Metabolomics Workbench : NIH Data Repository : Analyze Studies

Analysis: GC UNSPECIFIED ION MODE

Metabolite Name	RefMet Name/Standardized Name*	WorkBench Metabolite_ID	PubChem Compound_ID	Kegg Id	Retention time/index	m/z ratio
1-kestose	1-Kestose	ME591955	440080	C03661	1123027	361
1-monopalmitin	MG 16:0/0:0/0:0	ME591940	14900	C01885	901749	129
1-monostearin	MG 18:0/0:0/0:0	ME591973	24699	D01947	959214	203
2,3-dihydroxybutanoic acid	2,3-Dihydroxybutanoic acid	ME592000	250402	-	384796	292
2,5-dihydroxypyrazine	2,5-Dihydroxypyrazine	ME591992	23368901	-	397526	241
2-deoxyerythritol	2-Deoxyerythritol	ME591985	18302	-	355045	117
2-hydroxyglutaric acid	2-Hydroxyglutaric acid	ME591950	43	C02630	506306	247
2-isopropylmalic acid	2-Isopropylmalic acid	ME591949	5280523	C02504	508690	275
2-ketoisocaproic acid	Ketoleucine	ME592048	70	C00233	310761	89
3,4-dihydroxycinnamic acid	Caffeic acid	ME591929	689043	C01197	748847	219
3,6-anhydro-D-galactose	3,6-Anhydro-galactose	ME591966	16069996	C06474	588886	231
4-aminobutyric acid	4-Aminopentanoic acid	ME592058	119	C00334	488730	304
4-hydroxybenzoic acid	4-Hydroxybenzoic acid	ME592034	135	C00156	537290	267
5'-deoxy-5'-methylthioadenosine	5'-Methylthioadenosine	ME592037	439176	C00170	967036	236
6-deoxyglucose	Quinovose	ME591979	93579	-	575986	117
aconitic acid	cis-Aconitic acid	ME592066	643757	C00417	586815	229
adenosine	Adenosine	ME592046	60961	C00212	918039	236
alanine	Alanine	ME592007	5950	C00041	240378	116
alpha-aminoadipic acid	alpha-Aminoadipic acid	ME591925	92136	C00956	573295	260
alpha-ketoglutarate	2-Oxoglutaric acid	ME592005	51	C00026	507392	198
arabitol	Arabitol	ME591941	94154	C01904	572730	103
arachidic acid	Arachidic acid	ME591964	10467	C06425	856421	117
arbutin	Arbutin	ME591999	-	-	895725	254
ascorbic acid	Vitamin C	ME592013	54670067	C00072	672898	332
asparagine	Asparagine	ME592032	6267	C00152	553078	188
aspartic acid	Aspartic acid	ME592010	5960	C00049	480387	232
beta-alanine	beta-Alanine	ME592023	239	C00099	435564	248
beta-gentiobiose	beta-Gentiobiose	ME591968	441422	C08240	965352	160
beta-glycerolphosphate	sn-Glycero-2-phosphate	ME591952	2526	C02979	574470	243
beta-mannosylglycerate	-	ME591970	5460194	C11544	774364	204
beta-sitosterol	Sitosterol	ME591937	222284	C01753	1128225	129
butyrolactam	2-Pyrrolidinone	ME591993	12025	-	277199	142
catechin	Catechin	ME591967	9064	C06562	985007	368
cellobiose	Cellobiose	ME591943	6255	C01971	932179	204
cerotinic acid	Cerotic acid	ME591998	10469	-	1033286	145
chlorogenic acid	Chlorogenic acid	ME591922	1794427	C00852	1051615	255
cinnamic acid	trans-Cinnamic acid	ME591980	-	-	503750	161
cis-caffeic acid	Caffeic acid	ME591988	1549111	-	688023	219
citramalic acid	Citramalic acid	ME591920	1081	C00815	456203	247
citric acid	Citric acid	ME592035	311	C00158	615341	273
citrulline	Citrulline	ME592057	9750	C00327	621404	157
conduritol-beta-epoxide	Conduritol epoxide	ME591975	9989541	-	674500	318
coniferin	Coniferin	ME591917	5280372	C00761	1022427	324
cyanoalanine	Cyanoalanine	ME591983	18647689	-	404807	141
cysteine	Cysteine	ME592022	5862	C00097	500158	220
dehydroabietic acid	Dehydroabietic acid	ME591971	94391	C12078	850374	239
dehydroascorbic acid	L-Dehydroascorbic acid	ME591961	440667	C05422	633423	173
dihydroxyacetone	Dihydroxyacetone	ME592040	670	C00184	332120	89
dihydroxymalonic acid	-	ME591997	68412	-	443241	307
epicatechin	Epicatechin	ME591969	72276	C09727	977307	368
erythronic acid lactone	Erythrono-1,4-lactone	ME591948	5325915	C02341	407495	247
erythrose	Erythrose	ME591938	439574	C01796	443306	205
ethanolamine	Ethanolamine	ME592042	700	C00189	344719	174
ferulic acid	trans-Ferulic acid	ME591932	445858	C01494	732779	338
fructose	Fructose	ME591947	439709	C02336	641863	307
fructose-6-phosphate	Fructose 6-phosphate	ME591958	440641	C05345	804279	315
fucose	Fucose	ME591945	439650	C02095	578299	160
fumaric acid	Fumaric acid	ME592027	444972	C00122	392338	245
galactinol	Galactinol	ME591930	11727586	C01235	998425	204
galactose-6-phosphate	Galactose 6-phosphate	ME591928	439404	C01113	828102	387
gluconic acid	Gluconic acid	ME591909	6857417	C00800	693148	333
glucose	Glucose	ME592047	64689	C00221	659798	319
glucose-1-phosphate	Glucose 1-phosphate	ME592024	65533	C00103	594647	217
glucose-6-phosphate	Glucose 6-phosphate	ME592021	5958	C00092	808788	387
glucuronic acid	Glucuronic acid	ME592043	94715	C00191	665901	333
glutamic acid	Glutamic acid	ME592004	33032	C00025	529100	246
glutamine	Glutamine	ME592011	5961	C00064	600000	156
glutamyl-valine	Glu-Val	ME591984	6992567	-	760894	156
glyceric acid	Glyceric acid	ME592052	439194	C00258	377495	189
glycerol	Glycerol	ME592026	753	C00116	344466	205
glycerol-3-galactoside	Galactosylglycerol	ME591959	16048618	C05401	800205	204
glycerol-alpha-phosphate	sn-Glycero-3-phosphate	ME591953	754	C03189	590747	357
glycine	Glycine	ME592006	5257127	C00037	367302	248
guanidinosuccinate	Guanidinosuccinic acid	ME591911	439918	C03139	557299	328
guanine	Guanine	ME592049	764	C00242	744307	352
guanosine	Guanosine	ME592064	6802	C00387	954962	324
heptadecanoic acid	Margaric acid	ME591995	10465	-	751309	117
histidine	Histidine	ME592029	6274	C00135	663790	154
homoserine	Homoserine	ME592053	12647	C00263	443878	218
