Data for (Study ST003955)

(Analysis AN006501)

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-Formyltetrahydrofolic Acid	1.1844	0.6313
1,19-Dihydroxy-2-oxo-nor-A(3)-urs-12-en-28-oic acid (Rubuminatus B)	0.9075	1.1851
11-Hydroxy-3-oxours-12-en-28-oic acid	0.9596	1.0808
1,2,3,7,8-pentahydroxy-6-methylanthracene-9,10-dione	1.0905	0.8191
1,2,4,5-tetrahydroxy-7-(hydroxymethyl)anthracene-9,10-dione	0.8938	1.2125
1,2-O-Diferuloylglycerol	0.9955	1.0090
13,28-Epoxy-11-ursen-3-one (Momordicinin)	1.0088	0.9823
13,28-Epoxyolean-11-en-3-one	0.9552	1.0895
1,3-Dihydroxyurs-12-en-28-oic acid (Kaneric acid)	0.7178	1.5643
13-Hydroxy oleanolic acid-3-oxo-28-acid*	0.9238	1.1525
1,3-O-Dicaffeoylglycerol	0.8894	1.2212
1,3-O-Dicaffeoylquinic Acid (Cynarin)	0.8473	1.3053
14,15-Dehydrocrepenynic acid	1.0575	0.8849
1-[(4-hydroxyphenyl)methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-8-ol*	0.8683	1.2635
18-Demethylparaensidimerin C	1.0062	0.9877
18-Hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid	0.8004	1.3993
19-Hydroxy-2-(hydroxymethyl)-A(1)-norursa-2,12-dien-28-oic acid (Coleonolic acid)	0.8935	1.2129
19-Hydroxy-2-oxo-nor-A(3)-urs-12-en-28-oic acid (Rubuminatus A)	0.9358	1.1284
19-Hydroxyursolic acid	0.8844	1.2311
1-(9Z-Octadecenoyl)-2-(9-oxo-nonanoyl)-sn-glycero-3-phosphocholine	1.2171	0.5658
1-Aminocyclopropane-1-carboxylic acid*	1.0379	0.9241
1-beta-D-Arabinofuranosyluracil	0.9902	1.0197
1-Linoleoylglycerol*	1.1126	0.7748
1-Methoxy-indole-3-acetamide*	0.8684	1.2632
1-Methylhistamine	1.0311	0.9378
1-Methylhistidine*	0.7818	1.4363
1-Methylpiperidine-2-carboxylic acid*	1.0077	0.9846
1-Monolinolenoyl-Rac-Glycerol*	1.1121	0.7759
1-Monomyristin	1.0758	0.8483
1-O-Cinnamoyl-4,6-(S)-HHDP-β-D-glucose	0.9962	1.0077
1-O-Feruloylquinic acid*	0.9744	1.0511
1-Oleoyl-Sn-Glycerol	1.2688	0.4624
1-O-p-Coumaroylsedoheptulose	1.0943	0.8114
1-phenyl-7-(4-hydroxyphenyl)-4-ene-3-heptanone	1.0052	0.9895
(1R,3S)-1-Methyl-1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid	1.0126	0.9748
1-α-Linolenoyl-glycerol*	1.1192	0.7615
1-α-Linolenoyl-glycerol-2,3-di-O-glucoside	1.3762	0.2477
2,19-Dihydroxy-3-oxo-24-norolean-12-en-28-oic acid*	0.9278	1.1444
2-(2,4-Dihydroxyphenyl)-1-(4-hydroxy-2-methoxyphenyl)ethanone*	0.8687	1.2626
2,2-dimethylchromene-6-carboxylic acid*	1.0068	0.9863
2,3,19,23-Tetrahydroxyolean-12-en-28-oic acid (Arjungenin)	0.8531	1.2938
2,3,19,23-Tetrahydroxyolean-12-en-28-oic acid (Sericic acid)	0.9816	1.0368
2,3,19-Trihydroxy-24-oxo-olean-12-en-28-oic acid	0.9759	1.0481
2,3,19-Trihydroxyolean-12-en-28-oic acid (Arjunic acid)	0.9564	1.0872
2,3,19-trihydroxyurs-12-en-28-oic acid (Euscaphic acid)	0.9362	1.1277
2,3,19-Trihydroxyurs-12-en-28-oic acid (Tormentic acid)	0.9083	1.1835
2,3,23-Trihydroxyolean-12,18(19)-dien-28-oic acid-glucoside	0.8464	1.3072
2,3,23-Trihydroxyolean-12-en-28-oic acid (Arjunolic acid)	0.9483	1.1034
2,3,23-Trihydroxyurs-12,19(29)-dien-28-oic acid	0.9268	1.1465
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[(2s,4s,5s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2s,5s)-3,4,5-trihydroxy-6-({[(2r,4s,5r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}chromen-4-one	0.8589	1.2822
2,3,5-trimethoxy-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one	0.9464	1.1071
2,3,6,23-Tetrahydroxyurs-12-en-28-oic acid (Madecassic acid)	0.9584	1.0831
2,3,7,19-Tetrahydroxyurs-12-en-28-oic acid (Roxburic Acid)	0.9715	1.0569
2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one	0.9853	1.0294
2,3-Dihydroxylup-20(29)-en-28-oic acid (Alphitolic acid)*	0.9229	1.1542
2,3-Dihydroxyurs-12,18-dien-28-oic acid (Goreishic Acid I)	0.8338	1.3325
2,3-Dihydroxyurs-12-en-29-oic acid (Maslinic acid)	0.9326	1.1348
2,4,6-Trimethoxyphenol glucoside	0.9137	1.1726
2,4,6-Trimethoxyphenyl 1-O-β-D-apiofuranosyl-(1→6)-β-D-glucopyranoside	0.9651	1.0697
2,4-Dihydroxy-6-methoxyacetophenone	0.9244	1.1512
2,4-Dihydroxyquinoline	0.9547	1.0905
2(4H)-benzofuranone	0.8555	1.2889
24-p-Coumaroyloxy-2,3-dihydroxyurs-12-en-28-oic acid (Guavacoumaric acid)*	0.8620	1.2760
2,5-Dimethoxybenzoquinone*	0.9690	1.0620
2,6-Diaminooimelic acid	1.0074	0.9852
2,6-Dihydroxy-4-isopropylphenyl-1-O-β-D-glucoside	0.9868	1.0264
2,6-Dimethoxy-1,4-benzoquinone*	0.9543	1.0913
2,6-Dimethoxybenzoic acid	1.0396	0.9208
27,28-Dicarboxyl ursolic acid	0.7861	1.4277
2-(Acetylamino)-3-phenyl-2-propenoic acid	0.9895	1.0209
2-amino-3-(1H-pyrazol-1-yl)propanoic acid	1.1415	0.7171
2-Amino-3-methoxybenzoic acid	1.1291	0.7418
2-Amino-4,5-dihydro-1H-imidazole-4-acetic acid	1.0120	0.9760
2-amino-4-hydroxy-3-((3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)butanoic acid	1.1618	0.6763
2-Amino-5-[(1-Carboxy-2-Phenylethyl)Amino]-5-Oxopentanoic acid*	0.9799	1.0403
2-Amino-7-methyltridecan-1-ol*	1.0393	0.9215
2-aminodocoSane-1,5,7,21-tetraol	1.0176	0.9648
2-aminodocoSane-1,6,19,20,21-pentaol	0.9921	1.0159
2-Aminododecane-1,4-diol*	0.9567	1.0866
2-Aminoethylphosphonate	0.9408	1.1184
2-Aminohexadecane-1,16,16-triol	0.9314	1.1372
2-Aminohexadecane-1,4-diol*	1.0026	0.9949
2-Aminohexadecane-1,5,15-triol	1.0084	0.9831
2-AminoicoSane-1,5,7,19-tetraol	1.0139	0.9723
2-AminoicoSane-1,6,18,19,20-pentaol	1.0238	0.9525
2-Aminoisobutyric acid*	1.0010	0.9980
2-Aminooctadecane-1,16,18,18-tetraol	0.9609	1.0782
