Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST004227)

Reversed phase NEGATIVE ION MODE (Analysis AN007036)

Metabolite	Structure	F1	F2
13(S)-HODE	ME1144152	1.25	0.75
1-Naphthalenesulfonyl chloride	ME1144487	0.96	1.04
1alphaH,5alphaH-Guaia-6-ene-4beta,10beta-diol	ME1143775	1.00	1.00
Antibiotic FR 900261	ME1144857	1.05	0.95
Lucidenic acid G	ME1143965	1.28	0.72
(25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-26-oic acid	ME1144943	0.51	1.49
Crenulatoside A	ME1144882	1.18	0.82
3,3-Dimethylglutaric acid	ME1143817	0.75	1.25
Dioxolamycin	ME1144258	1.02	0.98
Lanceolitol B2	ME1144063	1.07	0.93
4-Aminohippuric acid	ME1143923	0.91	1.09
Jioglutin E	ME1144748	0.66	1.34
Inositol	ME1143913	1.10	0.90
2^-Deoxyguanosine	ME1143825	1.07	0.93
Aloe emodin	ME1143841	0.37	1.63
3^-Hydroxyhexobarbital	ME1144666	1.35	0.65
Fluorescamine	ME1144611	0.97	1.03
6-Hydroxymelatonin	ME1143900	0.84	1.16
fluorobenzoylpropionic acid	ME1144564	0.86	1.14
Glaucocalyxin A	ME1143781	1.38	0.62
5^-O-beta-D-glucosyl dihydroascorbigen	ME1144992	1.88	0.12
Estriol 3-sulfate	ME1144478	0.78	1.22
DL-Mannitol	ME1143799	0.67	1.33
Dentatin A	ME1144386	1.18	0.82
7alpha-Hydroxy-3-oxo-4-cholestenoate	ME1144282	0.99	1.01
Bacilysocin	ME1144193	1.11	0.89
Guaiol	ME1143774	1.09	0.91
Carolenalol	ME1144113	0.64	1.36
Arillanin G	ME1144888	1.22	0.78
3-O-methyl-alpha-L-rhamnose	ME1144293	0.76	1.24
4-Chlorophenylacetic acid	ME1143950	1.96	0.04
Melophlin P	ME1144271	1.61	0.39
Harpagide	ME1143735	0.53	1.47
9(S)-HPODE	ME1144413	1.53	0.47
Alangilignoside C	ME1144121	1.78	0.22
Lusitanicoside	ME1144237	1.31	0.69
Limazepine B1	ME1144814	0.92	1.08
Isonicotinylglycine	ME1143957	1.08	0.92
Dibefurin	ME1144900	0.68	1.32
Coumestrol	ME1143853	1.03	0.97
Aflatoxin B1	ME1143801	0.70	1.30
Avenin	ME1144504	0.82	1.18
LysoPE(0:0/22:2(13Z,16Z))	ME1144615	1.12	0.88
Chrysophanol	ME1143872	1.09	0.91
Alloimperatorin	ME1143865	1.16	0.84
Asparaginyl-Tryptophan	ME1144497	1.05	0.95
Eupalinolide K	ME1143930	1.51	0.49
3-(5^-Methylthio)pentylmalic acid	ME1144829	0.94	1.06
circumanthracene	ME1144825	1.04	0.96
lysophosphatidylmyoinositol	ME1144364	1.73	0.27
4-(5-Ethyl-thiophen-2-yl)-4-oxo-butyric acid	ME1144893	0.90	1.10
Glycerophospho-N-Oleoyl Ethanolamine	ME1144122	1.17	0.83
4-Pyridoxic acid	ME1144048	0.79	1.21
Kopsinoline	ME1144128	1.29	0.71
6-Hydroxymyricetin 6,3^,5^-trimethyl ether 3-glucoside	ME1144214	1.51	0.49
Hydroxyprolyl-Threonine	ME1144553	0.99	1.01
DGMG 18:3	ME1144704	1.35	0.65
Hexafluoroisopropanol	ME1144570	0.81	1.19
LysoPI(18:1(9Z)/0:0)	ME1144023	0.98	1.02
Isoferulic acid 3-sulfate	ME1144642	1.10	0.90
(3R)-methyl-7,8-dimethoxy-6-(hydroxymethyl)dihydroisocoumarin	ME1144025	0.93	1.07
Dehydro-1,8-cineole	ME1144340	0.60	1.40
H-LEU-ILE-OH	ME1144749	1.39	0.61
beta-D-Xylopyranosyl-(1->4)-alpha-L-rhamnopyranosyl-(1->2)-D-fucose	ME1144471	1.00	1.00
Anhydroophiobolin A	ME1144694	0.84	1.16
5,6,3^-Trimethoxyflavone	ME1144944	0.49	1.51
(7Z,10Z)-hexadecadienoylcarnitine	ME1144848	0.96	1.04
Lavandoside	ME1143777	1.27	0.73
Annuionone B	ME1144254	0.87	1.13
H-Ile-Asn-OH	ME1144397	1.28	0.72
Lariciresinol	ME1144270	1.50	0.50
Ascleposide B	ME1144125	1.00	1.00
Isosyringalide 3^-alpha-L-rhamnopyranoside	ME1144826	1.60	0.40
Daidzin	ME1144924	0.71	1.29
LysoPE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	ME1144598	1.10	0.90
Isotanciloide	ME1144388	0.85	1.15
Hendecanoic acid	ME1143947	0.95	1.05
HC Toxin	ME1144761	1.31	0.69
Cycloparvifloralone	ME1144877	0.85	1.15
(-)-Dioxibrassinin	ME1144541	0.82	1.18
Ketodeoxyoctonic acid	ME1144177	1.27	0.73
Cetoniacytone B	ME1144333	1.15	0.85
9,12,13-Todea	ME1144100	1.35	0.65
Castanospermine	ME1144441	1.19	0.81
mannosylglucosylglyceric acid	ME1144068	0.96	1.04
Diazoxide	ME1144713	1.14	0.86
Altiloxin A	ME1144869	1.03	0.97
3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside	ME1144126	1.25	0.75
Aduncin	ME1144818	0.96	1.04
Maltodextrin	ME1144542	0.72	1.28
Deoxyshikonin	ME1143737	0.97	1.03
LysoPI(20:4(5Z,8Z,11Z,14Z)/0:0)	ME1144678	1.73	0.27
Di-phosphofructose	ME1144560	0.95	1.05
5-Hydroxymethylcytidine	ME1144462	0.99	1.01
(+/-)-Decursinol	ME1143845	1.90	0.10
H-gamma-Glu-Gln-OH	ME1143849	1.11	0.89
7-Demethoxy-7-oxo-albocycline	ME1144902	0.88	1.12
Hexadecanoic acid	ME1144465	0.96	1.04
D-Xylonic acid	ME1143902	1.04	0.96
beta-Hydroxymyristic acid	ME1144054	1.16	0.84
Dicranin	ME1144962	1.15	0.85
Fruticoside B	ME1144325	0.94	1.06
Clauslactone N	ME1144420	1.05	0.95
L-Cladinose	ME1144141	0.84	1.16
Euscapholide	ME1144350	1.21	0.79
3-hydroxylaurate	ME1143884	1.57	0.43
Cyrmenin A	ME1144878	1.92	0.08
Dehydro-4-methoxycyclobrassinin	ME1144649	0.91	1.09
Bungeiside D	ME1144173	1.15	0.85
Cadinane-4beta,5alpha,10beta-triol	ME1144839	0.98	1.02
L-Histidine	ME1143919	1.06	0.94
2-Deoxy-D-glucopyranose 6-phosphate	ME1143989	0.56	1.44
demethylkotanin	ME1144898	0.64	1.36
