Data for (Study ST002505)

(Analysis AN004126)

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

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

Metabolite	F1	F2
10-deacetylbaccatin iii	0.5538	1.4462
10-formyl-7,8-dihydrofolic acid	0.8343	1.1657
1-[1-(1-methylcyclooctyl)-4-piperidinyl]-2-[(3r)-3-piperidinyl]-1h-benzimidazole	0.8679	1.1321
1-(1z-hexadecenyl)-sn-glycero-3-phosphocholine	0.9039	1.0961
1-(1z-octadecenyl)-2-(4z,7z,10z,13z,16z,19z-docosahexaenoyl)-sn-glycero-3-phosphocholine	0.9353	1.0647
1-(1z-octadecenyl)-2-(5z,8z,11z,14z-eicosatetraenoyl)-sn-glycero-3-phosphocholine	0.7682	1.2318
1-(1z-octadecenyl)-sn-glycero-3-phosphocholine	0.7053	1.2947
1,2,3-Benzenetriol	0.8347	1.1653
1,2-bis(heptanoylthio) glycerophosphocholine	1.2430	0.7570
1,2-diamino-2-methylpropane	1.0516	0.9484
1,2-dilinoleoylglycerol	0.9911	1.0089
1,2-dimyristoyl-sn-glycero-3-phosphate	0.6751	1.3249
1,2-dioleoyl-sn-glycero-3-phosphatidylcholine	0.7559	1.2441
1,2-dioleoyl-sn-glycero-3-phospho-(1^-myo-inositol)	0.8086	1.1914
1,2-dioleoyl-sn-glycerol	0.7930	1.2070
1,2-dipalmitoleoyl-sn-glycero-3-phosphocholine	1.0841	0.9159
1,2-dipentadecanoyl-sn-glycero-3-phosphocholine	0.7852	1.2148
1,2-ditetradecanoyl-sn-glycero-3-phosphocholine	0.9220	1.0780
1,2-dithiolane-3-pentanamide, n,n^-1,3-propanediylbis-	0.9863	1.0137
1-(2-pyridinyl)-4-piperidinylamine	1.0827	0.9173
1,3,4,6-tetra-o-acetyl-.beta.-d-mannopyranose	1.0626	0.9374
1-(3-chlorophenyl)piperazine	1.3213	0.6787
1,3-diphenylguanidine	0.3036	1.6964
1,3-propanediol, 2-amino-2-[2-[4-[[6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexyl]oxy]phenyl]ethyl]-	0.8821	1.1179
1-[(4-chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]-.alpha.,.alpha.- dimethyl-5-(1-methylethyl)-1h-indole-2-propanoic acid	0.7401	1.2599
1-(4-piperidinyl)-1,3-dihydro-2h-indol-2-one	0.6859	1.3141
15-deoxy-goyazensolide	0.9129	1.0871
15(s)-15-methylprostaglandin e1	1.1585	0.8415
15(s)-15-methylprostaglandin f2.alpha. ethylamide	1.0481	0.9519
16-oxocafestol	0.9189	1.0811
17alpha-ethynylestradiol	1.1750	0.8250
17-trifluoromethylphenyltrinorprostaglandin f2.alpha. isopropyl ester	1.0360	0.9640
17-trifluoromethylphenyltrinorprostaglandin f2.alpha. methyl ester	0.9966	1.0034
19-noretiocholanolone glucuronide	0.9114	1.0886
1-Aminocyclopropanecarboxylic acid	0.9389	1.0611
1-decanoyl-2-hydroxy-sn-glycero-3-phosphocholine	0.8710	1.1290
1-Eicosatrienoyl-sn-glycero-3-phosphoethanolamine	0.8950	1.1050
1-ethyl-4-(4-piperidinyl)piperazine	1.0075	0.9925
1-heptadecanoyl-sn-glycero-3-phosphocholine	0.8636	1.1364
1-hexadecanoyl-2-octadecadienoyl-sn-glycero-3-phosphocholine	0.9493	1.0507
1-hexadecanoyl-2-sn-glycero-3-phosphate	0.7129	1.2871
1-hexadecyl-2-(5z,8z,11z,14z-eicosatetraenoyl)-sn-glycero-3-phosphocholine	1.0493	0.9507
1-hexadecyl-2-(8z,11z,14z-eicosatrienoyl)-sn-glycero-3-phosphocholine	0.8230	1.1770
1-hexadecyl-2-(9z-octadecenoyl)-sn-glycero-3-phosphocholine	0.8928	1.1072
1-hexadecyl-2-azelaoyl-sn-glycero-3-phosphocholine	0.8187	1.1813
1-hexadecylamine	1.0983	0.9017
1-hexadecyl-sn-glycero-3-phosphocholine	0.6952	1.3048
1h-indazole-4-carboxamide, n-[(1,2-dihydro-6-methyl-2-oxo-4-propyl-3-pyridinyl)methyl]-1-(1-methylethyl)-6-[2-(4-methyl-1-piperazinyl)-4-pyridinyl]-	1.1539	0.8461
1h-indazole-4-carboxamide, n- [(1,2-dihydro-6-methyl-2-oxo-4-propyl-3-pyridinyl)methyl]- 1-(1-methylethyl)-6-[6-[4-(1-methylethyl)-1-piperazinyl]-3- pyridinyl]-	0.5545	1.4455
1h-indole-1-pentanoic acid, 3-[2-(2-chlorophenyl)acetyl]-	1.0356	0.9644
1h-indole-5-sulfonamide, n-(3-chlorophenyl)-3-[[3,5-dimethyl-4-[(4-methyl-1-piperazinyl)carbonyl]-1h-pyrrol-2-yl]methylene]-2,3-dihydro-n-methyl-2-oxo-, (3z)-	1.2816	0.7184
1-methyladenosine	1.1990	0.8010
1-methylhistidine	0.8306	1.1694
1-methyl-l-histidine	0.7481	1.2519
1-myristoyl-sn-glycero-3-phosphocholine	1.0847	0.9153
1-octadecyl-2-acetyl-sn-glycero-3-phosphocholine	1.0128	0.9872
1-o-hexadecyl-2-deoxy-2-thio-s-acetyl-sn-glyceryl-3-phosphorylcholine	0.9853	1.0147
1-o-hexadecyl-2-o-(2e-butenoyl)-sn-glyceryl-3-phosphocholine	0.8253	1.1747
1-oleoyl-2-myristoyl-sn-glycero-3-phosphocholine	0.9689	1.0311
1-oleoyl-sn-glycero-3-phosphocholine	1.0391	0.9609
1-oleoyl-sn-glycero-3-phosphoethanolamine	1.0629	0.9371
1-o-octadecyl-sn-glyceryl-3-phosphorylcholine	0.8245	1.1755
1-palmitoyl-2-arachidonoyl-sn-glycero-3-phosphoserine	0.7689	1.2311
1-palmitoyl-2-azelaoylphosphatidylcholine	0.9297	1.0703
1-palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine	1.1332	0.8668
1-palmitoyl-2-glutaryl phosphatidylcholine	0.7122	1.2878
1-palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine	1.1035	0.8965
1-palmitoyl-2-lauroyl-sn-glycero-3-phosphorylcholine	0.8699	1.1301
1-palmitoyl-2-myristoyl-sn-glycero-3-phosphocholine	0.8136	1.1864
1-palmitoyl-2-oleoyl-3-linoleoyl-rac-glycerol	0.8390	1.1610
1-palmitoyl-2-oleoyl-sn-glycerol	0.8834	1.1166
1-palmitoyl-2-stearoyl-sn-glycero-3-phosphocholine	0.8653	1.1347
1-Palmitoylglycerol	0.9060	1.0940
1-Palmitoyllysophosphatidylcholine	0.9535	1.0465
1-palmitoyl-sn-glycero-3-phosphocholine	1.0902	0.9098
1-pentadecanoyl-sn-glycero-3-phosphocholine	1.2075	0.7925
1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-(1^-myo-inositol)	0.8847	1.1153
1-stearoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine	0.9210	1.0790
1-stearoyl-2-docosahexaenoyl-sn-glycerol	0.8641	1.1359
1-stearoyl-2-hydroxy-sn-glycero-3-phosphocholine	1.1652	0.8348
1-stearoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine	1.0545	0.9455
1-Stearoyl-2-oleoyl-sn-glycerol 3-phosphocholine (SOPC)	1.0270	0.9730
1-stearoyl-rac-glycerol	1.0006	0.9994
1-Stearoyl-sn-glycerol 3-phosphocholine	1.1271	0.8729
21-deacetoxy-11-oxodeflazacort-3,20-hydrazinecarboxamide	0.9497	1.0503
2(1H)-Pyridinone	1.0359	0.9641
2,2,6,6-tetramethyl-4 piperidone	1.0377	0.9623
2,2-bis[hydroxymethyl]-2,2^,2^^-nitrilotriethanol	1.9299	0.0701
2,3,9,10,11,12-hexahydro-10s-hydroxy-9-methyl-1-oxo-9r,12s-epoxy-1h-diindolo[1,2,3-fg:3^,2^,1^-kl]pyrrolo[3,4-i][1,6]benzodiazocine-10-carboxylic acid, hexyl ester	0.7687	1.2313
2^,3^-dideoxyadenosine	0.9311	1.0689
2,3-dinor-8-isoprostaglandin-f2.alpha.	1.0140	0.9860
2,4,6-tri-tert-butylaniline	0.9219	1.0781
2^,4^-Dihydroxyacetophenone	0.7807	1.2193
2,4-thiazolidinedione, 3-(2-aminoethyl)-5-[(4-ethoxyphenyl)methylene]-	1.0311	0.9689
2-(5-oxovaleryl)phosphatidylcholine	0.8389	1.1611
2,6-di-tert-butyl-4-hydroxymethylphenol	0.9540	1.0460
2-[[7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol	0.9905	1.0095
2-acetamido-2-deoxy-3-o-(.beta.-d-galactopyranosyl)-d-glucopyranose	0.9519	1.0481
2-alahhda [dmed-fahfa]	0.7685	1.2315
2-amino-1-phenylethanol	0.4791	1.5209
2-Amino-2-methyl-1,3-propanediol	0.8652	1.1348
2-arachidonoylglycerol	0.9021	1.0979
2-benzothiazolsulfonic acid	0.9513	1.0487
2-butenamide, n-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3s)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-	0.8491	1.1509
2-butylaniline	0.6823	1.3177
2-dhahma [dmed-fahfa]	0.9539	1.0461
2-docosahexaenoyl-1-stearoyl-sn-glycero-3-phosphoserine	0.7900	1.2100
(2e,4e)-hexa-2,4-dienoic acid	0.9762	1.0238
2-epahpa [dmed-fahfa]	0.7224	1.2776
2-epahpda [dmed-fahfa]	0.9470	1.0530
2^-fucosyllactose	0.7545	1.2455
2-hexadecanoylthio-1-ethylphosphorylcholine	0.8745	1.1255
2-hydroxy-4-methylbenzoic acid	1.1171	0.8829
2-hydroxyacetophenone	0.9686	1.0314
2-Hydroxyadenine	0.8945	1.1055
2-hydroxybenzyl alcohol	0.6980	1.3020
2-hydroxyphenethyl alcohol	1.3534	0.6466
2-Methoxybenzoic acid	0.7421	1.2579
2-methylamino-1-phenylbutane	1.0485	0.9515
2-methylbutyryl-l-carnitine	0.4322	1.5678
2-methylindole	0.8196	1.1804
2-(n-ethyl-n-m-toluidino)ethanol	1.0341	0.9659
2-(n-morpholino)ethanesulfonic acid	0.8973	1.1027
2-oleoyl-1-palmitoyl-sn-glycero-3-phosphocholine	0.8843	1.1157
2-oleoyl-1-stearoyl-sn-glycero-3-phosphoserine	1.0291	0.9709
2^-o-methyladenosine	1.2450	0.7550
2^-o-methylcytidine	1.4007	0.5993
2-o-rhamnosylvitexin	1.1184	0.8816
2-oxiraneacetic acid, 3-phenyl-, cyano(6-methoxy-2-naphthalenyl)methyl ester	0.7075	1.2925
2-palmitoyl-rac-glycerol	1.0147	0.9853
2-piperidinecarboxylic acid, 1-(3,3-dimethyl-1,2-dioxopentyl)-, (1r)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl ester, (2s)-	1.0221	0.9779
2-pivaloyl-1,3-indandione	1.1488	0.8512
(2r,3s,4s,5r,6r)-2-[[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[4-(4-hydroxyphenyl)butan-2-yloxy]oxane-3,4,5-triol	0.8262	1.1738
(2r,3s,4s,5r,6r)-5-[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4-diol	1.0988	0.9012
(2r,3s,4s,5r,6r)-6-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-5-[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol	0.8697	1.1303
(2s,3r,4s,5s,6r)-2-[(2r,3r,4s,5s,6r)-2-[[(3s,6s,8r,10r,12r,13r,14r,17s)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2s)-6-methyl-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol	0.9270	1.0730
(2s,3s)-3,5,7-trihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one	0.9862	1.0138
2-sdahma [dmed-fahfa]	0.9079	1.0921
2-sdahpda [dmed-fahfa]	0.8962	1.1038
3-[1-[3-(dimethylamino)propyl]-5-methoxy-1h-indol-3-yl]-4-(1h-indol-3-yl)-1h-pyrrole-2,5-dione	1.0496	0.9504
3-(1h-indol-3-ylmethyl)-6,18-dimethyl-12-(1-phenylethyl)-9,15-di(propan-2-yl)-1,4,7,10,13,16,19-heptazacyclotricosane-2,5,8,11,14,17,20-heptone	1.2223	0.7777
3-(2-Hydroxyethyl)indole	0.9507	1.0493
3,5,9-trioxa-4-phosphatetracosan-1-aminium, 7-(acetyloxy)-24-carboxy-4-hydroxy-n,n,n-trimethyl-, inner salt, 4-oxide, (r)-	0.7655	1.2345
3^,5^-cyclic damp	0.9629	1.0371
3,6,9,12-tetraoxatetracosan-1-ol	0.9023	1.0977
3-acetoxypyridine	0.9936	1.0064
3-alahpda [dmed-fahfa]	0.8605	1.1395
3-amino-2-(4-chlorophenyl)-2-hydroxypropanesulfonic acid	1.0967	0.9033
3-aminoquinoline	0.8004	1.1996
3-deacetylsalannin	1.0583	0.9417
3-epilupeol	1.0513	0.9487
3-hydroxyanthranilic acid	0.8497	1.1503
3-hydroxyhexadecanoylcarnitine	0.9332	1.0668
3-hydroxyisovaleric acid	1.1700	0.8300
3-Hydroxykynurenine	1.0151	0.9849
3-hydroxypyridine	0.7657	1.2343
3-methoxyprostaglandin f1.alpha.	0.9290	1.0710
3-methyl-2-buten-1-ol	1.0787	0.9213
3^-O-methyladenosine	0.8347	1.1653
3^-o-methylguanosine	1.6467	0.3533
(3r,5r,6r,7s,9s,10r,13r,17r)-17-((r)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,6,7-triyl triacetate	1.1213	0.8787
3^-sialyllactose	1.3735	0.6265
(3s)-vestitol	1.7142	0.2858
3-ureidopropionic acid	1.2342	0.7658
4-(1-piperazinyl)-1h-indole	0.6818	1.3182
4,4-dimethyl-l-glutamic acid	0.9228	1.0772
4-acetamidobutanoate	1.3998	0.6002
4-acetoxy-n,n-diisopropyltryptamine	0.6692	1.3308
4-Aminobutyric acid(GABA)	0.9777	1.0223
4-androsten-17.beta.-ol-3-one glucosiduronate	0.8706	1.1294
(4ar,5r,6as,6br,10s,12ar)-10-[(2r,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid	0.9853	1.0147
4^-benzyloxycarvedilol	1.1611	0.8389
4-deoxypyridoxine	1.5784	0.4216
4-fluoro-.alpha.-pyrrolidinobutiophenone	0.9645	1.0355
4-fluoroamphetamine	0.9806	1.0194
4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-4-acetamide, 6-(4-chlorophenyl)-n-ethyl-8-methoxy-1-methyl-, (4s)-	0.7817	1.2183
4-Hexen-1-ol, (E)-	0.8296	1.1704
4-hydroxy-1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidine	0.9556	1.0444
4-hydroxy-3-methoxyphenethyl alcohol	0.9897	1.0103
4-hydroxydebrisoquine	0.8349	1.1651
4-hydroxy-l-isoleucine	1.1139	0.8861
4-imidazoleacrylic acid	0.8619	1.1381
4-ketopimelic acid	0.9697	1.0303
4-(methylamino)-4-(3-pyridyl)butyric acid	1.1109	0.8891
4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone	0.6797	1.3203
4-methylumbelliferyl .beta.-d-glucuronide	1.1376	0.8624
4^-o-.beta.-d-glucosyl-5-o-methylvisamminol	1.0206	0.9794
4-picoline	1.6359	0.3641
5-(2-hydroxyethyl)-4-methylthiazole	0.8050	1.1950
5-[[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentanoic acid	1.1291	0.8709