2-Aminooctadecane-1,4-diol	1.0029	0.9941
2-Aminotetradecan-1-ol*	1.0223	0.9555
2-Aminotetradecane-1,11,13-triol	1.0035	0.9929
2-Aminotetradecane-1,4-diol	0.9617	1.0766
2-Aminotetradecane-1,5,13-triol	0.9818	1.0364
2ɑ-hydroxy-3β-trans-p-hydroxycinnamoyloxy oleanolic acid*	0.8715	1.2570
2^-Deoxyadenosine*	0.9534	1.0932
2^-Deoxyadenosine-5^-monophosphate	1.0210	0.9580
2^-Deoxycytidine	0.9748	1.0504
2^-Deoxyguanosine	1.1187	0.7627
2^-Deoxyinosine-5^-monophosphate	1.1409	0.7182
2-(Dimethylamino)guanosine*	1.0806	0.8387
2-(Dodecylamino)-3-phenyl-1-propanol	1.0600	0.8800
2-Ethyl-2,6,6-trimethylpiperidin-4-one	0.9954	1.0093
2-Ethyl-3-methylmaleimide-N-glucoside	0.9555	1.0890
2-Feruloyl-sn-glycerol	1.0638	0.8725
2-Hexylphosphoric Acid	0.9319	1.1362
2-Hydroxymethyl-A(1)-nor-19,24-dihydroxyurs-2,12-dien-28-oic acid (Rosamultic acid)*	0.8843	1.2314
2-Hydroxypyracrenic acid*	0.8137	1.3726
2-Linoleoylglycerol*	1.1208	0.7584
2-Methoxy-4-ethenylphenol	0.9375	1.1250
2-Methoxy-4-methylphenol	0.9946	1.0108
2-Methyl-3-hydroxyindan-1-one	0.9019	1.1962
2-Methyl-5-(2^-hydroxypropyl)-7-hydroxy-chromone-2^-O-β-D-glucopyranoside	0.8773	1.2454
2-Methyl-5-acetonyl-7-hydroxychromone glucoside	1.0037	0.9926
2^-O-Methyladenosine	1.1545	0.6910
2-Palmitoylglycerol*	1.0362	0.9276
2-Phenylethanol	0.9508	1.0984
2-Phenylethy-1-O-β-D-glucoside	0.9954	1.0091
(2S)-2-[(1R)-1-carboxyethoxy]propanoic acid	1.0055	0.9891
(2S,4R)-4-(Beta-D-Glucopyranosyloxy)-2-Pentanol	0.8853	1.2295
(2S)-Homoeriodictyol-7,4^-di-O-β-D-glucopyranoside	0.8815	1.2371
2α-Acetoxy-14β-[(S)-2-methyl-butyryloxy]-4(20),11-taxadiene	0.7210	1.5580
2-α-Linolenoyl-glycerol*	1.1121	0.7759
2-α-Linolenoyl-glycerol-1,3-di-O-glucoside	1.2928	0.4145
3,12-Dihydroxyoleanan-28,13-olide (Oleanderolide)	0.9481	1.1037
3,19,23-Trihydroxyurs-12-en-28-oic acid (Barbinervic acid)	0.9732	1.0535
3,19-Dihydroxyolean-12-en-28-oic acid	0.7300	1.5401
3,20-Dihydroxyurs-21-en-28-oic acid (Oleanderic acid)*	0.9238	1.1525
3,29-Dihydroxyolean-12-en-28-oic acid (Mesembryanthemoidigenic acid)*	0.9516	1.0967
3-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-1,6-dihydroxy-2,7-dimethoxyxanthen-9-one	0.9604	1.0791
3-[(3,4-dihydroxyphenyl)methylidene]-5,7-dihydroxy-6-methoxy-2h-1-benzopyran-4-one glucosyl rhamnoside	0.9229	1.1541
3-[[3-(4-Hydroxyphenyl)propenoyl]oxy]-2-hydroxyurs-12-ene-28-oic acid (Jacoumaric Acid)	0.9123	1.1754
3,3^-Bis(3,4-dihydro-4-hydroxy-6,8-dimethoxy-2H-1-benzopyran)	0.9464	1.1073
3,3^-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)*	1.1270	0.7460
3-(3-Hydroxyphenyl)-propionic acid	0.9234	1.1532
3,4,2^,4^,6^-Pentahydroxychalcone	0.9754	1.0491
3^,4,4^,5,7-Pentahydroxyflavan (Luteoforol)	0.8959	1.2082
3,4,5-trihydroxy-5-[4-(prop-2-enoyloxymethyl)phenoxy]oxane-2-carboxylic acid	1.0470	0.9059
3,4,5-trihydroxy-6-[4-[[(2R)-5-oxooxolan-2-yl]methyl]phenoxy]oxane-2-carboxylic acid	0.8803	1.2394
3,4,5-Trihydroxy-6-[4-(4-methyl-3-oxopentyl)phenoxy]oxane-2-carboxylic acid	0.8629	1.2742
3,4,5-trihydroxy-6-(4-octylphenoxy)oxane-2-carboxylic acid	1.0029	0.9941
(3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl (E)-3-(4-hydroxy-3-methoxyphenyl)acrylate	0.9977	1.0045
3,4,5-Trimethoxyphenol-1-O-β-D-glucoside	0.7267	1.5466
3,4,5-Trimethoxyphenol-1-O-β-D-malonylglucoside	0.9674	1.0652
3,4-Dihydro-4-(4^-hydroxyphenyl)-5,7-dihydroxycoumarin glucoside*	1.0071	0.9858
3,4^-Dihydroxy-3^,5^-dimethoxypropiophenone	0.9925	1.0150
3,4-Dihydroxy-L-phenylalanine (L-Dopa)	0.9336	1.1328
3,4^-Dihydroxypropiophenone glucoside	0.9092	1.1816
3,4-Dimethoxybenzamide	0.9384	1.1232
3,4-Dimethoxybenzoic acid; Veratric acid	1.1558	0.6883
3-(4-hydroxyphenyl)-3-oxopropyl beta-D-glucopyranoside	0.9161	1.1677
3-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)propanoic acid	0.9128	1.1744
3,4-Methylenedioxycinnamaldehyde	1.0058	0.9884
3,4-O-Dicaffeoylquinic Acid Methyl Ester*	0.9107	1.1786
3,4-Secodammara-4(28),20,24-trien-3,26-dioic acid	0.9323	1.1355
3^,5^,5,7-Tetrahydroxy-4^-methoxyflavanone-3^-O-glucoside	0.8895	1.2210
3^,5,5^,7-Tetrahydroxyflavanone-7-O-glucoside*	0.9212	1.1575
3,5,7,4^-Tetrahydroxy-Coumaronochromone	0.9653	1.0694
3,5-Bis(3-methoxy-4-hydroxyphenyl)-2,3-dihydro-2(1H)-pyridinone*	0.9680	1.0640
3,5-Dihydro-2H-Furo[3,2-C]Quinolin-4-One*	0.8483	1.3034
3,5-Dihydroxy-4,6,6-trimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one	1.0004	0.9993
(3,5-dihydroxyphenyl)-(4-hydroxy-2,6-dimethoxyphenyl)methanone	0.8603	1.2793
3,5-Dihydroxytoluene	0.9970	1.0059
3,5-Dimethyl-2,3-dihydrobenzofuran	1.0072	0.9857
3,5-O-Dicaffeoylquinic Acid Methyl Ester*	0.9107	1.1786
3,6-Dihydroxyurs-12,18(19)-dien-28-oic acid (Uncargenin A)	0.9023	1.1953
3-(acetyloxy)-9,10-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-19-ylacetate	0.9010	1.1981
3-amino-2-naphthoic acid*	0.8935	1.2131
3-Carbamyl-1-methylpyridinium;(1-Methylnicotinamide)	0.8900	1.2201
(3-(carboxyamino)-2-methylpropanoyl)phenylalanine*	0.9799	1.0403
3-Chloroaniline	1.0124	0.9752
3-Dehydrosphinganine	0.9512	1.0977
3-Epialphitolic acid*	0.9516	1.0967
3-Ethyl-7-hydroxyphthalide	0.8743	1.2513
3^-Glucosyl-6,7-dihydroxy-N-methyl-benzyltetrahydroisoquinoline	0.8812	1.2377
3-Hydroxy-1,2-dimethoxyxanthone-glucoside*	0.9930	1.0141