2-palmitoyl-trehalose	ME1144083	0.87	1.13
Hydroxyphenyllactic acid	ME1143899	0.78	1.22
Dihydroartemisinic acid	ME1143768	1.16	0.84
Dodecylbenzenesulfonic acid	ME1144028	0.96	1.04
Kunzeaphlogin F	ME1144064	1.16	0.84
LysoPE(20:4(8Z,11Z,14Z,17Z)/0:0)	ME1144371	0.97	1.03
CPA(18:0/0:0)	ME1144655	1.09	0.91
Isotachioside	ME1144132	1.42	0.58
D-Erythronolactone	ME1143911	0.85	1.15
Glochidionionoside A	ME1144092	0.93	1.07
Glyceryl 5-hydroxydecanoate	ME1144523	0.85	1.15
Lactobionic acid	ME1143772	0.85	1.15
Linderofruticoside A	ME1144738	0.99	1.01
cis-1,2-Dihydroxy-4-methylcyclohexa-3,5-diene-1-carboxylate	ME1144387	0.95	1.05
Itoside I	ME1144292	1.35	0.65
(3beta,24xi)-Cycloartane-3,24,25-triol	ME1144548	0.49	1.51
5,4^-Dihidroxy-7,8,2^,3^-tetramethoxy flavone 5-glucoside	ME1144927	1.30	0.70
ISOPROPYL BETA-D-GLUCOPYRANOSIDE	ME1144985	1.03	0.97
4^-O-Methylkievitone	ME1144475	1.82	0.18
H-PHE-LEU-OH	ME1144398	1.20	0.80
Eurystatin C	ME1144909	0.55	1.45
4-(4-Methylcyclohexyl)-4-oxobutanoic acid	ME1144501	0.92	1.08
Homovanillic acid 4-glucuronide	ME1144498	1.34	0.66
6-Deoxylamioside	ME1144071	1.12	0.88
7-beta-D-Glucopyranosyloxybutylidenephthalide	ME1144670	0.79	1.21
6-Caffeoylsucrose	ME1144492	0.68	1.32
Leprapinic acid	ME1144716	0.98	1.02
Lamiol	ME1144755	1.17	0.83
9-O-Methylglyceofuran	ME1144241	1.26	0.74
Hydroxygenkwanin	ME1143866	1.01	0.99
Conyzatin	ME1144276	0.71	1.29
Kadsuphilin C	ME1144859	1.41	0.59
Lenalidomide	ME1144627	1.15	0.85
2^-O-Methyluridine	ME1143951	0.87	1.13
Estriol	ME1143828	1.00	1.00
LysoPE(0:0/18:0)	ME1144345	1.04	0.96
6-Methylcoumarin	ME1143945	1.01	0.99
Dicaprylyl carbonate	ME1143757	0.63	1.37
L-enantiomer	ME1144632	0.84	1.16
LysoPE(0:0/20:3(5Z,8Z,11Z))	ME1144614	1.05	0.95
(2E)-21-hydroxyhenicos-2-enoic acid	ME1144223	0.78	1.22
Lys-Asp-Tyr	ME1144163	0.95	1.05
Catalpol	ME1144957	1.17	0.83
2-Deoxyribose	ME1144714	1.04	0.96
2-Hydroxymyristic Acid	ME1144783	1.02	0.98
FAHFA 36:3	ME1144050	1.24	0.76
5-(2^-Formylethyl)-4,6-dihydroxypicolinate	ME1144139	0.86	1.14
9-(2,3-dihydroxypropoxy)-9-oxononanoic acid	ME1144027	1.10	0.90
9(S)-HpOTrE	ME1144130	1.17	0.83
3beta,4beta,23-Trihydroxy-24-nor-olean-12-en-28-oic acid	ME1144192	1.21	0.79
Itoside L	ME1144794	1.21	0.79
Antibiotic BU 2867TA	ME1144171	1.05	0.95
2,4-Di-tert-butylphenol	ME1143939	1.07	0.93
Actofunicone	ME1144391	0.72	1.28
LysoPG(18:2(9Z,12Z)/0:0)	ME1144015	1.22	0.78
LysoPE(0:0/14:0)	ME1144011	0.99	1.01
(-)-7-Hydroxyspectaline	ME1144320	1.36	0.64
Ficiolide K	ME1144679	0.99	1.01
Casuarinondiol	ME1144104	0.90	1.10
Inosinic acid	ME1143834	0.50	1.50
L-Leucyl-L-Valine	ME1143909	1.35	0.65
Fructo-oligosaccharide DP7 / GF6	ME1143743	0.84	1.16
3-Deoxypentosone	ME1143991	1.03	0.97
3-Epiphlomurin	ME1144301	1.20	0.80
Fosfructose	ME1143942	0.94	1.06
epsilon-L-norlysyl pyrraline	ME1144906	1.17	0.83
Clerodendrin H	ME1144836	0.94	1.06
5-epi-Valiolol 7-phosphate	ME1144114	1.15	0.85
Asystasioside A	ME1144297	0.52	1.48
Cochinolide beta-glucopyranoside	ME1144727	0.84	1.16
Celerioside E	ME1144277	0.70	1.30
5-Sulfosalicylate	ME1144937	1.12	0.88
2alpha-Hydroxytirotundin	ME1144904	1.09	0.91
4-Hydroxyphthalate	ME1144179	0.86	1.14
LysoPS(18:2(9Z,12Z)/0:0)	ME1143976	1.05	0.95
GroPIns	ME1144075	0.71	1.29
Glycerophosphoglycerol	ME1143986	0.84	1.16
Gallicynoic acid F	ME1144098	1.12	0.88
EPIAFZELECHIN (2R,3R)(-)	ME1144299	0.93	1.07
6-deoxy-6-sulfoglucono-1,5-lactone	ME1144685	0.78	1.22
3,5,6-Trihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-one	ME1144600	0.33	1.67
5,9-epi-Penstemoside	ME1144399	1.44	0.56
gamma-Glu-Gly	ME1143836	0.95	1.05
galactopinitol A	ME1144356	0.59	1.41
Formyl-5-hydroxykynurenamine	ME1144246	1.14	0.86
Coriandrone A	ME1144556	0.87	1.13
2-n-Propyl-4-oxopentanoic acid	ME1144816	0.82	1.18
2-O-(alpha-D-Mannosyl)-D-glycerate	ME1144116	0.76	1.24
Kukoamine A	ME1144085	1.15	0.85
Corchorifatty acid F	ME1144103	1.19	0.81
Cinncassiol E	ME1144093	0.95	1.05
5,4^-Dihydroxy-6,7,8-trimethoxyflavanone	ME1144408	0.88	1.12
5^-Hydroxyasperentin	ME1144264	0.74	1.26
Linoleoyl glycine	ME1144267	1.39	0.61
Kadsuphilin D	ME1144855	1.21	0.79
Ethyl vanillate	ME1144032	0.94	1.06
3,4-Dihydroxymandelaldehyde	ME1143898	0.66	1.34
3-(4-Methyl-3-pentenyl)thiophene	ME1144613	1.04	0.96
Allantoin	ME1143916	0.93	1.07
Dulxanthone G	ME1144851	1.10	0.90
LysoPE(18:3(6Z,9Z,12Z)/0:0)	ME1143958	1.19	0.81
LysoPE(0:0/20:1(11Z))	ME1144549	0.94	1.06
Lehualide I	ME1144788	0.79	1.21
Jioglutin C	ME1144256	1.06	0.94
Glycerol 1-(5-hydroxydodecanoate)	ME1144481	0.73	1.27
Ericifolin	ME1144766	0.94	1.06
D-glycero-L-galacto-Octulose	ME1144004	0.95	1.05
Dehydrogaertneroside	ME1144939	0.98	1.02
Clematin	ME1144290	1.40	0.60
5-methyluridine	ME1143896	1.05	0.95
5alpha-Pregnan-3alpha,20beta-diol disulfate	ME1144499	1.06	0.94
3-Hydroxyphenylaceitic acid sulfate	ME1144710	1.03	0.97
(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol	ME1144735	0.89	1.11