[5-acetyloxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] 3-methylpentanoate	1.1930	0.8070
5-aminovaleric acid	0.6696	1.3304
5-aminovaleric acid betaine	0.8870	1.1130
5-azacytidine	0.9493	1.0507
5^-Deoxyadenosine	0.8125	1.1875
5-fluorocytidine	1.2195	0.7805
5-hydroxy-3-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one	1.1201	0.8799
5-hydroxydopamine	0.6691	1.3309
5-hydroxyindoleacetate	1.4839	0.5161
5-L-Glutamyl-L-alanine	1.1951	0.8049
5-methylbenzotriazole	1.3294	0.6706
5-methylcytidine	0.9118	1.0882
5s,12r-dihydroxy-6z,8e,10e,14z-eicosatetraene-1,20-dioic acid	0.7584	1.2416
5(s),14(r)-lipoxin b4	1.0922	0.9078
6-Benzylaminopurine	0.8282	1.1718
6-formylpterin	0.8631	1.1369
6h-dibenzo[b,d]pyran, 3-(1,1-dimethylheptyl)-6a,7,10,10a-tetrahydro-1-methoxy-6,6,9-trimethyl-, (6ar,10ar)-	1.1810	0.8190
6-sialylgalactose	0.5064	1.4936
7,8-dihydrobiopterin	1.0229	0.9771
7,8-dihydro-l-biopterin	1.0470	0.9530
7.alpha.,17.alpha.-dimethyl-5.beta.-androstane-3.alpha.,17.beta.-diol glucuronide	0.9823	1.0177
7-benzyl-11,14,20-trimethyl-16-(2-methylpropyl)-10,13-di(propan-2-yl)-17-oxa-1,5,8,11,14-pentazabicyclo[17.3.0]docosane-2,6,9,12,15,18-hexone	1.2141	0.7859
7-Methylguanosine	1.1721	0.8279
7-(triethylsilyl)-10-deacetylbaccatin iii	0.3678	1.6322
(+-)8,9-DHET	0.9016	1.0984
8-iso-prostaglandin a2-biotin	0.5832	1.4168
Acadesine (drug)	0.9067	1.0933
AcCa(12:0)+H	0.7529	1.2471
AcCa(12:1)+H	0.6039	1.3961
AcCa(13:0)+H	0.7941	1.2059
AcCa(14:0)+H	0.7772	1.2228
AcCa(14:1)+H	0.8365	1.1635
AcCa(15:0)+H	0.8681	1.1319
AcCa(16:0)+H	0.8472	1.1528
AcCa(16:1)+H	0.7361	1.2639
AcCa(17:0)+H	0.8890	1.1110
AcCa(17:1)+H	0.7689	1.2311
AcCa(18:0)+H	1.0090	0.9910
AcCa(18:1)+H	0.8486	1.1514
AcCa(18:2)+H	0.8263	1.1737
AcCa(20:0)+H	1.2432	0.7568
AcCa(20:1)+H	1.1056	0.8944
AcCa(22:0)+H	1.0733	0.9267
AcCa(22:1)+H	1.1888	0.8112
AcCa(24:0)+H	0.9907	1.0093
AcCa(24:1)+H	0.9663	1.0337
AcCa(24:2)+H	1.2724	0.7276
Acetohexamide	1.3634	0.6366
Acetylcarnitine	0.8941	1.1059
Acetylcholine	0.8222	1.1778
Acetyl coenzyme a	1.1499	0.8501
Adenine	1.3652	0.6348
Adenosine	1.4042	0.5958
Adenosine 3^,5^-cyclic phosphate (cAMP)	1.3217	0.6783
Adenosine 3^,5^-diphosphate (PAP)	1.5260	0.4740
Adenosine 5^-monophosphate	0.5629	1.4371
Adenosine 5^-triphosphate (atp)	1.0443	0.9557
Adenosine monophosphate (AMP)	0.5444	1.4556
Adp-ribose	1.1759	0.8241
Aflatoxin g2	1.3821	0.6179
Agmatine	1.0650	0.9350
Ala-Ala	0.4455	1.5545
Ala-Arg	1.2081	0.7919
Ala-Gln	0.4388	1.5612
Ala-Glu-Arg	0.9652	1.0348
Ala-Leu-Arg	0.8470	1.1530
Ala-Phe-Arg	0.8796	1.1204
Ala-Pro	0.9039	1.0961
Albiflorin	0.9763	1.0237
Alfentanyl	0.8000	1.2000
Allantoin	1.0686	0.9314
Allocystathionine	0.6748	1.3252
.alpha.-cyperone	1.6091	0.3909
.alpha.-guanidinoglutaric acid	1.6725	0.3275
alpha-Guanidinoglutaric Acid	0.8941	1.1059
.alpha.-L-Glu-Gly	0.6717	1.3283
.alpha.-L-Glu-L-Asp	0.9199	1.0801
.alpha.-L-Glu-L-Tyr	0.6907	1.3093
.alpha.-methyltryptamine	0.9826	1.0174
.alpha.-tocopherol nicotinate	0.8237	1.1763
Amikacin	0.5992	1.4008
Amphetamine	0.8751	1.1249
Ampicillin	1.5017	0.4983
Amygdalin	0.9737	1.0263
Androstan-3-ol-17-one 3-glucuronide	1.1615	0.8385
Androsterone glucuronide	0.7684	1.2316
Angeloylgomisin h	0.8928	1.1072
Angiotensin iii	0.8655	1.1345
Aniline	1.4700	0.5300
Anserine	0.9859	1.0141
Arachidonoylglycine	1.3566	0.6434
Arachidoyl ethanolamide	1.2562	0.7438
Arctiin	0.8047	1.1953
Arenobufagin	0.7820	1.2180
Arg-Ala	0.7952	1.2048
Arg-Asn	0.9920	1.0080
Arg-asp	1.0393	0.9607
Arg-glu	0.9315	1.0685
Arginine	0.7377	1.2623
Argininosuccinic acid	0.6442	1.3558
Arg-Leu	0.7795	1.2205
Arg-Met	0.9961	1.0039
Arg-Ser	1.0958	0.9042
Arg-Thr	0.9368	1.0632
Arg-Tyr	0.8887	1.1113
Arg-Val	0.9853	1.0147
Artemisinin	1.0230	0.9770
Ascomycin	1.1149	0.8851
Asn-Ala-Arg	0.7859	1.2141
Asn-Asn-Arg	0.9090	1.0910
Asn-Asp	0.9072	1.0928
Asn-Gln-Lys	0.7619	1.2381
Asn-Lys-Lys	1.2592	0.7408
Asn-Phe-Lys	0.8837	1.1163
Asn-Pro-Arg	0.9263	1.0737
Asp-Arg	0.7437	1.2563
Aspartame	0.5342	1.4658
Asp-Asp	0.9957	1.0043
Asp-Glu-Arg	0.9160	1.0840
Asp-Ile-Arg	1.0266	0.9734
Asp-Pro-Arg	1.0514	0.9486
Asp-Pro-Lys	1.0134	0.9866
Astemizole	0.7786	1.2214
Astragalin	1.3280	0.6720
Astrasieversianin xv	0.8923	1.1077
Atazanavir	1.3770	0.6230
Atorvastatin	1.1454	0.8546
Avocadyne acetate	0.7110	1.2890
Azocyclotin	0.8642	1.1358
Baccatin iii	1.1798	0.8202
Bacoside x	0.9172	1.0828
Batimastat	0.9861	1.0139
Beclomethasone	0.9778	1.0222
Bendiocarb	1.3590	0.6410
Benzalkonium chloride (c12)	1.1696	0.8304
Benzamide, n-[2-(dimethylamino)ethyl]-n-methyl-4-[[[[4-[4-(4-morpholinyl)-7-(2,2,2-trifluoroethyl)-7h-pyrrolo[2,3-d]pyrimidin-2-yl]phenyl]amino]carbonyl]amino]-	0.7081	1.2919
Benzeneacetamide, n-[[[4-(5,9-diethoxy-6,8-dihydro-6-oxo-7h-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methyl]sulfonyl]-2-methoxy-	0.6642	1.3358
Benzenebutanamide, n-(4-oxo-4h-3,1-benzothiazin-2-yl)-	1.1883	0.8117
Benzenepropanamide, n-(6-chloro-2-benzothiazolyl)-3,4-dimethoxy-	0.4612	1.5388
Benzenesulfonamide, 2-methoxy-n-(1,2,3,4-tetrahydro-3-methyl-2-oxo-6-quinazolinyl)-	0.3371	1.6629
Benzo[h]-1,6-naphthyridin-2(1h)-one, 1-[4-[4-(1-oxopropyl)-1-piperazinyl]-3-(trifluoromethyl)phenyl]-9-(3-quinolinyl)-	1.6277	0.3723
Benzoic acid	0.6755	1.3245
Benzoic acid, 4-[[(2,4-diamino-7,8-dihydro-7-oxo-6-pteridinyl)methyl]methylamino]-, methyl ester	0.9808	1.0192
Benzoylhypaconine	0.6736	1.3264
Benzoyl-phe-Ala-arg	0.8940	1.1060
Benzyl alcohol	0.9933	1.0067
Benzylphosphonic acid	1.1678	0.8322
Bestatin	0.8803	1.1197
.beta.-carboline-1-propionic acid	1.1688	0.8312
.beta.-chloro-d-alanine	1.1035	0.8965
Beta-estradiol	0.7411	1.2589
.beta.-estradiol 17-valerate	1.0408	0.9592
.beta.-homoproline	0.5677	1.4323
Beta-hydroxybutyrate	0.9469	1.0531
Betaine	1.3056	0.6944
.beta.-nicotinamide adenine dinucleotide phosphate	0.9883	1.0117
.beta.-nicotinamide adenine dinucleotide, reduced(NADH)	1.5703	0.4297
beta-Nicotinamide D-ribonucleotide	0.8909	1.1091
Bicuculline	0.6669	1.3331
Bifenthrin	1.0181	0.9819
Bilirubin	1.0342	0.9658
Biliverdin	0.8493	1.1507
Biopterin	0.8080	1.1920
Bis(2,2,6,6-tetramethyl-4-piperidyl) sebacate	0.5738	1.4262
Blood group a trisaccharide	1.0527	0.9473
Blood group h disaccharide	1.3592	0.6408
Blood group h trisaccharide	0.9231	1.0769
Bombesin	0.8440	1.1560
Bosutinib	0.7863	1.2137
Brompheniramine	1.0600	0.9400
Bulleyaconi cine a	0.6759	1.3241
Butafenacil	0.5083	1.4917
Butyl 4-hydroxybenzoate	1.0008	0.9992
C17-sphinganine	1.1741	0.8259
Cabergoline	0.7415	1.2585
Caffeine	0.6364	1.3636
Candesartan cilexetil	1.2867	0.7133
Capsaicin	1.1090	0.8910
Captopril	0.8948	1.1052
Carnitine	0.7101	1.2899
Catechin pentaacetate	0.9328	1.0672
Celastrol	1.0488	0.9512
Cellobiose	1.3547	0.6453
Cephalothin	0.7952	1.2048
Cer(d12:0_18:0+O)+H	0.9703	1.0297
Cer(d12:0_20:3)+H	0.9667	1.0333
Cer(d14:0_18:0+O)+H	0.9167	1.0833
Cer(d16:0_16:0)+H	0.9295	1.0705
Cer(d16:0_17:0+O)+H	0.7824	1.2176
Cer(d16:0_18:0+O)+H	0.8669	1.1331
Cer(d16:0_18:1)+H	0.9253	1.0747
Cer(d16:0_18:2)+H	0.8730	1.1270
Cer(d16:0_20:0+O)+H	0.8724	1.1276
Cer(d17:1_22:0)+H	0.9977	1.0023
Cer(d17:1_23:3)+H	1.0176	0.9824
Cer(d17:1_24:0+O)+H	0.9252	1.0748
Cer(d18:0_16:0)+H	1.0017	0.9983
Cer(d18:0_19:0)+H	0.9319	1.0681
Cer(d18:0_22:0)+H	1.0437	0.9563
Cer(d18:0_24:0)+H	0.9470	1.0530
Cer(d18:0_24:1)+H	0.9426	1.0574
Cer(d18:0_25:0)+H	1.2106	0.7894
Cer(d18:1_16:0)+H	0.6302	1.3698
Cer(d18:1_16:1)+H	0.7056	1.2944
Cer(d18:1_22:0)+H	0.8376	1.1624
Cer(d18:1_22:2)+H	0.9824	1.0176
Cer(d18:1_23:2)+H	0.8374	1.1626
Cer(d18:1_23:3)+H	0.8996	1.1004
Cer(d18:1_24:0)+H	0.7690	1.2310
Cer(d18:1_24:0+O)+H	0.9434	1.0566
Cer(d18:1_24:1)+H	0.5566	1.4434
Cer(d18:1_24:2)+H	0.9973	1.0027
Cer(d18:1_25:3)+H	0.8758	1.1242
Cer(d18:1_26:4)+H	0.9480	1.0520
Cer(d18:1_26:5)+H	0.9138	1.0862
Cer(d18:2_16:0+2O)+NH4	1.3210	0.6790
Cer(d18:2_16:1+2O)+NH4	0.8949	1.1051
Cer(d18:2_16:1)+H	0.9805	1.0195
Cer(d18:2_18:1+2O)+NH4	0.9215	1.0785
Cer(d18:2_18:2+2O)+NH4	0.8465	1.1535
Cer(d18:2_22:0)+H	0.8711	1.1289
Cer(d18:2_24:1)+H	0.7913	1.2087
Cer(d19:1_23:3)+H	0.9836	1.0164
Cer(d19:2_24:1)+H	0.9867	1.0133
Cer(d20:0_18:0)+H	0.8250	1.1750
Cer(d20:0_24:0)+H	1.1970	0.8030
Cer(d20:1_24:0)+H	1.2044	0.7956
Cer(d20:1_24:1)+H	1.0536	0.9464
Cer(d20:2_16:0+2O)+NH4	1.0836	0.9164
Cer(d20:2_16:1+2O)+NH4	0.9118	1.0882
Cer(d20:2_18:2+2O)+NH4	1.0084	0.9916
Cer(d20:2_26:0)+H	1.0198	0.9802
Cer(d22:1_16:0)+H	0.7992	1.2008
Cer(d23:2_18:0+2O)+H	0.9884	1.0116
Cer(d24:0_18:0+2O)+H	0.9384	1.0616
Cer(d26:0)+H	0.9764	1.0236
Cer(d28:0)+H	0.8703	1.1297
Cer(d30:0)+H	0.8323	1.1677
Cer(d30:1)+H	0.9250	1.0750
Cer(d31:0)+H	0.7965	1.2035
Cer(d32:1)+H	0.9117	1.0883
Cer(d32:1)+H-H2O	0.9679	1.0321
Cer(d33:0)+H	0.8425	1.1575
Cer(d33:1)+H-H2O	0.8968	1.1032
Cer(d33:4+O)+H	0.8974	1.1026
Cer(d34:2)+H-H2O	0.8004	1.1996
Cer(d36:0)+H	0.8345	1.1655
Cer(d36:1)+H-H2O	0.8649	1.1351
Cer(d36:2)+H-H2O	1.1858	0.8142
Cer(d36:3+2O)+NH4	0.7133	1.2867
Cer(d36:4)+H	0.9571	1.0429
Cer(d38:3+2O)+NH4	0.7333	1.2667
Cer(d43:4)+H	1.2285	0.7715
Cer(d43:5)+H	0.9032	1.0968
Cer(d44:2)+H-H2O	0.9639	1.0361
Cer(d44:5)+H	0.9486	1.0514
Cer(d45:6)+H	0.7966	1.2034
Cer(d45:7)+H-H2O	1.0129	0.9871
Cer(d46:5)+H	1.1070	0.8930
Cer(d46:6)+H	0.9558	1.0442
CerG2GNAc1(d34:1)+H	1.0898	0.9102
CerG2GNAc1(d40:1)+H	1.1675	0.8325
CerG2GNAc1(d41:1)+H	1.1781	0.8219
CerG2GNAc1(d42:0)+H	1.3224	0.6776
CerG2GNAc1(d42:1)+H	1.1352	0.8648
CerG2GNAc1(d42:2)+H	1.0735	0.9265
CerG2GNAc1(d44:1)+H	1.3319	0.6681
CerG2GNAc1(d44:2)+H	1.0793	0.9207
CerG2GNAc1(m40:2)+H	0.5907	1.4093
CerG2GNAc1(m42:0+O)+H	0.5588	1.4412
CerG2GNAc1(m42:2)+H	0.6069	1.3931
CerG2GNAc1(m42:3)+H	0.8079	1.1921
CerG2GNAc1(t34:0)+H-H2O	1.1040	0.8960
CerG2GNAc1(t41:0)+H-H2O	1.1875	0.8125
CerG3GNAc1(d32:1)+H	0.8325	1.1675
CerG3GNAc1(d34:2)+H	0.7956	1.2044
CerG3GNAc1(d40:1)+H	0.9120	1.0880
CerG3GNAc1(d42:2)+H	0.8635	1.1365
CerG3GNAc1(d44:1)+H	0.8926	1.1074
CerG3GNAc1(m42:2)+H	0.8286	1.1714
CerG3GNAc1(m42:3)+H	0.8810	1.1190
CerG3GNAc1(t32:0)+H-H2O	0.8284	1.1716
CerG3GNAc1(t33:0)+H-H2O	0.9262	1.0738
CerG3GNAc1(t34:0)+H-H2O	0.8162	1.1838
CerG3GNAc1(t34:0+O)+H-H2O	0.8910	1.1090
CerG3GNAc1(t34:1)+H-H2O	0.8039	1.1961
CerG3GNAc1(t40:0)+H-H2O	0.9120	1.0880
CerG3GNAc1(t41:0)+H-H2O	0.8983	1.1017
CerG3GNAc1(t42:0)+H-H2O	0.8257	1.1743
CerG3GNAc1(t42:1)+H-H2O	0.6902	1.3098
Cer(m17:0_21:2)+H	0.9201	1.0799
Cer(m17:0_21:3)+H	1.1223	0.8777
Cer(m17:0_22:3)+H	0.7637	1.2363
Cer(m17:0_24:0)+H	0.9783	1.0217
Cer(m17:1_15:1)+H	1.0244	0.9756
Cer(m17:1_22:0)+H	0.9563	1.0437
Cer(m17:1_24:0)+H	1.0245	0.9755
Cer(m18:0_16:0)+H	0.6379	1.3621
Cer(m18:0_18:0)+H	1.0576	0.9424
Cer(m18:0_20:0)+H	1.1296	0.8704
Cer(m18:0_21:2)+H	0.9360	1.0640
Cer(m18:0_22:0)+H	1.0207	0.9793
Cer(m18:1_16:0)+H	1.0846	0.9154
Cer(m18:1_18:0)+H	0.8788	1.1212
Cer(m18:1_20:0)+H	0.8741	1.1259
Cer(m18:1_22:0)+H	1.0338	0.9662
Cer(m18:1_24:0)+H	1.1027	0.8973
Cer(m18:1_24:0+O)+NH4	0.9854	1.0146
Cer(m18:1_25:0+O)+NH4	1.0153	0.9847
Cer(m18:1_26:0+O)+NH4	1.0465	0.9535
Cer(m19:0_18:2)+H	0.8407	1.1593
Cer(m19:0_21:2)+H	0.9258	1.0742
Cer(m19:0_21:3)+H	0.4200	1.5800
Cer(m19:0_22:2)+H	0.9139	1.0861
Cer(m19:0_22:3)+H	0.7367	1.2633
Cer(m19:0_23:2)+H	0.8520	1.1480
Cer(m19:0_23:3)+H	0.6112	1.3888
Cer(m19:0_24:0)+H	0.9394	1.0606
Cer(m19:0_24:2)+H	0.6495	1.3505
Cer(m19:0_24:3)+H	0.7629	1.2371
Cer(m19:0_25:2)+H	1.1530	0.8470
Cer(m19:0_25:3)+H	1.0708	0.9292
Cer(m19:1_15:1)+H	0.8095	1.1905
Cer(m19:1_21:2)+H	0.8859	1.1141
Cer(m19:1_21:3)+H	0.7649	1.2351
Cer(m19:1_22:2)+H	0.9249	1.0751
Cer(m19:1_22:3)+H	0.7110	1.2890
Cer(m19:1_23:3)+H	0.8450	1.1550
Cer(m19:1_23:4)+H	0.7421	1.2579
Cer(m19:1_24:3)+H	0.8528	1.1472
Cer(m19:1_25:3)+H	0.9321	1.0679
Cer(m20:0_23:3)+H	0.9304	1.0696
Cer(m20:0_24:0)+H	1.0205	0.9795
Cer(m20:0_24:1)+H	0.9785	1.0215
Cer(m20:1_16:1)+H	0.9760	1.0240
Cer(m20:1_18:1)+H	0.7359	1.2641