hydroquinone	Hydroquinone	ME592074	785	C00530	422583	239
inositol-4-monophosphate	Inositol 4-phosphate	ME591954	440043	C03546	846510	315
isocitric acid	Isocitric acid	ME592068	5318532	C00451	616323	245
isoleucine	Isoleucine	ME592065	6306	C00407	359251	158
itaconic acid	Itaconic acid	ME592070	811	C00490	386511	147
lactose	Lactose	ME591974	84571	-	935458	191
leucine	Leucine	ME592028	6106	C00123	346101	158
levoglucosan	Glucosan	ME591990	2724705	-	569637	204
linoleic acid	Linoleic acid	ME591934	5280450	C01595	777414	150
linoleic acid methyl ester	-	ME591987	5284421	-	738308	93
linolenic acid	Octadecatrienoic acid	ME591965	5280934	C06427	780376	108
lysine	Lysine	ME592009	5962	C00047	663483	156
lyxitol	L-Arabitol	ME592075	439255	C00532	573587	217
lyxose	Lyxose	ME592069	439240	C00476	541086	217
maleic acid	Maleic acid	ME591931	444266	C01384	363611	245
malic acid	Malic acid	ME591915	525	C00711	463180	233
malonic acid	Malonic acid	ME592063	867	C00383	305372	233
maltose	Maltose	ME592045	439186	C00208	954710	204
maltotriose	Maltotriose	ME591910	439586	C01835	1176044	361
mannonic acid	Mannonic acid	ME592073	3246006	C00514	689527	333
melezitose	Melezitose	ME591913	92817	C08243	1146704	361
melibiose	Melibiose	ME591960	440658	C05402	988497	361
methanolphosphate	Methanolphosphate	ME591989	13130	-	289520	241
methionine	Methionine	ME592014	6137	C00073	483560	176
methylmaleic acid	Citraconic acid	ME591946	643798	C02226	418804	259
mucic acid	Galactaric acid	ME591923	3037582	C00879	709842	333
myristic acid	Myristic acid	ME591963	11005	C06424	634414	285
N-acetyl-D-galactosamine	N-Acetyl-D-galactosamine	ME591912	440552	C05021	720730	319
N-acetylmannosamine	N-Acetyl-mannosamine	ME592076	439281	C00645	735323	319
N-acetylputrescine	N-Acetylputrescine	ME591951	122356	C02714	595523	174
n-epsilon-trimethyllysine	N-6-Trimethyllysine	ME591986	440121	-	512366	118
nicotianamine	(R,S,S)-Nicotianamine	ME591956	9882882	C05324	898928	186
nicotinamide	Niacinamide	ME592033	936	C00153	471602	179
nicotinic acid	Nicotinic acid	ME592051	938	C00253	366992	180
norleucine	Norleucine	ME591942	21236	C01933	374120	158
O-acetylserine	O-Acetylserine	ME591926	99478	C00979	414914	174
octadecanol	Stearyl alcohol	ME591994	8221	-	755409	327
oleamide	Oleamide	ME591972	5283387	C19670	849710	144
ornithine	Ornithine	ME592015	6262	C00077	527113	142
oxoproline	Oxoproline	ME591939	7405	C01879	485935	156
palatinitol	1,2,3-Butanetriol	ME591981	88735	-	996670	204
palmitic acid	Palmitic acid	ME592050	985	C00249	713809	313
palmitoleic acid	Palmitoleic acid	ME591978	-	-	710215	311
panose	Panose	ME591996	-	-	1187262	204
pentitol	Arabitol	ME591914	827	D00061	561721	307
pentose	Galacturonic acid	ME591977	229	-	540818	103
phenylalanine	Phenylalanine	ME592017	6140	C00079	537804	218
phenylethylamine	Phenylethylamine	ME591957	1001	C05332	513300	174
phenylpyruvate	Phenylpyruvic acid	ME591982	-	-	517753	91
phosphate	Phosphoric acid	ME592001	1004	C00009	345365	314
phosphoethanolamine	Phosphoethanolamine	ME592059	1015	C00346	603912	299
pipecolinic acid	Pipecolic acid	ME591991	6931662	-	404121	156
proline	Proline	ME592031	145742	C00148	364523	142
pseudo uridine	Pseudouridine	ME591944	15047	C02067	813899	217
putrescine	Putrescine	ME592030	1045	C00138	588119	174
pyrophosphate	Pyrophosphate	ME592002	1023	C00013	326948	110
pyruvic acid	Pyruvic acid	ME592003	1060	C00022	213805	174
quinic acid	Quinic acid	ME592054	6508	C00296	632897	345
raffinose	Raffinose	ME592071	439242	C00492	1120886	361
ribonic acid	Ribonic acid	ME591936	5460677	C01685	599680	292
ribose	Ribose	ME591976	10975657	-	553071	217
ribulose-5-phosphate	Ribulose 5-phosphate	ME592044	439184	C00199	735908	357
saccharic acid	Glucaric acid	ME591921	33037	C00818	699211	333
salicylic acid	Salicylic acid	ME591919	338	C00805	480699	267
serine	Serine	ME592012	5951	C00065	395020	218
serotonin	Serotonin	ME591918	5202	C00780	863824	174
shikimic acid	Shikimic acid	ME592072	8742	C00493	611100	204
spermidine	Spermidine	ME592056	1102	C00315	792924	144
squalene	Squalene	ME591916	638072	C00751	976237	95
stearic acid	Stearic acid	ME591933	5281	C01530	787622	117
stigmasterol	Stigmasterol	ME591962	5280794	C05442	1110837	255
succinic acid	Succinic acid	ME592008	1110	C00042	370608	247
sucrose	Sucrose	ME592020	5988	C00089	912704	271
tartaric acid	Tartaric acid	ME591924	444305	C00898	534291	292
threonic acid	Threonic acid	ME591935	5460407	C01620	497572	292
threonine	Threonine	ME592041	6288	C00188	408777	218
tocopherol alpha-	alpha-Tocopherol	ME592061	638015	C00376	1067809	237
trehalose	Trehalose	ME591927	7427	C01083	948197	191
trisaccharide	Hexose trisaccharide	ME592067	871	C00420	1027144	361
tryptophan	Tryptophan	ME592016	6305	C00078	774603	130
tyrosine	Tyrosine	ME592018	6057	C00082	671252	218
UDP-glucuronic acid	UDP-glucuronic acid	ME592036	17473	C00167	587601	217
uracil	Uracil	ME592025	1174	C00106	385816	241
urea	Urea	ME592019	1176	C00086	329351	189
uric acid	Uric acid	ME592060	1175	C00366	730691	441
uridine	Uridine	ME592055	6029	C00299	856709	224
valine	Valine	ME592039	6287	C00183	313502	144
xylitol	Xylitol	ME592062	6912	C00379	567437	217
xylose	Xylose	ME592038	135191	C00181	544100	103