2-Amino-2-deoxy-D-gluconate	ME1144459	1.28	0.72
3alpha-Hydroxy-8alpha-acetoxy-3-desoxo-11beta,13-dihydroparishin A	ME1144959	0.86	1.14
Hesperetin	ME1143846	0.78	1.22
Fructo-oligosaccharide DP9/GF8	ME1144445	0.81	1.19
D-Ribulose-5-phosphate	ME1144045	0.77	1.23
Docosanedioate	ME1144127	0.70	1.30
Blepharizol A	ME1144155	1.01	0.99
(4Z,7Z)-deca-4,7-dien-1-yl hydrogen sulfate	ME1144827	1.65	0.35
4^-O-Galloylsucrose	ME1144671	0.83	1.17
(3R)-3,22-dihydroxybehenic acid	ME1144777	1.00	1.00
2-Amino-5-phosphonopentanoic acid	ME1144480	0.68	1.32
3-Methoxy-4-Hydroxyphenylglycol sulfate	ME1144518	1.35	0.65
lysine phosphoester	ME1144493	0.97	1.03
LC3-mHTT-IN-AN2	ME1143748	1.93	0.07
Isoochracinic acid	ME1144180	0.75	1.25
Dictamnoside I	ME1144852	0.81	1.19
Comnostin D	ME1144166	0.83	1.17
Avicennone G	ME1144337	0.91	1.09
Asperulosidic acid	ME1143794	1.06	0.94
alpha-Hydroxycycloheptanetridecanoic acid	ME1144319	0.87	1.13
Agarotetrol	ME1143767	0.73	1.27
2,6-Dihydroxybenzoic acid	ME1143808	1.31	0.69
7,8-Dihydroneopterin	ME1144460	0.88	1.12
Leu-Ala-Asp	ME1144938	1.34	0.66
Lemnaliadione	ME1144257	1.00	1.00
Imirestat	ME1144622	0.59	1.41
FA 18:3+2O	ME1144043	1.09	0.91
Ethyl ferulate	ME1143935	1.04	0.96
Dihydrocoumarin	ME1143861	1.02	0.98
Didesmethyl tocotrienol	ME1144012	0.91	1.09
Dendroside D	ME1144389	1.21	0.79
Damascenone	ME1143938	0.88	1.12
Citrifolinin B epimer b	ME1144312	0.82	1.18
4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde	ME1144189	1.00	1.00
3-(3,4-Dihydroxyphenyl)-1-propanol 3^-glucoside	ME1144489	0.95	1.05
2-Deoxystreptamine 4-phosphate	ME1144981	1.15	0.85
2-Oxopimelate	ME1144370	1.03	0.97
LysoPE(20:2(11Z,14Z)/0:0)	ME1144597	1.02	0.98
Hymenoside M	ME1144135	1.11	0.89
Flavoplatycoside	ME1144834	0.71	1.29
Flabellinol	ME1144998	0.87	1.13
Bis(glycerophospho)-glycerol	ME1144313	0.95	1.05
Bis(2-ethylhexyl) hydrogen phosphate	ME1143979	1.77	0.23
Baccatin	ME1144008	0.89	1.11
9beta-Hydroxy-11beta,13-epoxyatripliciolide-8-O-methacrylate	ME1144361	0.70	1.30
4-Fluoro-2-(trifluoromethyl)phenylacetic acid	ME1144519	1.02	0.98
(+)-8-Hydroxy-alpha-conidendric acid methyl ester	ME1144302	1.44	0.56
Mallophenol A	ME1144765	1.03	0.97
Lawsone methyl ether	ME1143773	0.75	1.25
Lanceolitol B4	ME1144375	1.32	0.68
Glucose 3-hydroxybutyrate	ME1143968	1.09	0.91
D-Gluconic Acid	ME1143882	1.19	0.81
derrusnin	ME1144933	0.60	1.40
D-4^-Phosphopantothenate	ME1144474	1.11	0.89
Aquaticoside B	ME1144805	1.24	0.76
Allopurinol riboside	ME1143816	1.10	0.90
7-Hydroxychromone	ME1144230	1.04	0.96
(3R)-3,11-dihydroxyundecanoic acid	ME1144867	0.71	1.29
3-Methyluridine	ME1144461	1.13	0.87
3-Methylcatechol 2-sulfate	ME1144472	1.39	0.61
3-Methoxy-D-homoestra-1,3,5(10),8-tetraen-17abeta-ol	ME1144421	0.79	1.21
2-Hydroxyphenanzine-1-Carboxylic acid	ME1144031	0.98	1.02
3-Deoxy-lyxo-heptulosaric acid	ME1144232	1.04	0.96
Indoleacetaldehyde	ME1143955	0.99	1.01
formycin b	ME1144115	0.86	1.14
Emodin	ME1143838	2.00	0.00
DL-DOPA	ME1144784	0.97	1.03
Besarhanamide A	ME1144274	1.17	0.83
4-Hydroxybenzoyl glucose	ME1144021	0.92	1.08
(8E,10S,12Z,15Z)-10-Hydroperoxyoctadeca-8,12,15-trienoate	ME1144412	1.17	0.83
Malyngamide R	ME1144860	0.60	1.40
Lauryl sulfate	ME1144039	1.52	0.48
Lamiide	ME1144977	1.24	0.76
Glaucolide A	ME1144935	1.05	0.95
Crosatoside B	ME1144538	1.31	0.69
chlortetracycline	ME1144987	1.25	0.75
Butylphthalide	ME1143764	0.85	1.15
BCA 1	ME1144682	0.42	1.58
ascaroside C3	ME1144438	0.91	1.09
Ac-DL-Trp-OH	ME1143814	0.79	1.21
(7R,8R)-3-Methoxy-3^,4,7,9,9^-pentahydroxy-8,4^-oxyneolignan	ME1144562	0.68	1.32
5,6-Dimethoxysterigmatocystin	ME1144586	1.30	0.70
2^-Deoxyuridine	ME1143895	1.11	0.89
3,4,5-Trimethoxybenzaldehyde	ME1143755	1.01	0.99
L-1,2,3,4-Tetrahydro-beta-carboline-3-carboxylic acid	ME1144599	1.32	0.68
Kaurenoic acid	ME1143851	1.90	0.10
Falimint	ME1144589	1.14	0.86
D-Erythrose 4-phosphate	ME1143835	1.00	1.00
Brittonin B	ME1144970	0.76	1.24
Betulalbuside A	ME1144831	1.06	0.94
Barlerin	ME1144443	0.88	1.12
9,10-Epoxy-18-hydroxy-octadecanoic acid	ME1143985	0.91	1.09
4-Methoxy-l-phenylalanine	ME1144334	0.88	1.12
(3R)-3,20-dihydroxyicosanoic acid	ME1144187	1.05	0.95
2-Hydroxyhexadecanoic acid	ME1143904	1.15	0.85
3,4-Dimethylthiophene	ME1144515	1.04	0.96
D-alpha-D-Hep-(1->6)-beta-D-Glc	ME1144222	0.93	1.07
CPA(18:2(9Z,12Z)/0:0)	ME1144517	1.42	0.58
beta-Phenylethanol beta-D-rutinoside	ME1144585	1.09	0.91
6-Ketomyristic acid	ME1144628	0.83	1.17
5,5-Diphenylbarbituric acid	ME1144477	0.78	1.22
3,4-Dimethyl-5-pentyl-2-furannonanoic acid	ME1144016	1.33	0.67
2-Hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione	ME1144244	0.98	1.02
2-Methoxyoctadecanoic acid	ME1144812	0.84	1.16
Lucideric acid A	ME1144447	1.65	0.35
Guanosine	ME1143830	1.17	0.83
Gardenoside	ME1143736	1.28	0.72
Ethyl pivaloylacetate	ME1143751	1.00	1.00
(E)-3-(4-Methoxyphenyl)acrylic acid	ME1143823	1.11	0.89