Cer(m21:0_23:2)+H	1.0338	0.9662
Cer(m21:0_24:2)+H	1.2667	0.7333
Cer(m21:0_24:3)+H	1.1398	0.8602
Cer(m21:0_25:2)+H	1.0919	0.9081
Cer(m33:0)+H-H2O	1.1474	0.8526
Cer(m33:1)+H-H2O	0.7253	1.2747
Cer(m35:1)+H-H2O	0.8466	1.1534
Cer(m38:5)+NH4	0.9457	1.0543
Cer(m39:1)+H-H2O	1.0644	0.9356
Cer(m41:1)+H-H2O	0.8333	1.1667
Cer(m41:1+O)+Na	0.9568	1.0432
Cer(m41:2+O)+Na	0.8816	1.1184
Cer(m45:6)+Na	0.9984	1.0016
CerP(d12:0_14:0)+H	0.9290	1.0710
CerP(d14:0_13:0)+H	0.9349	1.0651
CerP(d23:0_17:1)+H-H2O	0.8787	1.1213
CerP(d39:0+O)+NH4	1.0462	0.9538
CerP(d39:1+O)+NH4	0.9409	1.0591
CerP(d43:1+O)+NH4	1.1256	0.8744
CerP(m19:0_15:0)+H	0.6271	1.3729
CerP(m19:0_19:1)+H	0.8945	1.1055
CerP(m19:0_22:0+O)+H	0.9658	1.0342
CerP(m21:0_17:0)+H	0.9906	1.0094
CerP(m21:0_18:0)+H	1.0296	0.9704
CerP(m21:0_19:1)+H	0.9379	1.0621
CerP(t39:2)+NH4	1.0043	0.9957
CerP(t41:0)+NH4	0.7413	1.2587
CerP(t41:1)+NH4	0.8032	1.1968
CerP(t41:2)+NH4	1.1703	0.8297
CerP(t43:2)+NH4	1.0632	0.9368
Cer(t16:0_16:0)+H	0.8710	1.1290
Cer(t16:0_18:0)+H	0.8984	1.1016
Cer(t17:0_18:0+O)+H	0.8734	1.1266
Cer(t17:0_19:0+O)+H	0.8969	1.1031
Cer(t18:0_16:0)+H	1.0596	0.9404
Cer(t18:0_22:0)+H	1.0082	0.9918
Cer(t18:0_24:0)+H	0.9750	1.0250
Cer(t18:0_25:0)+H	1.0294	0.9706
Cer(t18:0_25:3)+H-H2O	0.9942	1.0058
Cer(t18:0_26:0)+H	1.0570	0.9430
Cer(t18:1_23:4)+H	1.0397	0.9603
Cer(t20:0_24:2)+H-H2O	1.0860	0.9140
Cer(t20:0_24:3)+H-H2O	0.9469	1.0531
Cer(t20:0_26:0+O)+H	1.0277	0.9723
Cer(t34:0+O)+NH4	0.8977	1.1023
Cer(t35:3+2O)+H-H2O	0.9308	1.0692
Cer(t35:4)+H	0.9095	1.0905
Cer(t36:0)+H	0.8335	1.1665
Cer(t36:1)+H	0.8962	1.1038
Cer(t42:6)+NH4	0.8651	1.1349
Cer(t43:6)+NH4	0.8238	1.1762
Chaetoglobosin c	1.2284	0.7716
ChE(14:0)+NH4	1.2558	0.7442
ChE(16:0)+NH4	1.0072	0.9928
ChE(16:1)+NH4	1.0365	0.9635
ChE(17:1)+NH4	0.9658	1.0342
ChE(18:1)+NH4	0.9758	1.0242
ChE(18:2)+NH4	1.0306	0.9694
ChE(18:3)+NH4	0.9650	1.0350
ChE(19:1)+NH4	1.1273	0.8727
ChE(20:2)+NH4	1.1437	0.8563
ChE(20:3)+NH4	1.1255	0.8745
ChE(20:4)+NH4	1.0690	0.9310
ChE(22:3)+NH4	1.1250	0.8750
ChE(22:5)+NH4	1.0254	0.9746
ChE(22:6)+NH4	0.8822	1.1178
ChE(24:4)+NH4	0.9807	1.0193
ChE(24:5)+NH4	0.8889	1.1111
ChE(24:6)+NH4	1.0780	0.9220
ChE(26:5)+NH4	0.9701	1.0299
ChE(26:6)+NH4	1.1247	0.8753
ChE(28:6)+NH4	1.1680	0.8320
Chenodeoxycholate	1.0065	0.9935
Chitobiose	0.8345	1.1655
Chlorhexidine	0.8097	1.1903
Choline	0.9771	1.0229
Chrysomycin a	0.3400	1.6600
Chymostatin	0.9340	1.0660
Cimicifugoside h 2	1.0484	0.9516
Cinobufagin	1.0869	0.9131
Cinobufotalin	0.7871	1.2129
Cis-13-docosenoic acid	1.1572	0.8428
Cis,cis-9,12-octadecadien-1-ol	0.9782	1.0218
Cis-.delta.2-11-methyldodecenoic acid	1.0312	0.9688
CL(64:8)+Na	0.8165	1.1835
CL(66:4)+Na	0.9753	1.0247
CL(68:10)+H	0.9848	1.0152
CL(68:4)+H	0.9619	1.0381
CL(70:10)+Na	0.8587	1.1413
CL(70:1)+H	0.5901	1.4099
CL(70:2)+H	0.6945	1.3055
CL(70:4)+H	0.7615	1.2385
CL(71:2)+Na	1.0673	0.9327
CL(72:2)+H	0.6821	1.3179
CL(72:3)+H	1.4259	0.5741
CL(72:9)+H	0.9026	1.0974
CL(74:12)+Na	0.9159	1.0841
CL(74:1)+H	0.7537	1.2463
CL(74:3)+H	0.7484	1.2516
CL(74:4)+H	0.8104	1.1896
CL(74:6)+H	0.3843	1.6157
CL(74:7)+H	0.7845	1.2155
CL(74:8)+H	1.0478	0.9522
CL(76:2)+H	0.8681	1.1319
CL(76:4)+H	0.7855	1.2145
CL(76:5)+H	0.8874	1.1126
CL(76:8)+H	0.7355	1.2645
CL(78:10)+H	0.6255	1.3745
CL(78:4)+H	0.5825	1.4175
CL(78:7)+H	1.0849	0.9151
CL(78:9)+H	0.9226	1.0774
CL(79:9)+H	0.8836	1.1164
CL(80:8)+H	0.9411	1.0589
CL(82:11)+H	0.4749	1.5251
CL(82:13)+H	0.6114	1.3886
CL(82:4)+H	0.6273	1.3727
CL(86:14)+H	0.7407	1.2593
Clobetasol propionate	0.7125	1.2875
Clomazon	0.7881	1.2119
Clomipramine n-oxide	0.8441	1.1559
Clorgyline	0.7844	1.2156
Cnicin	0.9014	1.0986
Cocaine	1.0434	0.9566
Condelphine	0.9635	1.0365
Conessine	0.6736	1.3264
Coniferin	1.0683	0.9317
Co(Q10)+NH4	1.0016	0.9984
Co(Q6)+H	1.0113	0.9887
Co(Q7)+H	0.9598	1.0402
Co(Q8)+H	1.0173	0.9827
Co(Q9)+H	1.1041	0.8959
(-)-corey lactone diol	1.0023	0.9977
Cortisol 21-acetate	1.0701	0.9299
(+)-costunolide	1.0441	0.9559
Creatine	0.8499	1.1501
Creatinine	0.9981	1.0019
Cucurbitacin d	0.8872	1.1128
Cucurbitacin i	1.2639	0.7361
Cumyluron	0.9970	1.0030
Curcumin	1.1737	0.8263
Cyasterone	1.2378	0.7622
Cyclanilide	0.6192	1.3808
Cyclohexanone, 2-(ethylamino)-2-phenyl-	0.5935	1.4065
Cyclohexylamine	0.6991	1.3009
Cyclohexylaminopropanesulfonic acid	0.6385	1.3615
Cyclopentolate	0.5404	1.4596
Cyclosulfamuron	1.3305	0.6695
Cyhalothrin	1.1305	0.8695
Cytarabine	0.7044	1.2956
Cytidine	0.7668	1.2332
Cytidine 2^,3^-cyclic monophosphoric acid	1.5284	0.4716
Cytidine 2^,3^-cyclic phosphate	1.2556	0.7444
Cytidine 5^-diphosphate (CDP)	0.7690	1.2310
Cytidine 5^-diphosphocholine	0.6777	1.3223
Cytidine 5^-monophosphate	0.8821	1.1179
Cytidine 5^-monophosphate (CMP)	1.1504	0.8496
Cytochalasin a	0.9319	1.0681
Cytochalasin b	1.2657	0.7343
Cytochalasin d	0.8781	1.1219
Cytochalasin e	1.0266	0.9734
Cytosine	0.9244	1.0756
D-amygdalin	0.9774	1.0226
Dansyl acid	0.6182	1.3818
Dapsone	0.7852	1.2148
Dasatinib n-oxide	1.1856	0.8144
D-aspartic acid	0.8686	1.1314
Daurisoline	0.9086	1.0914
Decanoyl-l-carnitine	1.1562	0.8438
Decoyinine	0.9366	1.0634
Defluoroatorvastatin	0.8582	1.1418
Demissidine	1.1765	0.8235
Deoxyadenosine	1.0190	0.9810
Deoxycarnitine	0.8992	1.1008
Deoxycorticosterone acetate	0.4800	1.5200
Deoxyguanosine	1.5333	0.4667
D-erythro-imidazolylglycerol phosphate	0.4287	1.5713
D-erythro-sphingosine-1-phosphate	1.0584	0.9416
Desferrioxamine	1.0633	0.9367
DG(10:0e_19:1)+Na	0.7980	1.2020
DG(10:0e_20:1)+Na	0.7169	1.2831
DG(10:0e_23:1)+Na	0.9483	1.0517
DG(10:1e_10:4)+Na	1.0032	0.9968
DG(12:0e_18:2)+Na	1.0947	0.9053
DG(12:0e_22:3)+Na	0.7569	1.2431
DG(14:0_11:2)+H	0.7563	1.2437
DG(14:1_10:3)+NH4	0.7166	1.2834
DG(14:1)+Na	0.9975	1.0025
DG(16:0_16:0)+NH4	0.7872	1.2128
DG(16:0_17:0)+NH4	0.8917	1.1083
DG(16:0_18:1)+NH4	0.8944	1.1056
DG(16:0_22:0)+NH4	0.7777	1.2223
DG(16:0_22:6)+NH4	0.7098	1.2902
DG(16:0_24:1)+NH4	1.2840	0.7160
DG(16:0e_22:6)+NH4	1.0272	0.9728
DG(16:0e)+Na	0.8583	1.1417
DG(16:1_18:1)+NH4	0.8528	1.1472
DG(16:2e_18:2)+Na	0.7783	1.2217
DG(16:4)+Na	0.6545	1.3455
DG(17:0_18:1)+Na	1.2053	0.7947
DG(17:1_18:1)+Na	0.7426	1.2574
DG(18:0_16:0)+NH4	0.9742	1.0258
DG(18:0_18:0)+NH4	0.9434	1.0566
DG(18:0_18:1)+NH4	1.2368	0.7632
DG(18:0_20:3)+NH4	1.1231	0.8769
DG(18:0_20:4)+NH4	0.9007	1.0993
DG(18:0_22:6)+NH4	0.6551	1.3449
DG(18:1_18:1)+NH4	1.0189	0.9811
DG(18:1_18:2)+H	0.7964	1.2036
DG(18:1_18:2)+NH4	0.9177	1.0823
DG(18:1_20:2)+NH4	1.1995	0.8005
DG(18:1_22:1)+NH4	1.3288	0.6712
DG(18:1_22:2)+NH4	1.3437	0.6563
DG(18:1_22:6)+NH4	0.7746	1.2254
DG(18:1_24:0)+NH4	1.3734	0.6266
DG(18:1_24:1)+NH4	1.2018	0.7982
DG(18:1_24:2)+NH4	1.2966	0.7034
DG(18:1e_16:0)+NH4	0.8001	1.1999
DG(18:3e_18:1)+Na	0.8238	1.1762
DG(18:4)+Na	0.5175	1.4825
DG(19:0_18:1)+Na	1.3224	0.6776
DG(19:0e)+Na	0.8956	1.1044
DG(19:2e)+Na	1.1822	0.8178
DG(19:2e)+NH4	0.8694	1.1306
DG(19:2)+Na	0.3240	1.6760
DG(19:3e)+H	0.8595	1.1405
DG(19:3e)+Na	0.9396	1.0604
DG(20:0_18:1)+NH4	1.3000	0.7000
DG(20:0_22:5)+NH4	1.1720	0.8280
DG(20:1_18:1)+NH4	1.3552	0.6448
DG(20:1e)+H	0.8075	1.1925
DG(20:4e_20:3)+Na	0.7522	1.2478
DG(21:4)+Na	0.4524	1.5476
DG(21:5e)+Na	0.8946	1.1054
DG(22:1_22:1)+NH4	1.2306	0.7694
DG(22:2e)+H	0.8456	1.1544
DG(22:4_12:3)+NH4	1.0241	0.9759
DG(23:2)+H	1.6940	0.3060
DG(23:5e)+Na	1.0331	0.9669
DG(24:2)+H	1.6321	0.3679
DG(24:5e)+Na	1.0052	0.9948
DG(25:4)+NH4	1.0367	0.9633
DG(26:0_18:1)+NH4	1.4272	0.5728
DG(26:0e)+Na	0.9070	1.0930
DG(26:1_18:1)+NH4	1.2255	0.7745
DG(26:2e)+H	0.9600	1.0400
DG(26:6e)+Na	1.0094	0.9906
DG(27:0e)+Na	0.8684	1.1316
DG(28:0e)+Na	0.9051	1.0949
DG(28:1e)+Na	0.7963	1.2037
DG(28:2e)+H	1.0472	0.9528
DG(28:3e)+H	0.8364	1.1636
DG(28:6e)+Na	1.0110	0.9890
DG(28:7e)+Na	0.9923	1.0077
DG(29:0e)+Na	0.8979	1.1021
DG(29:2e)+H	1.0568	0.9432
DG(29:6e)+Na	0.9952	1.0048
DG(30:1e)+Na	0.7799	1.2201
DG(30:2e)+H	1.1547	0.8453
DG(30:3e)+H	1.3028	0.6972
DG(30:3e)+NH4	0.9999	1.0001
DG(30:4e)+H	0.7482	1.2518
DG(31:1e)+Na	1.1486	0.8514
DG(31:2e)+H	1.0781	0.9219
DG(31:3e)+H	0.9974	1.0026
DG(31:7e)+Na	1.0128	0.9872
DG(32:0e)+Na	1.1057	0.8943
DG(32:1e)+Na	0.8291	1.1709
DG(32:2e)+H	0.7462	1.2538
DG(32:2e)+Na	0.8077	1.1923
DG(32:3e)+H	0.8116	1.1884
DG(32:3e)+Na	0.7515	1.2485
DG(32:4e)+H	0.7212	1.2788
DG(32:5e)+H	0.9823	1.0177
DG(32:7e)+Na	0.9703	1.0297
DG(33:0e)+Na	1.0053	0.9947
DG(33:1e)+Na	0.6915	1.3085
DG(33:1)+Na	0.7121	1.2879
DG(33:2e)+H	1.0948	0.9052
DG(33:2e)+Na	0.9177	1.0823
DG(33:3e)+H	0.7225	1.2775
DG(34:1e)+Na	0.8212	1.1788
DG(34:2e)+H	0.9460	1.0540
DG(34:2e)+Na	0.7920	1.2080
DG(34:3e)+H	0.7576	1.2424
DG(34:3e)+Na	1.0901	0.9099
DG(34:4e)+H	0.7565	1.2435
DG(34:4e)+Na	0.8097	1.1903
DG(34:5e)+H	0.7939	1.2061
DG(34:5e)+Na	0.6912	1.3088
DG(34:5e)+NH4	0.8918	1.1082
DG(34:6e)+H	0.7450	1.2550
DG(34:8e)+Na	1.0114	0.9886
DG(35:1e)+Na	0.8899	1.1101
DG(35:2e)+Na	0.8820	1.1180
DG(35:3e)+H	0.8754	1.1246
DG(35:3e)+Na	0.8575	1.1425
DG(35:4e)+H	0.8113	1.1887
DG(35:4e)+Na	0.6120	1.3880
DG(36:0e)+Na	1.1785	0.8215
DG(36:1e)+Na	1.2335	0.7665
DG(36:2e)+H	0.9424	1.0576
DG(36:2e)+Na	1.1617	0.8383
DG(36:3e)+H	0.8308	1.1692
DG(36:3e)+Na	0.9033	1.0967
DG(36:4e)+H	0.9091	1.0909
DG(36:4e)+Na	0.9037	1.0963
DG(36:5e)+H	0.8264	1.1736
DG(36:5e)+Na	0.6762	1.3238
DG(36:6e)+H	0.7286	1.2714
DG(36:7e)+H	0.5786	1.4214
DG(37:1e)+Na	1.0329	0.9671
DG(37:2e)+Na	1.1174	0.8826
DG(37:2)+Na	1.1716	0.8284
DG(37:3e)+H	0.8594	1.1406
DG(37:3e)+Na	0.6397	1.3603
DG(37:3)+H	1.2828	0.7172
DG(37:4e)+H	1.0488	0.9512
DG(37:4e)+Na	0.8637	1.1363
DG(37:5e)+H	0.9604	1.0396
DG(38:0e)+Na	1.3103	0.6897
DG(38:0)+Na	1.2245	0.7755
DG(38:1e)+Na	0.8779	1.1221
DG(38:2e)+Na	1.1343	0.8657
DG(38:2)+NH4	1.0016	0.9984
DG(38:3e)+H	0.9651	1.0349
DG(38:3e)+Na	1.0015	0.9985
DG(38:4e)+H	1.1091	0.8909
DG(38:4e)+Na	0.8196	1.1804
DG(38:5e)+H	0.9791	1.0209
DG(38:5e)+Na	0.8211	1.1789
DG(38:6e)+H	0.9708	1.0292
DG(38:6e)+Na	0.8401	1.1599
DG(38:7e)+H	0.7425	1.2575
DG(38:7e)+Na	0.8923	1.1077
DG(38:7e)+NH4	0.9221	1.0779
DG(38:8e)+H	0.9156	1.0844
DG(39:2e)+Na	1.1169	0.8831
DG(39:5e)+H	1.0614	0.9386
DG(40:0e)+Na	0.8870	1.1130
DG(40:1e)+Na	0.9003	1.0997
DG(40:2e)+Na	1.2316	0.7684
DG(40:3e)+H	0.6497	1.3503
DG(40:3e)+Na	1.0948	0.9052
DG(40:4e)+H	1.1417	0.8583
DG(40:4e)+Na	0.8083	1.1917
DG(40:5e)+H	1.2837	0.7163
DG(40:5e)+Na	0.7457	1.2543
DG(40:5)+H	1.2791	0.7209
DG(40:6e)+H	1.1276	0.8724
DG(40:6e)+Na	0.9303	1.0697
DG(40:6e)+NH4	0.7565	1.2435
DG(40:7e)+H	1.0361	0.9639
DG(40:8e)+H	0.6214	1.3786
DG(40:9e)+H	0.8397	1.1603
DG(40:9e)+Na	1.0073	0.9927
DG(42:0e)+Na	1.4284	0.5716
DG(42:10e)+Na	0.6303	1.3697
DG(42:1e)+Na	1.2288	0.7712
DG(42:2e)+Na	0.8627	1.1373
DG(42:3e)+H	0.8463	1.1537
DG(42:4e)+Na	0.7776	1.2224
DG(42:5e)+Na	0.9820	1.0180
DG(42:6e)+NH4	1.4176	0.5824
DG(42:9e)+Na	0.9971	1.0029
DG(43:5)+H	1.2642	0.7358
DG(44:5e)+Na	1.0387	0.9613
DG(44:5)+H	1.1869	0.8131
DG(48:2)+NH4	0.8810	1.1190
DG(6:0_10:4)+H	0.9985	1.0015
DG(8:0e_10:4)+Na	1.0124	0.9876
DG(8:0e_11:4)+Na	1.0347	0.9653
DG(8:1e_22:6)+Na	1.0160	0.9840
D-glucosamine 6-phosphate	0.8009	1.1991
D-glucose 6-phosphate	0.9447	1.0553
D-glutamine	0.9684	1.0316
Diadenosine triphosphate	0.5997	1.4003
Diaveridine	0.9956	1.0044
Dibenzylamine	1.0172	0.9828
Dibucaine	1.0208	0.9792
Dibutyl phthalate	1.0119	0.9881
Dibutyryl-cgmp	0.6478	1.3522
Diclobutrazol	0.9828	1.0172
Diethylstilbestrol	0.8993	1.1007
Dihydrofolic acid	0.5249	1.4751
Dihydromethysticin	1.2168	0.7832
Dimefox	1.6893	0.3107
Dimethyl sulfoxide	1.0642	0.9358
Dioctyl phthalate	1.0387	0.9613
Dioscin	0.9771	1.0229
Diprotin b	0.7863	1.2137
D-lactosyl-.beta.1-1^-d-erythro-sphingosine	0.4284	1.5716
Dl-a-hydroxybutyric acid	1.0960	0.9040
DL-arginine	0.5261	1.4739
Dl-.beta.-homoleucine	0.7388	1.2612
Dl-cystathionine	0.9298	1.0702
D-leucinamide, n-[(phenylmethoxy)carbonyl]-l-leucyl-n-[(1s)-1-formyl-3-methylbutyl]-	1.1252	0.8748
DL-Glutamic acid	0.8279	1.1721
DL-Indole-3-lactic acid	0.8307	1.1693
