)+NH4	1.2637	0.4200
TG(12:0_18:2_18:2)+NH4	1.2047	0.5496
TG(12:0_18:2_22:6)+NH4	1.1574	0.6537
TG(13:0_13:0_21:1)+NH4	1.1498	0.6704
TG(15:0_14:0_14:1)+NH4	0.9435	1.1243
TG(15:0_14:1_16:1)+NH4	1.0060	0.9869
TG(15:0_16:0_16:1)+NH4	0.9815	1.0406
TG(15:0_16:0_18:2)+NH4	1.1285	0.7173
TG(15:0_16:0_18:3)+NH4	1.0272	0.9401
TG(15:0_16:0_22:6)+NH4	1.1593	0.6496
TG(15:0_16:1_16:1)+NH4	1.0038	0.9916
TG(15:0_16:1_18:1)+NH4	0.9716	1.0624
TG(15:0_16:1_18:2)+NH4	1.1067	0.7652
TG(15:0_16:1_20:4)+NH4	1.1051	0.7688
TG(15:0_16:1_24:0)+NH4	1.0807	0.8224
TG(15:0_18:1_18:2)+NH4	1.0921	0.7975
TG(15:0_18:1_18:3)+NH4	1.1543	0.6606
TG(15:0_18:1_22:6)+NH4	1.1176	0.7413
TG(15:0_18:2_18:2)+NH4	1.0811	0.8217
TG(15:0_18:2_18:3)+NH4	1.0957	0.7895
TG(15:0_18:2_22:6)+NH4	1.1056	0.7678
TG(15:0_6:0_12:0)+NH4	0.9466	1.1175
TG(16:0_10:0_20:4)+NH4	1.2361	0.4806
TG(16:0_10:1_16:1)+NH4	1.2568	0.4351
TG(16:0_11:1_18:2)+NH4	1.1011	0.7777
TG(16:0_12:0_12:0)+NH4	1.1522	0.6652
TG(16:0_12:0_14:0)+NH4	1.1375	0.6975
TG(16:0_12:0_18:2)+NH4	1.1459	0.6790
TG(16:0_12:0_18:3)+NH4	1.2401	0.4719
TG(16:0_12:0_22:6)+NH4	1.1881	0.5863
TG(16:0_12:1_18:1)+NH4	1.1552	0.6586
TG(16:0_14:0_14:1)+NH4	1.0196	0.9568
TG(16:0_14:0_18:1)+NH4	1.1777	0.6091
TG(16:0_14:0_18:2)+NH4	1.1188	0.7385
TG(16:0_14:0_22:6)+NH4	1.1616	0.6444
TG(16:0_14:2_18:1)+NH4	0.9684	1.0696
TG(16:0_14:2_18:2)+NH4	1.1936	0.5742
TG(16:0_16:0_16:1)+NH4	0.9830	1.0374
TG(16:0_16:0_22:6)+NH4	1.1188	0.7386
TG(16:0_16:1_16:1)+NH4	1.0811	0.8216
TG(16:0_16:1_17:1)+NH4	1.0936	0.7940
TG(16:0_17:0_20:4)+NH4	1.1245	0.7260
TG(16:0_17:1_18:2)+NH4	1.1059	0.7669
TG(16:0_17:1_20:4)+NH4	1.1023	0.7750
TG(16:0_18:1_14:0)+NH4	1.1211	0.7336
TG(16:0_18:1_20:4)+NH4	1.0398	0.9124
TG(16:0_18:1_21:1)+NH4	1.0942	0.7928
TG(16:0_18:1_22:0)+NH4	1.1071	0.7644
TG(16:0_18:1_22:2)+NH4	1.1162	0.7444
TG(16:0_18:1_22:4)+NH4	0.9801	1.0437
TG(16:0_18:1_23:0)+NH4	1.0451	0.9007
TG(16:0_18:1_24:0)+NH4	1.1339	0.7055
TG(16:0_18:2_18:3)+NH4	1.0632	0.8609
TG(16:0_18:2_20:5)+NH4	0.9516	1.1065
TG(16:0_18:2_22:6)+NH4	1.0336	0.9260