Dimethisterone	ME1144099	1.91	0.09
CYSTEIC ACID	ME1144709	1.07	0.93
Caudatoside E	ME1144856	1.76	0.24
benzyl acuminose	ME1144414	1.03	0.97
3,5-Dihydroxybenzoic acid	ME1143907	0.97	1.03
6-O-Veratroylcatalpol	ME1144917	1.42	0.58
Magnostellin B	ME1144090	1.61	0.39
LysoPE(0:0/20:0)	ME1144551	1.04	0.96
Fluanisone	ME1144550	1.11	0.89
Ethyl glucuronide	ME1143833	0.83	1.17
Erythroxyloside B	ME1144346	1.60	0.40
D-Sorbitol-6-phosphate	ME1144061	0.45	1.55
4-Methyldibenzothiophene	ME1144520	0.73	1.27
4-cholesten-7alpha,12alpha,26-triol-3-one	ME1144407	1.23	0.77
2-hydroxyoctanedioic Acid	ME1144870	1.23	0.77
3^,4^-Dihydrooxepino-6^-hydroxybutein	ME1144431	1.46	0.54
Ixoside	ME1144786	0.87	1.13
Isomalt	ME1144449	0.98	1.02
(-)-Glyceollin I	ME1144740	1.28	0.72
Gephyronic acid	ME1144372	1.32	0.68
CPA(18:1(11Z)/0:0)	ME1143974	1.26	0.74
cis-9,10-Epoxystearic Acid	ME1143782	1.09	0.91
6-Thioinosinic acid	ME1144662	1.27	0.73
4-(Trifluoromethyl)benzoic acid	ME1143963	0.91	1.09
2-Oxophytanate	ME1144266	1.20	0.80
3-Ethoxy-3-oxopropanoic acid	ME1143811	1.13	0.87
L-Glycyl-L-Valine	ME1143908	1.27	0.73
Levodione	ME1144243	0.89	1.11
Effusol	ME1143788	0.74	1.26
delta4-Dafachronic acid	ME1144033	0.86	1.14
Apional	ME1143996	1.00	1.00
2-(4-Methoxyphenyl)ethyl hydrogen sulfate	ME1144511	0.90	1.10
8-Chlororugulovasine A	ME1144896	0.56	1.44
Kobusone	ME1144119	0.92	1.08
Glycerophosphoserine	ME1143998	0.69	1.31
cis-2-Carboxycyclohexyl-acetic acid	ME1144191	1.00	1.00
Cholesteryl sulfate	ME1143932	1.14	0.86
Chaetoviridin H	ME1144680	1.46	0.54
3-Hydroxyphenylacetate	ME1144393	0.86	1.14
3-hydroxy-3-(3-hydroxyphenyl)propanoic acid-O-sulphate	ME1143962	0.78	1.22
3-Hydroxy-4-butanolide	ME1144506	0.93	1.07
Maculosin	ME1143753	1.14	0.86
Isalexin	ME1144887	0.58	1.42
Glidobactin D	ME1144169	1.15	0.85
3,4,5-Trimethoxycinnamic acid	ME1143903	0.89	1.11
3,7-Dimethyl-5-octene-1,7-diol 1-glucoside	ME1144592	1.11	0.89
LysoPI(18:2(9Z,12Z)/0:0)	ME1143990	1.03	0.97
L-Olivosyl-oleandolide	ME1144866	0.96	1.04
Icariside D2	ME1144263	0.85	1.15
Didymin	ME1143978	1.71	0.29
Corchoionoside B	ME1144571	1.19	0.81
8-Hydroxy-2,3,4,7-tetramethoxyphenanthrene	ME1144792	0.68	1.32
6-n-Propyluracil	ME1144532	0.81	1.19
3,6-dichlorocatechol	ME1144668	0.77	1.23
3-Methylhistidine	ME1144466	0.88	1.12
Limazepine C	ME1144936	0.84	1.16
Kynapcin 13	ME1144239	0.88	1.12
Ipanguline D10	ME1144948	1.43	0.57
Chakanoside I	ME1144824	0.71	1.29
Annomuricatin C	ME1144288	1.20	0.80
Anabaseine	ME1144544	1.12	0.88
Agar	ME1144524	1.13	0.87
9,10-Epoxy-13-hydroxy-11-octadecenoate	ME1144079	1.17	0.83
5-Hydroxycoumarin	ME1144208	0.90	1.10
4^-Deoxykanokoside A	ME1144403	1.24	0.76
3-O-(alpha-L-rhamnopyranosyl)-D-ribitol	ME1144110	1.29	0.71
2-Phenylethyl beta-D-glucopyranoside	ME1144536	0.76	1.24
(24R)-Ergost-4-ene-3,6-dione	ME1143969	0.59	1.41
2-hydroxypentadecanoic acid	ME1144200	0.95	1.05
LysoPS(16:0/0:0)	ME1144003	1.10	0.90
LysoPG(18:1(9Z)/0:0)	ME1143961	1.12	0.88
Hexosyl LPE 16:0	ME1144036	0.92	1.08
Heptadecanoic acid	ME1143914	0.62	1.38
Griseolutein B	ME1144156	1.27	0.73
FA 18:4+1O	ME1144706	1.33	0.67
Ethyl (S)-3-hydroxybutyrate glucoside	ME1143982	0.97	1.03
(+/-)-Ethyl 3-mercapto-2-methylbutanoate	ME1144013	1.06	0.94
Dracunculifoside H	ME1144796	1.47	0.53
Apigenin 7-xyloside	ME1144908	0.66	1.34
5-Methylthio-D-ribose	ME1144837	1.64	0.36
4-Methylumbelliferyl phosphate	ME1144494	0.88	1.12
4-Methyl-2-phenyl-2-pentenal	ME1144673	0.90	1.10
2-Desoxy-4-epi-pulchellin	ME1143769	0.80	1.20
2-hydroxy-4-(methylthio)butanoate	ME1144439	0.79	1.21
isovanillate	ME1144745	0.92	1.08
Hongdoushan A	ME1144799	0.76	1.24
Fortunolide B	ME1144265	1.17	0.83
Eiseniaiodide B	ME1144737	0.80	1.20
Ebracteatoside D	ME1144089	0.74	1.26
Diospyrososide	ME1144311	0.89	1.11
D-Fructose-6-phosphate	ME1143798	0.84	1.16
Azaleatin 3-glucoside	ME1143973	1.99	0.01
Arborside A	ME1144835	0.74	1.26
Apigeniflavan 5-O-xyloside	ME1144314	0.81	1.19
5-Feruloylquinic acid	ME1143848	1.38	0.62
{2-methoxy-4-[(5-oxooxolan-2-yl)methyl]phenyl}oxidanesulfonic acid	ME1144572	1.18	0.82
4-Thiouridine	ME1143905	0.91	1.09
cis-10-Pentadecenoic acid	ME1143875	1.09	0.91
Chemomicin A	ME1144756	0.61	1.39
5-Hydroxyferulic acid	ME1143802	0.94	1.06
3-(2-Carboxyethenyl)-cis,cis-muconate	ME1144206	0.73	1.27
3-propylbenzene-1,2-diol	ME1144327	0.71	1.29
Malyngamide W	ME1144278	1.18	0.82
lysophosphatidic acid	ME1144395	1.17	0.83
Leu-Ala-Gly	ME1144411	1.41	0.59
Hexadeca-4,7,10,13-tetraenoic acid	ME1144227	0.90	1.10
Fenethazine	ME1144663	1.44	0.56
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside]	ME1144573	0.85	1.15
Ethanone, 1-(4-butylphenyl)-	ME1144557	1.00	1.00
ent-19-Acetoxy-14,15,16-trihydroxymanoyl oxide	ME1144850	1.74	0.26
Elephantorrhizol	ME1144963	0.80	1.20
Desethylchloroquine	ME1144528	1.12	0.88
cis-7,10,13,16-Docosic acidtraenoic acid	ME1143876	1.97	0.03