Dl-lanthionine	0.7112	1.2888
DL-leucine	0.5902	1.4098
DL-Lysine	0.9179	1.0821
Dl-octopamine	0.9893	1.0107
DL-phenylalanine	0.4796	1.5204
DL-proline	0.1902	1.8098
DL-serine	0.9369	1.0631
DL-tyrosine	0.9539	1.0461
Doxazosin	1.0455	0.9545
D-Pipecolinic acid	0.9140	1.0860
D-Proline	0.9507	1.0493
D-pyroglutamic acid	0.9439	1.0561
(.+/-.)-dropropizine	1.0742	0.9258
Ebastine	0.6919	1.3081
Echimidine n-oxide	0.9432	1.0568
Echinocystic acid	0.9651	1.0349
Eflornithine	0.9057	1.0943
Egtazic acid	1.0630	0.9370
Enterodiol	1.0126	0.9874
Enzastaurin	0.8598	1.1402
Eplerenone	1.3814	0.6186
Ergocristam	0.6345	1.3655
Ergotamine	0.8057	1.1943
Ergothioneine	1.0218	0.9782
Erucamide	1.1555	0.8445
Estriol	0.7582	1.2418
Estriol 16alpha-(beta-d-glucuronide)	0.7462	1.2538
(.+/-.)-ethylphenidate	0.7743	1.2257
Evodin	0.8440	1.1560
Fenpropidin	0.9837	1.0163
Flavin adenine dinucleotide (FAD)	0.9619	1.0381
Flavine mononucleotide	1.0450	0.9550
Flavin mononucleotide (fmn)	1.0177	0.9823
Flecainide	0.7400	1.2600
Flucarbazone	0.7763	1.2237
Fluorometholone	1.0462	0.9538
Fluphenazine	0.8365	1.1635
Flutamide	1.0335	0.9665
Folinic acid	0.8566	1.1434
Formylanthranilic acid	1.0070	0.9930
Forskolin	0.7659	1.2341
Furafylline	0.8274	1.1726
Furazolidone	1.1911	0.8089
Furmecyclox	0.7067	1.2933
.gamma.-aminobutyric acid	1.1559	0.8441
Gamma-glu-glu	0.9358	1.0642
Gamma-Glutamylcysteine	1.0264	0.9736
gamma-Glutamyl-L-methionine	0.8681	1.1319
.gamma.-l-glu-.epsilon.-l-lys	0.6495	1.3505
Gamma-l-glutamyl-l-glutamic acid	0.9207	1.0793
gamma-L-Glutamyl-L-phenylalanine	0.8229	1.1771
gamma-L-Glutamyl-L-valine	0.6298	1.3702
Ganciclovir	0.9689	1.0311
Ganoderic acid h	0.7511	1.2489
Gardenoside	0.9798	1.0202
Gemcitabine	0.2618	1.7382
G-guanidinobutyrate	0.9248	1.0752
Gibberellin a4	0.6255	1.3745
Ginkgolide b	1.0792	0.9208
Ginkgotoxin	0.3608	1.6392
Gln-arg	0.8480	1.1520
Gln-Asp-Arg	0.9701	1.0299
Gln-Leu-Arg	0.9807	1.0193
Gln-Ser-Lys	0.7842	1.2158
Glu-Ala-Arg	0.9376	1.0624
Glu-Ala-Lys	0.8144	1.1856
Glu-Arg	0.8882	1.1118
Glu-Asp-Arg	0.7718	1.2282
Glu-Glu-Arg	0.8840	1.1160
Glu-Gly-Arg	0.9147	1.0853
Glu-Gly-Glu	0.8504	1.1496
Glu-Gly-Lys	0.6729	1.3271
Glu-His	0.8097	1.1903
Glu-Phe-Arg	0.9197	1.0803
Glu-Pro	1.1674	0.8326
Glu-Pro-Arg	0.9560	1.0440
Glu-Ser	0.9988	1.0012
Glu-Ser-Arg	0.9753	1.0247
Glu-Ser-Lys	0.7483	1.2517
Glutamyl-s-methylcysteine	1.1936	0.8064
Glutaraldehyde	0.8807	1.1193
Glutathione	1.2651	0.7349
Glu-Thr	0.5387	1.4613
Glu-Thr-Lys	0.7503	1.2497
Glu-Trp	0.7280	1.2720
Glu-Val-Arg	0.7437	1.2563
Glu-Val-Lys	0.9324	1.0676
Gly-Arg	1.0186	0.9814
Glycerol 3-phosphate	1.0548	0.9452
Glycerophosphocholine	0.9693	1.0307
Glyceryl tripalmitoleate	0.9470	1.0530
Glycine, n-[[1,2-dihydro-4-hydroxy-2-oxo-1-(phenylmethyl)-3-quinolinyl]carbonyl]-	1.6602	0.3398
Glycocholic acid	0.8059	1.1941
Glycoursodeoxycholic acid	1.4731	0.5269
Gly-His	0.4805	1.5195
Gly-Pro-Arg	0.8395	1.1605
Gly-Val-Arg	0.9754	1.0246
GM1(t34:0)+H-H2O	0.7440	1.2560
GM2(d34:0)+H	0.9949	1.0051
GM2(m41:4)+NH4	1.0721	0.9279
GM2(m42:2)+H	0.8530	1.1470
GM2(m42:3)+H	1.1314	0.8686
GM2(t32:0)+H-H2O	0.9360	1.0640
GM2(t33:0)+H-H2O	0.8699	1.1301
GM2(t34:0)+H-H2O	0.7856	1.2144
GM2(t34:0+O)+H-H2O	0.7169	1.2831
GM2(t34:1)+H-H2O	0.8323	1.1677
GM3(d32:2)+Na	0.4487	1.5513
GM3(d34:1+O)+H	0.7960	1.2040
GM3(m37:2+2O)+H	0.8186	1.1814
GM3(m42:2)+H	0.5813	1.4187
GM3(t34:0)+H-H2O	0.6073	1.3927
GM3(t34:0+O)+H-H2O	0.5774	1.4226
GM3(t42:4)+H-H2O	0.4395	1.5605
Goitrin	0.7436	1.2564
Gomisin c	0.8176	1.1824
Gramine	0.8868	1.1132
Guanidine	1.1340	0.8660
Guanidoacetic acid	0.7159	1.2841
Guanine	1.2571	0.7429
Guanosine 5^-diphosphate (GDP)	1.0222	0.9778
Guanosine 5^-diphospho-.alpha.-d-mannose	0.9899	1.0101
Guanosine 5^-monophosphate	0.7401	1.2599
Guanosine diphosphate	1.0359	0.9641
Halofantrine	0.9177	1.0823
Harmaline	1.1471	0.8529
Harringtonine	0.9478	1.0522
Hc toxin	0.9357	1.0643
Heptadecanoic acid	1.0935	0.9065
Hesperetin	0.7416	1.2584
Hex1Cer(d16:0_23:2)+H-H2O	0.8108	1.1892
Hex1Cer(d18:1_16:0)+H	0.6277	1.3723
Hex1Cer(d18:1_24:1)+H	0.4676	1.5324
Hex1Cer(d18:2_21:2)+Na	1.3343	0.6657
Hex1Cer(d35:1)+H-H2O	0.8819	1.1181
Hex1Cer(d35:2+O)+NH4	1.0183	0.9817
Hex1Cer(d37:2+O)+NH4	1.0482	0.9518
Hex1Cer(d41:6)+H-H2O	0.4836	1.5164
Hex1Cer(m17:0_21:2)+H	1.0111	0.9889
Hex1Cer(m18:0_20:5)+H	0.9360	1.0640
Hex1Cer(m18:0_21:2)+H	0.9501	1.0499
Hex1Cer(m19:0_21:2)+H	0.9196	1.0804
Hex1Cer(m19:0_21:3)+H	0.7979	1.2021
Hex1Cer(m19:0_22:2)+H	1.7316	0.2684
Hex1Cer(m19:0_22:3)+H	0.7473	1.2527
Hex1Cer(m19:0_22:4)+H	1.1187	0.8813
Hex1Cer(m19:0_23:1)+H	0.8223	1.1777
Hex1Cer(m19:0_23:2)+H	0.8800	1.1200
Hex1Cer(m19:0_23:3)+H	0.8404	1.1596
Hex1Cer(m19:0_23:4)+H	0.6052	1.3948
Hex1Cer(m19:0_24:2)+H	0.7477	1.2523
Hex1Cer(m19:0_24:3)+H	0.8220	1.1780
Hex1Cer(m19:0_24:4)+H	1.0365	0.9635
Hex1Cer(m19:0_25:2)+H	0.7586	1.2414
Hex1Cer(m19:0_25:3)+H	0.8934	1.1066
Hex1Cer(m21:0_23:2)+H	1.0307	0.9693
Hex1Cer(m38:4)+H	0.9456	1.0544
Hex1Cer(t16:1_18:0+O)+H	0.8144	1.1856
Hex1Cer(t18:0_22:0)+H-H2O	0.9111	1.0889
Hex1Cer(t18:0_23:3)+H-H2O	1.0700	0.9300
Hex1Cer(t18:0_24:0)+H-H2O	0.8841	1.1159
Hex1Cer(t18:0_24:1)+H-H2O	0.9286	1.0714
Hex1Cer(t39:3)+H-H2O	1.1067	0.8933
Hex1Cer(t39:4)+Na	0.9042	1.0958
Hex1Cer(t46:6)+Na	0.9185	1.0815
Hex2Cer(d18:1_16:0)+H	0.4992	1.5008
Hex2Cer(d18:1_24:0)+H	0.6203	1.3797
Hex2Cer(d19:2_24:2)+NH4	0.7416	1.2584
Hex2Cer(d20:1_25:0)+H	1.0858	0.9142
Hex2Cer(d31:0)+Na	1.1127	0.8873
Hex2Cer(d40:0)+Na	1.0889	0.9111
Hex2Cer(d48:4)+H-H2O	1.1208	0.8792
Hex2Cer(m19:0_21:2)+H	0.9016	1.0984
Hex2Cer(m19:0_21:3)+H	0.8496	1.1504
Hex2Cer(m19:0_22:2)+H	0.9506	1.0494
Hex2Cer(m19:0_22:3)+H	0.8349	1.1651
Hex2Cer(m19:0_23:2)+H	0.8122	1.1878
Hex2Cer(m19:0_23:3)+H	0.8127	1.1873
Hex2Cer(m19:0_24:2)+H	0.6779	1.3221
Hex2Cer(m19:0_24:3)+H	0.7998	1.2002
Hex2Cer(m19:0_25:3)+H	0.9268	1.0732
Hex2Cer(m21:0_23:2)+H	1.0215	0.9785
Hex2Cer(m32:1+O)+H	0.8962	1.1038
Hex2Cer(m45:6)+Na	0.7217	1.2783
Hex2Cer(t17:1_18:0)+Na	0.8080	1.1920
Hex2Cer(t18:0_24:1)+H-H2O	0.2666	1.7334
Hex2Cer(t37:5)+H	0.9834	1.0166
Hex2Cer(t42:3)+H-H2O	0.5742	1.4258
Hex2Cer(t43:3)+H-H2O	0.8606	1.1394
Hex3Cer(d18:0_16:0)+H	0.4446	1.5554
Hex3Cer(d18:0_22:0)+H	0.6984	1.3016
Hex3Cer(d18:0_24:0)+H	0.5022	1.4978
Hex3Cer(d18:1_24:0)+H	0.9257	1.0743
Hex3Cer(d33:1+2O)+Na	0.3646	1.6354
Hex3Cer(m19:0_21:2)+H	0.6038	1.3962
Hex3Cer(m19:0_22:2)+H	0.5332	1.4668
Hex3Cer(m19:0_22:3)+H	0.2835	1.7165
Hex3Cer(m19:0_23:2)+H	0.5351	1.4649
Hex3Cer(m19:0_23:3)+H	0.5133	1.4867
Hex3Cer(m19:0_24:2)+H	0.3609	1.6391
Hex3Cer(m19:0_25:3)+H	0.5356	1.4644
Hex3Cer(m21:0_23:2)+H	0.6342	1.3658
Hex3Cer(m42:1+O)+NH4	0.5206	1.4794
Hex3Cer(t18:0_24:1)+H	0.3882	1.6118
Hex3Cer(t18:0_26:3)+H-H2O	0.5604	1.4396
Hexadecylacetylglycerol	0.8950	1.1050
Hexamethylcyclotrisiloxane	1.0176	0.9824
Hexanoyl-l-carnitine	0.8384	1.1616
Hippuric acid	0.6692	1.3308
His-Ala	1.1049	0.8951
His-Asp	0.9528	1.0472
His-Gln	0.9122	1.0878
His-Glu	0.8205	1.1795
His-Glu-Lys	0.7954	1.2046
His-Gly	0.8762	1.1238
His-Thr	1.0121	0.9879
Histidine	0.8726	1.1274
Homostachydrine	0.9889	1.0111
Hydramethylnon	0.7355	1.2645
hydrocortisone 21-acetate	1.1701	0.8299
Hydroxyflutamide	0.9739	1.0261
Hydroxyvarenicline, n-trifluoroacetyl-	1.0934	0.9066
Hymenamide k	0.9754	1.0246
Hypoxanthine	1.3564	0.6436
Icariside ii	1.0568	0.9432
Ile-Ala	0.7133	1.2867
Ile-Arg	0.8801	1.1199
Ile-Asn	1.0106	0.9894
Ile-Glu	0.7419	1.2581
Ile-Lys	0.9824	1.0176
Ile-Pro	0.8236	1.1764
Ile-Pro-Ile	0.8582	1.1418
Ile-thr	1.4533	0.5467
Ile-Trp	1.0293	0.9707
Imidazoleacetic acid	1.1391	0.8609
Indinavir	0.8088	1.1912
Indole	0.4841	1.5159
Indole-3-acetaldehyde	0.5604	1.4396
Indole-3-carbinol	0.8568	1.1432
Indole-3-carboxaldehyde	0.4652	1.5348
Indole-3-carboxylic acid	0.7005	1.2995
Indoleacetic acid	1.0408	0.9592
Iohexol	0.9374	1.0626
Ipecoside	1.0461	0.9539
Irbesartan	0.7777	1.2223
Irinotecan	1.0512	0.9488
Isobutyryl-l-carnitine	0.5255	1.4745
Isoleucine	0.6087	1.3913
Isovaleryl-l-carnitine	0.6124	1.3876
Itaconic acid	0.9739	1.0261
Juglone	1.3415	0.6585
Karbutilate	0.8646	1.1354
Keracyanin	1.0335	0.9665
Khelloside	0.7030	1.2970
Kotanin	0.7664	1.2336
Kukoamine b	0.8500	1.1500
Kynurenic acid	0.8374	1.1626
Kynurenine	0.4014	1.5986
Lactose	1.0494	0.9506
L-Alanine	1.2612	0.7388
Lamiide	0.8972	1.1028
Lanosterol	0.7962	1.2038
Lappaconitine	0.7866	1.2134
L-Arginine	0.9620	1.0380
L-arginine-7-amido-4-methylcoumarin	0.7524	1.2476
L-arginine, methyl ester	0.5871	1.4129
L-aspartic acid	0.8512	1.1488
Lathosterol	0.7814	1.2186
Lauramidopropylbetaine	1.0167	0.9833
Lauric acid diethanolamide	0.9674	1.0326
Lauroyl-l-carnitine	1.0362	0.9638
L-.beta.-homoserine	0.8575	1.1425
L-carnitine	0.7019	1.2981
L-carnosine	1.0239	0.9761
L-cystine	0.4602	1.5398
Lenticin	0.9411	1.0589
Leucopterin	0.5932	1.4068
Leu-Glu	0.5012	1.4988
Leu-Ile-Lys	0.7845	1.2155
Leukotriene c4	1.0061	0.9939
Leukotriene e4	0.8481	1.1519
Leu-Lys	0.9123	1.0877
Leu-Met	0.9321	1.0679
Leupeptin	0.9909	1.0091
Leu-Pro	0.9802	1.0198
Leu-Thr	0.6588	1.3412
Lewis a trisaccharide	0.9275	1.0725
Lewis x trisaccharide	1.0624	0.9376
L-Glutamate	0.9372	1.0628
L-glutamic acid, dimethyl ester	0.9604	1.0396
L-glutarylcarnitine	1.4191	0.5809
L-Histidine	0.6151	1.3849
L-homoarginine	0.9882	1.0118
L-homophenylalanine	0.7084	1.2916
L-homoserine	0.8538	1.1462
L-hydroxyarginine	0.9307	1.0693
Linderane	0.8630	1.1370
Linoleic acid	0.9502	1.0498
Linoleoylcarnitine	1.0142	0.9858
Linustatin	0.6403	1.3597
Lisdexamfetamine	0.9343	1.0657
Lithocholylglycine	0.5816	1.4184
Lithospermic acid	1.4419	0.5581
L-methionine	0.8521	1.1479
L-NG-Monomethylarginine	0.7279	1.2721
Lnnt	1.1858	0.8142
Lnt	1.2709	0.7291
Lonafarnib	0.7660	1.2340
Lopinavir	0.5491	1.4509
L-palmitoylcarnitine	1.8764	0.1236
Lpc 16:0	1.1024	0.8976
LPC(16:0e)+H	1.1504	0.8496
LPC(16:0)+H	0.9271	1.0729
LPC(16:1e)+H	0.6902	1.3098
LPC(16:2e)+H	0.6679	1.3321
LPC(18:0)+H	1.1227	0.8773
Lpc 18:1	1.0152	0.9848
LPC(18:1e)+Na	0.9538	1.0462
LPC(18:1)+H	0.4831	1.5169
Lpc 18:2	1.1070	0.8930
LPC(18:2e)+H	0.7257	1.2743
LPC(18:3e)+H	0.8532	1.1468
LPC(19:0)+H	0.9660	1.0340
LPC(20:0e)+H	0.7254	1.2746
LPC(20:2e)+H	1.0619	0.9381
LPC(20:3)+H	0.6844	1.3156
LPC(22:3)+Na	1.0471	0.9529
LPC(24:1)+H	1.1699	0.8301
LPC(25:0)+H	0.6610	1.3390
LPC(25:1)+H	0.8783	1.1217
LPC(26:0)+H	0.6614	1.3386
LPC(28:0)+H	0.8340	1.1660
LPC(28:1)+H	0.5837	1.4163
LPC(30:1)+Na	0.8854	1.1146
LPC(31:1)+Na	0.2055	1.7945
LPC(32:0)+Na	0.9156	1.0844
LPC(32:1)+Na	0.8565	1.1435
LPC(33:1)+Na	1.0483	0.9517
LPC(34:0)+Na	0.9962	1.0038
LPC(35:0)+Na	0.8914	1.1086
LPC(35:1)+Na	0.8603	1.1397
LPC(36:0)+Na	1.0869	0.9131
LPC(36:1)+Na	1.0542	0.9458
LPC(37:0)+Na	1.1166	0.8834
LPC(37:1)+Na	1.1142	0.8858
LPC(38:0)+Na	1.0976	0.9024
LPE(16:1e)+H	0.8571	1.1429
LPE(16:1p)+H	0.7528	1.2472
LPE(18:1p)+H	1.0826	0.9174
LPE(18:3e)+Na	0.8787	1.1213
LPE(20:1e)+Na	0.9505	1.0495
LPE(20:4e)+Na	0.8224	1.1776
LPG(16:2e)+H	0.6453	1.3547
LPG(19:0)+Na	1.0080	0.9920
L-pipecolic acid	0.8971	1.1029
L-Proline	0.3205	1.6795
L-propionylcarnitine	0.5445	1.4555
LPS(37:0)+H	1.8561	0.1439
L-saccharopine	1.3890	0.6110
L-thiocitrulline	0.5215	1.4785
L-threonine	0.7689	1.2311
Lumichrome	1.0725	0.9275
Lupenone	0.9288	1.0712
Lys-Ala	0.7857	1.2143
Lys-Asn	0.7687	1.2313
Lys-Glu-Arg	0.9730	1.0270
Lys-Gly	0.9995	1.0005
Lys-Leu	0.8364	1.1636
Lys-Lys-Lys	1.0437	0.9563
Lyso-sphingomyelin	0.7991	1.2009
Lys-Pro	1.1445	0.8555
Lys-Ser	0.9480	1.0520
Lys-Trp-Lys	0.7979	1.2021
Lys-Tyr-Arg	0.7298	1.2702
Lys-Val	1.0180	0.9820
Malaoxon	1.2684	0.7316
Maltotetraose	1.5662	0.4338
Maltotriose	1.5167	0.4833
Man3 a	1.1035	0.8965
Manumycin a	1.1541	0.8459
Meclizine	0.7622	1.2378
Medicagenic acid	0.8196	1.1804
Medroxyprogesterone 17-acetate	0.5435	1.4565
Melamine	0.9874	1.0126
Melatonin	1.5402	0.4598
Melezitose	0.0939	1.9061
Metalaxyl	1.3024	0.6976
Methanone, (1-butyl-2-hydroxy-1h-indol-3-yl)-1-naphthalenyl-	0.6050	1.3950