TG(16:0_18:2_23:0)+NH4	0.8499	1.3303
TG(16:0_20:4_22:6)+NH4	1.0798	0.8245
TG(16:0_20:5_22:6)+NH4	1.1490	0.6722
TG(16:0_22:5_22:6)+NH4	1.1103	0.7574
TG(16:0_22:6_22:6)+NH4	1.0618	0.8640
TG(16:0_6:0_12:0)+NH4	1.1395	0.7071
TG(16:0_6:0_18:2)+NH4	1.2901	0.3618
TG(16:0_8:0_16:1)+NH4	1.3343	0.2646
TG(16:0_9:0_14:0)+NH4	1.0891	0.8039
TG(16:1_10:1_18:2)+NH4	1.2118	0.5341
TG(16:1_14:0_16:1)+NH4	0.9072	1.2042
TG(16:1_16:1_18:2)+NH4	1.0963	0.7881
TG(16:1_18:2_22:6)+NH4	1.0806	0.8226
TG(17:0_18:1_18:1)+NH4	1.1130	0.7514
TG(17:0_18:1_18:2)+NH4	1.0777	0.8290
TG(17:0_18:1_22:5)+NH4	1.0748	0.8354
TG(17:0_18:1_22:6)+NH4	0.8902	1.2416
TG(17:0_18:2_22:4)+NH4	1.0469	0.8968
TG(17:0_18:2_22:6)+NH4	1.0237	0.9479
TG(18:0_16:0_18:0)+NH4	1.0335	0.9262
TG(18:0_16:0_22:0)+NH4	1.0182	0.9599
TG(18:0_16:0_24:0)+NH4	1.0328	0.9278
TG(18:0_17:0_18:0)+NH4	1.0052	0.9887
TG(18:0_18:0_18:1)+NH4	1.2566	0.4356
TG(18:0_18:0_19:0)+NH4	1.0006	0.9987
TG(18:0_18:1_18:0)+NH4	1.1788	0.6065
TG(18:0_18:1_18:2)+NH4	1.0441	0.9029
TG(18:0_18:1_20:3)+NH4	1.0821	0.8194
TG(18:0_18:1_20:4)+NH4	1.0369	0.9189
TG(18:0_18:1_22:5)+NH4	1.0474	0.8957
TG(18:0_18:1_24:0)+NH4	1.0629	0.8617
TG(18:0_20:4_22:2)+NH4	0.9420	1.1276
TG(18:0_20:4_22:4)+NH4	1.0478	0.8949
TG(18:0_22:6_22:6)+NH4	0.9368	1.1390
TG(18:0_6:0_10:0)+NH4	1.1390	0.6941
TG(18:0_8:0_10:0)+NH4	1.0595	0.8691
TG(18:0e_14:0_16:0)+NH4	1.0186	0.9592
TG(18:1_12:0_12:0)+NH4	1.2243	0.5065
TG(18:1_12:0_14:0)+NH4	1.1684	0.6295
TG(18:1_12:0_18:2)+NH4	1.1351	0.7027
TG(18:1_12:1_14:0)+NH4	1.1334	0.7066
TG(18:1_14:0_18:2)+NH4	1.0199	0.9562
TG(18:1_17:1_18:1)+NH4	1.1633	0.6407
TG(18:1_17:1_18:2)+NH4	1.0357	0.9215
TG(18:1_18:1_18:0)+NH4	1.1098	0.7584
TG(18:1_18:1_20:4)+NH4	0.9809	1.0421
TG(18:1_18:1_22:0)+NH4	1.0556	0.8776
TG(18:1_18:1_22:6)+NH4	0.8968	1.2270
TG(18:1_18:1_24:0)+NH4	1.1144	0.7484
TG(18:1_18:2_18:3)+NH4	1.0091	0.9800
TG(18:1_18:2_20:4)+NH4	0.9547	1.0996
TG(18:1_18:2_22:0)+NH4	1.1163	0.7442
TG(18:1_18:2_22:1)+NH4	1.0975	0.7856
TG(18:1_18:2_22:6)+NH4	0.9946	1.0118