Aminofructose 6-phosphate	ME1144650	1.15	0.85
Albocycline M-1	ME1144753	0.93	1.07
(+)-(3R,8S)-Falcarindiol	ME1143761	0.96	1.04
2-Amino-5-nitrophenol	ME1144711	1.16	0.84
3,3^-Dimethylbisphenol A	ME1144946	0.91	1.09
Humilixanthin	ME1144563	1.50	0.50
Hexanethioic acid S-propyl ester	ME1144631	1.08	0.92
Guayulin B	ME1144728	1.04	0.96
(-)-Falcarinol	ME1144988	1.89	0.11
Artemotil	ME1143745	1.04	0.96
Alangilignoside D	ME1144170	1.79	0.21
9,10,18-Trihydroxyoctadecanoic acid	ME1144154	1.02	0.98
4-Hydroxyphenylacetylglutamic acid	ME1144874	1.39	0.61
5-(10,13-Nonadecadienyl)-1,3-benzenediol	ME1144010	0.61	1.39
Litsenolide C1	ME1144813	0.98	1.02
Licoagroside C	ME1144986	1.16	0.84
Kalmiatin	ME1144864	1.22	0.78
Isoorientin 7,3^,4^-trimethyl ether	ME1144960	1.03	0.97
Gnetifolin K	ME1144289	1.63	0.37
(-)-Galbonolide A	ME1144787	0.44	1.56
Dendroside F	ME1144242	1.13	0.87
cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene	ME1144418	0.94	1.06
Aspergillide B	ME1144769	0.93	1.07
3,4-Bis(methoxycarbonyl)benzoic acid	ME1144247	0.89	1.11
8-Chloroinosine	ME1144654	0.59	1.41
Lepidiumterpenyl ester	ME1144644	0.87	1.13
Hexane-1,5-diol 1-O-beta-D-glucopyranoside	ME1144226	1.19	0.81
Ethyl 4-(acetylthio)butyrate	ME1144630	1.44	0.56
Effuside II	ME1144195	0.93	1.07
Dihydroconiferyl alcohol	ME1144453	0.83	1.17
Cyclic ADP-ribose	ME1144339	0.79	1.21
Alisol A 24-acetate	ME1144444	0.11	1.89
6^-O-alpha-D-glucopyranosylloganic acid	ME1144914	1.21	0.79
8,10-Dihydroxy-2,6,10-trimethyl-2,6,11-dodecatrien-4-one	ME1144423	1.01	0.99
1-Stearoylglycerophosphoserine	ME1143999	1.69	0.31
Macrosphelide J	ME1144183	1.21	0.79
LysoPC(0:0/16:0)	ME1144537	0.99	1.01
L-Tryptophan	ME1143921	1.13	0.87
L-Ascorbic acid	ME1143883	1.05	0.95
Hexadecanal	ME1143940	1.16	0.84
Gabaculine	ME1144975	0.87	1.13
epoxytwinol A	ME1144162	0.80	1.20
Daumone 4	ME1144775	1.14	0.86
Daphnetin	ME1143785	0.94	1.06
Camalexin	ME1143943	0.66	1.34
Andrograpanin	ME1143933	1.81	0.19
5-HYDROXY TRYPTOPHOL BETA-D-GLUCURONIDE	ME1144269	1.04	0.96
3,3^-Dichlorobenzidine	ME1144574	0.88	1.12
2,6,10,14-Tetramethyl-6,10,15-hexadecatriene-2,3,8,14-tetrol 8-acetate	ME1144220	1.29	0.71
2-Amino-5-oxohexanoate	ME1144932	1.09	0.91
L-tyrosyl-L-valine	ME1144394	1.50	0.50
Kunzeaphlogin A	ME1144428	1.60	0.40
Jasmolactone B	ME1144923	0.88	1.12
Gingerglycolipid C	ME1144657	1.17	0.83
Cryptocaryol E	ME1144417	0.75	1.25
Aurantio-obtusin beta-D-glucoside	ME1143754	1.19	0.81
3-O-alpha-Mycarosylerythronolide B	ME1144365	0.94	1.06
Albocycline M-6	ME1144730	0.96	1.04
Lethedoside B	ME1144803	1.54	0.46
Lauroyl peroxide	ME1144776	0.85	1.15
Grevilloside C	ME1144160	0.93	1.07
alpha-Carboxy-delta-decalactone	ME1144647	0.76	1.24
6-keto Testosterone Enanthate	ME1144879	1.40	0.60
5Z-7-Oxozeaenol	ME1144845	0.79	1.21
5-Deoxyeustomoside	ME1144161	1.51	0.49
4,7,7,11-Tetramethyl-12-oxabicyclo[9.1.0]dodec-4-ene-3,6-diol	ME1144149	1.04	0.96
2-Cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid	ME1144567	1.17	0.83
2-Methoxynaphthalene	ME1144579	0.89	1.11
Hastatoside	ME1143759	1.12	0.88
gamma-Glutamyltyramine	ME1144778	1.50	0.50
Ficipyrone A	ME1144695	1.01	0.99
Decarbamoylsaxitoxin	ME1144621	1.72	0.28
Dankasterone A	ME1144822	1.07	0.93
Curcumol	ME1143780	1.14	0.86
alpha-Maltose 1-phosphate	ME1144279	0.72	1.28
ACTG toxin B	ME1144368	0.46	1.54
9,10-Dihydroxystearic acid	ME1144198	1.25	0.75
5beta-Cholestane-3alpha,7alpha,24-triol	ME1144000	0.95	1.05
7,3^,4^-Trihydroxy-5-methoxy-6-C-methylflavanone 7-O-glucoside	ME1144426	1.17	0.83
Cyanidin 3-(2G-glucosylrutinoside)	ME1144701	1.34	0.66
CPA(16:0/0:0)	ME1144009	1.34	0.66
Casuarine	ME1144251	1.18	0.82
Buxifoliadine-F	ME1144969	1.99	0.01
Adenosine-5^-diphosphate Di(monocyclohexylammonium)salt	ME1144280	0.72	1.28
2,4-Dihydroxy-6,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-one	ME1144509	0.94	1.06
Acutissimalignan B	ME1144951	1.95	0.05
LysoPA(20:3(8Z,11Z,14Z)/0:0)	ME1144513	1.04	0.96
Icariside H1	ME1144196	0.97	1.03
Eurostoside	ME1144862	1.18	0.82
Cysteinyl-Methionine	ME1144491	1.04	0.96
Botryolide D	ME1144743	0.98	1.02
9,17-Octadecadiene-12,14-diyne-1,11,16-triol	ME1144974	1.02	0.98
3,3^,4,5,5^-Pentahydroxystilbene	ME1144354	0.58	1.42
3^,4^-Dihydroxyflavone	ME1143791	0.73	1.27
Isofraxidin	ME1144454	1.11	0.89
D-Pantothenic acid	ME1143831	1.16	0.84
Diferuloyl glycerol	ME1144702	1.23	0.77
Blazeispirol V	ME1144284	1.38	0.62
Bispyribac	ME1144915	1.60	0.40
Bilobalide	ME1143827	0.74	1.26
6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2^-O-acetate	ME1144069	1.22	0.78
3-O-Methylgallic acid	ME1143776	0.74	1.26
2,6-Diamino-9-(2-hydroxyethoxymethyl)purine	ME1144558	1.07	0.93
3-beta-D-Galactosyl-sn-glycerol	ME1144118	1.21	0.79
Jioglutin D	ME1144872	0.90	1.10
Hydrastinine	ME1143931	0.90	1.10
Foetisulfide A	ME1144147	0.82	1.18
Ficiolide I	ME1144683	0.85	1.15
Dihydrocitrinone	ME1144259	1.05	0.95