Methapyrilene	0.7832	1.2168
Methionine sulfoxide	0.6669	1.3331
Methotrexate	1.0406	0.9594
Methyl (1r,4as,9s,10s)-10-acetyloxy-5,9-dihydroxy-1,4a-dimethyl-2-oxo-7-propan-2-yl-10,10a-dihydro-9h-phenanthrene-1-carboxylate	0.8127	1.1873
Methyl 2-aminobenzoate	1.4695	0.5305
Methyl (2e,8e)-9-[3a-hydroxy-6,7-dimethyl-1-(2-methylpropyl)-3-oxo-2,4,7,7a-tetrahydro-1h-isoindol-4-yl]-4,5-dihydroxy-8-methylnona-2,8-dienoate	0.9839	1.0161
Methyl (4s,5z,6s)-4-[2-[[(1s,2r,3r,5r)-5-(1,3-dihydroxypropan-2-yl)-3-hydroxy-2-methylcyclopentyl]methoxy]-2-oxoethyl]-5-ethylidene-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4h-pyran-3-carboxylate	1.1835	0.8165
Methyltyrosinate	0.9570	1.0430
Met-Phe	0.9308	1.0692
MG(11:0)+Na	0.1854	1.8146
MG(13:0)+Na	1.0121	0.9879
MG(14:0e)+Na	0.7036	1.2964
MG(16:0)+Na	0.8271	1.1729
MG(16:2e)+H	0.7443	1.2557
MG(17:0)+Na	1.0451	0.9549
MG(18:2e)+H	1.1313	0.8687
MG(18:2)+H	0.5311	1.4689
MG(18:3e)+H	0.8544	1.1456
MG(20:2)+H	0.8835	1.1165
MG(22:5)+Na	1.7944	0.2056
MG(24:2)+H	1.5890	0.4110
MG(30:0)+Na	1.0573	0.9427
MG(32:0)+H	1.1285	0.8715
MG(32:0)+Na	0.9127	1.0873
MG(33:0)+Na	1.3755	0.6245
MG(34:0)+H	1.3681	0.6319
MG(34:1)+H	1.4320	0.5680
MG(38:0)+Na	0.8311	1.1689
MG(38:1)+Na	1.0662	0.9338
Microcystin lr	0.7996	1.2004
Mifepristone	0.6126	1.3874
Miglitol	0.8671	1.1329
Milnacipran	0.8681	1.1319
Milrinone	0.7642	1.2358
Miltefosine	1.7562	0.2438
Molinate	0.1276	1.8724
Molsidomine	0.9035	1.0965
Monoelaidin	0.9994	1.0006
Morphine n-oxide	0.8968	1.1032
Mulberroside a	0.9931	1.0069
Muscone	1.0025	0.9975
Mycophenolate mofetil	0.7029	1.2971
Myristamidopropyl betaine	1.0612	0.9388
Myristamine oxide	0.9755	1.0245
Myristic acid	0.9979	1.0021
Myristoleic acid	1.0056	0.9944
Myristoyl-l-carnitine	1.0127	0.9873
N1-Acetylspermidine	1.0197	0.9803
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentyl-1h-indole-3-carboxamide	0.9586	1.0414
N1-losartanyllosartan	0.7904	1.2096
N-(2-acetamido)iminodiacetic acid	1.1147	0.8853
N-3,4-tridhydroxybenzamide	0.8989	1.1011
N-[(3s,5s,7s)-adamantan-1-yl]-1-(4-fluorobenzyl)-1h-indazole-3-carboxamide	0.9585	1.0415
N-(4-fluorobenzoyl)-5-amino-1h-indole	1.4658	0.5342
N6-methyladenosine	1.7972	0.2028
N6-Methyl-L-lysine	0.5453	1.4547
N6,N6,N6-Trimethyl-L-lysine	1.0895	0.9105
N8-acetylspermidine	0.9655	1.0345
N-acetyl-5-hydroxytryptamine	0.7255	1.2745
N-acetyl-.beta.-d-mannosamine	0.2171	1.7829
N-acetyl-d-glucosamine	0.7506	1.2494
N-acetyldihydrosphingosine	0.9905	1.0095
N-acetyl-d-lactosamine	1.3743	0.6257
N-acetylglucosamine	0.4974	1.5026
N-Acetylglucosaminylasparagine	1.0350	0.9650
N-acetylhistamine	0.9523	1.0477
N-Acetyl-L-alanine	0.8883	1.1117
N-acetyl-l-phenylalanine	0.9516	1.0484
N-acetylmannosamine	0.7786	1.2214
N-acetylneuraminic acid, 2,3-dehydro-2-deoxy-	0.9719	1.0281
N-acetyltryptophan	0.6645	1.3355
NAD+	0.9608	1.0392
NADH	1.6799	0.3201
N.alpha.-benzoyl-asn-gly-thr-amide	1.0138	0.9862
N-.alpha.-(tert-butoxycarbonyl)-l-histidine	0.7943	1.2057
Naringenin	1.1478	0.8522
N-carboxyethyl-.gamma.-aminobutyric acid	0.9716	1.0284
NCGC00347372-02	0.8658	1.1342
N-cyclohexanecarbonyltetradecylamine	1.0577	0.9423
N-Docosanoyl-4-sphingenyl-1-O-phosphorylcholine	1.0215	0.9785
Neomycin	1.4082	0.5918
N.epsilon.-methyl-l-lysine	1.1187	0.8813
N-ethylmaleimide	0.8560	1.1440
Ng,ng-dimethyl-l-arginine	0.8279	1.1721
NG,NG-dimethyl-L-arginine(ADMA)	0.9643	1.0357
Niacinamide	1.0708	0.9292
Nicotinamide	0.9158	1.0842
Nicotinamide adenine dinucleotide (NAD)	0.8791	1.1209
Nicotinate d-ribonucleotide	0.6354	1.3646
Nicotine	1.0128	0.9872
Nimodipine	0.3500	1.6500
Nitrosobenzene	1.3349	0.6651
Nivalenol	1.1954	0.8046
N-lauroyl-d-erythro-sphinganine	1.1238	0.8762
N-lauroyl-d-erythro-sphingosylphosphorylcholine	0.7649	1.2351
N-mesitylbicyclo[2.2.1]heptane-2-carboxamide	1.0738	0.9262
N-methyl-n-(tetrahydro-2-furanylmethyl)-4-piperidinamine	1.0338	0.9662
N-(methylsulfonyl)-13-(3-pentyloxiranyl)-5z,8z,11z-tridecatrienamide	0.9669	1.0331
N-myristoylsphinganine	1.1534	0.8466
N,n^-diacetylchitobiose	0.7614	1.2386
N,n-diethyltryptamine	0.9383	1.0617
N,n-dimethylguanosine	1.5562	0.4438
N,n-dimethylsphingosine	0.9741	1.0259
N-nervonoyl-d-erythro-sphingosylphosphorylcholine	0.9907	1.0093
N-octadecylamine	1.0906	0.9094
N-octanoylsphingosine	1.0247	0.9753
N-oleoyl-d-erythro-sphingosylphosphorylcholine	0.6987	1.3013
N-(omega)-Hydroxyarginine	0.9997	1.0003
Norcocaine	1.4648	0.5352
(-)-norepinephrine	1.2638	0.7362
Norharmane	1.0886	0.9114
N-Palmitoylsphingosine	1.0701	0.9299
N-(phenylacetyl)-l-phenylalanine	0.9241	1.0759
N-(sec-butyl)-n-(4-(sec-butyl(trifluoroacetyl)amino)phenyl-2,2,2-trifluoroacetamide	0.9909	1.0091
N-stearoylsphinganine	1.2934	0.7066
N-[tris(hydroxymethyl)methyl]-3-aminopropanesulfonic acid	1.0833	0.9167
N-tris(hydroxymethyl)methylglycine	0.9237	1.0763
Nylidrin	1.0456	0.9544
Obacunone	0.8800	1.1200
Octaethylene glycol	0.9253	1.0747
Octanoic acid, 2-[[4-([1,1^-biphenyl]-4-ylamino)-6-chloro-2-pyrimidinyl]thio]-	0.9460	1.0540
Octanoylcarnitine	1.1193	0.8807
Okadaic acid	0.9876	1.0124
Oleamide	1.0499	0.9501
Oleana-1,9(11)-dien-28-amide, 2-cyano-3,12-dioxo-n-(2,2,2-trifluoroethyl)-	1.0501	0.9499
Oleoyl-coa	1.3356	0.6644
Oleoyl-l-carnitine	0.9810	1.0190
Oleoylserotonin	1.0855	0.9145
Oleyloxyethylphosphorylcholine	0.9461	1.0539
Omeprazole	0.8279	1.1721
Ophiopogonin d	0.8675	1.1325
Ophthalmate	1.0674	0.9326
Orcinol .beta.-d-glucoside	1.7309	0.2691
Oseltamivir	0.8990	1.1010
Osthole	1.1028	0.8972
O-t-butyl-l-threonine methyl ester	0.7709	1.2291
Oxybutynin	0.6807	1.3193
Oxyquinoline	1.0116	0.9884
PA(23:2)+NH4	0.8310	1.1690
PA(9:0_12:0)+NH4	0.8115	1.1885
Palmitoylcarnitine	0.5052	1.4948
Palmitoyl coa	1.1877	0.8123
Palmitoyl sphingomyelin	0.7910	1.2090
Pantothenic acid	1.1067	0.8933
Pantothenol	0.9676	1.0324
Paroxetine	0.5685	1.4315
Patulin	0.7862	1.2138
Paxilline	0.5505	1.4495
PC(10:0e_10:2)+H	0.9667	1.0333
PC(10:0e_10:3)+Na	0.6553	1.3447
PC(10:0e_12:1)+H	0.9885	1.0115
PC(10:0e_12:4)+H	0.7075	1.2925
PC(10:0e_14:1)+H	0.9745	1.0255
PC(10:0e_17:1)+H	0.5938	1.4062
PC(10:0e_22:5)+H	0.6756	1.3244
PC(10:0e_6:0)+Na	0.7501	1.2499
PC(10:0e_8:0)+H	0.7421	1.2579
PC(10:0e_9:0)+H	0.7556	1.2444
PC(10:1e_10:0)+Na	1.0512	0.9488
PC(11:0_16:0)+H	0.8018	1.1982
PC(12:0_22:6)+H	0.6247	1.3753
PC(12:0_24:1)+Na	0.8344	1.1656
PC(12:0e_11:0)+H	0.8466	1.1534
PC(12:1e_20:4)+H	0.8137	1.1863
PC(14:0_18:3)+Na	0.6393	1.3607
PC(14:0_22:1)+H	0.8836	1.1164
PC(14:0_22:3)+H	1.4214	0.5786
PC(14:0_22:6)+H	0.7005	1.2995
PC(14:0e_18:1)+H	0.7150	1.2850
PC(14:0e_21:1)+Na	1.1815	0.8185
PC(14:0e_6:0)+H	0.9129	1.0871
PC(14:1e_10:1)+H	1.1492	0.8508
PC(14:1e_16:0)+H	0.8522	1.1478
PC(14:1e_16:1)+H	0.7124	1.2876
PC(14:1e_18:1)+H	0.8422	1.1578
PC(14:1e_20:0)+H	1.3358	0.6642
PC(14:1e_20:3)+H	1.0815	0.9185
PC(14:1e_20:4)+H	0.5483	1.4517
PC(14:1e_20:5)+H	0.8470	1.1530
PC(14:1e_22:2)+H	1.4433	0.5567
PC(14:1e_22:4)+H	1.1986	0.8014
PC(14:1e_22:5)+H	0.8726	1.1274
PC(14:1e_22:6)+H	0.8577	1.1423
PC(15:0_19:0)+Na	1.0224	0.9776
PC(15:0_22:5)+H	1.0060	0.9940
PC(16:0/16:0)	0.9156	1.0844
PC(16:0_16:0)+H	0.8785	1.1215
PC(16:0_18:1)+Na	1.7223	0.2777
PC(16:0_22:6)+H	0.6503	1.3497
PC(16:0e_14:0)+Na	0.5741	1.4259
PC(16:0e_16:1)+Na	1.0428	0.9572
PC(16:0e_18:1)+H	0.5570	1.4430
PC(16:0e_18:4)+H	1.0443	0.9557
PC(16:0e_19:1)+Na	1.1007	0.8993
PC(16:0e_20:4)+Na	0.6861	1.3139
PC(16:0)+H	1.0124	0.9876
PC(16:1_22:6)+H	0.7866	1.2134
PC(16:1e_12:1)+H	0.5561	1.4439
PC(16:1e_16:0)+H	1.2588	0.7412
PC(16:1e_18:1)+Na	0.9586	1.0414
PC(16:1e_22:4)+H	0.8804	1.1196
PC(16:1e_22:5)+H	1.2770	0.7230
PC(16:1e_22:6)+H	0.7733	1.2267
PC(16:1e_9:0)+H	0.8931	1.1069
PC(16:1)+H	0.8881	1.1119
PC(16:2e_12:0)+H	1.0103	0.9897
PC(16:2e_17:0)+H	0.8951	1.1049
PC(16:2e_17:1)+Na	0.8187	1.1813
PC(16:2e_22:0)+Na	0.9715	1.0285
PC(16:2e_22:6)+H	0.9335	1.0665
PC(16:2e_6:0)+H	1.2476	0.7524
PC(17:0_22:0)+H	0.9990	1.0010
PC(17:1_16:0)+H	1.1166	0.8834
PC(17:1_18:1)+H	0.9769	1.0231
PC(17:1_18:1)+Na	0.7734	1.2266
PC(17:1_20:3)+H	0.9007	1.0993
PC(18:0_12:0)+H	0.8963	1.1037
PC(18:0_16:0)+H	0.7548	1.2452
PC(18:0_22:3)+Na	0.9834	1.0166
PC(18:1_14:1)+H	0.7220	1.2780
PC(18:1_14:3)+H	0.5661	1.4339
PC(18:1_18:1)+Na	1.1012	0.8988
PC(18:1_20:4)+H	1.0148	0.9852
PC(18:1_20:5)+H	0.5968	1.4032
PC(18:1_21:1)+H	0.9393	1.0607
PC(18:1_22:5)+H	0.7423	1.2577
PC(18:1_23:1)+H	1.0569	0.9431
PC(18:1e_16:0)+H	0.9724	1.0276
PC(18:1e_18:1)+H	1.1534	0.8466
PC(18:2e_20:4)+H	1.2077	0.7923
PC(18:2e_23:0)+H	1.0919	0.9081
PC(18:3_20:5)+H	0.5263	1.4737
PC(18:3e_16:1)+H	0.8755	1.1245
PC(18:3e_17:0)+H	0.8550	1.1450
PC(18:3e_17:1)+H	0.9257	1.0743
PC(18:3e_18:0)+H	1.0323	0.9677
PC(18:3e_18:1)+H	0.9243	1.0757
PC(18:3e_19:0)+H	0.8185	1.1815
PC(18:3e_19:0)+Na	0.9180	1.0820
PC(18:3e_20:1)+H	1.0620	0.9380
PC(18:3e_21:0)+H	0.9927	1.0073
PC(18:3e_22:5)+H	0.9682	1.0318
PC(18:3e_23:0)+H	1.1179	0.8821
PC(18:4_16:0)+H	0.9659	1.0341
PC(18:4_16:1)+H	0.8431	1.1569
PC(18:4_18:1)+H	0.8760	1.1240
PC(19:1_22:6)+H	0.2937	1.7063
PC(19:1_8:0)+H	0.9402	1.0598
PC(19:2)+H	0.9390	1.0610
PC(20:0_11:3)+H	0.9062	1.0938
PC(20:0_18:1)+H	1.0921	0.9079
PC(20:0_22:6)+H	1.0227	0.9773
PC(20:0e_10:3)+H	1.0111	0.9889
PC(20:0e_10:4)+H	0.5443	1.4557
PC(20:0e_11:3)+H	0.7134	1.2866
PC(20:0e_23:1)+Na	0.8456	1.1544
PC(20:1_11:3)+H	0.7243	1.2757
PC(20:1e_12:1)+H	0.9736	1.0264
PC(20:1e_18:3)+H	1.0364	0.9636
PC(20:1e_24:0)+Na	0.9859	1.0141
PC(20:1e_6:0)+Na	0.7509	1.2491
PC(20:2_11:1)+H	0.6999	1.3001
PC(20:2e_11:1)+H	0.7011	1.2989
PC(20:2e_12:1)+H	0.9648	1.0352
PC(20:2e_16:0)+H	0.8988	1.1012
PC(20:2e_22:2)+H	1.0367	0.9633
PC(20:3_14:3)+H	0.6522	1.3478
PC(20:4_12:1)+H	0.8579	1.1421
PC(20:4_21:1)+H	0.7469	1.2531
PC(20:4e_17:1)+Na	0.7118	1.2882
PC(20:4e_24:0)+H	1.0075	0.9925
PC(21:1)+H	1.1299	0.8701
PC(21:2)+H	1.4601	0.5399
PC(22:2_11:2)+H	0.8750	1.1250
PC(22:2_11:3)+H	0.8659	1.1341
PC(22:2_12:3)+H	0.7403	1.2597
PC(22:3_11:1)+H	0.7970	1.2030
PC(22:3_11:3)+H	0.7255	1.2745
PC(22:3_13:0)+H	1.0653	0.9347
PC(22:5_14:2)+H	0.8274	1.1726
PC(23:0_12:2)+Na	1.2103	0.7897
PC(23:2)+H	1.4227	0.5773
PC(24:1_14:1)+H	1.3241	0.6759
PC(25:0_17:0)+Na	1.0955	0.9045
PC(25:0_18:4)+Na	0.8413	1.1587
PC(25:0e)+H	0.8155	1.1845
PC(25:0)+H	0.9539	1.0461
PC(25:1_11:3)+Na	0.9200	1.0800
PC(25:1e)+H	0.6425	1.3575
PC(25:5)+H	1.3727	0.6273
PC(26:0_12:4)+Na	0.8374	1.1626
PC(27:0_14:1)+H	1.5688	0.4312
PC(27:1)+H	0.7498	1.2502
PC(28:0)+H	0.8974	1.1026
PC(28:1_18:2)+H	1.2159	0.7841
PC(28:1_18:3)+H	0.9555	1.0445
PC(28:1)+H	0.6593	1.3407
PC(29:0_11:4)+H	1.1519	0.8481
PC(29:1)+H	0.7966	1.2034
PC(29:1)+Na	0.7617	1.2383
PC(29:2)+H	0.7682	1.2318
PC(30:0)+H	0.9524	1.0476
PC(30:1e)+H	0.9484	1.0516
PC(30:1)+H	0.7069	1.2931
PC(30:3)+H	0.7188	1.2812
PC(31:0)+H	0.9546	1.0454
PC(31:0)+Na	1.0822	0.9178
PC(31:1)+H	0.7723	1.2277
PC(31:2e)+H	0.7924	1.2076
PC(31:2)+H	0.7648	1.2352
PC(31:3)+H	0.8221	1.1779
PC(31:4)+H	0.7679	1.2321
PC(31:6e)+Na	0.8949	1.1051
PC(31:7e)+H	0.6022	1.3978
PC(32:0e)+H	1.1179	0.8821
PC(32:0)+H	1.1232	0.8768
PC(32:1e)+H	0.9456	1.0544
PC(32:1)+Na	0.4361	1.5639
PC(32:2e)+H	0.9007	1.0993
PC(32:2)+H	0.8426	1.1574
PC(32:3)+H	0.9170	1.0830
PC(32:4)+H	0.8002	1.1998
PC(32:5)+H	0.7994	1.2006
PC(33:0e)+Na	0.7640	1.2360
PC(33:0)+H	1.0045	0.9955
PC(33:1e)+H	0.9621	1.0379
PC(33:1)+H	0.8401	1.1599
PC(33:1)+Na	0.7901	1.2099
PC(33:2e)+H	0.8837	1.1163
PC(33:2e)+Na	0.8177	1.1823
PC(33:2)+H	0.8069	1.1931
PC(33:3e)+H	0.9036	1.0964
PC(33:3e)+Na	0.7110	1.2890
PC(33:3)+H	0.8326	1.1674
PC(33:4)+H	0.7293	1.2707
PC(33:6)+H	0.7261	1.2739
PC(34:0e)+Na	1.1346	0.8654
PC(34:1_11:2)+H	1.1510	0.8490
PC(34:1e)+H	1.0099	0.9901
PC(34:1)+Na	1.1448	0.8552
PC(34:2)+Na	0.7193	1.2807
PC(34:3e)+Na	0.8247	1.1753
PC(34:3)+H	0.9858	1.0142
PC(34:3)+Na	0.6870	1.3130
PC(34:5e)+H	0.6432	1.3568
PC(34:5)+H	0.7334	1.2666
PC(34:6)+H	0.6213	1.3787
PC(35:0_11:3)+H	0.8415	1.1585
PC(35:1e)+H	0.9753	1.0247