3-Hydroxy-1-(4-hydroxy-3,5-dimethoxy-phenyl)-propan-1-one glucoside	0.9951	1.0098
3-Hydroxy-1-(4-Hydroxy-3-Methoxyphenyl)Propan-1-One	1.0408	0.9184
3-hydroxy-1-methylpyrrolidin-2-one*	1.0465	0.9071
3-Hydroxy-23-oxoolean-12-en-28-oic acid (Gypsogenin)	0.8368	1.3265
3-Hydroxy-29(or30)-al-olean-12-en-28-oic acid	0.9885	1.0230
3-Hydroxy-4-methoxybenzoic acid; Isovanillic Acid	0.9367	1.1266
3-Hydroxy-L-phenylalanine*	0.8851	1.2299
3-Hydroxyolean-12-ene-27,28-dioic acid (Cincholic acid)	0.9442	1.1116
3-Hydroxyolean-12-ene-28,29-dioic acid (Serratagenic Acid)	0.8911	1.2178
3-Hydroxyphloretin	0.8745	1.2510
3-Hydroxytaraxastan-28,20-olide	0.9726	1.0549
3-Hydroxyurs-12,19-dien-28-oic acid (Sanguisorbigenin)	0.8749	1.2502
3-Hydroxyurs-12-en-28-aldehyde (Ursolaldehyde)	0.9827	1.0347
3-Hydroxyurs-12-en-28-oic acid (Ursolic acid)	0.9574	1.0852
3-Hydroxyurs-5(6),12,18(19)-trien-28-oic acid (Uncargenin B)	0.9360	1.1280
3-Indoleacetonitrile	0.8914	1.2173
3-Indoleacrylic acid*	0.8483	1.3034
3-Indolepropionic acid	0.9428	1.1145
3^-Methoxydaidzin-4^-O-glucoside	0.9937	1.0126
3^-methoxyquercetin-3-O-L-rhamnosyl(1→2)-glucopyranoside*	0.9287	1.1426
3-Methyl-L-Histidine*	1.0818	0.8365
3-O-Caffeoyl-9-hydroxylup-20(30)-en-7-one (Querspicatin A)*	0.9223	1.1554
3-O-caffeoyl quininyl arabinoside	0.9323	1.1353
3-O-Feruloylquinic acid*	0.9770	1.0459
3-O-Glucoside-3-hydroxy-y-butyrolactone	0.9897	1.0207
3^-O-Methyltricetin-5-O-glucoside*	0.9330	1.1340
3^-O-Methyltricetin-7-O-glucoside	0.9861	1.0278
3-O-p-Coumaroyl-2-hydroxyurs-12-en-28-oic acid	0.9456	1.1089
3-O-(p-coumaroyl) 3-Hydroxy-3-methylglutaric acid*	0.9356	1.1287
3-O-p-Coumaroylrotundic acid*	1.0004	0.9992
3-O-p-Coumaroyltormentic acid	0.8982	1.2037
3-Oxo-Alpha-Ionol,4-(3-Hydroxy-1-Butenyl)-3,5,5-Trimethyl-2-Cyclohexen-1-One	0.8872	1.2256
3-Oxolanosta-7,9(11),24-trien-26-oic acid (Ganoderic Acid SZ)	0.7219	1.5561
3-Oxooleana-11,13(18)-dien-28-oic acid	0.9421	1.1157
3-Oxo-α-ionol-β-D-glucoside	1.0737	0.8526
3-p-Coumaroyloxy-2-hydroxyurs-12,18-dien-28-oic acid (Guajavanoic acid)	0.8245	1.3511
3-p-Coumaroyloxy-2-methoxyurs-12-en-28-oic acid (Guajanoic acid)*	0.9221	1.1557
3-pyridine-methanol-O-β-D-glucopyranosyl	1.1415	0.7171
3-quinolinecarboxylic acid	1.1358	0.7284
(3R,4R)-p-Menth-1-ene-3,4-diol-3-O-β-D-glucoside	1.1416	0.7168
3-(((S)-1-carboxy-2-phenylethyl)amino)-2,5-dihydroxycyclopentane-1-carboxylic acid	0.8559	1.2882
3-Succinoylpyridine	0.9270	1.1461
3-(α,4-Dihydroxy-3-methoxybenzyl)-4-(hydroxy-3-methoxybenzyl)	0.9238	1.1524
3ξ-(1ξ-Hydroxyethyl)-7-hydroxy-1-isobenzofuranone	0.9113	1.1774
4,5,6-Trihydroxy-2-cyclohexen-1-ylideneacetonitrile	0.8085	1.3829
4,6-Dihydroxyquinoline	0.9969	1.0061
4,6-dimethoxy-2-methoxyphenyl-1-O-beta-D-glucopyranoside	0.9312	1.1376
4,8-Dihydroxy Naphthol-1-O-glucoside	0.9986	1.0028
4-Aminobenzoic acid	0.9568	1.0863
4-Aminoindole	1.0409	0.9182
4-Guanidinobutyric acid	0.9678	1.0643
4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylic acid	0.9129	1.1742
4-hydroxy-3-(2-hydroxy-3-methylbut-3-en-1-yl)benzoic acid	0.9845	1.0310
4^-Hydroxy-3^-methoxyacetophenone (Acetovanillone)	0.8699	1.2602
4-Hydroxy-L-Isoleucine	0.9842	1.0315
4-Hydroxymandelonitrile	1.0199	0.9603
4-Hydroxysphinganine; Phytosphingosine	0.9987	1.0026
4-Methoxybenzaldehyde	1.0066	0.9868
4-MethoxycinnaMaldehyde	1.0058	0.9885
4-methyl-1,5,2,3-dioxadiazinan-2-amine	0.8429	1.3141
4-Methylazetidine-2-Carboxylic acid*	1.0466	0.9069
4-Methylbenzoic acid	1.0232	0.9535
4-Nitrophenol	0.9636	1.0727
4-O-acetyl-3-O-caffeoyl-2-C-methyl-D-erythronate*	0.8809	1.2381
4-O-Caffeoylquinic acid methyl ester*	1.1148	0.7704
4-puinazolinone	0.8843	1.2314
4-Pyridoxic acid	0.9384	1.1233
4-Pyridoxic acid-O-glucoside	0.8861	1.2278
5-(2-hydroxypropyl)-3H-2-benzofuran-1-one	0.9031	1.1939
5-[(2r,3s,4s,5s)-5-(2h-1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol*	1.0044	0.9911
5,4^-Dihydroxy-3,6,7,3^-tetramethoxyflavone-4^-O-glucoside	0.9482	1.1036
5,6,3^,4^-Tetrahydroxy-3,7-dimethoxyflavone-6-O-glucoside	0.9822	1.0355
5,6,7,7a-tetrahydro-4,4,7a-trimethyl-2(4H)-benzofuranone	1.0069	0.9861
5,6-Dihydrouracil	0.9482	1.1036
5,7,3^,4^,5^-Pentahydroxyflavan (Tricetiflavan)*	0.9269	1.1461
5,7,3^,4^-Tetrahydroxy-6-methoxyflavone-8-C-[glucosyl-(1-2)]-glucoside	1.0203	0.9594
5,7,8,3^,4^-Pentahydroxy-6-methoxyxanthone	0.9910	1.0179
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,4R,5S)-3,4,5-trihydroxy-6-[[(2R,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]chromen-4-one*	1.0294	0.9412
5,7-Dihydroxy-4-methylcoumarin	0.9999	1.0001
5,7-Dihydroxychromone glucoside	0.9911	1.0178
5-Acetonyl-6-glucosyl-7-hydroxy-2,6-methylchromone	1.0029	0.9943
5-Acetylsalicylic acid	0.9556	1.0888
5-Aminoimidazole ribonucleotide	1.0910	0.8179
5-Aminolevulinic Acid*	0.8851	1.2297
5-Aminovaleric acid	1.0226	0.9547
5^-Deoxy-5^-(methylthio)adenosine	0.9768	1.0464
5-Hydroxy-6,7,4^-Trimethoxyflavone 5-O-glucoside	1.0360	0.9279
5-Hydroxy-DL-tryptophan(5-HTP)	0.9046	1.1909
5-Hydroxy-L-tryptophan	0.9594	1.0813
5-methoxy-3-methyl-2-oxo-7-((3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)indolin-3-yl acetate	1.0425	0.9150
5-Methoxysalicylic acid	1.0071	0.9858
5-methyl 1-propyl L-glutamate	1.0258	0.9483
5-methylfurfural	1.1124	0.7752
5-O-Methyllatifolin	0.9975	1.0050