Cystothiazole E	ME1144929	0.92	1.08
Coumestan	ME1144583	0.96	1.04
Cichorioside L	ME1144833	0.84	1.16
Cappariloside A	ME1144569	0.93	1.07
Boonein	ME1144817	0.95	1.05
Anisatin	ME1143784	0.87	1.13
(2S,4R)-4-(9H-Pyrido[3,4-b]indol-1-yl)-1,2,4-butanetriol	ME1144484	1.04	0.96
5-(8Z-Heptadecenyl)-1,3-benzenediol	ME1144238	0.64	1.36
Hellebrigenol	ME1143770	1.98	0.02
Fraxamoside	ME1144798	1.26	0.74
(-)-Catechin	ME1143740	1.92	0.08
4,2^-Dihydroxy-3,4^,6^-trimethoxychalcone 4-glucoside	ME1144396	0.88	1.12
2,4-Diaminobenzenesulfonic acid	ME1144029	0.94	1.06
2-Hexyl-3-phenyl-2-propenal	ME1143910	0.92	1.08
Grevilloside E	ME1144097	1.40	0.60
Ebracteatoside C	ME1144359	1.00	1.00
D-Tartaric acid	ME1144708	0.57	1.43
Deacetyl asperuloside	ME1144773	1.09	0.91
Botryolide C	ME1144305	0.84	1.16
2-Methoxy-6-acetyl-7-methyljuglone	ME1144248	0.76	1.24
7,11,15-Trimethyl-3-methylene-1,2-hexadecanediol diacetate	ME1144186	0.95	1.05
H-Pro-Asp-OH	ME1144989	1.20	0.80
Halfordin	ME1144895	0.70	1.30
Dethiobiotin	ME1143892	1.22	0.78
Bufadienolide	ME1144594	0.91	1.09
Broussonetine X	ME1144400	1.46	0.54
Ancistroquinone F	ME1144318	0.90	1.10
(5Z,8Z)-tetradecadienoylcarnitine	ME1144272	1.51	0.49
5-Hydroxy-6-methoxy-3^,4^-methylenedioxyfurano[2^^,3^^:7,8]flavanone	ME1144947	1.21	0.79
5,7,4^-Trihydroxyflavanone 4^-O-rutinoside	ME1144780	1.17	0.83
4-O-(beta-L-Arabinofuranosyl)-(2S,4S)-4-hydroxyproline	ME1144840	1.03	0.97
2-Phenylethyl beta-primeveroside	ME1144091	1.35	0.65
3-Hydroxysebacic acid	ME1143971	0.98	1.02
L-olivosyl-erythronolide B	ME1144084	1.16	0.84
(-)-Hydroxycitric acid	ME1143871	0.79	1.21
Fenthion oxon	ME1144591	0.82	1.18
Cymorcin diglucoside	ME1144483	1.23	0.77
Benzofuran isophthalate	ME1144508	0.99	1.01
Auriculoside	ME1144324	1.00	1.00
AminoDHQ	ME1144229	1.37	0.63
6^-O-Desmethylterphenyllin	ME1144995	0.64	1.36
(2r,3r,4s,5r,6s)-2-(Hydroxymethyl)-6-Sulfanyl-Oxane-3,4,5-Triol	ME1143987	0.88	1.12
3,5-Dihydroxyergosta-7,22-dien-6-one	ME1144535	0.73	1.27
Leu-Phe-Asn	ME1144757	1.27	0.73
Kipukasin J	ME1144689	1.09	0.91
hyperxanthone C	ME1144789	0.87	1.13
Homobutein 4-glucoside	ME1144891	0.52	1.48
Gingerglycolipid B	ME1144531	1.21	0.79
FA 18:2+1O	ME1144042	1.33	0.67
Eucomic acid	ME1144148	1.11	0.89
Abelioside A	ME1144781	0.84	1.16
8-Hydroxynevirapine glucuronide	ME1144473	1.39	0.61
7,8-Dimethoxy-6-hydroxycoumarin	ME1144253	0.81	1.19
4-Methoxyindoxyl sulfate	ME1144545	0.96	1.04
(3R,5R)-3-(((3R,5R)-3,5-dihydroxy decanoyl)oxy)-5-hydroxydecanoic acid	ME1144681	0.72	1.28
2,6-Di-tert-butyl-4-nitrophenol	ME1144052	0.91	1.09
3^-Deoxydryopteric acid	ME1144811	0.86	1.14
Levoglucosan	ME1143813	0.92	1.08
Ixocarpanolide	ME1144547	1.43	0.57
Caledonixanthone E	ME1144378	0.75	1.25
Broussonetine W	ME1144863	1.59	0.41
Botcinic acid	ME1144697	0.76	1.24
Abealpha1-3Manalpha	ME1144131	1.31	0.69
3beta,5alpha,6beta-Cholestanetriol	ME1144185	0.46	1.54
9-OxoOTrE	ME1144234	1.12	0.88
Loliolide beta-D-glucopyranoside	ME1144307	1.13	0.87
Kalbretorine	ME1144931	1.00	1.00
inosine	ME1143897	1.24	0.76
GlcAbeta1-6Galbeta	ME1144175	0.70	1.30
Erythroxyloside A	ME1144806	1.00	1.00
D(+)-Raffinose	ME1143756	0.78	1.22
Deoxyarbutin	ME1144436	0.95	1.05
beta-D-Galp-(1->3)-beta-D-Galp6P-(1->4)-alpha-D-Manp	ME1144390	0.78	1.22
2-Formaminobenzoylacetate	ME1144317	1.68	0.32
Bengamide K	ME1144343	0.92	1.08
Melophlin E	ME1144268	1.35	0.65
FA 18:2+2O	ME1144041	1.21	0.79
Bruceine A	ME1143734	1.62	0.38
(+)-Bornyl diphosphate	ME1144367	0.73	1.27
6-Desmethylsideroxylin	ME1144941	0.62	1.38
5,5^,6,6^-Tetrahydroxy-3,3^-biindolyl	ME1144476	0.35	1.65
2-Hydroxyphytanic acid	ME1144425	0.99	1.01
2^-hydroxypyridoxol	ME1144145	1.04	0.96
LysoPG(16:0/0:0)	ME1143980	1.17	0.83
Ligantrol monoacetate	ME1144768	1.42	0.58
Kopsiyunnanine C1	ME1144912	1.08	0.92
FA 18:1+2O	ME1144040	1.48	0.52
Crocusatin B	ME1144144	1.03	0.97
Carboxyphosphamide	ME1144643	0.90	1.10
Angeloside	ME1144385	1.07	0.93
4-nitrophenylphosphobutanoyl-glycine	ME1144379	1.83	0.17
4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid	ME1144106	1.21	0.79
(3-Chlorophenyl)hydrazonomalononitrile	ME1144469	0.74	1.26
2-O-(alpha-D-Glucopyranosyl)glycerol	ME1144732	0.84	1.16
24-Epicastasterone	ME1144440	1.13	0.87
2-C-methyl-D-erythritol-4-phosphate	ME1144637	1.18	0.82
L-Dihydroorotic acid	ME1143918	0.86	1.14
Hydroxyacetone phosphate	ME1144249	0.89	1.11
Heptadecanal	ME1144516	1.09	0.91
Diethylstilbestrol diphosphate	ME1144949	1.17	0.83
D-erythro-L-galacto-Nonulose	ME1143977	0.82	1.18
Costunolide	ME1143822	1.20	0.80
Aralidioside	ME1144358	0.98	1.02
Alternapyrone B	ME1144026	0.93	1.07
2-Oxo-3-hydroxy-4-phosphobutanoic acid	ME1143993	1.39	0.61
5alpha,8alpha-Epidioxycholesta-6,9(11),22-trien-3beta-ol	ME1144024	1.29	0.71
2,2^-(3-methylcyclohexane-1,1-diyl)diacetic acid	ME1144146	1.06	0.94
Adenosine 5^-monophosphate	ME1144046	0.87	1.13
Homoisocitrate	ME1144190	1.00	1.00