Analysis: HILIC POSITIVE ION MODE

Metabolite Name	RefMet Name/Standardized Name*	WorkBench Metabolite_ID	PubChem Compound_ID	Kegg Id	Retention time/index	m/z ratio
10-Hydroxy-2-decenoic acid	-	ME592132	-	-	1.2	133.1008_151.1114
1_15N2-L-Arginine iSTD	-	ME592104	-	-	6451924	ESI (+)
1,3,4,6-Tetra-O-acetyl-.beta.-D-mannopyranose	-	ME592098	-	-	8.4	109.0282
1,3-Benzenediol, 5-methyl-4-[(1R,6R)-3-methyl-6-(1...	-	ME592099	-	-	2.7	135.1165
1,4-Cyclohexanedione	-	ME592100	-	-	1	113.0595
1,5-Pentanediamine	Cadaverine	ME592101	-	-	7.1	86.0962
1,6-Anhydro-2,3-O-isopropylidene-.beta.-D-mannopyr...	-	ME592102	-	-	9.3	127.0387
1-.beta.-D-Arabinofuranosyluracil 5'-monophosphate	-	ME592103	-	-	9.1	369.0064
1_CUDA iSTD	-	ME592105	-	-	20312430	ESI (+)
1_D10-Isoleucine iSTD	-	ME592106	-	-	20378674	ESI (+)
1_D10-Leucine iSTD	-	ME592107	-	-	43160664	ESI (+)
1_D3-1-Methylnicotinamide iSTD	-	ME592108	-	-	268225904	ESI (+)
1_D3-AC(2:0) iSTD	-	ME592109	-	-	61678492	ESI (+)
1_D3-Aspartic Acid iSTD	-	ME592110	-	-	3321852	ESI (+)
1_D3-Creatine iSTD	-	ME592111	-	-	77982160	ESI (+)
1_D3-Creatinine iSTD	-	ME592112	-	-	347542240	ESI (+)
1_D3-DL-Alanine iSTD	-	ME592113	-	-	19306786	ESI (+)
1_D3-DL-Glutamic acid iSTD	-	ME592114	-	-	18052860	ESI (+)
1_D3-Histamine, N-methyl- iSTD	-	ME592115	-	-	4129051	ESI (+)
1_D3-L-Carnitine iSTD	-	ME592116	-	-	139970048	ESI (+)
1_D3-Serine iSTD	-	ME592117	-	-	6141169	ESI (+)
1_D4-Cystine iSTD	-	ME592118	-	-	1741027	ESI (+)
1_D5-Glutamic acid iSTD	-	ME592119	-	-	15113738	ESI (+)
1_D5-L-Glutamine iSTD	-	ME592120	-	-	14507217	ESI (+)
1_D5-Threonine iSTD	-	ME592121	-	-	4337174	ESI (+)
1_D7-Arginine iSTD	-	ME592122	-	-	17902142	ESI (+)
1_D7-Proline iSTD	-	ME592123	-	-	53751872	ESI (+)
1_D8-Phenylalanine iSTD	-	ME592124	-	-	12247054	ESI (+)
1_D8-Tryptophan iSTD	-	ME592125	-	-	3849507	ESI (+)
1_D9-Betaine iSTD	-	ME592126	-	-	348940640	ESI (+)
1_D9-Butyrobetaine iSTD	-	ME592127	-	-	250531232	ESI (+)
1_D9-Choline iSTD	-	ME592128	-	-	106542840	ESI (+)
1_D9-Crotonobetaine iSTD	-	ME592129	-	-	356256800	ESI (+)
1_D9-TMAO iSTD	-	ME592130	-	-	80877928	ESI (+)
1-Hexadecylamine	1-Hexadecylamine	ME592133	-	-	1.7	242.2838
1H-Imidazole, 1-[2-(4-methoxyphenyl)-2-[3-(4-metho...	-	ME592134	-	-	1.4	367.2085
1-Methylnicotinamide	1-Methyl nicotinamide	ME592135	-	-	6.1	137.0708
1-Methyltryptophan	1-Methyltryptophan	ME592136	-	-	6.3	219.1121
1-naphthylamine	1-Naphthylamine	ME592137	-	-	4.9	144.0804
1_Val-Tyr-Val iSTD	Val-Tyr-Val	ME592131	-	-	1908740	ESI (+)
2,4-Thiazolidinedione, 5-[[4-[2-(2-thienyl)ethoxy]...	-	ME592138	-	-	1	111.0261
2,6-Diaminopimelic acid	2,6-Diaminopimelic acid	ME592139	-	-	7.8	128.0704
2,6-Di-tert-butyl-4-hydroxymethylphenol	-	ME592140	-	-	1.6	219.1738
2-alpha-Mannobiose	-	ME592141	-	-	9.5	343.1228
2-Amino-1-phenylethanol	2-Hydroxyphenethylamine	ME592142	-	-	6.8	120.0806
2-Amino-2-methyl-1,3-propanediol	-	ME592143	-	-	6	106.086
2-Aminoadipic acid	alpha-Aminoadipic acid	ME592144	-	-	6.7	144.0652_162.0757
2'-Deoxyadenosine	Deoxyadenosine	ME592145	-	-	3.8	252.1087
2'-Deoxycytidine 5'-monophosphate	dCMP	ME592146	-	-	1.2	330.0417
2'-Deoxyguanosine	Deoxyguanosine	ME592147	-	-	6.4	268.1035
2-Hydroxy-5-nitrobenzyl alcohol	-	ME592148	-	-	8.7	170.042
2'-O-Methyladenosine	2'-O-Methyladenosine	ME592149	-	-	2.4	282.1194
2'-O-Methylguanosine	2'-O-Methylguanosine	ME592150	-	-	5.7	298.1142
(2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid	2-Oxindole-3-acetate	ME592083	-	-	1.8	192.0684
2-tert-Butyl-p-quinone	-	ME592151	-	-	4	137.0958
3,4-Dihydroxyphenylacetic acid	3,4-Dihydroxybenzeneacetic acid	ME592152	-	-	1.1	169.0492
3,4-Dihydroxyphenylalanine (DOPA)	-	ME592153	-	-	8.2	198.0733
(3,4-Dihydroxyphenyl)ethanol	-	ME592084	-	-	4.2	119.0489
3,4-Dimethylmethcathinone	-	ME592154	-	-	5	174.1292
3,7,4'-Trihydroxyflavone	-	ME592155	-	-	6.4	271.0593
3,7-Dihydroxy-3',4'-dimethoxyflavone	-	ME592156	-	-	1.1	315.0856
3.alpha.,4.beta.,3.alpha.-Galactotetraose	-	ME592157	-	-	9.7	689.2095
3.alpha.,4.beta.-Galactotriose	-	ME592158	-	-	9.2	527.1573
3.alpha.-Galactobiose	-	ME592159	-	-	8.4	347.094
3.alpha.-Mannobiose	-	ME592160	-	-	8.4	343.1227
(3-Carboxypropyl)trimethylammonium	-	ME592085	-	-	7.7	146.1172
3-Cyclopentene-1-octanoic acid, 2-(3-hydroxy-1-pen...	-	ME592161	-	-	1.1	291.1948
3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid	3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid	ME592162	-	-	9.1	313.05
3-Furancarboxylic acid, tetrahydro-4-methylene-2-o...	-	ME592163	-	-	1.1	237.1478
3'-Galactosyllactose	-	ME592164	-	-	8.4	509.1465
3-Hydroxy-4-methoxybenzyl alcohol	-	ME592165	-	-	1.4	137.0594
3-Hydroxy-6,3',4'-trimethoxyflavone	-	ME592166	-	-	1	329.1013
3-Methoxytyramine	3-Methoxytyramine	ME592167	-	-	5.3	151.075
3-Methylcytidine	3-Methylcytidine	ME592168	-	-	7	258.1081
3-Methylhippuric acid	-	ME592169	-	-	9.2	119.0529
3-Methylhistidine	3-Methylhistidine	ME592170	-	-	9.4	170.092
3-Methylthiopropylamine	3-Methylthiopropylamine	ME592171	-	-	5	106.0682
3-Pyridinecarboxaldehyde	3-Pyridinecarboxaldehyde	ME592172	-	-	1.7	108.0441
3-Pyridinemethanol	-	ME592173	-	-	1.4	110.0598
(3R)-4,4-Dimethyl-2-oxotetrahydro-3-furanyl beta-D...	-	ME592086	-	-	4	315.1045