PC(35:1)+H	0.9720	1.0280
PC(35:2e)+H	0.8620	1.1380
PC(35:2e)+Na	1.0379	0.9621
PC(35:2)+Na	0.9543	1.0457
PC(35:3e)+H	0.8754	1.1246
PC(35:3e)+Na	0.8798	1.1202
PC(35:4e)+H	0.9838	1.0162
PC(35:4e)+Na	0.8444	1.1556
PC(35:4)+H	0.7762	1.2238
PC(35:5)+H	0.9175	1.0825
PC(35:6)+H	0.9368	1.0632
PC(36:1e)+H	1.0054	0.9946
PC(36:1)+H	1.3062	0.6938
PC(36:2e)+H	0.7619	1.2381
PC(36:3e)+H	0.9945	1.0055
PC(36:5)+H	0.6758	1.3242
PC(36:6e)+H	0.8923	1.1077
PC(36:6)+H	0.7012	1.2988
PC(36:7)+H	0.6228	1.3772
PC(36:8)+H	0.6605	1.3395
PC(37:0)+H	1.2291	0.7709
PC(37:0)+Na	0.9152	1.0848
PC(37:1e)+H	1.1483	0.8517
PC(37:1)+H	0.8368	1.1632
PC(37:2e)+H	0.9672	1.0328
PC(37:2e)+Na	1.0255	0.9745
PC(37:2)+H	0.8985	1.1015
PC(37:3e)+H	1.0703	0.9297
PC(37:3e)+Na	0.8795	1.1205
PC(37:3)+H	1.0669	0.9331
PC(37:4e)+H	0.8757	1.1243
PC(37:4e)+Na	0.8714	1.1286
PC(37:4)+H	0.9126	1.0874
PC(37:5e)+H	0.8019	1.1981
PC(37:6)+H	0.7282	1.2718
PC(38:0)+H	0.9374	1.0626
PC(38:1_8:0)+H	0.8925	1.1075
PC(38:1e)+H	1.0952	0.9048
PC(38:1)+H	1.7115	0.2885
PC(38:1)+Na	0.9558	1.0442
PC(38:2e)+H	1.0985	0.9015
PC(38:2)+H	1.3233	0.6767
PC(38:4e)+H	1.0606	0.9394
PC(38:4)+H	1.0325	0.9675
PC(38:4)+Na	0.8093	1.1907
PC(38:5e)+Na	0.8136	1.1864
PC(38:5)+H	0.4700	1.5300
PC(38:6e)+H	0.6999	1.3001
PC(38:6)+H	0.8680	1.1320
PC(38:7e)+H	0.7993	1.2007
PC(38:7)+H	0.9278	1.0722
PC(38:9)+H	0.6145	1.3855
PC(39:0e)+H	1.4743	0.5257
PC(39:0)+Na	1.1348	0.8652
PC(39:1)+H	0.9341	1.0659
PC(39:2e)+H	1.0745	0.9255
PC(39:2e)+Na	1.3133	0.6867
PC(39:2)+Na	0.7461	1.2539
PC(39:3e)+H	1.3970	0.6030
PC(39:3e)+Na	0.9835	1.0165
PC(39:3)+H	1.0585	0.9415
PC(39:4e)+H	1.0480	0.9520
PC(39:4e)+Na	0.8888	1.1112
PC(39:4)+H	0.7806	1.2194
PC(39:5e)+H	1.0603	0.9397
PC(39:5)+H	1.0969	0.9031
PC(39:5)+Na	1.0643	0.9357
PC(39:6)+H	0.8504	1.1496
PC(39:7)+H	0.9643	1.0357
PC(40:0)+H	1.5499	0.4501
PC(40:0)+Na	1.2253	0.7747
PC(40:1e)+Na	1.2973	0.7027
PC(40:2e)+H	0.9301	1.0699
PC(40:2)+H	1.1002	0.8998
PC(40:3e)+H	1.0798	0.9202
PC(40:3)+H	1.1248	0.8752
PC(40:4e)+Na	0.9651	1.0349
PC(40:4)+H	0.9977	1.0023
PC(40:6e)+H	0.9772	1.0228
PC(40:6)+H	1.0492	0.9508
PC(40:6)+Na	0.8934	1.1066
PC(40:7e)+H	0.8625	1.1375
PC(40:7)+H	0.7737	1.2263
PC(40:8e)+H	0.8283	1.1717
PC(40:9e)+H	0.8588	1.1412
PC(41:2e)+H	1.1032	0.8968
PC(41:2e)+Na	1.0360	0.9640
PC(41:2)+H	1.1384	0.8616
PC(41:3e)+H	1.0948	0.9052
PC(41:3e)+Na	0.7885	1.2115
PC(41:4e)+H	1.0240	0.9760
PC(41:4)+H	1.0553	0.9447
PC(41:5e)+H	0.9289	1.0711
PC(41:5)+H	0.8141	1.1859
PC(41:6)+H	0.6561	1.3439
PC(41:7)+H	0.8272	1.1728
PC(42:0e)+H	1.1627	0.8373
PC(42:11)+H	0.7755	1.2245
PC(42:1e)+Na	1.0887	0.9113
PC(42:1)+H	1.1713	0.8287
PC(42:2e)+H	1.2815	0.7185
PC(42:4e)+Na	0.8512	1.1488
PC(42:4)+H	1.1372	0.8628
PC(42:5e)+H	1.2550	0.7450
PC(42:5)+H	0.9063	1.0937
PC(42:6e)+H	0.9720	1.0280
PC(42:6)+H	0.8213	1.1787
PC(42:7e)+H	0.9702	1.0298
PC(42:7)+H	1.0561	0.9439
PC(42:8e)+H	1.2187	0.7813
PC(42:8)+H	0.9568	1.0432
PC(42:9)+H	1.0285	0.9715
PC(43:2e)+H	0.8322	1.1678
PC(43:2)+H	1.0957	0.9043
PC(43:3e)+H	1.5862	0.4138
PC(43:3e)+Na	0.9580	1.0420
PC(43:3)+H	1.1356	0.8644
PC(43:4e)+H	1.0386	0.9614
PC(43:5e)+H	1.0394	0.9606
PC(43:5)+H	0.8385	1.1615
PC(43:6)+H	0.7725	1.2275
PC(43:7)+H	0.6477	1.3523
PC(44:0e)+Na	1.0133	0.9867
PC(44:10)+H	0.7834	1.2166
PC(44:11)+H	0.9549	1.0451
PC(44:12)+H	0.7470	1.2530
PC(44:2e)+H	1.2024	0.7976
PC(44:2e)+Na	0.9758	1.0242
PC(44:3e)+H	1.0146	0.9854
PC(44:3e)+Na	0.9967	1.0033
PC(44:3)+H	1.3424	0.6576
PC(44:4e)+H	1.3876	0.6124
PC(44:4)+H	0.9823	1.0177
PC(44:5e)+H	1.2212	0.7788
PC(44:5)+H	1.0590	0.9410
PC(44:6e)+H	0.9541	1.0459
PC(44:6)+H	0.9121	1.0879
PC(44:8)+H	0.8334	1.1666
PC(46:3)+H	1.1033	0.8967
PC(46:4)+H	1.1505	0.8495
PC(46:5)+H	0.9853	1.0147
PC(46:6)+H	0.9423	1.0577
PC(46:7)+H	0.9037	1.0963
PC(46:8)+H	0.9539	1.0461
PC(48:2)+H	0.7915	1.2085
PC(48:6)+H	0.6369	1.3631
PC(48:7)+H	0.4949	1.5051
PC(50:6)+H	0.6185	1.3815
PC(52:7)+H	0.1828	1.8172
PC(8:0e_11:2)+H	1.4247	0.5753
PC(8:0e_16:0)+H	0.8895	1.1105
PC(8:0e_8:0)+H	0.6342	1.3658
PC(8:1e_10:0)+H	0.8231	1.1769
PC(8:1e_10:1)+H	0.7271	1.2729
PC(8:1e_12:3)+H	0.6281	1.3719
PC(8:1e_14:4)+H	0.5014	1.4986
PC(8:1e_21:0)+H	0.2404	1.7596
PC(8:1e_22:1)+H	0.8087	1.1913
PC(8:1e_23:0)+H	1.0128	0.9872
PC(8:1e_24:2)+H	0.7819	1.2181
PC(8:1e_24:2)+Na	0.8379	1.1621
PC(8:1e_8:0)+H	0.6924	1.3076
PC(9:0_12:3)+H	1.2670	0.7330
P-coumaric acid	1.0011	0.9989
PE(10:0_11:2)+Na	0.8017	1.1983
PE(10:0_11:3)+Na	0.8925	1.1075
PE(10:0e_10:2)+Na	0.7976	1.2024
PE(10:0p_21:0)+H	0.8650	1.1350
PE(10:0p_23:0)+H	0.9633	1.0367
PE(10:0p_23:1)+H	0.8321	1.1679
PE(10:0p_6:0)+H	0.7032	1.2968
PE(10:1e_10:2)+Na	0.9214	1.0786
PE(10:1e_22:1)+Na	0.9146	1.0854
PE(12:0p_23:0)+H	0.8687	1.1313
PE(12:0p_24:0)+H	0.8914	1.1086
PE(12:0p_6:0)+H	0.7947	1.2053
PE(12:1e_23:0)+Na	0.8436	1.1564
PE(14:0e_21:0)+Na	0.9143	1.0857
PE(14:0e_23:0)+Na	0.9101	1.0899
PE(14:0p_20:4)+H	0.9601	1.0399
PE(14:0p_6:0)+H	1.0138	0.9862
PE(14:1e_21:0)+Na	0.8553	1.1447
PE(14:1e_21:1)+Na	0.8278	1.1722
PE(14:1e_22:0)+Na	0.8516	1.1484
PE(14:1e_24:1)+Na	0.8811	1.1189
PE(14:1e_6:0)+Na	1.1340	0.8660
PE(16:0_17:0)+Na	0.7833	1.2167
PE(16:0_18:1)+Na	0.8804	1.1196
PE(16:0_18:2)+Na	0.8315	1.1685
PE(16:0e_18:1)+Na	0.8735	1.1265
PE(16:0e_22:2)+Na	0.9796	1.0204
PE(16:0e)+H	0.7057	1.2943
PE(16:0p_14:0)+H	0.7412	1.2588
PE(16:0p_16:0)+H	0.7730	1.2270
PE(16:0p_16:1)+H	0.8195	1.1805
PE(16:0p_17:0)+H	1.0983	0.9017
PE(16:0p_17:1)+H	0.8567	1.1433
PE(16:0p_18:1)+H	0.8666	1.1334
PE(16:0p_18:2)+H	0.7513	1.2487
PE(16:0p_18:3)+H	0.9494	1.0506
PE(16:0p_19:1)+H	0.9224	1.0776
PE(16:0p_20:3)+H	1.0200	0.9800
PE(16:0p_20:4)+H	0.8856	1.1144
PE(16:0p_20:5)+H	0.9296	1.0704
PE(16:0p_22:2)+H	1.0123	0.9877
PE(16:0p_22:4)+H	0.9149	1.0851
PE(16:0p_22:5)+H	0.8458	1.1542
PE(16:1e_17:0)+Na	1.1367	0.8633
PE(16:1e_18:1)+Na	0.9909	1.0091
PE(16:1e_21:0)+Na	0.8698	1.1302
PE(16:1e_22:2)+Na	0.8847	1.1153
PE(16:1e_22:3)+Na	1.0150	0.9850
PE(16:1p_22:6)+H	0.7364	1.2636
PE(17:0_18:1)+Na	0.8961	1.1039
PE(17:0_18:2)+Na	0.7401	1.2599
PE(17:0_20:4)+H	0.8961	1.1039
PE(17:0_20:5)+H	0.7084	1.2916
PE(18:0_16:0)+Na	1.0148	0.9852
PE(18:0_17:0)+Na	1.0185	0.9815
PE(18:0_18:0)+Na	1.1226	0.8774
PE(18:0_18:1)+Na	1.0021	0.9979
PE(18:0_20:3)+H	1.1277	0.8723
PE(18:0_20:3)+Na	0.7284	1.2716
PE(18:0e_18:0)+Na	0.8686	1.1314
PE(18:0e_18:1)+Na	0.9247	1.0753
PE(18:0e_20:3)+Na	0.7309	1.2691
PE(18:0e)+H	0.9057	1.0943
PE(18:0p_16:0)+H	0.7258	1.2742
PE(18:0p_18:1)+H	0.8961	1.1039
PE(18:0p_18:2)+H	1.0437	0.9563
PE(18:0p_20:1)+H	0.9451	1.0549
PE(18:0p_20:2)+H	1.2613	0.7387
PE(18:0p_20:3)+H	1.0881	0.9119
PE(18:0p_22:1)+H	0.9544	1.0456
PE(18:0p_22:2)+H	1.1952	0.8048
PE(18:0p_22:4)+H	0.9815	1.0185
PE(18:0p_22:5)+H	0.8807	1.1193
PE(18:0p_22:6)+H	0.8858	1.1142
PE(18:1_18:1)+Na	0.9153	1.0847
PE(18:1_18:2)+Na	0.9597	1.0403
PE(18:1_22:0)+Na	0.7804	1.2196
PE(18:1_22:6)+Na	1.1134	0.8866
PE(18:1_24:0)+Na	0.7441	1.2559
PE(18:1e_17:0)+Na	1.0912	0.9088
PE(18:1e_20:4)+H	0.8337	1.1663
PE(18:1e_22:1)+Na	0.9818	1.0182
PE(18:1e_22:3)+Na	1.1146	0.8854
PE(18:1p_17:1)+H	0.9463	1.0537
PE(18:1p_18:1)+H	0.8560	1.1440
PE(18:1p_18:1)+Na	0.8441	1.1559
PE(18:1p_18:2)+Na	0.8392	1.1608
PE(18:1p_19:1)+H	0.8845	1.1155
PE(18:1p_20:2)+H	1.0055	0.9945
PE(18:1p_20:2)+Na	0.7662	1.2338
PE(18:1p_20:3)+H	0.8234	1.1766
PE(18:1p_20:5)+H	0.9108	1.0892
PE(18:1p_22:2)+H	1.2709	0.7291
PE(18:1p_22:2)+Na	0.8290	1.1710
PE(18:1p_22:3)+Na	1.0254	0.9746
PE(18:1p_22:5)+H	1.1527	0.8473
PE(18:1p_22:6)+H	0.9092	1.0908
PE(18:1p_24:1)+H	1.1102	0.8898
PE(18:2e_17:1)+H	1.0907	0.9093
PE(18:2e_19:0)+Na	0.6438	1.3562
PE(19:0_22:6)+H	0.6161	1.3839
PE(19:1)+H	0.8636	1.1364
PE(20:0p_20:4)+H	0.8739	1.1261
PE(20:0p_22:5)+H	0.8936	1.1064
PE(20:0p_22:6)+H	0.8792	1.1208
PE(20:1p_22:5)+H	0.8392	1.1608
PE(20:2_24:2)+Na	0.8409	1.1591
PE(20:3_18:2)+Na	0.9383	1.0617
PE(20:3_22:1)+Na	0.3095	1.6905
PE(20:3e_17:0)+Na	0.6481	1.3519
PE(20:3e_17:1)+H	1.0376	0.9624
PE(20:3e_18:1)+Na	0.8544	1.1456
PE(22:2_20:4)+Na	0.4494	1.5506
PE(22:6_22:6)+H	0.8831	1.1169
PE(23:2)+H	1.5050	0.4950
PE(28:0_21:0)+Na	0.7608	1.2392
PE(33:0e)+Na	0.7770	1.2230
PE(33:1e)+Na	0.8428	1.1572
PE(34:0e)+Na	0.7522	1.2478
PE(34:4)+H	0.7443	1.2557
PE(35:0_16:1)+H	0.8076	1.1924
PE(35:0e)+H	0.7098	1.2902
PE(35:1e)+Na	0.8050	1.1950
PE(35:2e)+Na	0.7404	1.2596
PE(35:3e)+Na	0.4671	1.5329
PE(36:4)+Na	0.7542	1.2458
PE(37:0_14:3)+H	0.7831	1.2169
PE(37:1_16:1)+H	0.8225	1.1775
PE(37:2e)+Na	0.8449	1.1551
PE(37:3e)+Na	0.8394	1.1606
PE(37:4e)+Na	1.0512	0.9488
PE(37:5e)+H	0.8765	1.1235
PE(38:0_14:3)+Na	0.8571	1.1429
PE(38:1)+Na	0.8010	1.1990
PE(38:4)+Na	0.9715	1.0285
PE(39:1e)+H	1.1021	0.8979
PE(39:3e)+Na	1.0936	0.9064
PE(39:3)+Na	0.8264	1.1736
PE(39:4e)+Na	0.7711	1.2289
PE(39:5e)+H	0.8069	1.1931
PE(39:5e)+Na	0.6178	1.3822
PE(40:3e)+Na	0.8008	1.1992
PE(40:7e)+H	0.7382	1.2618
PE(41:1e)+H	1.0132	0.9868
PE(41:1)+Na	1.1371	0.8629
PE(41:5e)+H	0.8809	1.1191
PE(42:6e)+H	0.7609	1.2391
PE(42:7e)+H	0.7702	1.2298
PE(42:7e)+Na	0.7585	1.2415
PE(43:2e)+Na	0.9414	1.0586
PE(43:4)+Na	0.8667	1.1333
PE(44:1e)+Na	1.0060	0.9940
PE(46:8)+Na	0.9334	1.0666
PE(49:1)+H	0.6184	1.3816
PE(51:0)+H	0.8353	1.1647
PE(53:1)+H	0.6505	1.3495
PE(53:3)+H	0.7677	1.2323
PE(53:4)+H	0.7164	1.2836
PE(8:0_11:1)+Na	0.8877	1.1123
PE(8:0_11:2)+Na	1.0191	0.9809
PE(8:0e_10:2)+Na	0.5882	1.4118
PE(8:1e_10:0)+Na	0.8907	1.1093
PE(8:1e_12:3)+Na	0.8112	1.1888
Pentapropylene glycol	1.0578	0.9422
Peonidin-3,5-o-di-beta-glucoside	1.1460	0.8540
Perifosine	0.9304	1.0696
Perindopril	0.9808	1.0192
Permethrin	1.2378	0.7622
PG(10:0)+H	0.8666	1.1334
PG(14:0)+H	0.8098	1.1902
PG(16:0_16:0)+NH4	1.1035	0.8965
PG(16:0e)+Na	0.9683	1.0317
PG(16:1_12:3)+NH4	0.8980	1.1020
PG(16:2e_12:3)+NH4	0.9594	1.0406
PG(17:0_17:0)+H	0.8410	1.1590
PG(18:0_18:1)+H	0.8907	1.1093
PG(18:0)+H	0.8354	1.1646
PG(18:1_18:1)+Na	0.9665	1.0335
PG(18:4_22:6)+H	0.5487	1.4513
PG(24:2)+NH4	0.9563	1.0437
PG(33:1)+NH4	0.8351	1.1649
PG(38:2)+NH4	0.9372	1.0628
PG(38:4)+Na	0.6630	1.3370
PG(40:1)+NH4	0.9362	1.0638
PG(8:0e_8:0)+NH4	0.9129	1.0871
Phe-Ala-Leu	0.7533	1.2467
Phe-Ala-Ser	0.6118	1.3882
Phe-gly	0.4614	1.5386
Phenacetin	1.6138	0.3862
Phenamil	1.0134	0.9866
Phenanthridine	0.7767	1.2233
Pheniramine	1.0971	0.9029
Phenylacetaldehyde	0.5059	1.4941
Phenylacetylglycine	0.9987	1.0013
Phenyl salicylate	0.9768	1.0232
Pheophorbide a	1.5777	0.4223
Phe-ser	0.8663	1.1337
Phe-Ser-Lys	0.4549	1.5451
Phlorizin	0.8885	1.1115
Phosphocholine	1.0674	0.9326
Phosphocreatine	1.3381	0.6619
Phosphoglycolic acid	0.8478	1.1522
Phosphonic acid, p-[2-[3-[[(1-benzoyl-4-piperidinyl)methylamino]carbonyl]-2-naphthalenyl]-1-(1-naphthalenyl)-2-oxoethyl]-	1.4233	0.5767
Phosphorylcholine	0.9614	1.0386
phSM(d44:5)+H	1.0661	0.9339
phSM(t37:2)+H	0.8195	1.1805
phSM(t39:2)+H	0.6520	1.3480
phSM(t40:1)+H	1.0808	0.9192
phSM(t40:2)+H	1.1664	0.8336
phSM(t42:5)+H	0.9908	1.0092
Phthalic acid Mono-2-ethylhexyl Ester	0.9681	1.0319
Phytosphingosine	0.9141	1.0859
PI(10:0e_20:3)+Na	0.8425	1.1575
PI(16:0_18:1)+Na	0.7248	1.2752
PI(16:0_18:2)+Na	0.6016	1.3984
PI(16:0_22:5)+NH4	0.6835	1.3165
PI(17:0_18:1)+Na	0.6744	1.3256
PI(17:0_20:4)+H	0.6886	1.3114
PI(17:0_22:4)+NH4	0.6575	1.3425
PI(18:0_16:0)+Na	0.8955	1.1045
PI(18:0_17:0)+Na	0.8473	1.1527
PI(18:0_18:0)+Na	0.9635	1.0365
PI(18:0_18:1)+Na	0.7906	1.2094
PI(18:0_20:1)+Na	0.5884	1.4116
PI(18:0_20:2)+H	1.1327	0.8673
PI(18:0_22:3)+NH4	0.8557	1.1443
PI(18:0_22:4)+NH4	0.7155	1.2845
PI(18:0_22:5)+NH4	0.9858	1.0142
PI(18:0_22:6)+NH4	0.5951	1.4049
PI(18:1_18:1)+Na	0.8014	1.1986
PI(18:1_18:2)+Na	0.6598	1.3402
PI(18:1_20:2)+H	0.8259	1.1741
PI(18:1_20:2)+NH4	0.6556	1.3444
PI(18:1_20:3)+H	0.8859	1.1141
PI(18:1_20:3)+NH4	0.7824	1.2176
PI(18:1_22:4)+NH4	0.8315	1.1685
PI(20:1_18:1)+NH4	0.5990	1.4010
PI(22:3_11:2)+NH4	0.2893	1.7107
PI(32:1)+Na	0.3719	1.6281
PI(40:4)+NH4	0.8749	1.1251
Picolinic acid	1.1237	0.8763
Picroside i	0.9553	1.0447
Pidotimod	1.3539	0.6461