Euplectin	ME1144965	1.20	0.80
Coixol	ME1143858	1.20	0.80
beta-L-Fucose 1-phosphate	ME1144795	0.88	1.12
2,4-Dimethoxyquinazoline	ME1144593	0.59	1.41
6-epiophiobolin I	ME1144696	1.23	0.77
Hpmpa	ME1144576	0.98	1.02
Angelicain	ME1143857	0.91	1.09
5,6-Dihydroxyprostaglandin F1a	ME1144610	0.70	1.30
Amoenin	ME1144377	0.80	1.20
Coriandrone B	ME1144623	0.76	1.24
Desmethylxanthohumol	ME1144601	1.12	0.88
5,7-Dihydroxy-4-methylcoumarin	ME1143749	0.67	1.33
Fraxiresinol 4^-O-beta-D-glucopyranoside	ME1144763	1.45	0.55
2-Deoxy-5,20,26-trihydroxyecdysone 20,22-acetonide	ME1144958	0.97	1.03
Fraxetin	ME1143763	0.40	1.60
Ciprostene	ME1144897	1.49	0.51
4,6-Dioxoheptanoic acid	ME1143819	0.94	1.06
4aalpha,7alpha,7aalpha-Nepetalactone	ME1143771	0.85	1.15
Ilicifolinoside A	ME1144507	1.02	0.98
Ilexgenin A	ME1144437	1.61	0.39
(E)-3,4-Dimethoxycinnamic acid	ME1143870	1.14	0.86
Ascocorynin	ME1144920	0.85	1.15
7-HYDROXY-DL-TRYPTOPHAN	ME1144336	1.01	0.99
2-(4-Hydroxyphenyl)-1-nitroethane	ME1144199	1.13	0.87
2-O-beta-D-Glucopyranosyl-L-ascorbic acid	ME1143797	0.79	1.21
Diethyl 4-aminobenzylphosphonate	ME1144618	0.85	1.15
Dibenzothiophene	ME1144608	1.34	0.66
DHAP(10:0)	ME1144634	0.68	1.32
Clandonensine	ME1144742	0.98	1.02
Cepharadione B	ME1144633	0.93	1.07
Becocalcidiol	ME1144018	1.16	0.84
2-Methyl-4-propyl-1,3-oxathiane	ME1144580	1.07	0.93
Agehoustin B	ME1144427	0.96	1.04
Leonuriside A	ME1144076	1.44	0.56
Flibanserin	ME1144832	0.91	1.09
Dihydroferulic acid	ME1143868	0.91	1.09
4-O-Methyl-a-D-glucosyl-(1->2)-b-D-xylosyl-(1->4)-D-xylose	ME1144602	1.30	0.70
beta-(N(pros)-L-histidino)-L-tyrosine	ME1144790	0.95	1.05
Isomaltoside	ME1144604	1.21	0.79
Hemiariensin	ME1144500	1.46	0.54
Goniothalamusin	ME1144219	1.07	0.93
Glucaric acid	ME1143881	1.08	0.92
Deoxyribose 1-phosphate	ME1144669	0.86	1.14
Deacetylasperulosidic Acid	ME1143936	1.37	0.63
Atractyloside B	ME1144416	0.85	1.15
Aspergillic acid	ME1144687	1.93	0.07
Antcin K	ME1144167	0.67	1.33
5-Phenylvaleric acid	ME1143803	0.88	1.12
alpha-1,5-L-Arabinobiose	ME1144315	0.49	1.51
Dipalmitoylphosphatidylglycerol	ME1143983	0.67	1.33
Di-O-methyldemethoxycurcumin	ME1144442	0.98	1.02
Botryolide A	ME1144871	1.00	1.00
beta-Glycerophosphate	ME1143800	0.97	1.03
7a,12a-Dihydroxy-5b-cholestan-3-one	ME1143997	0.64	1.36
5,6-Dihydro-5-azacytidine	ME1144656	0.85	1.15
5-Deoxylamiol	ME1144158	1.21	0.79
Lophodiol B	ME1144283	1.01	0.99
alpha-Isopropylmalate	ME1143783	0.97	1.03
Granilin	ME1143741	0.86	1.14
Linoleyl alcohol	ME1143738	0.97	1.03
Gymnemagenin	ME1144446	0.49	1.51
Gibberellin A82	ME1144903	0.98	1.02
Euodionoside E	ME1144759	0.88	1.12
Diosalol	ME1144843	0.77	1.23
Chlorovirensic acid	ME1144717	0.96	1.04
Carbocyclic Thromboxane A2	ME1144810	0.99	1.01
allo-Protolichesterinic acid	ME1144058	1.45	0.55
AICAR	ME1144930	0.87	1.13
Acetyl-maltose	ME1144316	0.71	1.29
5,7,3^-Trihydroxy-4^,5^-dimethoxy-6,8-di-C-methylflavanone	ME1144392	0.80	1.20
4,6-O-Ethylidene-D-glucose	ME1144588	1.01	0.99
2-epi-25-Methyldolichosterone	ME1144886	1.01	0.99
4^,5,7-Trimethoxyflavonol	ME1143744	0.74	1.26
LysoPE(15:0/0:0)	ME1143992	1.10	0.90
Gallicynoic acid B	ME1144830	0.69	1.31
(7S)-Hydroprene	ME1144233	1.27	0.73
4-[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]butanoic acid	ME1144521	1.09	0.91
7-Propoxy-chromen-2-one	ME1143966	0.98	1.02
Margaroylglycine	ME1144658	0.71	1.29
Madangolide	ME1144323	1.44	0.56
LysoPS(18:1(9Z)/0:0)	ME1144496	1.07	0.93
LysoPE(16:1(9Z)/0:0)	ME1143967	1.28	0.72
L-Arginine	ME1143917	1.14	0.86
Isopropyl-beta-D-thiogalactopyranoside	ME1144534	1.30	0.70
homo-gamma-Linolenic acid	ME1143922	1.66	0.34
D-Glucose 6-sulfate	ME1144429	1.09	0.91
Cl-Amidine	ME1144797	0.92	1.08
2,5-Dimethoxybenzoic acid	ME1143795	0.82	1.18
2-Propenyl 1-(propylsulfinyl)propyl disulfide	ME1144514	1.01	0.99
Dihydrosyringin	ME1144352	1.07	0.93
buddlenol E	ME1144922	1.54	0.46
2-Keto-D-Gluconic acid	ME1143889	0.76	1.24
Allyltetramethoxybenzene	ME1144353	0.54	1.46
L-glycero-D-manno-Heptose	ME1144409	0.73	1.27
GMP	ME1143912	0.83	1.17
Dihydroxyacetone phosphate	ME1144675	0.88	1.12
Anagyroidisoflavone B	ME1144892	0.15	1.85
4alpha-carboxy-5alpha-cholesta-8-en-3beta-ol	ME1144578	1.19	0.81
9-methanesulfinylnonanoic acid	ME1144703	1.16	0.84
Lyciumoside III	ME1144641	1.26	0.74
Hyrtios sesterterpene 1	ME1144802	1.08	0.92
(-)-(E)-Guggulsterone	ME1143765	0.81	1.19
Cleroindicin B	ME1144142	0.99	1.01
droxidopa	ME1144926	0.93	1.07
2,3-Dkpgf1alpha	ME1144197	0.97	1.03
23-Nordeoxycholic acid	ME1144464	1.21	0.79
1-Hydroxy-2-(N-acetylcysteinyl)-3-butene	ME1144626	1.07	0.93
10,20-Dihydroxyeicosanoic acid	ME1144568	1.32	0.68
12,20-Dihydroxy-19-acetoxy-14-methylenegeranylnerol	ME1144849	1.34	0.66
(1R,2R)-1,2-dihydronaphthalene-1,2-diol	ME1144250	1.01	0.99
2,3-dicaproin	ME1144815	0.94	1.06
(+)-(10R)-7-hydroxy-3-(2-hydroxypropyl)-5,6-dimethylisochromen-1-one	ME1144684	1.10	0.90