4-(2-Hydroxyethyl)piperazine-1-ethanesulfonic acid	-	ME592174	-	-	7.9	239.1055
4,4-Dimethyl-L-glutamic acid	-	ME592176	-	-	8.2	176.0914
4',7-Dimethoxy-3-hydroxyflavone	-	ME592177	-	-	1	299.0908
4-Acetamidobutyric acid	4-Acetamidobutanoic acid	ME592178	-	-	2.1	146.0809
4-Aminobenzoic acid	p-Aminobenzoic acid	ME592179	-	-	7.3	138.0546
4-Guanidinobutyric acid	4-Guanidinobutanoic acid	ME592180	-	-	7.6	146.0921
4-Hydroxy-3-methoxyamphetamine	-	ME592181	-	-	5.1	182.1172
4-Hydroxyhippuric acid	4-Hydroxyhippuric acid	ME592182	-	-	2.2	196.0601
4-(Hydroxymethyl)-1-isopropyl-3-cyclohexen-1-yl be...	-	ME592175	-	-	2	355.1721
4-Ketopimelic acid	-	ME592183	-	-	4.4	129.0543
4'-Methoxypelargonidin	-	ME592184	-	-	1.1	285.0752
4-Methyl-5-thiazoleethanol	5-(2-Hydroxyethyl)-4-methylthiazole	ME592185	-	-	1.3	144.0475
4-Methylbenzyl alcohol	-	ME592186	-	-	1.3	105.0696
4-Pyridoxic acid	4-Pyridoxic acid	ME592187	-	-	4.3	184.0635
5,3'-Dihydroxy-6,7,4'-trimethoxyflavone	-	ME592188	-	-	1.1	345.0963
5-Amino-1-methyl-2-piperidinone	-	ME592189	-	-	1.2	112.0755
5-Androstene-3.beta.,17.beta.-diol	-	ME592190	-	-	1.4	159.1165
5-Hydroxy-2-methylpyridine	-	ME592191	-	-	1.3	110.0598
5-Methylcytidine	5-Methylcytidine	ME592192	-	-	6.4	258.1082
5-Methylcytosine	5-Methylcytosine	ME592193	-	-	5.9	126.0659
5'-S-Methyl-5'-thioadenosine	5'-Methylthioadenosine	ME592194	-	-	2.5	298.0963
6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-o...	-	ME592195	-	-	6.7	493.0969
6-Methyladenosine	N6-Methyladenosine	ME592196	-	-	7.3	282.1192
6''-O-Malonylgenistin	-	ME592197	-	-	7.4	519.1121
7-Methylguanosine	7-Methylguanosine	ME592198	-	-	7.4	298.1141
9(10)-Epoxy-12Z-octadecenoic acid	9(10)-EpOME	ME592199	-	-	1.1	297.2418
9-Oxo-10E,12Z,15Z-octadecatrienoic acid	-	ME592200	-	-	1.4	275.2
9-Oxo-10E,12Z-octadecadienoic acid	9-OxoODE	ME592201	-	-	1	277.2157
Abietic acid	Abietic acid	ME592202	-	-	1.1	123.1166_303.2317
(+)-Abscisic acid	Abscisic acid	ME592079	-	-	1.2	247.1324
Abscisic acid	Abscisic acid	ME592203	-	-	1.2	265.143
Acetylcarnitine	CAR 2:0	ME592205	-	-	7.1	204.1227
Acetyl coenzyme A	Acetyl-CoA	ME592204	-	-	1.4	303.1369
Acetyleugenol	-	ME592206	-	-	1.9	165.0907
Adenine	Adenine	ME592207	-	-	4.5	136.0615
Adenosine	Adenosine	ME592208	-	-	4.8	268.1035
Adenosine 5'-monophosphate	AMP	ME592209	-	-	9	348.0698_370.0515
Agmatine	Agmatine	ME592210	-	-	8.9	131.1289
Ala-Ala	Ala-Ala	ME592211	-	-	8.3	161.0917
Ala-Ile	Ala-Ile	ME592212	-	-	7.6	203.1387
Ala-Lys	Ala-Lys	ME592213	-	-	9.7	218.1493
Alanine	Alanine	ME592214	-	-	8	90.0548
Ala-Val-Arg	Ala-Val-Arg	ME592215	-	-	9.2	345.2238
Aleuritic acid	-	ME592216	-	-	1.4	269.2107_305.2318
Allantoic acid	Allantoic acid	ME592217	-	-	8.6	177.0614
Allicin	Allicin	ME592218	-	-	1	163.0242
.alpha.,.beta.-Trehalose	-	ME592089	-	-	9.2	360.1493
.alpha.-Guanidinoglutaric acid	alpha-Guanidinoglutaric acid	ME592090	-	-	8.7	102.0548
.alpha.-Ionone	alpha-Ionone	ME592091	-	-	5.1	175.1477
Apigenin 7-O-neohesperidoside	-	ME592219	-	-	7	579.1697
Apiin	Apiin	ME592220	-	-	5.8	433.1119
Arg-Ala	Arg-Ala	ME592221	-	-	9.6	246.1556
Arg-Gln	Arg-Gln	ME592222	-	-	9.8	303.1771
Arg-Gly	Arg-Gly	ME592223	-	-	9.8	232.1399
Arginine; [M+H]+; HCD (NCE 20-30-40%)	Arginine	ME592224	-	-	9.9	175.1186
Argininosuccinic acid	Argininosuccinic acid	ME592225	-	-	9.9	291.1295
Arg-Leu	Arg-Leu	ME592226	-	-	8.6	288.2025
Arg-Pro	Arg-Pro	ME592227	-	-	9.5	272.1712
Arg-Tyr	Arg-Tyr	ME592228	-	-	9.2	338.1818
Arg-Val	Arg-Val	ME592229	-	-	9	274.1867
Asn-Arg	Asn-Arg	ME592230	-	-	9.8	289.1613
Asparagine	Asparagine	ME592231	-	-	8.7	133.0604
Astragalin	-	ME592232	-	-	4.5	449.107
Benzyl alcohol	Benzyl alcohol	ME592233	-	-	1.3	91.0541
.beta.-Carboline-1-propionic acid	-	ME592092	-	-	8.1	263.0734
.beta.-Gentiobiose	beta-Gentiobiose	ME592093	-	-	9.1	325.1122_360.1494
Betaine	Betaine	ME592234	-	-	7.1	118.0859
.beta.-Sitosterol	Sitosterol	ME592094	-	-	1.2	397.382
Bisabolol oxide A	-	ME592235	-	-	1.1	221.1895
Caffeic acid	Caffeic acid	ME592236	-	-	6.7	181.0492
Caffeine	Caffeine	ME592237	-	-	1.2	195.0874
(+)-Camphor	Camphor	ME592080	-	-	6.2	153.127
Carnitine	Carnitine	ME592238	-	-	7.7	162.1121
Carnosine	Carnosine	ME592239	-	-	9.6	227.1132
(-)-Carveol	-	ME592077	-	-	1.1	135.1165
(-)-Caryophyllene oxide	Caryophyllene alpha-oxide	ME592078	-	-	0.9	203.1791
Castanospermine	Castanospermine	ME592240	-	-	2.6	190.1071
(+)-Catechin	Catechin	ME592081	-	-	2.1	291.0859_123.0471
Choline	Choline	ME592241	-	-	5	104.1066
Chromone-3-carboxylic acid	Chromone-3-carboxylic acid	ME592242	-	-	8.6	191.0398
Cinnamaldehyde	Cinnamaldehyde	ME592243	-	-	9.2	133.0605
cis-Jasmone	cis-Jasmone	ME592244	-	-	0.9	165.1271
Citric acid	Citric acid	ME592245	-	-	10	210.0605
Citrulline	Citrulline	ME592246	-	-	8.8	176.1026
Coniferyl alcohol	Coniferyl alcohol	ME592247	-	-	2	131.0489
Creatine	Creatine	ME592248	-	-	8	132.0765
Creatinine	Creatinine	ME592249	-	-	4.7	114.0659
Curcumol	-	ME592250	-	-	1	219.1739
Cystine	Cystine	ME592251	-	-	9.9	241.0307
Cytidine	Cytidine	ME592252	-	-	6.8	244.0923
Cytidine-5'-monophosphate	CMP	ME592253	-	-	9.5	324.0583
Cytosine	Cytosine	ME592254	-	-	6.8	112.0503
D-2-Aminoadipic acid	-	ME592256	-	-	8.4	162.0757
.delta.-Octalactone	-	ME592095	-	-	1.1	143.1064
D-erythro-Imidazolylglycerol phosphate	-	ME592257	-	-	4.5	111.055