Pirinixic acid aminothiazole	1.3447	0.6553
Platensimycin	0.8882	1.1118
Podophyllotoxin	1.4082	0.5918
Posaconazole	0.9365	1.0635
Pregabalin	1.1151	0.8849
Prim-o-glucosylcimifugin	0.9153	1.0847
Pristimerin	0.9569	1.0431
Pro-Ala	0.4942	1.5058
Pro-arg	1.1991	0.8009
Pro-asn	0.8809	1.1191
Pro-Asp	1.0097	0.9903
Progesterone 3-biotin	0.5910	1.4090
Pro-gln	0.9389	1.0611
Pro-Gln-Lys	1.0096	0.9904
Pro-Glu	0.8647	1.1353
Pro-Gly-Pro	0.8641	1.1359
Pro-hyp	1.3475	0.6525
Pro-leu	1.2174	0.7826
Promethazine	1.3246	0.6754
Propanoic acid, 2-(1h-benzimidazol-2-ylthio)-, 2-[(5-bromo-2-hydroxyphenyl)methylene]hydrazide	0.7422	1.2578
Propanoic acid, 2-[[4-[2-[[(cyclohexylamino)carbonyl](4-cyclohexylbutyl)amino]ethyl]phenyl]thio]-2-methyl-	0.9802	1.0198
Pro-phe	1.2875	0.7125
Proscillaridin a	1.0233	0.9767
Pro-ser	1.1433	0.8567
Pro-Ser-Arg	0.9102	1.0898
Prostaglandin e2 p-benzamidophenyl ester	0.6366	1.3634
Prostaglandin f1.alpha. alcohol	1.1231	0.8769
Pro-Thr	0.6922	1.3078
Pro-Thr-Arg	0.9119	1.0881
Pro-Thr-Lys	1.0239	0.9761
Protoporphyrin ix	0.8653	1.1347
Pro-Trp	0.9700	1.0300
Pro-Trp-Arg	0.9091	1.0909
Pro-Tyr	0.9949	1.0051
PS(12:0e_6:0)+H	1.1978	0.8022
PS(12:1e_6:0)+H	0.8983	1.1017
PS(16:0_16:1)+H	1.0008	0.9992
PS(16:0_18:1)+Na	0.8939	1.1061
PS(16:0_20:3)+Na	0.8033	1.1967
PS(17:0_20:3)+Na	0.8566	1.1434
PS(18:0_18:1)+Na	0.9439	1.0561
PS(18:0_22:3)+Na	1.1757	0.8243
PS(18:0_24:0)+H	0.5813	1.4187
PS(18:0e_18:0)+H	1.7492	0.2508
PS(18:1_18:1)+Na	0.9458	1.0542
PS(18:1_20:2)+Na	0.8199	1.1801
PS(18:1_20:3)+Na	0.9512	1.0488
PS(18:1_24:0)+H	1.2408	0.7592
PS(38:2)+Na	0.6507	1.3493
PS(38:3e)+Na	1.2504	0.7496
PS(40:2)+Na	0.6222	1.3778
PS(42:7)+Na	0.3966	1.6034
PS(44:7)+Na	0.3284	1.6716
Psilocin	1.2269	0.7731
Psychosine	0.9094	1.0906
Pteryxin	0.4942	1.5058
Pyridine	1.0711	0.9289
Pyridoxine	1.2909	0.7091
Pyripyropene a	0.7919	1.2081
Pyroglu-Arg-Arg	1.0198	0.9802
Pyroglu-Cys	1.8373	0.1627
Pyroglu-Cys-Arg	0.8450	1.1550
Pyroglu-Cys-Lys	0.8405	1.1595
Pyroglu-tyr	1.3376	0.6624
Pyroglu-val	0.6559	1.3441
Pyrrolidine	1.0489	0.9511
Quinapril	1.1316	0.8684
Quizalofop	0.9491	1.0509
(r)-(+)-arachidonyl-1^-hydroxy-2^-propylamide	1.0308	0.9692
Reserpine	0.7212	1.2788
Resibufogenin	0.9993	1.0007
Resveratrol dimer	0.3418	1.6582
Riboflavin	1.2966	0.7034
Rucaparib	0.5785	1.4215
S-(2-boronoethyl)-l-cysteine	0.8633	1.1367
S-adenosyl-l-methionine	1.0107	0.9893
S-Adenosylmethionine	0.9759	1.0241
Salannin	0.6863	1.3137
Sarcosine	0.8887	1.1113
Schizandrin b	0.8421	1.1579
Sciadopitysin	0.8065	1.1935
Scytophycin b	0.8703	1.1297
Sebacic acid	0.9738	1.0262
Secoisolariciresinol	0.7666	1.2334
Secoisolariciresinol diglucoside	0.9531	1.0469
Sepiapterin	1.2458	0.7542
Ser-Arg	0.5075	1.4925
Ser-Asn-Arg	1.0722	0.9278
Ser-Glu	0.9489	1.0511
Serotonin	1.5190	0.4810
Ser-Pro-Lys	0.9591	1.0409
Ser-Ser-Arg	0.9002	1.0998
Ser-Thr	0.4521	1.5479
Sertraline carbamoyl glucuronide	1.0773	0.9227
Ser-Trp-Arg	0.6373	1.3627
Siduron	1.5106	0.4894
Sildenafil	0.8473	1.1527
Silybin	1.1194	0.8806
Simmondsin 2^-ferulate	0.9815	1.0185
S-lactoylglutathione	0.8620	1.1380
SM(d14:0_20:1)+H	1.2737	0.7263
SM(d18:0_19:1)+H	1.0360	0.9640
SM(d18:1_21:0)+H	0.8833	1.1167
SM(d18:1_22:3)+H	0.5068	1.4932
SM(d18:1_22:4)+H	0.8544	1.1456
SM(d18:1_24:2)+H	0.7427	1.2573
SM(d18:2_24:2)+H	0.8574	1.1426
SM(d19:0_24:5)+H	0.7889	1.2111
SM(d20:0_22:1)+H	1.0524	0.9476
SM(d20:1_14:0)+H	0.9060	1.0940
SM(d20:1_21:0)+H	1.0595	0.9405
SM(d20:1_24:2)+H	1.1181	0.8819
SM(d20:1_24:3)+H	0.9269	1.0731
SM(d30:0)+H	1.0159	0.9841
SM(d32:4)+H	1.0100	0.9900
SM(d33:1)+H	1.0730	0.9270
SM(d34:1)+H	0.8266	1.1734
SM(d34:3)+H	1.2659	0.7341
SM(d34:4)+H	0.9128	1.0872
SM(d34:5)+H	0.9286	1.0714
SM(d35:4)+H	0.9118	1.0882
SM(d35:5)+H	0.6728	1.3272
SM(d36:1)+H	1.1308	0.8692
SM(d36:3)+H	0.1820	1.8180
SM(d36:4)+H	0.9128	1.0872
SM(d36:5)+H	0.8883	1.1117
SM(d37:6)+H	1.0195	0.9805
SM(d38:1)+H	1.0616	0.9384
SM(d40:1)+H	0.8837	1.1163
SM(d41:1)+H	1.1130	0.8870
SM(d41:3)+H	0.7574	1.2426
SM(d42:1)+H	1.1143	0.8857
SM(d42:2)+H	0.9534	1.0466
SM(d42:3)+H	0.5532	1.4468
SM(d42:5)+H	0.7135	1.2865
SM(d43:2)+H	0.9640	1.0360
SM(d43:3)+H	0.9280	1.0720
SM(d43:4)+H	1.0333	0.9667
SM(d44:2)+H	1.5063	0.4937
SM(d44:4)+H	0.7534	1.2466
SM(d44:5)+H	0.8020	1.1980
SM(d44:6)+H	0.6667	1.3333
S-methyl-5^-thioadenosine	0.8863	1.1137
SM(t18:0_20:0)+H	1.1256	0.8744
SM(t32:0)+H	0.8856	1.1144
SM(t33:2)+H	0.8584	1.1416
SM(t34:0)+H	0.9481	1.0519
SM(t35:1)+H	0.9085	1.0915
SM(t36:0)+H	0.9978	1.0022
SM(t36:1)+H	1.1567	0.8433
SM(t36:4)+H	0.7889	1.2111
SM(t36:5)+H	0.7241	1.2759
SM(t37:0)+H	1.1247	0.8753
SM(t38:1)+H	1.1065	0.8935
SM(t38:2)+H	1.0419	0.9581
SM(t40:2)+H	0.9104	1.0896
SM(t40:3)+H	1.2495	0.7505
SM(t40:6)+H	0.8193	1.1807
SM(t41:5)+H	0.9495	1.0505
SM(t41:6)+H	0.9786	1.0214
SM(t42:5)+H	1.1157	0.8843
SM(t42:6)+H	1.0172	0.9828
SM(t42:7)+H	0.8669	1.1331
Sn-glycerol-3-phosphoethanolamine	1.0649	0.9351
Solasodine base + 2h, 2o, 1acetyl, o-hex-hex-hex-pen	0.9161	1.0839
Spermidine	1.0365	0.9635
SPH(d14:1)+H	0.8646	1.1354
SPH(d15:0)+H	0.9476	1.0524
SPH(d15:1)+H	1.4188	0.5812
SPH(d16:0)+H	0.9111	1.0889
SPH(d16:1)+H	0.9799	1.0201
SPH(d16:2)+H	0.9070	1.0930
SPH(d17:0)+H	0.8900	1.1100
SPH(d17:1)+H	1.0110	0.9890
SPH(d18:0)+H	0.8233	1.1767
SPH(d18:1)+H	1.0244	0.9756
SPH(d18:1)+H-H2O	0.7898	1.2102
SPH(d18:2)+H	0.9925	1.0075
SPH(d18:2)+H-H2O	1.0420	0.9580
SPH(d19:0)+H	0.9272	1.0728
SPH(d19:0)+H-H2O	0.8873	1.1127
SPH(d20:0)+H	0.9250	1.0750
SPH(d20:1)+H	1.0153	0.9847
SPH(d22:0)+H	0.8865	1.1135
SPH(d22:1)+H	0.9764	1.0236
SPH(d22:2)+H	0.9128	1.0872
Sphingomyelin (d18:1/18:0)	0.9346	1.0654
Sphingosine	0.9693	1.0307
SPH(m17:0)+H	0.8531	1.1469
SPH(m17:1)+H	0.8329	1.1671
SPH(m17:1)+H-H2O	1.0386	0.9614
SPH(m18:0)+H	0.9865	1.0135
SPH(m19:0)+H	0.9803	1.0197
SPH(m19:1)+H	0.8905	1.1095
SPH(m20:0)+H	0.9160	1.0840
SPH(m20:1)+H	0.8383	1.1617
SPH(m21:0)+H	0.8825	1.1175
SPHP(d16:0)+H-H2O	0.9697	1.0303
SPHP(d16:1)+H-H2O	0.8472	1.1528
SPHP(d20:1)+H-H2O	0.8713	1.1287
SPH(t16:0)+H	0.8855	1.1145
SPH(t16:1)+H-H2O	1.0527	0.9473
SPH(t17:0)+H	0.6486	1.3514
SPH(t17:1)+H	0.9252	1.0748
SPH(t18:0)+H	0.8945	1.1055
SPH(t18:0)+H-H2O	0.6240	1.3760
SPH(t18:1)+H	0.9212	1.0788
SPH(t18:1)+H-H2O	0.7417	1.2583
SPH(t20:0)+H	1.0039	0.9961
Spiramycin	1.1410	0.8590
Spirotetramat	0.6976	1.3024
Stachybocin c	0.8359	1.1641
Stachydrine	0.8786	1.1214
ST(d18:1_24:6)+H-H2O	0.9849	1.0151
ST(d18:2_26:6)+H-H2O	0.7779	1.2221
ST(d34:2+O)+Na	0.6107	1.3893
StE(24:7)+H	1.0642	0.9358
StE(33:6)+NH4	1.0082	0.9918
Stearamide	0.8635	1.1365
Stearidonic Acid	1.0781	0.9219
Stevioside	1.1670	0.8330
ST(m18:1_24:6)+H	0.8368	1.1632
ST(m19:1_21:3)+Na	0.8077	1.1923
ST(m43:5)+Na	1.1257	0.8743
Streptomycin a	0.8342	1.1658
ST(t16:0_18:2)+Na	0.6073	1.3927
ST(t16:0_20:2)+Na	0.8766	1.1234
ST(t16:0_20:3)+Na	0.5297	1.4703
Sulcotrione	0.6806	1.3194
Sulfallate	0.6244	1.3756
Sulfuretin	1.3843	0.6157
Sulindac	1.1291	0.8709
Sungucine	0.5307	1.4693
Surfactin b	1.1721	0.8279
Synephrine	0.9245	1.0755
Syrosingopine	0.6937	1.3063
Tamoxifen	0.7776	1.2224
.tau.-fluvalinate	0.9721	1.0279
Tauroursodeoxycholic acid	0.6051	1.3949
Testosterone cypionate	0.8266	1.1734
Tetracycline	0.7597	1.2403
Tetradecylamine	0.9692	1.0308
Tetraethylene glycol	1.0895	0.9105
Tetraethylene glycol monomethyl ether	0.9471	1.0529
Tetrahydrocurcumin	0.9451	1.0549
Tetrahydrofolate	1.0358	0.9642
Tetramethrin	1.2552	0.7448
Tetrandrine	0.6632	1.3368
TG(10:0_11:2_11:2)+H	0.8344	1.1656
TG(10:0_12:0_14:0)+NH4	0.7916	1.2084
TG(10:0_12:0_18:1)+NH4	1.1938	0.8062
TG(10:0_18:1_18:2)+NH4	0.7692	1.2308
TG(10:0_18:2_18:2)+NH4	0.8039	1.1961
TG(11:0_10:3_10:4)+NH4	0.9002	1.0998
TG(12:0_12:0_12:0)+NH4	0.8593	1.1407
TG(12:0_12:0_14:0)+NH4	0.2114	1.7886
TG(12:0_12:0_18:2)+NH4	0.8220	1.1780
TG(12:0_14:0_14:0)+NH4	1.0427	0.9573
TG(12:0_14:0_18:2)+NH4	0.8010	1.1990
TG(12:0e_16:0_22:1)+Na	0.8627	1.1373
TG(12:0e_18:1_22:1)+Na	1.1161	0.8839
TG(12:0e_18:2_20:5)+Na	1.1820	0.8180
TG(12:0e_18:2_22:5)+Na	1.0536	0.9464
TG(12:0e_20:3_22:5)+Na	0.8292	1.1708
TG(12:0e_20:3_22:6)+Na	0.8731	1.1269
TG(12:0e_20:5_20:5)+H	1.1830	0.8170
TG(12:0e_22:3_22:5)+Na	0.8259	1.1741
TG(12:0e_22:5_22:5)+H	0.9669	1.0331
TG(12:0e_6:0_20:4)+H	0.9609	1.0391
TG(12:0e_6:0_22:6)+H	0.7776	1.2224
TG(12:0e_8:0_12:0)+Na	0.7455	1.2545
TG(12:0e_8:0_22:5)+NH4	1.0328	0.9672
TG(12:1e_16:1_21:1)+NH4	0.7686	1.2314
TG(12:1e_18:1_18:1)+NH4	0.8511	1.1489
TG(12:1e_20:3_22:3)+Na	0.9791	1.0209
TG(12:1e_20:5_22:5)+H	0.9506	1.0494
TG(12:1e_22:5_22:5)+H	0.8992	1.1008
TG(12:1e_22:5_22:6)+H	0.8597	1.1403
TG(12:1e_6:0_18:1)+H	1.1225	0.8775
TG(12:1e_6:0_20:3)+H	1.1424	0.8576
TG(12:1e_6:0_22:6)+H	0.8777	1.1223
TG(13:0_12:3_12:3)+NH4	0.8865	1.1135
TG(14:0e_14:0_16:0)+NH4	1.2223	0.7777
TG(14:0e_6:0_15:0)+H	1.8318	0.1682
TG(14:1_10:1_12:2)+NH4	0.7617	1.2383
TG(14:1_10:4_10:4)+Na	0.8138	1.1862
TG(14:1e_17:1_22:5)+Na	0.8190	1.1810
TG(14:1e_20:0_20:4)+H	0.9224	1.0776
TG(14:1e_20:0_22:6)+H	0.8917	1.1083
TG(14:1e_22:5_22:5)+H	0.9014	1.0986
TG(15:0_14:0_16:0)+NH4	1.1352	0.8648
TG(15:0_14:0_16:1)+NH4	0.9605	1.0395
TG(15:0_14:0_18:1)+NH4	0.9715	1.0285
TG(15:0_16:0_16:0)+Na	1.2547	0.7453
TG(15:0_16:0_16:0)+NH4	1.1330	0.8670
TG(15:0_16:0_18:1)+NH4	1.0092	0.9908
TG(15:0_16:0_20:5)+NH4	0.5048	1.4952
TG(15:0_16:0_22:4)+H	0.9868	1.0132
TG(15:0_16:0_22:6)+NH4	0.8823	1.1177
TG(15:0_16:1_16:1)+NH4	1.1922	0.8078
TG(15:0_16:1_18:1)+NH4	0.8463	1.1537
TG(15:0_20:3_22:6)+NH4	0.8287	1.1713
TG(16:0_10:0_12:0)+NH4	1.2184	0.7816
TG(16:0_10:0_18:1)+NH4	0.9254	1.0746
TG(16:0_10:0_18:2)+NH4	0.8570	1.1430
TG(16:0_10:2_10:4)+NH4	1.0563	0.9437
TG(16:0_10:3_11:1)+NH4	0.5625	1.4375
TG(16:0_12:0_12:0)+NH4	0.8931	1.1069
TG(16:0_12:0_18:1)+NH4	0.7117	1.2883
TG(16:0_12:0_22:6)+NH4	0.8851	1.1149
TG(16:0_13:0_14:0)+NH4	0.9541	1.0459
TG(16:0_13:0_16:1)+NH4	0.8605	1.1395
TG(16:0_14:0_14:0)+NH4	1.1058	0.8942
TG(16:0_14:0_16:0)+NH4	1.1230	0.8770
TG(16:0_14:0_16:1)+NH4	0.9818	1.0182
TG(16:0_14:0_17:1)+Na	0.8576	1.1424
TG(16:0_14:0_18:1)+NH4	1.0098	0.9902
TG(16:0_14:0_22:6)+NH4	0.7449	1.2551
TG(16:0_14:1_16:1)+NH4	0.7945	1.2055
TG(16:0_16:0_16:0)+Na	0.7612	1.2388
TG(16:0_16:0_16:0)+NH4	1.0980	0.9020
TG(16:0_16:0_17:0)+NH4	1.1501	0.8499
TG(16:0_16:0_18:1)+Na	0.7320	1.2680
TG(16:0_16:0_18:1)+NH4	0.9943	1.0057
TG(16:0_16:1_18:1)+NH4	0.9031	1.0969
TG(16:0_16:1_22:5)+NH4	0.6616	1.3384
TG(16:0_16:1_22:6)+H	0.9315	1.0685
TG(16:0_16:1_22:6)+NH4	0.7456	1.2544
TG(16:0_17:0_18:1)+NH4	0.7790	1.2210
TG(16:0_17:0_22:6)+NH4	0.7563	1.2437
TG(16:0_17:1_18:1)+NH4	0.8722	1.1278
TG(16:0_17:1_22:6)+NH4	0.7984	1.2016
TG(16:0_18:1_18:1)+NH4	0.9071	1.0929
TG(16:0_18:1_19:0)+NH4	0.8833	1.1167
TG(16:0_18:1_20:1)+NH4	0.9861	1.0139
TG(16:0_18:1_22:5)+NH4	0.6957	1.3043
TG(16:0_18:1_22:6)+NH4	0.6232	1.3768
TG(16:0_18:1_24:0)+NH4	0.9895	1.0105
TG(16:0_18:3_22:6)+H	0.7118	1.2882
TG(16:0_20:4_20:4)+H	0.8692	1.1308
TG(16:0_20:4_22:6)+NH4	0.7781	1.2219
TG(16:0_22:5_22:6)+NH4	0.6865	1.3135
TG(16:0_22:6_22:6)+NH4	0.5715	1.4285
TG(16:0_22:6_24:1)+NH4	0.9230	1.0770
TG(16:0_6:0_18:1)+NH4	0.9504	1.0496
TG(16:0_9:0_18:1)+NH4	0.9148	1.0852
TG(16:0e_11:0_12:0)+NH4	0.9063	1.0937
TG(16:0e_14:0_16:0)+NH4	1.2233	0.7767
TG(16:0e_14:0_22:6)+NH4	0.9204	1.0796
TG(16:0e_15:0_16:0)+NH4	1.1594	0.8406
TG(16:0e_16:0_17:1)+NH4	1.0890	0.9110
TG(16:0e_16:0_18:1)+NH4	1.0408	0.9592
TG(16:0e_16:0_22:4)+H	1.0602	0.9398
TG(16:0e_16:0_22:6)+H	0.9253	1.0747
TG(16:0e_16:1_17:1)+NH4	1.1399	0.8601
TG(16:0e_16:1_18:1)+NH4	1.0526	0.9474
TG(16:0e_16:1_22:6)+NH4	0.9057	1.0943
TG(16:0e_17:1_18:1)+NH4	1.0389	0.9611
TG(16:0e_17:1_22:6)+NH4	0.7328	1.2672
TG(16:0e_18:1_22:4)+NH4	0.9086	1.0914
TG(16:0e_18:1_22:5)+NH4	0.8585	1.1415
TG(16:0e_19:1_22:6)+NH4	0.8681	1.1319
TG(16:0e_22:5_22:6)+NH4	0.8192	1.1808
TG(16:0e_22:6_22:6)+NH4	0.7673	1.2327
TG(16:1_11:2_22:6)+H	1.0774	0.9226
TG(16:1_12:0_17:1)+NH4	0.8386	1.1614
TG(16:1_12:0_18:1)+NH4	0.8597	1.1403