20-hydroxy-PGF2a	ME1144236	1.06	0.94
10-Dehydrogardenoside	ME1144422	0.96	1.04
(10E,12E)-9,14-Dioxo-10,12-octadecadienoic acid	ME1144342	1.06	0.94
11-deoxy PGF2alpha	ME1144182	1.19	0.81
2,3,4-Trihydroxybenzoic acid	ME1143867	1.01	0.99
10-Hydroxy-8-nor-2-fenchanone glucoside	ME1144664	0.96	1.04
1-Phenyl-2-decanoylamino-3-morpholino-1-propanol	ME1144490	1.70	0.30
1-(4-Methoxyphenyl)-1-penten-3-one	ME1144620	0.87	1.13
1-(S)-Methylbutyl-beta-D-glucopyranoside	ME1144202	1.16	0.84
15-Acetoxyrudmollin	ME1144369	0.74	1.26
21-hydroxy-heneicosanoic acid	ME1144216	0.90	1.10
1-Octen-3-yl glucoside	ME1144005	1.19	0.81
12-epi-19-O-methyldeoxoscalarin	ME1144905	0.98	1.02
1,5-Naphthalenediamine	ME1144779	1.05	0.95
1-Iodopentane	ME1144495	0.88	1.12
20-hydroxyicosanoic acid	ME1144078	1.01	0.99
1,5-Dibutyl methyl hydroxycitrate	ME1144552	1.54	0.46
2,2,3,3-tetrahydroxy-2,3-dihydronaphthalene-1,4-dione	ME1144771	0.64	1.36
2,3-Bis(3-indolylmethyl)indole	ME1143760	0.95	1.05
1,2-Bis(6-methoxy-1h-benzimidazol-2-yl)ethane-1,2-diol	ME1144022	0.71	1.29
2,3-Butanediol apiosylglucoside	ME1144577	1.25	0.75
12beta,20-Dihydroxy-16beta-Acetoxy-17-scalaren-19,20-olide	ME1144801	1.73	0.27
1-Methoxy-1-(2,4,5-trimethoxyphenyl)-2-propanol	ME1144648	0.83	1.17
19-hydroxy-2,3-dinor-6-oxo-PGF1alpha	ME1144809	0.93	1.07
19-Hydroxycinnzeylanol 19-glucoside	ME1144636	0.92	1.08
(1S,2S)-3-Oxo-2[(2Z)-pentenyl]cyclopentane-1-butyric acid	ME1144734	1.03	0.97
12-Methoxyajmaline	ME1144953	1.09	0.91
1,2-Cyclohexanedione	ME1143818	0.91	1.09
1-heptadecanoyl-glycero-3-phosphoethanolamine	ME1144736	1.04	0.96
2-[(2,6-Dioxocyclohexyl)methyl]cyclohexane-1,3-dione	ME1144525	0.52	1.48
2,4,6-Trihydroxybenzaldehyde	ME1143850	0.86	1.14
1-Stearoylglycerophosphoglycerol	ME1144020	1.38	0.62
2,3-Dihydro-5H-oxazolo(3,2-a)thieno(3,2-d)pyrimidin-5-one	ME1144539	1.00	1.00
10,16-Dihydroxy-hexadecanoate	ME1144112	1.01	0.99
16-HDoHE	ME1144629	0.78	1.22
1,2-dihydroxydibenzothiophene	ME1144690	1.43	0.57
2,3,4,5,2^,3^,4^,6^-Octamethoxychalcone	ME1144955	1.31	0.69
12-epi-19-O-methylscalarin	ME1144215	1.32	0.68
1,4-Dioxane-2,5-diol	ME1143928	0.58	1.42
1-(9H-Pyrido[3,4-b]indol-1-yl)-1,4-butanediol	ME1144645	0.83	1.17
1,2,3,4-Tetrahydro-b-carboline-1,3-dicarboxylic acid	ME1144546	1.53	0.47
1-(3,4-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol	ME1144692	0.77	1.23
1,2,3,4-Tetrafluorobenzene	ME1143960	0.93	1.07
1,2-Dimethyl-6-hydroxy-7-methoxy-9,10-dihydrophenanthrene	ME1144921	0.80	1.20
12-sulfooxy-9,10-dihydrojasmonic acid	ME1144107	0.66	1.34
1beta-Hydroxyalantolactone	ME1143863	0.72	1.28
1,2,3-Trimethoxybenzene	ME1143862	0.71	1.29
1-NBD-decanoyl-2-decanoyl-sn-Glycerol	ME1144209	1.20	0.80
11^-Carboxy-alpha-chromanol	ME1144665	0.60	1.40
(20s)-5-Stigmastene-3beta,7alpha,16beta,20-tetrol	ME1144967	1.09	0.91
15-HEDE	ME1144224	1.00	1.00
1,10-Bis(carboxymethylthio)decane	ME1144540	1.03	0.97
1-Palmitoyl Lysophosphatidic Acid	ME1144070	1.22	0.78
1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphate	ME1144034	1.18	0.82
15-keto-2,3,4,5-tetranor-PGF2alpha	ME1144772	0.81	1.19
1-Methoxy-3-myodesertene	ME1144143	1.32	0.68
1-O-Vanilloyl-beta-D-glucose	ME1144102	1.07	0.93
1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol	ME1144062	1.05	0.95
13,14-dihydro-PGF2alpha	ME1144157	0.93	1.07
16:0 LYSO-PE	ME1144088	0.97	1.03
1,2-Bis-O-sinapoyl-beta-D-glucoside	ME1144184	1.58	0.42
(1R,2R,4R,8S)-p-Menthane-1,2,8,9-tetrol 9-glucoside	ME1144554	1.37	0.63
(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside	ME1144094	1.36	0.64
1-(3-Methylbutanoyl)-6-apiosylglucose	ME1144566	1.08	0.92
12Z-Tridecenoic acid	ME1143888	1.00	1.00
11-Dehydro-2,3-dinor-txb2	ME1144672	0.94	1.06
12alpha-Methylpregna-4,9(11)-diene-3,20-dione	ME1144105	0.84	1.16
19-Furan-2-yl-nonadeca-5,7-diynoic acid methyl ester	ME1144159	1.78	0.22
14alpha-Hydroxyixocarpanolide	ME1143994	0.94	1.06
1-heptadecanoyl-sn-glycero-3-phosphate	ME1144404	1.04	0.96
1H-Indole-3-acetamide	ME1143879	1.20	0.80
1,4-Dihydroxy-2-naphthoic acid	ME1144543	0.96	1.04
13-Hydroxydocosanoic acid	ME1144211	0.65	1.35
1-O-Galloyl-beta-D-glucose	ME1144077	1.06	0.94
13-Methyltetradecanoic acid	ME1143856	0.80	1.20
16,17,18,20-Tetrahydroxy-10,11,14,15-tetrahydronerylgeraniol	ME1144174	0.82	1.18
12-hydroxystearic acid	ME1143877	1.13	0.87
1,6,8-trihydroxy-1H,3H-cyclohepta[c]furan-5-one	ME1144140	0.74	1.26
1-Iodoheptane	ME1144582	0.91	1.09
1,4-Bis(2-ethylhexyl) sulfosuccinate	ME1144774	1.22	0.78
17beta-hydroxy-5beta-estran-3-one	ME1144002	1.14	0.86
1,3,5,6-Tetrahydroxy-8-methylxanthone	ME1144731	0.58	1.42
1-(3,4-Dimethoxyphenyl)-1,3-propanediol	ME1144744	1.09	0.91
13-HOTrE	ME1144053	1.21	0.79
14,19-Dihydroaspidospermatine	ME1144512	1.15	0.85

Factors:

F1	Sample source:wheat grains \| Cultivar:ZM22
F2	Sample source:wheat grains \| Cultivar:ZM7698

Data matrix