D-Fructose 6-phosphate	Fructose 6-phosphate	ME592258	-	-	9.5	283.0186
D-Glucosamine	Glucosamine	ME592259	-	-	8.8	162.0757
D-Glucose 6-phosphate	Glucose 6-phosphate	ME592260	-	-	9.7	243.026_283.0184
Dicyclohexylamine	N,N-Dicyclohexylamine	ME592261	-	-	2.4	182.1899
Digalacturonic acid	Digalacturonic acid	ME592262	-	-	10.2	388.1078_393.0633
(+)-Dihydrocervone	-	ME592082	-	-	3.5	153.127
Dikegulac acid	-	ME592263	-	-	6.3	275.1097
Dimethyl succinate	Dimethyl succinate	ME592264	-	-	4.4	115.0388
DL-2-Methylglutamic acid	N-Methyl-glutamic acid	ME592267	-	-	8	144.0652
DL-.alpha.-Aminopimelic acid	-	ME592265	-	-	8	176.0913
DL-Arginine	Arginine	ME592268	-	-	9.5	130.0972
DL-.beta.-Homoleucine	-	ME592266	-	-	2.7	146.1172
DL-Lanthionine	-	ME592269	-	-	7.7	120.0111
DL-Octopamine	-	ME592270	-	-	6.2	136.0755
DL-Ornithine	Ornithine	ME592271	-	-	9.6	116.0704
DL-Phenylalanine	Phenylalanine	ME592272	-	-	8.1	166.0859
D-Mannosamine	2-Amino-2-deoxy-D-mannose	ME592273	-	-	8.6	162.0757
D-myo-Inositol-1-phosphate	-	ME592274	-	-	10.1	261.0367
D-Psicose	Psicose	ME592275	-	-	9.2	127.0387
D-Pyroglutamic acid	-	ME592276	-	-	9.2	130.0496
D-Sorbitol	Sorbitol	ME592277	-	-	7.7	183.086
D-(+)-Trehalose	Trehalose	ME592255	-	-	8.4	360.1491
D-Turanose	-	ME592278	-	-	8.2	325.1121_360.1491
D-Xylulose	L-Ribulose	ME592279	-	-	8.4	115.0387
Eleutheroside B	Syringin	ME592280	-	-	4.1	395.1304
Ergothioneine	Ergothioneine	ME592281	-	-	7.8	230.0954
Erlose	Erlose	ME592282	-	-	9.4	543.131_527.1572
Erythrodiol	-	ME592283	-	-	1	413.3771
Ethanolamine	Ethanolamine	ME592284	-	-	7.2	62.0601
Ethyl 4-hydroxyquinoline-2-carboxylate	-	ME592285	-	-	6.9	218.0761
Farnesal	-	ME592286	-	-	2.7	203.1789
Feruloylputrescine	Subaphylline	ME592287	-	-	5.9	265.1543
Galactinol	Galactinol	ME592288	-	-	9.7	343.1229
Galactosamine	Galactosamine	ME592289	-	-	8.4	180.0862
.gamma.-Aminobutyric acid	gamma-Aminobutyric acid	ME592096	-	-	7.8	86.0599_104.0704
gamma-Glutamylleucine	gamma-Glutamylleucine	ME592290	-	-	8	261.1441
gamma-Glutamylmethionine	gamma-Glutamylmethionine	ME592291	-	-	8.4	279.1004
.gamma.-Glutamyl-(S)-allyl-L-cysteine	-	ME592097	-	-	8.2	162.058_291.1002
gamma-Glutamyltyrosine	gamma-Glutamyltyrosine	ME592292	-	-	8.6	311.1231
Geranic acid	Geranic acid	ME592293	-	-	1	169.122
Geraniol	Methyl geranate	ME592294	-	-	5.1	137.1322
Ginkgotoxin	Ginkgotoxin	ME592295	-	-	1.9	152.0703
Glabridin	-	ME592296	-	-	7.7	189.094
Gln-Ala	Gln-Ala	ME592297	-	-	8.7	218.1131
Gln-Arg	Gln-Arg	ME592298	-	-	9.8	303.177
Gln-Gln	Gln-Gln	ME592299	-	-	8.4	275.1344
Gln-Leu-Arg	Gln-Leu-Arg	ME592300	-	-	9.1	416.2607
Glucose 1-phosphate	Glucose 1-phosphate	ME592301	-	-	9.7	283.0184_261.0367
Glucose-6-phosphate	Glucose 6-phosphate	ME592302	-	-	9.8	261.0367
Glu-Gly-Arg	Glu-Gly-Arg	ME592303	-	-	8.7	361.1821
Glu-Phe	Glu-Phe	ME592304	-	-	8.1	295.1282
Glu-Phe-Arg	Glu-Phe-Arg	ME592305	-	-	8.8	451.2289
Glutamic acid	Glutamic acid	ME592306	-	-	8.7	148.06
Glutamine	Glutamine	ME592307	-	-	8.5	147.076
Glutathione (reduced)	Glutathione	ME592308	-	-	9	308.0905
Glu-Thr	Glu-Thr	ME592309	-	-	9.3	249.1076
Gly-Ala-Lys	Gly-Ala-Lys	ME592310	-	-	9.7	275.1707
Gly-Arg	Gly-Arg	ME592311	-	-	9.7	232.14
Glycine	Glycine	ME592312	-	-	8.3	76.0392
Glycyl-L-4-hydroxyproline	-	ME592313	-	-	8.7	189.0866
Gly-Glu-Lys	Gly-Glu-Lys	ME592314	-	-	8.8	333.1762
Gly-Leu-Arg	Gly-Leu-Arg	ME592315	-	-	8.9	345.2238
Guanine	Guanine	ME592316	-	-	7.1	152.0564
Guanosine	Guanosine	ME592317	-	-	7.1	284.0984
H-gamma-glutamyl-glutamine	gamma-Glutamylglutamine	ME592318	-	-	9.6	276.1186
His-Pro	His-Pro	ME592319	-	-	5.8	235.1185
Histamine	Histamine	ME592320	-	-	8.1	112.0867
Histidine	Histidine	ME592321	-	-	9.4	156.0764
His-Val	His-Val	ME592322	-	-	8.6	255.1447
Homoarginine	Homoarginine	ME592323	-	-	9.3	189.1342
Hypoxanthine	Hypoxanthine	ME592324	-	-	6.2	137.0455
Iberin	-	ME592325	-	-	2.2	105.0367
Ile-Arg	Ile-Arg	ME592326	-	-	8.9	288.2025
Ile-Ile	Ile-Ile	ME592327	-	-	6	245.1855
Indole-3-carboxaldehyde	1H-Indole-3-carboxaldehyde	ME592328	-	-	1.1	146.0597
Indole-3-pyruvic acid	Indolepyruvate	ME592329	-	-	5.8	204.0651
Inosine	Inosine	ME592330	-	-	6.2	291.0695
Isoeugenyl acetate	-	ME592331	-	-	0.9	189.0906
Isoleucine	Isoleucine	ME592332	-	-	7.1	132.1016
Isovaleryl-L-carnitine	CAR 4:0;3Me	ME592333	-	-	5.3	246.1695
Kaempferol-3-O-rutinoside	Kaempferol-3-O-rutinoside	ME592334	-	-	6.1	595.1646
Kaempferol-7-O-neohesperidoside	Kaempferol-7-O-neohesperidoside	ME592335	-	-	6.1	617.1459
Lactitol	Lactitol	ME592338	-	-	8.6	367.1201
L-(.+/-.)-Alliin	-	ME592336	-	-	7.7	178.0528_200.0348
L-Asparagine	Asparagine	ME592339	-	-	8.7	116.034
L-Aspartic acid	Aspartic acid	ME592340	-	-	9.2	134.0445_116.034
L-beta-Homothreonine	-	ME592341	-	-	7.8	134.0809
L-Citrulline	Citrulline	ME592342	-	-	8.8	176.1027_159.0761
Leu-Arg	Leu-Arg	ME592343	-	-	8.8	288.2024
Leu-Phe	Leu-Phe	ME592344	-	-	6.2	279.1698
L-.gamma.-Glutamyl-L-glutamic acid	gamma-Glutamylglutamic acid	ME592337	-	-	9.4	277.1027
L-Glutamic acid	Glutamic acid	ME592345	-	-	9.2	148.0601
L-Glutamic acid, dimethyl ester	-	ME592346	-	-	5.9	144.0652
L-Glutamine	Glutamine	ME592347	-	-	8.5	130.0496
L-Histidine	Histidine	ME592348	-	-	9.3	156.0765
L-Histidinol	L-Histidinol	ME592349	-	-	8.3	142.0972