5-Ribofuranosylnicotinamide	0.7895	1.4209
6,7-Dihydroxy-4-methylcoumarin	0.9375	1.1250
6-[(7-hydroxy-2-methyl-6-oxo-3,4-dihydroisoquinolin-1-yl)methyl]-2,3-dimethoxybenzoic acid	0.8770	1.2461
6a-({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-10-hydroxy-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid*	1.0004	0.9992
6-Aminocaproic acid	0.8252	1.3496
6-Chloropurine	1.0470	0.9061
6-C-MethylKaempferol-3-glucoside*	1.0206	0.9589
6-Deoxyfagomine	0.8688	1.2625
6-Hydroxy-7-methoxycoumarin	0.9507	1.0986
6-hydroxycoumarin	1.0684	0.8632
6-Hydroxykaempferol-3,6-O-Diglucoside*	0.8707	1.2585
6-Hydroxykaempferol-3,7,6-O-triglycoside	0.8794	1.2412
6-Hydroxykaempferol-3-O-Rutinoside-6-O-glucoside*	0.8755	1.2490
6-Hydroxykaempferol-6,7-O-Diglucoside*	0.8678	1.2644
6-Hydroxykaempferol-7,6-O-Diglucoside	0.9126	1.1748
6-Hydroxykaempferol-7-O-glucoside	0.8086	1.3828
6-Hydroxy-lupane-20(29)-en-3-one-28-oic acid	0.8487	1.3025
6-Hydroxymethylherniarin	0.9138	1.1725
6-Hydroxynicotinic acid	0.9599	1.0802
6-Methoxy-2-(2-phenylethyl)chromone	0.9711	1.0579
(6S,7E,9R)-vomifoliol-9-O-β-D-Xyl-(1-6)-O-β-D-Glu*	0.9472	1.1056
(6S,9R)-Deoxysappanol	0.9838	1.0323
7,2^‑dihydroxy‑4^‑methoxy‑isoflavanol glucoside	0.9373	1.1255
7,3^,4^-Trihydroxyquercetin glucoside	0.9833	1.0335
7-C-Glucosylcoumarin*	0.8335	1.3329
7-hydroxy-2H-1-benzopyran-2-one	0.8972	1.2057
7-Methoxycoumarin	0.9817	1.0366
8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-4-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol	0.9642	1.0716
8,8^-Methylenebiscatechin	0.9820	1.0360
8-Azaguanine	1.2209	0.5583
8-(Benzyloxy)-1-Naphthol	0.9426	1.1148
8-hydroxyquinoline*	0.9653	1.0693
9,19-Cyclolanost-24-en-3-ol (Cycloartenol)	1.0172	0.9657
9-Alpha-Ribofuranosyladenine*	1.1345	0.7310
9-Fluorenol	0.9669	1.0663
Abscisic acid D-glucopyranosyl ester	0.8802	1.2395
Acacetin	1.2569	0.4862
Acropyrone	1.0116	0.9768
Adenine*	1.0958	0.8083
Adenosine*	1.1618	0.6763
Adenosine 5^-monophosphate	1.0458	0.9084
Agmatine	1.1397	0.7207
Ailanindole	1.0365	0.9271
Aketrilignoside B	0.9840	1.0319
alanine betaine*	0.7913	1.4173
Allantoin	0.9709	1.0583
Alnusonol	0.9066	1.1869
Amoenin	1.0467	0.9066
Ampelopsisionoside	0.9476	1.1048
Amurenlaetone A*	0.9893	1.0215
Amurenlaetone B*	1.1148	0.7704
Anthranilic Acid	1.0014	0.9972
Antiarol; 3,4,5-Trimethoxyphenol	0.8638	1.2725
Apigenin-4^-O-glucoside*	0.7718	1.4564
Apigenin-5-O-glucoside	0.7152	1.5696
Apigenin-6-C-(2^^-glucuronyl)xyloside	0.9698	1.0605
Apigenin-7-O-neohesperidoside (Rhoifolin)*	0.8897	1.2205
Apigenin-7-O-rutinoside (Isorhoifolin)*	1.0294	0.9412
Apiosylskimmin (Adicardin)	0.9590	1.0820
Arecatannin A2	0.9176	1.1648
Arecatannin B1	0.8108	1.3784
Arecatannin C1	0.9360	1.1280
Arecoline	0.9354	1.1292
Arg-Cys-Asp	0.9801	1.0397
Arg-Gln-Leu	0.9480	1.1040
Arg-Gly	1.0682	0.8636
Arginine methyl ester*	0.8585	1.2831
Arillanin C	1.0627	0.8746
Asn-Gln-Gln	0.9504	1.0993
Asn-His-Asp	1.0294	0.9412
Asn-Thr-His	0.9446	1.1107
Asn-Tyr-Asn	1.0054	0.9893
Asn-TyrMe-OH	1.0455	0.9089
Asp-Arg-Asp	0.9466	1.1069
Asp-Leu-Met	0.9342	1.1316
Asp-Nap-OH	0.9838	1.0324
Avicennol*	0.9487	1.1026
Avicularin(Quercetin-3-O-α-L-arabinofuranoside)*	0.9413	1.1173
Azalein (Azaleatin-3-O-rhamnoside)	1.0559	0.8882
Azetidine-2-carboxylic acid*	0.9971	1.0057
Baihuaqianhuoside	0.8534	1.2933
Balanophonin B	0.9935	1.0131
Balanophonin E glucoside	0.9278	1.1443
Balsaminace A	0.9330	1.1339
Barbituric acid;Malonylurea;2,4,6-Pyrimidinetrione	1.0101	0.9797
Bartsioside	0.9130	1.1739
Benzamide	0.9480	1.1040
Bergaptol	0.9349	1.1302
Betaine	1.0141	0.9718
Bis(2-ethyl-hexyl)-phthalate	0.9955	1.0091
Bis(2-ethylhexyl)phthalate*	1.0281	0.9439
Bismurrangatin	0.8624	1.2753
Butyl isobutyl phthalate*	1.0063	0.9875
Byzantionoside A	0.9822	1.0357
Caffeic aldehyde	0.8898	1.2204
Caffeoylagmatine	0.9880	1.0239
Caffeoylmaslinic Acid	0.8825	1.2349
Candicine	0.9685	1.0630
Caohuoside D	0.9916	1.0167
Carpusin*	0.9573	1.0855
catechin-3-O-α-L-rhamnopyranoside	0.8453	1.3094
Cephalofortuneine	0.9678	1.0645
Choline	1.0109	0.9782
Choline Alfoscerate	1.1815	0.6370
Chrysin apiosyl glucoside	1.0431	0.9137
Chrysoeriol-6,8-di-C-glucoside-4^-O-glucoside	1.2324	0.5353
Chrysoeriol-8-C-glucoside (Scoparin)	0.7982	1.4036
Chrysosplenoside A	0.9220	1.1560
Cimifugin-7-O-glucoside	0.9248	1.1504
Cinchonain Ia	0.8907	1.2185
Cinnamaldehyde	0.9865	1.0270
Cinnamic acid	0.9220	1.1560
cis-4-Hydroxy-D-proline*	0.8334	1.3332
cis-Citral	1.0192	0.9615
Citroside A	0.9231	1.1537
Columbianetin Glucopyranoside	1.0204	0.9592
Comazaphilone D	0.8865	1.2269
Comolactone A	0.9839	1.0321
Comolactone D	0.6710	1.6580
Cordycepin (3^-Deoxyadenosine)*	0.9534	1.0932
Coumarin	0.9247	1.1505
Coumarin-3-carboxylic Acid	0.9776	1.0449
Creatinine	0.9675	1.0650
Crenatine	0.9054	1.1893
Crotonoside; 2-Hydroxyadenosine	1.1407	0.7186
Cuneataside E	0.7892	1.4216
Curculigoside B	0.8519	1.2963
Cyanidin-3-O-(6^^-O-acetyl)glucoside	0.7431	1.5138
Cyanidin-3-O-gentiobioside	0.9513	1.0974
Cyanidin-3-O-glucoside	0.8705	1.2590
Cyanidin-3-O-rutinoside (Keracyanin)	0.9321	1.1358
Cyanidin 3-xyloside	0.9463	1.1074
Cyclo(Ala-Gly)	0.6968	1.6064
cyclo-(Gly-Phe)	0.8372	1.3256
Cycloleucine	1.0115	0.9770
Cyclo(Phe-Glu)	0.9829	1.0341
Cyclo(Pro-Glu)	0.9739	1.0521
Cys-Gln-Met	0.9997	1.0007