TG(18:1_18:2_23:1)+NH4	1.0689	0.8485
TG(18:1_18:2_24:0)+NH4	1.0457	0.8995
TG(18:1_20:3_22:4)+NH4	1.2218	0.5120
TG(18:1_20:4_22:2)+NH4	1.0008	0.9983
TG(18:1_22:4_22:5)+NH4	0.9568	1.0951
TG(18:1_22:4_22:6)+NH4	1.0211	0.9536
TG(18:1_22:6_22:6)+NH4	0.9332	1.1470
TG(18:1e_16:0_18:1)+NH4	0.9801	1.0439
TG(18:1e_16:0_18:2)+NH4	0.9528	1.1038
TG(18:2_13:0_18:2)+NH4	1.2029	0.5537
TG(18:2_14:1_20:4)+NH4	1.2042	0.5508
TG(18:2_14:3_18:2)+NH4	0.9885	1.0254
TG(18:2_17:1_18:2)+NH4	1.0315	0.9306
TG(18:2_17:1_20:4)+NH4	1.0374	0.9178
TG(18:2_18:2_20:4)+NH4	0.9912	1.0194
TG(18:2_18:2_22:6)+NH4	0.9454	1.1202
TG(18:2_18:2_23:0)+NH4	0.9203	1.1754
TG(18:2_20:4_22:6)+NH4	1.0346	0.9239
TG(18:2e_16:0_18:1)+NH4	1.1051	0.7689
TG(18:3_12:1_18:2)+NH4	1.0526	0.8843
TG(18:3_14:1_18:2)+NH4	1.1600	0.6479
TG(18:3_18:2_18:2)+NH4	1.0057	0.9875
TG(18:3_18:2_20:4)+NH4	1.0704	0.8450
TG(18:3_18:2_20:5)+NH4	1.1227	0.7301
TG(18:3_18:2_22:6)+NH4	0.9680	1.0704
TG(19:1_14:1_19:0)+NH4	1.0601	0.8678
TG(19:1_16:0_18:1)+NH4	1.0944	0.7924
TG(19:1_18:0_18:1)+NH4	1.1189	0.7384
TG(19:1_18:2_18:3)+NH4	1.0427	0.9061
TG(20:0_18:1_18:1)+NH4	1.1467	0.6772
TG(20:0e_18:1_18:1)+NH4	1.0759	0.8330
TG(20:1_18:1_18:1)+NH4	1.0770	0.8306
TG(20:1_18:1_18:2)+NH4	1.0094	0.9794
TG(20:4_20:4_22:6)+NH4	1.0174	0.9617
TG(20:5_18:2_22:6)+NH4	0.9873	1.0278
TG(22:4_20:4_20:4)+NH4	1.0258	0.9433
TG(22:5_18:2_20:4)+NH4	0.9708	1.0642
TG(24:0_18:2_18:2)+NH4	0.9789	1.0464
TG(25:0_16:1_18:1)+NH4	1.0560	0.8768
TG(25:0_18:1_18:2)+NH4	1.0375	0.9175
TG(26:0_18:1_18:1)+NH4	1.0522	0.8851
TG(26:0_18:1_18:2)+NH4	1.0376	0.9172
TG(26:1_18:1_18:2)+NH4	1.0855	0.8119
TG(29:0)+NH4	1.0142	0.9689
TG(33:2)+NH4	0.8231	1.3892
TG(39:0)+NH4	1.0397	0.9126
TG(4:0_16:0_16:0)+NH4	1.0732	0.8390
TG(4:0_16:0_16:1)+NH4	1.3341	0.2984
TG(4:0_16:0_18:2)+NH4	1.2553	0.3618
TG(40:4)+NH4	1.0336	0.9261
TG(6:0_10:3_10:4)+NH4	1.0724	0.8407
TG(6:0_18:1_18:2)+NH4	1.3252	0.2845
TG(9:0_14:0_18:1)+NH4	1.0320	0.9297

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Factors:

F1	Group:Control
F2	Group:Risk