TG(16:1_13:0_18:1)+NH4	0.8386	1.1614
TG(16:1_14:0_18:1)+NH4	0.8609	1.1391
TG(16:1_14:0_20:4)+NH4	0.6248	1.3752
TG(16:1_14:0_22:6)+NH4	0.7579	1.2421
TG(16:1_14:1_17:1)+NH4	0.7757	1.2243
TG(16:1_14:1_18:1)+NH4	0.7569	1.2431
TG(16:1_16:1_17:1)+NH4	0.7633	1.2367
TG(16:1_16:1_18:1)+NH4	0.7741	1.2259
TG(16:1_16:1_18:2)+NH4	0.7499	1.2501
TG(16:1_16:1_22:0)+NH4	0.8750	1.1250
TG(16:1_16:1_22:6)+NH4	0.5590	1.4410
TG(16:1_17:1_18:1)+NH4	0.7851	1.2149
TG(16:1_17:1_18:2)+NH4	0.8212	1.1788
TG(16:1_18:1_18:1)+NH4	0.8335	1.1665
TG(16:1_18:1_18:2)+NH4	0.7415	1.2585
TG(16:1_18:1_18:3)+NH4	0.7333	1.2667
TG(16:1_18:1_20:3)+H	0.9993	1.0007
TG(16:1_18:1_22:6)+NH4	0.6789	1.3211
TG(16:1_18:2_22:6)+NH4	0.6176	1.3824
TG(16:1_20:1_22:2)+NH4	0.8024	1.1976
TG(16:1e_10:4_19:1)+H	1.0053	0.9947
TG(16:1e_14:0_16:0)+NH4	1.1108	0.8892
TG(16:1e_14:0_16:1)+NH4	1.2001	0.7999
TG(16:1e_17:1_18:1)+NH4	0.7835	1.2165
TG(16:2e_10:4_21:1)+H	0.8454	1.1546
TG(16:2e_18:1_22:6)+NH4	0.7490	1.2510
TG(17:0_18:1_18:1)+NH4	0.9713	1.0287
TG(17:0_18:1_20:1)+NH4	1.0406	0.9594
TG(17:0_18:1_22:0)+NH4	0.9725	1.0275
TG(17:0_18:1_22:6)+H	0.9192	1.0808
TG(17:0_6:0_11:4)+H	0.8627	1.1373
TG(18:0_10:2_18:1)+NH4	0.7157	1.2843
TG(18:0_10:3_11:1)+NH4	0.4684	1.5316
TG(18:0_10:4_18:0)+NH4	0.8015	1.1985
TG(18:0_12:0_16:1)+NH4	0.9405	1.0595
TG(18:0_12:2_18:1)+Na	1.0196	0.9804
TG(18:0_16:0_16:0)+Na	0.8390	1.1610
TG(18:0_16:0_16:0)+NH4	1.0787	0.9213
TG(18:0_16:0_17:0)+NH4	1.2309	0.7691
TG(18:0_16:0_18:1)+NH4	1.0096	0.9904
TG(18:0_16:1_21:0)+NH4	0.9710	1.0290
TG(18:0_17:0_18:1)+NH4	1.0990	0.9010
TG(18:0_18:0_22:6)+NH4	1.0342	0.9658
TG(18:0_18:1_22:1)+NH4	0.9256	1.0744
TG(18:0_18:1_22:5)+NH4	0.7818	1.2182
TG(18:0_18:1_22:6)+H	1.0168	0.9832
TG(18:0_20:1_22:6)+NH4	0.9233	1.0767
TG(18:0_22:5_22:6)+NH4	0.5826	1.4174
TG(18:0e_11:3_22:5)+Na	0.9368	1.0632
TG(18:0e_12:1_14:1)+NH4	1.2349	0.7651
TG(18:0e_16:0_16:0)+Na	0.9771	1.0229
TG(18:0e_18:1_22:6)+NH4	0.9414	1.0586
TG(18:0e_22:6_22:6)+NH4	0.7983	1.2017
TG(18:1_10:3_11:1)+NH4	0.6200	1.3800
TG(18:1_10:3_12:4)+Na	0.8730	1.1270
TG(18:1_10:4_22:6)+Na	1.0841	0.9159
TG(18:1_12:0_12:0)+NH4	1.0114	0.9886
TG(18:1_12:0_14:0)+NH4	0.9816	1.0184
TG(18:1_12:0_18:2)+NH4	0.7644	1.2356
TG(18:1_12:0_18:3)+NH4	0.8682	1.1318
TG(18:1_14:0_14:0)+NH4	0.9690	1.0310
TG(18:1_14:2_17:1)+NH4	0.8252	1.1748
TG(18:1_17:1_18:1)+NH4	0.8718	1.1282
TG(18:1_17:1_18:2)+NH4	0.8575	1.1425
TG(18:1_17:1_18:3)+NH4	0.7677	1.2323
TG(18:1_17:1_20:3)+NH4	0.6476	1.3524
TG(18:1_17:1_20:4)+H	0.8765	1.1235
TG(18:1_17:1_22:5)+NH4	1.0197	0.9803
TG(18:1_17:1_22:6)+NH4	0.7282	1.2718
TG(18:1_18:1_18:1)+NH4	0.9303	1.0697
TG(18:1_18:1_18:2)+NH4	0.8702	1.1298
TG(18:1_18:1_20:2)+NH4	0.8451	1.1549
TG(18:1_18:1_20:3)+NH4	0.9567	1.0433
TG(18:1_18:1_20:4)+NH4	0.8816	1.1184
TG(18:1_18:1_21:1)+NH4	0.6964	1.3036
TG(18:1_18:1_22:2)+NH4	1.0194	0.9806
TG(18:1_18:1_22:3)+NH4	1.0192	0.9808
TG(18:1_18:1_22:5)+NH4	0.8836	1.1164
TG(18:1_18:1_22:6)+H	0.9991	1.0009
TG(18:1_18:1_22:6)+NH4	0.9026	1.0974
TG(18:1_18:1_23:0)+NH4	0.9002	1.0998
TG(18:1_18:1_24:0)+NH4	0.9714	1.0286
TG(18:1_18:2_18:2)+NH4	0.7830	1.2170
TG(18:1_18:2_18:3)+NH4	0.9209	1.0791
TG(18:1_18:2_20:4)+H	0.9210	1.0790
TG(18:1_18:2_21:1)+NH4	0.7470	1.2530
TG(18:1_18:2_22:6)+NH4	0.7185	1.2815
TG(18:1_20:2_22:6)+NH4	0.8247	1.1753
TG(18:1_20:3_22:6)+NH4	0.7909	1.2091
TG(18:1_20:4_20:4)+H	0.7913	1.2087
TG(18:1_20:4_20:5)+H	0.9879	1.0121
TG(18:1_20:4_22:4)+H	0.7084	1.2916
TG(18:1_20:4_24:1)+NH4	0.9086	1.0914
TG(18:1_22:1_22:6)+NH4	0.7552	1.2448
TG(18:1_22:2_22:6)+NH4	0.8547	1.1453
TG(18:1_22:4_22:5)+NH4	0.7325	1.2675
TG(18:1_22:5_22:6)+NH4	0.6240	1.3760
TG(18:1_22:6_22:6)+Na	0.7451	1.2549
TG(18:1_22:6_22:6)+NH4	0.5527	1.4473
TG(18:1_22:6_24:1)+NH4	1.0179	0.9821
TG(18:1_22:6_24:2)+NH4	0.9401	1.0599
TG(18:1e_14:0_15:0)+NH4	0.8778	1.1222
TG(18:1e_14:0_16:0)+NH4	1.1237	0.8763
TG(18:1e_14:0_16:1)+NH4	1.0711	0.9289
TG(18:1e_16:0_18:1)+NH4	1.0292	0.9708
TG(18:1e_16:1_16:1)+NH4	0.8350	1.1650
TG(18:1e_16:1_18:1)+NH4	0.9950	1.0050
TG(18:1e_17:1_18:1)+NH4	1.0410	0.9590
TG(18:1e_18:1_18:1)+NH4	1.0362	0.9638
TG(18:1e_18:1_20:5)+H	0.8539	1.1461
TG(18:1e_18:1_22:4)+H	0.7436	1.2564
TG(18:1e_18:1_22:6)+NH4	0.8947	1.1053
TG(18:1e_22:6_22:6)+NH4	0.7563	1.2437
TG(18:1e_6:0_10:0)+Na	0.8442	1.1558
TG(18:2_10:3_12:4)+Na	0.9102	1.0898
TG(18:2e_10:3_18:1)+H	0.8785	1.1215
TG(18:2e_11:3_18:1)+H	0.9246	1.0754
TG(18:2e_17:1_18:1)+NH4	0.8646	1.1354
TG(18:2e_20:1_22:6)+NH4	0.8146	1.1854
TG(18:3_18:3_18:3)+Na	0.8801	1.1199
TG(18:3e_11:3_20:5)+Na	0.5225	1.4775
TG(18:3e_13:0_22:5)+Na	0.8824	1.1176
TG(18:3e_14:4_19:0)+Na	1.1071	0.8929
TG(18:3e_14:4_20:5)+NH4	0.9185	1.0815
TG(18:3e_16:1_16:1)+H	1.0297	0.9703
TG(18:3e_16:1_22:6)+H	0.9739	1.0261
TG(18:3e_17:0_20:5)+Na	0.8760	1.1240
TG(18:3e_17:1_20:5)+Na	0.8557	1.1443
TG(18:3e_17:1_22:6)+Na	0.8845	1.1155
TG(18:3e_18:1_22:6)+H	0.8731	1.1269
TG(18:3e_18:3_22:3)+Na	0.7624	1.2376
TG(18:3e_19:0_20:5)+Na	0.6865	1.3135
TG(18:3e_20:5_21:1)+Na	0.9421	1.0579
TG(18:4_10:2_10:4)+NH4	1.0437	0.9563
TG(18:4_10:3_16:1)+NH4	0.8874	1.1126
TG(18:4_10:4_10:4)+NH4	1.1043	0.8957
TG(18:4_10:4_11:2)+NH4	1.0193	0.9807
TG(19:0_18:1_18:1)+NH4	0.8849	1.1151
TG(19:0_18:1_20:1)+NH4	0.6950	1.3050
TG(19:0_6:0_11:4)+H	0.9979	1.0021
TG(19:1_11:3_22:4)+H	0.9696	1.0304
TG(19:1_18:1_18:1)+NH4	0.9784	1.0216
TG(19:1_18:1_18:2)+NH4	0.9531	1.0469
TG(19:1_18:1_20:1)+NH4	1.0281	0.9719
TG(19:1_18:1_20:2)+NH4	1.0542	0.9458
TG(19:1_18:1_20:3)+NH4	0.9106	1.0894
TG(19:1_18:1_20:4)+NH4	1.2135	0.7865
TG(19:1_18:1_22:2)+NH4	0.9967	1.0033
TG(19:1_18:1_22:3)+NH4	1.0926	0.9074
TG(19:1_18:1_22:4)+NH4	0.8369	1.1631
TG(19:1_18:1_22:5)+NH4	0.9485	1.0515
TG(19:1_18:1_22:6)+NH4	0.7848	1.2152
TG(19:1_20:1_22:6)+NH4	0.9713	1.0287
TG(20:0_13:0_22:5)+NH4	0.8244	1.1756
TG(20:0_18:1_18:1)+NH4	0.7574	1.2426
TG(20:1_18:1_18:1)+NH4	1.0093	0.9907
TG(20:1_18:1_20:1)+NH4	1.0328	0.9672
TG(20:1_18:1_22:3)+NH4	1.0512	0.9488
TG(20:1_18:1_22:4)+NH4	0.9161	1.0839
TG(20:1_18:1_22:5)+NH4	1.0325	0.9675
TG(20:1_18:1_22:6)+H	1.0021	0.9979
TG(20:1_18:1_22:6)+NH4	0.8307	1.1693
TG(20:1_22:5_22:6)+NH4	0.5102	1.4898
TG(20:1_22:5_24:2)+NH4	0.6284	1.3716
TG(20:1e_11:1_11:1)+Na	1.2775	0.7225
TG(20:1e_11:4_18:1)+H	0.8748	1.1252
TG(20:1e_18:1_22:5)+NH4	0.7607	1.2393
TG(20:1e_18:1_22:6)+NH4	0.9247	1.0753
TG(20:2_20:2_22:3)+Na	0.8704	1.1296
TG(20:2e_11:3_18:1)+H	0.5075	1.4925
TG(20:3e_11:2_22:5)+H	1.1777	0.8223
TG(20:3e_11:3_22:5)+H	0.9414	1.0586
TG(20:3e_12:3_22:5)+NH4	1.3428	0.6572
TG(20:3e_17:0_18:1)+NH4	1.1205	0.8795
TG(20:3e_17:0_18:4)+Na	0.8066	1.1934
TG(20:3e_18:1_22:6)+H	0.9205	1.0795
TG(20:4e_14:0_16:0)+NH4	0.8455	1.1545
TG(20:4e_14:4_19:1)+Na	0.8475	1.1525
TG(20:4e_16:0_16:0)+NH4	0.8989	1.1011
TG(20:4e_16:1_17:1)+NH4	0.7537	1.2463
TG(20:4e_17:0_18:1)+NH4	0.8038	1.1962
TG(20:4e_17:1_18:1)+NH4	1.0629	0.9371
TG(20:4e_18:1_19:0)+NH4	0.9621	1.0379
TG(20:4e_18:1_19:1)+NH4	0.8700	1.1300
TG(20:4e_18:1_21:1)+NH4	0.5674	1.4326
TG(20:4e_18:1_22:6)+H	0.8539	1.1461
TG(20:4e_18:4_19:1)+Na	0.9839	1.0161
TG(20:4e_20:4_20:4)+H	0.8777	1.1223
TG(20:4e_21:1_21:1)+Na	1.0461	0.9539
TG(21:0_10:4_11:3)+H	0.2441	1.7559
TG(22:5_18:2_18:2)+NH4	0.6424	1.3576
TG(22:6_10:3_12:1)+NH4	0.8887	1.1113
TG(22:6_10:3_14:4)+Na	0.5449	1.4551
TG(22:6_12:4_14:3)+Na	0.6879	1.3121
TG(23:3)+NH4	0.1073	1.8927
TG(25:1_17:1_18:1)+NH4	0.7557	1.2443
TG(27:0_11:1_11:2)+NH4	0.7742	1.2258
TG(27:1_17:1_18:1)+NH4	0.8212	1.1788
TG(27:1_8:0_14:4)+Na	0.9331	1.0669
TG(29:0_11:1_22:6)+NH4	0.7589	1.2411
TG(29:1_10:4_11:3)+H	0.7026	1.2974
TG(29:7)+Na	0.9874	1.0126
TG(30:0_8:0_18:1)+NH4	0.9783	1.0217
TG(30:1_6:0_11:1)+NH4	0.8319	1.1681
TG(30:2)+H	0.8637	1.1363
TG(31:7)+NH4	1.2185	0.7815
TG(34:3e)+H	0.7466	1.2534
TG(34:9)+Na	0.8123	1.1877
TG(37:10e)+Na	0.8593	1.1407
TG(37:1)+H	1.7720	0.2280
TG(38:10)+NH4	1.1123	0.8877
TG(38:7)+Na	0.8709	1.1291
TG(40:10)+Na	0.8429	1.1571
TG(4:0_11:0_12:3)+H	0.9216	1.0784
TG(4:0_11:4_15:0)+H	0.8131	1.1869
TG(4:0_16:0_18:4)+NH4	0.8285	1.1715
TG(40:4e)+Na	1.1731	0.8269
TG(4:0_8:0_10:1)+NH4	0.9216	1.0784
TG(41:12e)+Na	0.8752	1.1248
TG(41:5)+NH4	0.3265	1.6735
TG(42:10e)+Na	1.1168	0.8832
TG(42:11)+Na	0.8363	1.1637
TG(42:12)+Na	0.9873	1.0127
TG(42:2e)+NH4	1.2430	0.7570
TG(42:8)+NH4	1.0966	0.9034
TG(42:9e)+Na	0.7880	1.2120
TG(42:9)+NH4	0.9731	1.0269
TG(44:12)+NH4	0.8859	1.1141
TG(44:3e)+NH4	1.2612	0.7388
TG(44:8)+NH4	1.0666	0.9334
TG(44:9)+NH4	1.0852	0.9148
TG(45:9)+H	0.6245	1.3755
TG(45:9)+NH4	0.9142	1.0858
TG(46:11)+NH4	0.8431	1.1569
TG(46:6e)+H	1.2061	0.7939
TG(46:9e)+Na	1.1106	0.8894
TG(48:12e)+H	1.0787	0.9213
TG(54:1)+NH4	1.0109	0.9891
TG(55:10e)+Na	0.8665	1.1335
TG(56:9)+NH4	0.6813	1.3187
TG(6:0_10:2_12:0)+NH4	0.8600	1.1400
TG(6:0_10:3_10:4)+NH4	0.9638	1.0362
TG(6:0_10:4_12:3)+NH4	0.9756	1.0244
TG(6:0_14:2_14:2)+NH4	0.7587	1.2413
TG(60:4)+NH4	0.8900	1.1100
TG(6:0_6:0_11:4)+NH4	0.1513	1.8487
TG(6:0_8:0_10:4)+Na	0.9372	1.0628
TG(8:0_10:3_10:4)+NH4	1.1670	0.8330
TG(8:0_10:4_12:3)+NH4	1.0475	0.9525
TG(9:0_10:3_10:4)+NH4	1.0668	0.9332
TG(9:0_14:1_14:1)+H	1.3696	0.6304
Thalsimine	1.0864	0.9136
Thapsigargin	1.0162	0.9838
Theanine	1.2065	0.7935
Theobromine	0.8885	1.1115
Thiamine	0.7440	1.2560
Thiazolidine-4-carboxylic acid	0.6583	1.3417
Thiodiglycol	0.6148	1.3852
Thioetheramide-PC	0.7284	1.2716
Thr-His	0.8658	1.1342
Thr-Tyr-Arg	0.8458	1.1542
Tilmicosin	0.6694	1.3306
Tozasertib	0.6844	1.3156
trans-2-Hydroxycinnamic acid	0.8446	1.1554
Trans-4-(aminomethyl)cyclohexanecarboxylic acid	1.0337	0.9663
Trans-cinnamic acid	0.5256	1.4744
Trehalose	1.1029	0.8971
Tri(3-chloropropyl) phosphate	0.9251	1.0749
Trichothecine	0.5594	1.4406
Tridemorph	0.9560	1.0440
Triethanolamine	0.7610	1.2390
Triethylene glycol	1.0067	0.9933
Trigonelline	0.3627	1.6373
Trimethylamine	1.0200	0.9800
Trinexapac-ethyl	0.9298	1.0702
Trioxsalen	0.8455	1.1545
Trp-Asp-Arg	0.9804	1.0196
Trp-Gln-Lys	0.8334	1.1666
Trp-Glu-Arg	0.9822	1.0178
Trp-Ile	0.6491	1.3509
Trp-Ile-Lys	0.7369	1.2631
Trp-Met-Arg	0.9480	1.0520
Trp-Thr	0.8790	1.1210
Trp-Tyr-Lys	0.9295	1.0705
Tuberostemonine	1.0480	0.9520
Tyr-Ala	1.4749	0.5251
Tyr-Asp	1.4939	0.5061
Tyr-Cys	0.6428	1.3572
Tyr-Ile	0.7089	1.2911
Tyr-Leu-Lys	0.8349	1.1651
Tyr-Met	0.8585	1.1415
Tyr-Thr	0.8274	1.1726
Tyr-Trp	0.6915	1.3085
Tyr-Tyr	0.8214	1.1786
Tyr-Val-Lys	0.5786	1.4214
UDP-D-Galactose	0.9054	1.0946
Udp-galactose	0.9175	1.0825
Uracil	1.4963	0.5037
Urea	1.1278	0.8722
Uridine 5^-monophosphate (UMP)	0.8432	1.1568
Val-Ala-Lys	0.6672	1.3328
Val-Asp-Arg	0.9364	1.0636
Valinomycin	0.8617	1.1383
Val-Trp	0.7513	1.2487
Val-Val	0.6780	1.3220
Veratramine	0.8314	1.1686
Virginiamycin component a	0.6260	1.3740
Vitamin k1 2,3-epoxide	0.9569	1.0431
WE(12:0_18:1)+NH4	0.8965	1.1035
WE(17:0_16:3)+NH4	0.8368	1.1632
WE(2:0_14:2)+NH4	1.0057	0.9943
WE(2:0_16:2)+NH4	0.8520	1.1480
WE(2:0_16:3)+H	0.9845	1.0155
WE(2:0_16:3)+NH4	0.9041	1.0959
WE(2:0_16:4)+H	0.6827	1.3173
WE(2:0_16:4)+NH4	0.8807	1.1193
WE(2:0_18:1)+NH4	0.8026	1.1974
WE(2:0_18:2)+NH4	0.9908	1.0092
WE(2:0_20:2)+NH4	0.9033	1.0967
WE(2:0_22:2)+NH4	0.9600	1.0400
WE(21:0_17:3)+NH4	0.8093	1.1907
WE(21:0_17:4)+NH4	0.8576	1.1424
WE(23:0_17:3)+NH4	0.9283	1.0717
WE(23:1_19:3)+NH4	0.8091	1.1909
WE(24:6_15:2)+NH4	0.8779	1.1221
WE(26:6_21:3)+NH4	1.0763	0.9237
WE(27:5_20:4)+H	0.8419	1.1581
WE(27:5_22:5)+H	0.9652	1.0348
WE(3:0_16:0)+NH4	1.2426	0.7574
WE(34:3)+NH4	0.8088	1.1912
WE(4:0_14:1)+H	0.8603	1.1397
WE(47:7)+NH4	0.6648	1.3352
WE(49:11)+H	1.0895	0.9105
WE(6:0_16:3)+NH4	1.0759	0.9241
Withaferin a	0.8704	1.1296
Wortmannin	1.0339	0.9661
ZyE(18:0)+H	0.9881	1.0119
ZyE(18:1)+H	1.1451	0.8549
ZyE(19:1)+H	1.0150	0.9850
ZyE(20:4)+H	1.0085	0.9915
ZyE(20:4)+NH4	1.0315	0.9685
ZyE(22:6)+H	0.5784	1.4216
ZyE(24:7)+H	1.0315	0.9685

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

Factors:

F1	Genotype:circLARP2-deficient
F2	Genotype:Wild-type