Cys-Phe-Asn	0.9832	1.0337
Cytarabine	1.1336	0.7328
Cytidine	1.0547	0.8906
Cytosine	0.8279	1.3442
Daphnetin-8-Glucoside	0.9660	1.0680
Deacetylclavaminol H*	0.9567	1.0866
Decursinol	0.9296	1.1407
dehydroconiferyl alcohol	0.9212	1.1576
Dehydrodiconiferyl alcohol	0.9479	1.1041
Dehydrodiconiferyl alcohol-4-O-glucoside*	0.9511	1.0977
Dehydroxysecologanic acid	1.0250	0.9500
Delta-Hexalactone	0.8267	1.3466
Demethylwedelolactone	0.9592	1.0815
de-O-methyllasiodiplodin*	1.0063	0.9875
D-Glucosamine	1.0636	0.8728
Dhurrin	0.9585	1.0830
Dicaffeoylshikimic acid	0.8807	1.2387
Dicaffeoylspermine	0.8630	1.2739
Diethanolamine	1.0658	0.8684
Dihydroactinidiolide	1.0171	0.9658
Dihydrodehydrodiconiferyl alcohol	0.8702	1.2595
Dihydrokaempferide*	0.8715	1.2570
Diisobutyl phthalate*	0.9982	1.0036
Diisooctyl Phthalate*	1.0281	0.9439
Dimethyl phthalate	1.0522	0.8956
Diosmetin-7-O-galactoside*	0.9261	1.1477
Diosmetin-8-C-(2^^-O-rhamnosyl)glucoside	0.9276	1.1448
Divanillyltetrahydrofuran	1.0307	0.9387
DL-2-Aminoadipic acid	0.9145	1.1711
DL-Leucine*	0.8507	1.2986
DL-Threonine	0.9643	1.0714
DL-Tryptophan*	0.8663	1.2673
D-Panthenol	1.1622	0.6755
Elaidolinolenic acid	1.2548	0.4903
Eleutheroside B1*	0.9218	1.1565
Ent-16α,17-Dihydroxykauran-2-one	1.0681	0.8638
Epicatechin*	0.9029	1.1943
epieudesmin	0.8247	1.3506
Epigallocatechin	1.0783	0.8435
Epigoitrin	0.9996	1.0008
epiloliolide	0.9326	1.1347
Epinephrine	1.0312	0.9376
Eriodictyol-7-O-glucoside*	0.9388	1.1224
Eschweilenol C	0.7827	1.4345
Esculetin-6-O-quinic acid	0.8916	1.2168
Eugenol	0.8210	1.3580
Eugenyl formate	0.8339	1.3322
Evofolin B glucoside	0.9375	1.1249
Farrerol-7-O-glucoside	0.9795	1.0411
Feruloyl syringic acid	0.8220	1.3560
Fisetinidol-(4α,6)-gallocatechin	0.9293	1.1413
Flavanomarein	0.7049	1.5903
Frambinone	0.9526	1.0948
Fraxetin (7,8-Dihydroxy-6-methoxycoumarin)	0.8897	1.2206
Fraxetin glucose glucoside	0.9838	1.0323
Fraxidin-8-O-glucoside*	0.9289	1.1423
Fusaric acid*	0.7957	1.4086
Gallacetophenone	0.9954	1.0091
Gallic acid	0.9265	1.1470
Gallocatechin gallate	0.7681	1.4638
Galloylisorhamnetin	0.8512	1.2976
Gambiriin B3	0.7435	1.5131
Genipin-1-O-(2^^-O-apiosyl)glucoside	0.8939	1.2122
Geniposide	0.8899	1.2202
Genistein-7-O-galactoside*	0.8032	1.3936
Gln-Gly	0.9997	1.0006
Gln-Phe-Glu	0.9564	1.0872
Gln-Thr-Trp	1.0359	0.9281
Glu-Gln-Arg	0.8912	1.2176
Glu-Phe	0.9318	1.1364
Glu-Thr-Leu	1.2072	0.5856
Glycerol 9(E),11(Z),13(E)-octadecatrienoyl ester*	1.0325	0.9350
Glycyl-tryptophan	1.0439	0.9122
Gly-Phe-Tyr	0.9511	1.0978
Gly-Tyr-Trp	0.9807	1.0386
Gossypetin-3-O-glucoside*	0.9676	1.0647
Gossypetin-3-O-rutinoside	0.7949	1.4102
Grevilloside C	0.8635	1.2730
Guanosine	1.1755	0.6489
Guanosine 5^-monophosphate	1.0785	0.8429
Helicide	1.0171	0.9657
Hesperetin-3^-O-glucoside*	0.8813	1.2375
Hesperetin-6-C-glucoside-7-O-glucoside	0.9080	1.1840
Hesperetin-7-O-neohesperidoside(Neohesperidin)*	0.9257	1.1487
Hesperetin-7-O-rutinoside (Hesperidin)*	1.0417	0.9165
Hesperetin-8-C-glucoside-3^-O-glucoside	0.9709	1.0582
Hesperidin methylchalcone	0.9705	1.0591
Hexadecanamide	1.0281	0.9439
Hexadecyl ethanolamine	1.0852	0.8296
Hexadecylsphingosine	0.9892	1.0215
His-Ala-Gln	0.7279	1.5442
His-Ala-Val-Asp	0.8910	1.2180
His-Asp-Tyr	0.9542	1.0915
His-Leu-Glu	0.9568	1.0864
Hispidulin-7-O-glucoside(Homoplantaginin)*	0.9187	1.1625
His-Pro-Glu	1.0648	0.8705
Histamine	1.0350	0.9299
His-Thr-Phe	0.9470	1.1061
Histidinol	0.9462	1.1076
His-Tyr-Thr	0.9840	1.0320
Homoarginine	0.5174	1.9652
Homoproline	1.0596	0.8808
Hydroxyrudicoumarin C glucoside	0.9712	1.0576
Hyperelatone F*	0.9403	1.1193
Hyp-Ser	1.0994	0.8013
Icariside B2	0.8639	1.2723
Ikarisoside D	0.9187	1.1627
Ile-Ala-Trp	0.9755	1.0491
Ile-Phe	0.9406	1.1188
Imidazol-1-yl-acetic acid*	1.1282	0.7437
Imidazole-4-Acetic Acid*	1.0266	0.9469
Indican	0.8005	1.3989
Indole	0.9058	1.1883
Indole-3-acetic acid (IAA)	0.8899	1.2202
Indole-3-carboxaldehyde*	0.9654	1.0692
Inosine	1.1275	0.7451
Isoacteoside	0.8670	1.2660
Isochlorogenic acid C	0.8299	1.3402
Isocytosine	1.0092	0.9815
Isofraxetin	0.9759	1.0482
Isofraxidin 7-O-Apiosylglucoside*	0.8959	1.2082
Isofraxidin-7-O-glucoside	0.9472	1.1057
Isohyperoside*	1.3509	0.2982
Isonicotinic acid	0.9506	1.0988
Isopentenyladenine-7-N-glucoside	1.1634	0.6731
Isoquinoline	0.8803	1.2394
Isorhamnetin-3-O-(2^^-O-xylosyl)glucoside	1.0304	0.9392
Isorhamnetin-3-O-(6^^-acetylglucoside)	0.9499	1.1003
Isorhamnetin-3-O-arabinoside	0.9562	1.0877
Isorhamnetin-3-O-galactoide-7-O-rhamnoside*	1.0734	0.8532
Isorhamnetin-3-O-Glucoside*	1.0920	0.8159
Isorhamnetin-3-O-glucoside-7-O-rhamnoside*	1.0734	0.8532
Isorhamnetin-3-O-neohesperidoside*	0.9110	1.1781
Isorhamnetin-3-O-rhamnoside	0.9772	1.0457
Isorhamnetin-3-O-rutinoside (Narcissin)*	0.9945	1.0110
Isorhamnetin-3-O-sophoroside-7-O-rhamnoside	1.0472	0.9056
Isorhamnetin-7-O-glucoside (Brassicin)*	0.9064	1.1872
Isosakuranetin-7-O-glucoside (Isosakuranin)	0.9589	1.0822
Isosalipurposide (Phlorizin Chalcone)*	0.9229	1.1542
Isoscopoletin (6-Hydroxy-7-Methoxycoumarin)	1.1146	0.7708
Isoscopoletin-β-D-glucoside*	0.8505	1.2991
Isovanillin	1.0873	0.8254
Jaceosidin-7-O-Glucoside	0.8268	1.3465
Kaempferol-3,7-O-diglucoside	1.0100	0.9801
Kaempferol-3,7-O-dirhamnoside (Kaempferitrin)	0.9343	1.1313
Kaempferol-3-O-(2^^-galloyl)galactoside*	0.8924	1.2153