Linalool oxide	-	ME592350	-	-	2	153.1271
Linamarin	Linamarin	ME592351	-	-	8.5	248.1125
L-Leucyl-L-leucine methyl ester	-	ME592352	-	-	6.5	146.1172
L-Methionine	Methionine	ME592353	-	-	7.3	133.0314
L-NG-Monomethylarginine	-	ME592354	-	-	4.9	144.1128
L-Saccharopine	Saccharopine	ME592355	-	-	9.8	277.1389
L-Tryptophan	Tryptophan	ME592356	-	-	6.8	188.0703
Luteolin	Luteolin	ME592357	-	-	4.9	287.0546
Luteolin 7-glucoside	-	ME592358	-	-	4.8	471.089
Lys-Ala	Lys-Ala	ME592359	-	-	9.6	218.1494
Lys-Gln	Lys-Gln	ME592360	-	-	9.8	275.1707
Lys-Gly	Lys-Gly	ME592361	-	-	9.8	204.1338
Lysine	Lysine	ME592362	-	-	9.5	147.1125
Lys-Leu	Lys-Leu	ME592363	-	-	8.8	260.1965
Lys-Val	Lys-Val	ME592364	-	-	9.2	246.1807
Maltitol	Maltitol	ME592365	-	-	9	367.1203
Maltotriose	Maltotriose	ME592366	-	-	9.6	505.1755_527.1573
Melezitose	Melezitose	ME592367	-	-	9.3	527.157
Melibiose	Melibiose	ME592368	-	-	9.7	360.1494
Met-Arg	Met-Arg	ME592369	-	-	9.1	306.159
Methacholine	Methacholine	ME592370	-	-	6.6	160.1329
Methionine	Methionine	ME592371	-	-	7.3	150.058
Methionine sulfoxide	Methionine sulfoxide	ME592372	-	-	8.5	188.0348
Methioninesulfoxide A	-	ME592373	-	-	8.5	166.0529
Mevalonic acid	Mevalonic acid	ME592374	-	-	4	131.07
Monolinolenin (9c,12c,15c)	-	ME592375	-	-	1.6	353.2679_335.2573
N-2-Hydroxycyclopentyladenosine	-	ME592383	-	-	3.1	352.1611
N2,N2-Dimethylguanosine	N2,N2-Dimethylguanosine	ME592382	-	-	5.5	312.1296
N-3-Hydroxydecanoyl-L-homoserine lactone	-	ME592384	-	-	2.2	102.0547
N6-Isopentenyladenosine	N6-Isopentenyladenosine	ME592385	-	-	1.4	336.1646
N8-Acetylspermidine	N8-Acetylspermidine	ME592386	-	-	8.8	188.1754
N-Acetyl-D-galactosaminitol	N-Acetyl-D-galactosaminitol	ME592388	-	-	8.2	206.102
N-Acetyl-D-glucosamine	N-Acetyl-D-glucosamine	ME592389	-	-	7.3	244.0788
N-Acetyl-D-lactosamine	N-Acetyllactosamine	ME592390	-	-	8.4	204.0862
N-Acetyl-DL-valine	-	ME592391	-	-	6.6	160.0965
N-Acetylhistidine	N-Acetylhistidine	ME592392	-	-	8	198.087
N-Acetylneuraminic acid	N-Acetylneuraminic acid	ME592393	-	-	9.3	310.1128
N-acetyl putrescine	N-Acetylputrescine	ME592387	-	-	6.8	131.1176
N-.alpha.-Acetyl-L-arginine	N-Acetylarginine	ME592378	-	-	8	217.1291
N-.alpha.-Acetyl-L-ornithine	N-Acetylornithine	ME592379	-	-	9	115.0864_175.1073
N.alpha.-Methyl-L-lysine	N(2)-Methyl-lysine	ME592380	-	-	6.9	144.1015
N-.alpha.-(tert-Butoxycarbonyl)-L-histidine	-	ME592377	-	-	9.4	110.071
N-Carboxyethyl-.gamma.-aminobutyric acid	N-Carboxyethyl-gamma-aminobutyric acid	ME592394	-	-	8.1	176.0914
N-epsilon-Acetyllysine	N6-Acetyllysine	ME592395	-	-	8	189.123
N.epsilon.-Methyl-L-lysine	N(6)-Methyllysine	ME592381	-	-	9.3	161.1281
Nicotinamide	Niacinamide	ME592396	-	-	1.6	123.055
Nicotinamide riboside	Nicotinamide riboside	ME592397	-	-	7.4	123.055_255.097
Nicotinic acid	Nicotinic acid	ME592398	-	-	4	124.0391
Nipecotic acid	-	ME592399	-	-	2.1	130.086
N-Methylalanine	N-Methylalanine	ME592400	-	-	7.7	104.0703
N-Methylanthranilic acid	2-(Methylamino)benzoic acid	ME592401	-	-	1.1	152.0703
N-Methylglutamic acid	N-Methyl-glutamic acid	ME592402	-	-	8.2	162.0758
N-Methyl-L-proline	N-Methyl-proline	ME592403	-	-	9.5	130.086
N-Methyl-L-threonine	-	ME592404	-	-	2.1	134.0808
N-Methyllysine	N(6)-Methyllysine	ME592405	-	-	9.2	161.1281
N-Methylphenylalanine	-	ME592406	-	-	6.1	180.1016
N-Methylproline	N-Methyl-proline	ME592407	-	-	7.1	130.0859
N-Methyltryptamine	N-Methyltryptamine	ME592408	-	-	4.7	144.0805
N-Methylvaline	N-Methyl-valine	ME592409	-	-	6.9	132.1016
N,N-Dimethylarginine	Dimethylarginine	ME592376	-	-	8.9	203.1499
N-omega-Acetylhistamine	N-Acetylglutamine	ME592410	-	-	5.9	154.0971
N-Tetradecanoyl-DL-homoserine lactone	-	ME592411	-	-	9.4	102.0547
Oleamide	Oleamide	ME592412	-	-	1	282.2786
O-Methyl-L-threonine	-	ME592413	-	-	8.3	134.0809
Ornithine	Ornithine	ME592414	-	-	9.6	133.0969
Palatinose	Palatinose	ME592415	-	-	9.2	289.0914
Pantothenic acid	Pantothenic acid	ME592416	-	-	3.4	220.1175
p-Coumaric acid	cis-p-Coumaric acid	ME592417	-	-	3.6	165.0543
Pelargonidin	Pelargonidin	ME592418	-	-	5.8	289.0701
Phe-Arg	Phe-Arg	ME592419	-	-	8.7	322.1866
Phe-Lys	Phe-Lys	ME592420	-	-	8.8	294.1807
Phenylacetaldehyde	Phenylacetaldehyde	ME592421	-	-	5.3	121.0646
Phenylacetaldehyde isomer a	Phenylacetaldehyde	ME592422	-	-	5.5	103.054
Phenylacetaldehyde isomer b	Phenylacetaldehyde	ME592423	-	-	5.5	121.0645
Phenylalanine	Phenylalanine	ME592424	-	-	6.8	166.0859
Phenylethanolamine B	-	ME592425	-	-	5.5	138.0911
Pheophorbide a	Pheophorbide a	ME592426	-	-	1.1	593.2745
Phloretin	Phloretin	ME592427	-	-	6	275.0909
Phytosphingosine	Phytosphingosine	ME592428	-	-	5.1	318.2997
Pipecolic acid	Pipecolic acid	ME592429	-	-	7.7	130.086
Pro-Glu	Pro-Glu	ME592430	-	-	6.9	245.1145
Pro-Leu-Lys	Pro-Leu-Lys	ME592431	-	-	9.1	357.2491
Proline	Proline	ME592432	-	-	7.7	116.0704
Proline-hydroxyproline	Pro-hydroxyPro	ME592433	-	-	8.6	229.1178
Propanoic acid, 2-(1H-benzimidazol-2-ylthio)-, 2-[...	-	ME592434	-	-	1.2	205.0492
Propionylcarnitine	CAR 3:0	ME592435	-	-	6.3	218.1382
Putrescine	Putrescine	ME592436	-	-	9.2	89.1071
Pyridoxal phosphate	Pyridoxal 5'-phosphate	ME592437	-	-	2	150.0546
Pyridoxamine	Pyridoxamine	ME592438	-	-	9.5	169.0944
Pyridoxine	Pyridoxine	ME592439	-	-	3.5	170.0808