Kaempferol-3-O-(2^^-O-acetyl)glucoside	0.9794	1.0413
Kaempferol-3-O-(6^^-galloyl)galactoside*	0.8924	1.2153
Kaempferol-3-O-(6^^-malonyl)galactoside*	0.9213	1.1574
Kaempferol-3-O-(6^^-malonyl)glucoside*	0.9982	1.0037
Kaempferol-3-O-(6^^-Rhamnosyl-2^^-Glucosyl)Glucoside (Camelliaside A)	0.9153	1.1695
Kaempferol-3-O-glucorhamnoside*	0.9558	1.0884
Kaempferol-3-O-glucoside-7-O-rhamnoside*	0.9558	1.0884
Kaempferol-3-O-neohesperidoside*	0.9375	1.1250
Kaempferol-3-O-rhamnosyl(1→2)glucoside	0.8848	1.2304
Kaempferol-3-O-robinobioside(Biorobin)*	0.9558	1.0884
Kaempferol-3-O-rutinoside-7-O-glucoside	0.8070	1.3859
Kaempferol-3-O-rutinoside-7-O-rhamnoside	1.0862	0.8275
Kaempferol-3-O-sophorotrioside	1.0175	0.9650
Kaempferol-4^-O-glucoside*	0.9560	1.0881
Kelampayoside A[3,4,5-Trimethoxyphenol-β-D-apiosyl-(1→6)-β-D-glucoside]	0.9762	1.0476
Kyotorphin	0.9485	1.1031
Ladanetin-6-O-β-D-glucosid*	0.9572	1.0856
L-Allo-isoleucine	0.8596	1.2808
Lancerin; 4-C-Glucosyl-1,3,7-Trihydroxyxanthone*	1.1074	0.7852
L-Arginine	0.9582	1.0836
Laricitrin-3-O-glucoside*	1.0757	0.8486
L-Asparagine	0.9885	1.0231
L-Aspartic acid-O-diglucoside	1.0666	0.8669
L-Aspartyl-L-Phenylalanine	0.9835	1.0331
Lauramine oxide	0.9978	1.0044
Lauryldiethanolamine*	0.9875	1.0250
L-Canavanine sulfate	1.0908	0.8183
L-Carnitine	0.9666	1.0668
L-Citrulline	1.0168	0.9664
L-Cyclopentylglycine	1.0222	0.9556
L-Cystine	0.8228	1.3544
Leu-Asp	1.0487	0.9027
Leucopelargonidin; 3,4,5,7,4^-Pentahydroxyflavan	0.8353	1.3294
L-Glutamic acid	1.0584	0.8833
L-Glutamine	0.9728	1.0543
L-Glycyl-L-isoleucine	1.0678	0.8645
L-Glycyl-L-phenylalanine	0.9873	1.0254
L-Glycyl-L-proline	1.1263	0.7475
L-Histidine	0.9352	1.1296
L-Homocysteine	1.0105	0.9791
L-Homoserine	0.9702	1.0597
Lignans Machilin F	0.9679	1.0642
Limocitrin-7-O-glucoside	0.8728	1.2544
Limocitrol 3-Glucoside	1.0113	0.9774
Linarionoside A	0.8776	1.2449
L-Isoleucine*	0.8590	1.2820
L-Isoleucyl-L-Aspartate	0.9731	1.0539
L-Leucine*	0.8492	1.3016
L-Leucyl-L-Leucine	0.9446	1.1108
L-Leucyl-L-phenylalanine	1.0033	0.9934
L-Lysine	0.9926	1.0148
L-Methionine	1.0046	0.9908
L-Methionine methyl ester	0.9564	1.0872
L-Methionine Sulfoxide	1.0053	0.9894
L-Norleucine*	0.8539	1.2922
L-Ornithine	1.0169	0.9662
L-Phenylalanine	0.8291	1.3418
L-Pipecolic Acid	1.0366	0.9268
L-Proline*	1.0612	0.8775
L-Serine	1.0059	0.9882
L-Theanine	0.8445	1.3110
L-Tyrosine*	0.9443	1.1114
Lumichrome	0.9972	1.0056
Lup-20(29)-en-3-one (Lupenone)	0.9312	1.1377
Lupane-20(29)-en-3-on-28-oic acid	1.0052	0.9897
Luteolin-3^-O-glucoside*	0.9117	1.1766
Luteolin-4^-O-glucoside*	0.9851	1.0299
Luteolin-7,3^-di-O-glucoside	0.9620	1.0761
Luteolin-7-O-(6^^-malonyl)glucoside*	1.0545	0.8910
Luteolin-7-O-(6^^-malonyl)glucoside-5-O-arabinoside	0.8693	1.2613
Luteolin-7-O-gentiobioside	0.9797	1.0407
Luteolin-7-O-glucoside (Cynaroside)*	0.8810	1.2380
Luteolin-7-O-neohesperidoside (Lonicerin)*	0.9558	1.0884
Luteolin-7-O-rutinoside*	0.9286	1.1428
L-Valine*	0.8202	1.3596
L-Valyl-L-Leucine	1.0320	0.9359
L-Valyl-L-Phenylalanine	1.1293	0.7413
Lycoperodine-1*	0.8758	1.2484
Lys-Asp	0.9571	1.0858
Lys-Gly	0.9904	1.0191
Lys-His-Ser	1.0271	0.9457
LysoPC 14:0	1.2791	0.4418
LysoPC 15:0*	1.2660	0.4680
LysoPC 15:0(2n isomer)*	1.1687	0.6626
LysoPC 15:1	1.3146	0.3707
LysoPC 16:0*	1.2635	0.4729
LysoPC 16:0(2n isomer)*	1.2616	0.4768
LysoPC 16:1*	1.3282	0.3436
LysoPC 16:1(2n isomer)*	1.0714	0.8571
LysoPC 16:2*	1.2999	0.4002
LysoPC 16:2(2n isomer)*	1.0653	0.8693
LysoPC 17:0*	1.2785	0.4431
LysoPC 17:0(2n isomer)*	1.2670	0.4660
LysoPC 17:1	1.2348	0.5304
LysoPC 17:2	1.0633	0.8734
LysoPC 18:0	1.2467	0.5066
LysoPC 18:0(2n isomer)	1.1275	0.7449
LysoPC 18:1	1.2810	0.4381
LysoPC 18:1(2n isomer)	1.3811	0.2379
LysoPC 18:2	1.2599	0.4802
LysoPC 18:2(2n isomer)	1.0988	0.8024
LysoPC 18:3	1.2848	0.4305
LysoPC 18:3(2n isomer)	1.0604	0.8793
LysoPC 18:4	1.0580	0.8840
LysoPC 20:2	1.2435	0.5130
LysoPC 20:2(2n isomer)	1.2164	0.5672
LysoPE 14:0*	1.1164	0.7672
LysoPE 14:0(2n isomer)*	1.0671	0.8658
LysoPE 15:0*	1.0731	0.8538
LysoPE 15:0(2n isomer)*	1.0946	0.8108
LysoPE 16:0	1.1507	0.6987
LysoPE 16:0(2n isomer)	1.1461	0.7079
LysoPE 16:1(2n isomer)	1.0677	0.8645
LysoPE 18:0	1.1117	0.7766
LysoPE 18:1*	1.0827	0.8346
LysoPE 18:1(2n isomer)*	1.3618	0.2764
LysoPE 18:2	1.1196	0.7608
LysoPE 18:2(2n isomer)	1.1678	0.6643
LysoPE 18:3	1.0531	0.8938
LysoPE 18:3(2n isomer)	1.1451	0.7097
LysoPE 20:5	1.1231	0.7538
Lys-Tyr	0.9958	1.0084
L-α-Glutamyl-L-Glutamic Acid	1.1080	0.7840
L-γ-Glutamyl-L-leucine	0.9365	1.1270
Magnostellin D	0.9941	1.0118
Malonyltryptophan	0.6511	1.6977
Maltotriose	0.9566	1.0867
m-Aminophenylacetylene	0.9074	1.1851
Maohuoside A	0.8097	1.3805
Marmesin	0.9271	1.1457
Matairesinol	0.8912	1.2176
Matairesinol-4^-O-glucoside (Matairesinoside)	0.9471	1.1059
Menatetrenone (Vitamin K2)	1.0238	0.9524
Met-Gln-Tyr	1.0307	0.9387
Methoxyindoleacetic acid	0.8494	1.3011
Methyl {(1R,2S,3S)-3-(B-D-glucopyransyloxy)-2-[(2^Z)-pent-2-en-1-ylI]cyclopentyl}acete	0.9755	1.0491
Methyl 3-aminopropanoate	0.9814	1.0371
methyl-4,5-diacetyloxy-6-[4-(hydroxymethyl)phenoxy]-3-methyloxane-2-carboxylate	1.0851	0.8297
methyl 5-caffeoylquinate*	1.1148	0.7704
Methyl dioxindole-3-acetate	0.9155	1.1691
Methyldopa	0.9312	1.1376
Methylgeniposide	1.0628	0.8744
Methyl Syringate	1.0412	0.9176
Monolinolenin*	1.0832	0.8336
Monopalmitin*	1.0545	0.8909
Morin-3-O-xyloside*	0.8944	1.2113
Mudanoside A	1.0050	0.9901
Mudanpinoic acid A	0.8843	1.2314
Multifidol Glucoside	0.9991	1.0018
Myricetin-3-O-(6^^-acetyl)glucoside	0.7469	1.5061
Myricetin-3-O-galactoside*	0.7860	1.4279
Myricetin-3-O-galactoside-3^-O-rhamnoside*	0.9342	1.1316
Myricetin-3-O-rutinoside*	0.9567	1.0865
Myricetin-3-O-β-D-glucoside*	0.8228	1.3543
Myrtucommulone B	0.9701	1.0597
N-(12-methyltetradecyl)propionamide	1.0648	0.8704
N-(1-Deoxy-1-fructosyl)Tyrosine	0.9670	1.0660
N-(1-deoxy-1-xylosyl)valine	1.0485	0.9031
N1,N8-Bis(sinapoyl)spermidine	0.9146	1.1707
N-(2-Hydroxy-4-methoxyphenyl)acetamide	0.9319	1.1363
N-(2-Methylbenzoyl)glycine	0.9244	1.1512
N-(3-Indolylacetyl)-L-alanine	0.9797	1.0406
N6-(2-Hydroxyethyl)adenosine*	1.0698	0.8605
N6-Acetyl-L-lysine	0.8921	1.2158
N(6),N(6)-Dimethyl-L-lysine	1.0126	0.9749
N6-Threonylcarbamoyladenosine	0.9969	1.0062
N-[7^-(4^-Methoxyphenyl)ethyl]-2-methoxybenzamide*	0.9170	1.1660
N-Acetyl-5-hydroxytryptamine	0.7601	1.4797
N-Acetylcadaverine	0.9582	1.0836
N-Acetyl-D-galactosamine	1.0369	0.9263
N-Acetyl-D-glucosamine	0.9412	1.1175
N-Acetyl-D-mannosamine	0.9083	1.1833
N-Acetyl-L-Methionine	0.8953	1.2094
N-benzoyl-2-aminoethyl-β-D-glucopyranoside	0.9587	1.0825
N-benzylformamide	0.9176	1.1648
N-Benzylmethylene isomethylamine	0.8370	1.3260
N-(beta-D-Glucosyl)nicotinate*	1.0922	0.8156
Neochlorogenic acid (5-O-Caffeoylquinic acid)*	0.8581	1.2837
Nepetin-7-O-glucoside(Nepitrin)*	1.0159	0.9682
N-Feruloylphenylalanine*	0.9410	1.1180
N-Feruloyltyramine 4^-glucoside	0.9686	1.0628
N-(gamma-L-glutamyl)tyramine O-glucoside	0.9521	1.0957
NG,NG-Dimethyl-L-arginine*	0.9270	1.1459
N-(hexahydro-1H-benzo[de]anthracene-5-formyl)nornicotine	0.9340	1.1320
N-Hydroxypipecolic acid	0.9179	1.1641
Nicotianamine	1.0000	1.0000
Nicotinamide	1.1677	0.6646
Nicotinate D-ribonucleoside	0.9679	1.0643
Nicotine	0.9249	1.1501
Nicotinic acid adenine dinucleotide	0.9884	1.0232
Nicotinic Acid Methyl Ester(Methyl Nicotinate)	1.0134	0.9733
Nicotinic acid (Vitamin B3)	1.1505	0.6989
Ningposide C	0.8578	1.2843
N-Isobutyl-2,4-tetradecanedienamide	1.0784	0.8433
N-Isobutyl Decanamide	1.0006	0.9989
Nitensoside B*	0.9479	1.1042
N-Methyl-L-proline	1.0777	0.8446
N-methylphenylalanine*	0.8338	1.3324
N-Methyltetrahydropalmatine	0.8104	1.3791
N-Methyl-Trans-4-Hydroxy-L-Proline	1.0498	0.9003
N-Monocinnamoylputrescine	0.9545	1.0910
N-Monomethyl-L-arginine*	0.8412	1.3176
N,N-diethyl-5-hydroxytryptamineoxalate	0.8853	1.2294
N,N^-Diferuloylputrescine	0.8916	1.2168
N,N-Dimethyl-5-methoxytryptamine	0.9596	1.0809
N,N^-Dimethylarginine;SDMA*	0.8894	1.2213
N,N-Dimethylformamide	1.0096	0.9809
N,N-Dimethylglycine*	0.9889	1.0223
Nobiletin (5,6,7,8,3^,4^-Hexamethoxyflavone)	1.0335	0.9330
N-Oleoylethanolamine	1.2464	0.5071
Noreugenin-7-O-glucoside*	0.8573	1.2854
Norharmane; Beta-Carboline	0.9417	1.1167
N-Phenylacetylglycine	0.8434	1.3132
O-Acetyl-L-carnitine	0.9692	1.0617
O-Acetyl-L-homoserine	1.0573	0.8855
O-Acetylserine	1.0193	0.9614
o-Carboxy-5-hydroxytryptamine	0.9768	1.0463
Octadec-8-enamide	1.0142	0.9716
Octadeca-11E,13E,15Z-trienoic acid	1.0019	0.9961
Octadecadienamide	1.0000	1.0000
O-Feruloyl 4-hydroxycoumarin	1.0554	0.8893
Okanin-3^-O-β-D-glucoside*	0.9157	1.1685
Okanin-4^-(6^^-O-acetyl)glucoside*	1.0272	0.9457
Okanin-4^-O-glucoside(Marein)*	1.0261	0.9477
Oleamide (9-Octadecenamide)	1.0339	0.9321
Olivil Monoacetate	0.9941	1.0118
O-Phosphocholine	0.6729	1.6543
Orcinol glucoside	1.0455	0.9089
Oresbiusin A	0.9299	1.1402
Orientin-7-O-glucoside	0.9983	1.0034
Oroxin A	0.9406	1.1189
Patuletin-3-O-glucoside*	0.8901	1.2198
Patuletin-3-O-rutinoside	0.9695	1.0610
p-Coumaric acid	0.9767	1.0466
p-Coumaroyleuscaphic acid*	0.6940	1.6120
p-Coumaroylferuloylcadaverine	1.0215	0.9571
Pedaliin*	0.5028	1.9945
Peonidin-3-O-glucoside	0.9106	1.1787
Peonidin-3-O-rutinoside	1.0188	0.9624
Perillyl alcohol	0.9666	1.0668
Petiolin H	0.8751	1.2498
Peucedanol 7-O-glucoside	0.9891	1.0218
Phe-Asn-Lys	0.8419	1.3162
Phe-Gln-Asn	1.0387	0.9227
Phe-Gln-Gln	1.0381	0.9238
Phe-Gly	1.0498	0.9003
Phe-Gly-Gly	0.9649	1.0702
Phellamurin	0.8544	1.2911
Phellodendroside	0.9443	1.1113
Phe-Lys-Phe	1.0645	0.8710
phenylalanine betaine	0.9365	1.1269
Phenyl-β-D-glucopyranoside	1.0226	0.9548
Phe-Phe-Asn	0.9529	1.0941
Phe-Ser	1.0940	0.8119
Phe-Ser-Thr	0.8263	1.3474
Phe-Val-Phe	0.9344	1.1312
Phthalic anhydride	0.9949	1.0102
Pinocembrin-7-O-glucoside (Pinocembroside)*	1.1764	0.6473
Pinocembrin-7-O-sophoroside	1.0821	0.8359
Piperidine	0.8564	1.2873
Piperonylic acid	0.7401	1.5199
pithecellobiumol B	0.9895	1.0209
Platanionoside E	0.9326	1.1348
Pratensein-7-O-glucoside	0.8044	1.3913
Pro-ala	0.9131	1.1737
Pro-Arg-Asp	0.9231	1.1537
Pro-Asn	0.9690	1.0620
Procyanidin B5	0.9226	1.1548
Protocatechualdehyde	0.9601	1.0798
Protocatechuic Acid Methyl Ester	0.9725	1.0549
Pro-Tyr-Val	0.9354	1.1293
Prupersin E	1.1506	0.6989
Pseudopurpurin	1.0011	0.9978
pteleifoside C*	0.9734	1.0533
Pterolactam*	1.0612	0.8775
Pubescenoside A	0.7175	1.5650
Punicic acid (9Z,11E,13Z-octadecatrienoic acid)	1.2645	0.4709
Putrescine	1.1953	0.6094
Pyran[3,4-b]indole-2-ketone	0.8483	1.3034
Pyridine-4-formyl-O-β-D-glucopyranoside*	0.9743	1.0515
Pyridoxal	0.9848	1.0305