PyroGlu-Pro	-	ME592440	-	-	8.5	227.0998
Pyroglutamic acid	Pyroglutamic acid	ME592441	-	-	8.7	130.0496
Quercetin-3,7,3',4'-tetramethyl ether	-	ME592442	-	-	1	359.1118
(R)-Butyrylcarnitine	CAR 4:0	ME592087	-	-	5.7	232.1539
Retinoic acid	Retinoic acid	ME592443	-	-	1	301.2159
roseoside	-	ME592444	-	-	3.6	387.2005
S-Adenosyl-homocysteine	S-Adenosylhomocysteine	ME592445	-	-	8.7	385.1279
S-Adenosyl-L-methionine	S-Adenosylmethionine	ME592446	-	-	9.9	399.1436
S-Allyl-L-Cysteine	S-Allylcysteine	ME592447	-	-	8.2	162.0579
(S)-(-)-.alpha.-Methylbenzylamine	-	ME592088	-	-	4.5	105.0697
Sedanolide	-	ME592448	-	-	1.4	149.1321
Ser-Arg	Ser-Arg	ME592449	-	-	9.8	262.1506
Serine	Serine	ME592450	-	-	8.6	106.0496
Shikimic acid	Shikimic acid	ME592451	-	-	1.4	121.0316
Sinapyl alcohol	Sinapyl alcohol	ME592452	-	-	4.4	193.0856
S-Methyl-L-cysteine	Methylcysteine	ME592453	-	-	8.8	119.0159
Stachyose	Stachyose	ME592454	-	-	10	689.2094
Stearidonic acid	Stearidonic acid	ME592455	-	-	1	259.2053
Sucrose	Sucrose	ME592456	-	-	8.8	365.1047_307.1017
Swainsonine	-	ME592457	-	-	6.3	174.1122
Targinine	Targinine	ME592458	-	-	9.2	189.1342
Tetradonium	-	ME592459	-	-	1.6	256.2994
Thiamine	Thiamine	ME592460	-	-	6.7	265.1113
Thr-Ala	Thr-Ala	ME592461	-	-	8.5	191.1022
Thr-Arg	Thr-Arg	ME592462	-	-	9.7	276.1662
Threonine	Threonine	ME592463	-	-	8.2	120.0653
Thymol	Thymol	ME592464	-	-	1.4	151.1114
Tiliroside	-	ME592465	-	-	3.1	595.1431
trans-3,5-Dimethoxy-4-hydroxycinnamaldehyde	Sinapoyl aldehyde	ME592466	-	-	2.6	209.0804
trans-4-Hydroxy-L-proline	trans-4-Hydroxyproline	ME592467	-	-	4	132.0652
trans-Ferulic acid	trans-Ferulic acid	ME592468	-	-	6.7	177.0542
trans-Traumatic acid	Traumatic acid	ME592469	-	-	5.3	193.122
Tributylamine	Tributylamine	ME592471	-	-	1.7	186.2213
Triethanolamine	Triethanolamine	ME592472	-	-	6.5	150.1122
Tri(ethylene glycol) monoethyl ether	-	ME592470	-	-	1.2	179.1274
Triethyl phosphate	Triethyl phosphate	ME592473	-	-	1	183.0777
Tripropylamine	-	ME592474	-	-	2	144.1743
Tris(hydroxymethyl)aminomethane	2-Amino-2-methylol-propane-1,3-diol	ME592475	-	-	7.8	122.0809
Tryptamine	Tryptamine	ME592476	-	-	4.8	161.1069
Tryptophan	Tryptophan	ME592477	-	-	6.8	205.0969
Tyr-Lys	Tyr-Lys	ME592478	-	-	9.2	310.1754
Tyrosine	Tyrosine	ME592479	-	-	7.6	182.0809
Uracil	Uracil	ME592480	-	-	4.8	113.0343
Uridine	Uridine	ME592481	-	-	4.8	267.0585
Uridine 5'-monophosphate	UMP	ME592482	-	-	9.1	347.0244_325.0425
Val-Arg	Val-Arg	ME592483	-	-	9.2	274.1869
Valerenic acid	-	ME592484	-	-	1.7	235.1688
Val-Gln	Val-Gln	ME592485	-	-	8.4	246.1444
Val-Lys	Val-Lys	ME592486	-	-	9.3	246.1808

Analysis: HILIC NEGATIVE ION MODE

Metabolite Name	RefMet Name/Standardized Name*	WorkBench Metabolite_ID	PubChem Compound_ID	Kegg Id	Retention time/index	m/z ratio
1_15N2-L-Arginine iSTD	-	ME592767	-	-	9.5	175.0975
1,3-Cyclohexanedicarboxylic acid	-	ME592711	-	-	1.3	171.0653
1,3 Cyclohexanedione	Cyclohexane-1,3-dione	ME592519	-	-	1.4	111.0439
1,5-Anhydro-D-sorbitol	1,5-Anhydrosorbitol	ME592585	-	-	4.1	163.0602
1,6-Anhydro-.beta.-D-glucose	Glucosan	ME592672	-	-	8	101.0231_161.0445
16-Hydroxyhexadecanoic acid	Juniperic acid	ME592674	-	-	1.2	271.2278
1,7-Dimethyluric acid	1,7-Dimethyluric acid	ME592596	-	-	4.1	195.0515
1_CUDA Istd	-	ME592753	-	-	1.2	339.265
1_D10-Isoleucine iSTD	-	ME592758	-	-	7.1	140.1489
1_D10-Leucine iSTD	-	ME592757	-	-	6.9	140.1489
1_D2-Ornithine iSTD	-	ME592770	-	-	259693	ESI (-)
1_D3-DL-Alanine iSTD	-	ME592759	-	-	8	91.0579
1_D3-DL-Aspartic acid iSTD	-	ME592765	-	-	9.3	135.0478
1_D3-DL-Glutamic acid iSTD	-	ME592763	-	-	8.7	149.0636
1_D3-Serine iSTD	-	ME592762	-	-	8.6	107.0528
1_D5-Glutamic acid iSTD	-	ME592764	-	-	8.9	151.0762
1_D5-Histidine iSTD	-	ME592766	-	-	9.4	159.0924
1_D5-L-Glutamine iSTD	-	ME592761	-	-	8.5	150.092
1_D5-Threonine iSTD	-	ME592760	-	-	8.3	123.0811
1_D7-Arginine iSTD	-	ME592768	-	-	9.5	180.1474
1_D8-Lysine iSTD	-	ME592769	-	-	9.5	153.1473
1_D8-Phenylalanine iSTD	-	ME592756	-	-	6.8	172.1209
1_D8-Tryptophan iSTD	-	ME592754	-	-	6.8	211.1322
1-Kestose	1-Kestose	ME592683	-	-	9.4	549.1675
1-Pentanone, 1-(4-hydroxy-3-methoxyphenyl)-2-(1-py...	-	ME592577	-	-	1	276.1602
1_Val-Tyr-Val iSTD	Val-Tyr-Val	ME592755	-	-	6.8	378.2031
2,4-Dichlorobenzoic acid	2,4-Dichlorobenzoic acid	ME592531	-	-	1.4	188.9507
2,6-Dihydroxybenzoic acid	2,6-Dihydroxybenzoic acid	ME592507	-	-	1.1	153.0182
2-alpha-Mannobiose	-	ME592518	-	-	8.8	341.1089
2-Amino-3-methoxybenzoic acid	3-Methoxyanthranilic acid	ME592668	-	-	1.2	166.05
2-Chloro-N6-cyclopentyladenosine	-	ME592720	-	-	1.4	368.1147
2-Deoxyuridine	Deoxyuridine	ME592592	-	-	2.9	227.0669
2-Furanpropanoic acid, 3-carboxy-4-methyl-5-propyl...	-	ME592703	-	-	2.2	239.0921
2-Hydroxy-4-methylpentanoic acid	Leucinic acid	ME592581	-	-	1.7	131.0701
2-Hydroxybenzaldehyde	2-Hydroxybenzaldehyde	ME592661	-	-	1.1	121.0282
2-Hydroxycinnamic acid	trans-o-Coumaric acid	ME592621	-	-	5.7	163.039
2-Hydroxyphenylacetic acid	2-Hydroxyphenylacetic acid	ME592640	-	-	1.4	151.0392
2-Isopropylmalic acid	2-Isopropylmalic acid	ME592595	-	-	8.8	175.0602
2-Ketogluconic acid	-	ME592684	-	-	8.4	193.0345
2-Methylglutaric acid	2-Methylglutaric acid	ME592524	-	-	2.2	145.0495
2'-O-Methylguanosine	2'-O-Methylguanosine	ME592615	-	-	5.7	296.0998