Pyridoxine	0.9957	1.0086
Pyridoxine-5^-O-glucoside	0.9604	1.0793
Pyroglutamic acid	1.0206	0.9588
Quercetagetin-7-O-glucoside(Quercetagitrin)*	0.7840	1.4321
Quercetin-3,7-Di-O-glucoside	0.8273	1.3453
Quercetin-3-O-(2^^-O-arabinosyl)rutinoside	1.0621	0.8759
Quercetin-3-O-(2^^-O-galactosyl)glucoside	0.8942	1.2116
Quercetin-3-O-(2^^^-O-p-coumaroyl)sophoroside-7-O-glucoside	1.0550	0.8901
Quercetin-3-O-(2^^-O-rhamnosyl)galactoside*	0.9736	1.0528
Quercetin-3-O-(2^^-O-Rhamnosyl)rutinoside	0.8659	1.2683
Quercetin-3-O-(2^^-O-rhamnosyl)rutinoside-7-O-glucoside	0.9243	1.1514
Quercetin-3-O-(4^^-O-glucosyl)rhamnoside*	0.9969	1.0063
Quercetin-3-O-(6^^-O-acetyl)glucoside	0.8715	1.2570
Quercetin-3-O-(6^^-O-arabinosyl)glucoside*	0.9802	1.0397
Quercetin-3-O-apiosyl(1→2)galactoside*	0.9325	1.1350
Quercetin-3-O-glucoside-7-O-rhamnoside*	0.9733	1.0534
Quercetin 3-O-glucoside 7-O-xyloside	0.8886	1.2229
Quercetin-3-O-glucuronide	0.9338	1.1325
Quercetin-3-O-neohesperidoside*	0.9691	1.0619
Quercetin-3-O-rhamnoside(Quercitrin)	0.9432	1.1136
Quercetin-3-O-rutinoside-7-O-glucoside*	0.9094	1.1812
Quercetin-3-O-rutinoside-7-O-rhamnoside	0.9889	1.0223
Quercetin-3-O-rutinoside (Rutin)*	0.9838	1.0324
Quercetin-3-O-sambubioside*	0.9388	1.1223
Quercetin-3-O-sophoroside (Baimaside)	0.9109	1.1781
Quercetin-3-O-xyloside (Reynoutrin)*	0.9271	1.1457
Quercetin-5,4^-di-O-glucoside	0.8798	1.2404
Quercetin-5-O-glucuronide	0.9153	1.1694
Quercetin-5-O-β-D-glucoside*	0.9610	1.0781
Quercetin-7-O-(6^^-malonyl)glucoside	0.9000	1.2000
Quercetin-7-O-rutinoside*	0.9759	1.0482
Quercetin-7-O-rutinoside-4^-O-glucoside	1.0047	0.9905
(R)-1,2,3,4-Tetrahydro-3-carboxy-2-carboline*	0.8758	1.2484
(R)-3-(3^-Hydroxybutyl)-2,4,4-trimethylcyclohexa-2,5-dienone	0.9935	1.0129
Rhamnetin-3-O-Glucoside*	0.9382	1.1236
Rhodioflavonoside	1.0167	0.9666
Rhodionidin*	1.0261	0.9478
Rhodiosin	0.9440	1.1121
Rhododendrol	0.9939	1.0121
Riboflavin (Vitamin B2)	1.1956	0.6088
Ribosyladenosine	0.9821	1.0358
Robinetin	0.9233	1.1535
Rosmarinic acid	0.9684	1.0632
Rubrofusarin-6-O-glucoside*	0.8999	1.2003
Rubusine	0.9876	1.0247
Rutin Trihydrate	0.9808	1.0385
(S)-2,3-dihydroxypropyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate	1.2970	0.4059
(S)-3-(2-oxopropyl)-3-hydroxyindolin-2-one	0.9559	1.0881
S-(5^-Adenosyl)-L-methionine	1.0830	0.8340
Sachaloside IV*	0.9094	1.1812
S-Adenosylmethionine	0.9339	1.1322
saffloquinoside A	0.9870	1.0261
saikolignanoside D*	1.0651	0.8697
Salicylamide	1.0081	0.9838
Salireposide	0.9146	1.1708
Santalin*	0.8687	1.2626
Scoparone	0.9092	1.1816
Scopoletin-7-O-glucoside (Scopolin)	0.9732	1.0535
Scopoletin-7-O-xylosyl(1→6)glucoside*	0.9524	1.0953
Scopoletin 7-O-β-D-Sophoroside*	0.8959	1.2082
Secoisolariciresinol	0.8673	1.2654
Sedumoside I	0.9235	1.1530
Selagin	0.9633	1.0733
Senkyunolide B*	1.0039	0.9923
Senkyunolide C*	1.0039	0.9923
Senkyunolide M	1.0014	0.9971
Senkyunolide Q*	0.9941	1.0118
Ser-Lys	0.9570	1.0859
Sesuvioside C	1.0237	0.9527
Sexangularetin-3-O-glucoside-7-O-rhamnoside*	0.8276	1.3448
Sexangularetin-triglucoside	0.7980	1.4039
Sinapaldehyde-4-O-Glucoside	0.9775	1.0450
Sinapoyl malate	1.0311	0.9379
Skimmin (7-Hydroxycoumarin-7-O-glucoside)	1.0881	0.8238
S-(Methyl)glutathione	1.0504	0.8992
S-Methyl-L-cysteine	0.8975	1.2049
(S)-Murpanidin	0.8778	1.2444
Sophoricoside*	0.8032	1.3936
Spermidine	1.0684	0.8632
Spermine	1.0860	0.8281
Stachydrine*	0.9912	1.0176
Stearamide	1.0734	0.8531
Sterubin 5-O-Glucoside*	0.8125	1.3750
Stilbostemin B; 3,5-Dihydroxy-4-Methylbibenzyl	0.8952	1.2097
Succinic anhydride	1.0793	0.8413
Succinyladenosine	0.9476	1.1047
Syringetin-7-O-glucoside*	1.0272	0.9457
Tamarixetin-3-O-glucoside-7-O-rhamnoside*	0.9479	1.1042
Taxifolin-7-O-rhamnoside	0.9012	1.1976
Tetradecyldiethanolamine	0.9965	1.0071
Thr-Nap-OH	0.9205	1.1591
Thunberginol B	0.9977	1.0046
Thymidine	1.0464	0.9072
Trans-4-Hydroxy-L-proline*	0.8270	1.3460
trans-Aconitic acid	0.9617	1.0766
Tricin-7-O-neohesperidoside	1.0659	0.8683
Triethyl citrate	0.9635	1.0730
Trimethyllysine	0.9419	1.1162
Trp-Asn	1.0173	0.9653
Trp-Gln-Thr	0.9644	1.0712
Tyr-Gln-Gln	0.9651	1.0698
Tyr-Gly-Phe	0.9090	1.1820
Tyrosol; 4-Hydroxyphenylethanol	0.9980	1.0040
Tyrosyl-Valine	0.9325	1.1350
Tyr-Phe-Asn	0.9297	1.1406
Tyr-Thr-Arg	0.9866	1.0268
Tyr-Val-Met	0.9195	1.1609
Val-Pro	1.0787	0.8425
Verecundin(Pinocembrin-5-glucoside)*	1.1842	0.6316
Vidarabine	1.1515	0.6969
Virgatic acid	0.9407	1.1186
Viscumneoside I*	0.9746	1.0508
Viscumneoside III(Homoeriodictyol-7-O-Apiosyl-(1-2)-Glucopyranoside)*	0.9412	1.1177
Viscumneoside IV(Rhamnazin-3-O-(6^^-hydroxymethylglutaryl)glucoside)	0.8103	1.3794
Vomifoliol (Blumenol A)	1.0498	0.9003
Xanthotoxol; 8-Hydroxypsoralen	0.8941	1.2118
Xeroboside*	0.9927	1.0146
Yuanhuanin*	0.9706	1.0588
Zanthoxyloside*	0.9524	1.0953
Zarzissine*	1.1657	0.6685
α-Conidendrin	0.8420	1.3161
α-D-glucosyl-(1→1^)-3^-amino-3^-deoxy-β-D-glucoside	0.9561	1.0878
α-Ionone*	0.9856	1.0289
β-Ionone*	0.9442	1.1115
γ-Aminobutyric acid	1.0529	0.8943
γ-Glutamyl-L-valine	1.0171	0.9659
γ-glutamylmethionine	1.0165	0.9670
δ-Guanidinovaleric acid	0.9961	1.0079
δ-Tridecalactone	1.0415	0.9169

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

Factors:

F1	Treatment:Control | Sample source:fruit
F2	Treatment:SNP Treatment | Sample source:fruit