2'-O-Methyluridine	2'-O-Methyluridine	ME592669	-	-	2.1	257.0779
3-(3-Hydroxyphenyl)propionic acid	3-(3-Hydroxyphenyl)propanoic acid	ME592636	-	-	1.4	165.0547
(3,4-Dihydroxyphenyl)ethanol	-	ME592555	-	-	1.4	153.0546
3-Aminosalicylic acid	3-Aminosalicylic acid	ME592542	-	-	1.2	108.0442
3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid	3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid	ME592699	-	-	9	267.0721
3-Hydroxybutyric acid	3-Hydroxybutyric acid	ME592700	-	-	1.8	103.0387
3-Hydroxyglutaric acid	3-Hydroxyglutaric acid	ME592738	-	-	7.7	147.0287
3-Hydroxyphenylacetic acid	3-Hydroxyphenylacetic acid	ME592504	-	-	1.1	151.0389
3-Hydroxyvaleric acid	3-Hydroxyvaleric acid	ME592639	-	-	2	117.0544
3-Indoleacetic acid	Indoleacetic acid	ME592659	-	-	1.2	174.0551
3-Isochromanone	3-Isochromanone	ME592536	-	-	1.8	147.0459
3-Methyl-2-oxovaleric acid	3-Methyl-2-oxovaleric acid	ME592557	-	-	2.5	129.0545
3-Methylglutaric acid	Methylglutaric acid	ME592716	-	-	2.2	145.0495
3-Methylhistidine	3-Methylhistidine	ME592545	-	-	9.4	168.0768
3-Oxopentanoic acid	3-Ketovaleric acid	ME592499	-	-	1.7	115.0388
4-Hydroxy-3-methoxymandelic acid	-	ME592677	-	-	4.5	197.042
4-Hydroxy-6-methyl-2-pyrone	-	ME592599	-	-	1.4	125.0232
4-Hydroxyhippuric acid	4-Hydroxyhippuric acid	ME592734	-	-	5.8	194.0451
4-Hydroxyphenyllactic acid	4-Hydroxyphenyllactic acid	ME592556	-	-	3.9	181.0497
4-Hydroxyphenylpyruvic acid	4-Hydroxyphenylpyruvic acid	ME592563	-	-	1.1	179.0341
4-Methylcatechol	4-Methylcatechol	ME592728	-	-	1.2	123.0439
4-Methylumbelliferone	4-Methylumbelliferone	ME592527	-	-	1.2	175.0389
4-Pyridoxic acid	4-Pyridoxic acid	ME592528	-	-	2.5	182.045
4-Vinylphenol;	4-Hydroxystyrene	ME592502	-	-	1.4	119.049
5,3'-Dihydroxy-6,7,4'-trimethoxyflavone	-	ME592565	-	-	1.1	343.0822
5.alpha.-Pregnan-3.alpha.,17-diol-20-one 3-sulfate	-	ME592586	-	-	1.4	413.2004
5-Hydroxymethyluridine	5-Hydroxymethyluridine	ME592690	-	-	6.2	273.0747
6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-o...	-	ME592695	-	-	6.7	491.0831
6,7-Dihydroxycoumarin	-	ME592535	-	-	1.4	177.0184
6.alpha.-Mannobiose	-	ME592561	-	-	8.4	455.1016
6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucop...	-	ME592662	-	-	5.6	461.1665
(.+/-.)7-epi-Jasmonic acid	-	ME592735	-	-	1.1	209.1177
7-Hydroxy-3-(4-hydroxyphenyl)-4-methylcoumarin	-	ME592602	-	-	1.2	267.0662_327.0872
9-Hydroperoxy-10E,12Z,15Z-octadecatrienoic acid	-	ME592656	-	-	1.1	309.207
9S-Hydroperoxy-10E,12Z-octadecadienoic acid	9S-HpODE	ME592548	-	-	1.1	293.2121
Abietic acid?	Abietic acid	ME592652	-	-	1	301.2173
(+)-Abscisic acid	Abscisic acid	ME592551	-	-	1.2	153.0909
Abscisic acid	Abscisic acid	ME592552	-	-	1.2	263.1287
Acetic acid, 2,2'-[oxybis(2,1-ethanediyloxy)]bis-	-	ME592520	-	-	8	119.0337
Aconitic acid	cis-Aconitic acid	ME592511	-	-	7.7	173.0082
Adenosine	Adenosine	ME592610	-	-	4.8	266.0894_302.0661
Adenosine 5'-monophosphate	AMP	ME592673	-	-	9	346.0556
Ala-Ala	Ala-Ala	ME592745	-	-	8.3	159.0764
Ala-Leu	Ala-Leu	ME592638	-	-	7.6	201.1237
Alanine	Alanine	ME592634	-	-	8	88.0391
Allantoic acid	Allantoic acid	ME592601	-	-	8.6	132.0403
Allantoin	Allantoin	ME592622	-	-	5.6	157.0356_193.0126
.alpha.-Guanidinoglutaric acid	alpha-Guanidinoglutaric acid	ME592645	-	-	8.9	146.0448
.alpha.-L-Glu-L-Asp	Glu-Asp	ME592506	-	-	7.9	261.0727
Arabitol	Arabitol	ME592517	-	-	6.9	151.0601
Arginine	Arginine	ME592608	-	-	9.5	173.1033
Ascorbic acid	Vitamin C	ME592686	-	-	8.7	175.0238
Asparagine	Asparagine	ME592744	-	-	8.7	131.045
Aspartic acid	Aspartic acid	ME592694	-	-	9.2	132.029
.beta.-Gentiobiose	beta-Gentiobiose	ME592750	-	-	5.7	221.0662_257.0432
beta-Hydroxymyristic acid	3-Hydroxytetradecanoic acid	ME592541	-	-	1.1	243.1962
Caftaric acid	-	ME592667	-	-	9.9	149.0079
(+)-Catechin	Catechin	ME592618	-	-	2.3	289.0717
Caulophyllogenin	-	ME592493	-	-	1.4	487.3427
Cellobiose A	-	ME592513	-	-	8.6	341.1088
Chlorogenic acid	Chlorogenic acid	ME592740	-	-	7	353.0879
Cinnamic acid	trans-Cinnamic acid	ME592697	-	-	1.2	147.044
Citramalic acid	Citramalic acid	ME592713	-	-	9.5	147.0287
Citric acid	Citric acid	ME592567	-	-	9.3	191.0188
Citrulline	Citrulline	ME592644	-	-	8.8	174.0874
Coniferylaldehyde	Coniferyl aldehyde	ME592748	-	-	1.1	177.0548
Cyanidin-3-glucoside	-	ME592646	-	-	4.5	447.0931
Cyanidin-3-O-(2''-O-beta-xylopyranosyl-beta-glucop...	-	ME592737	-	-	6.1	579.1357
Cystine	Cystine	ME592575	-	-	9.9	239.0162
Cytidine	Cytidine	ME592676	-	-	6.8	242.0779
Cytidine-5'-monophosphate	CMP	ME592532	-	-	9.5	322.0443
Dehydroascorbic acid;	L-Dehydroascorbic acid	ME592658	-	-	4.3	112.9867_173.0081
Dehydro-L-(+)-ascorbic acid dimer	-	ME592591	-	-	4.3	142.9974_173.0082_347.0254
D-Gluconic acid	Gluconic acid	ME592643	-	-	10.8	195.0502
Digalacturonic acid	Digalacturonic acid	ME592534	-	-	10.2	369.0672
Dihydro-4,4-dimethyl-2,3-furandione	2-Dehydropantolactone	ME592525	-	-	1.4	127.0389
Dihydrodaidzein	Dihydrodaidzein	ME592549	-	-	2	149.0233
Dihydroisoferulic acid	-	ME592739	-	-	1.2	195.065
DL-Isocitric acid lactone	-	ME592679	-	-	7.9	173.0082
D-Lyxose	Lyxose	ME592627	-	-	7.5	89.0230_149.0444
D-Psicose	Psicose	ME592580	-	-	7.6	101.0231_161.0445_215.0321
D-Pyroglutamic acid	-	ME592606	-	-	7.7	128.0341
D-(+)-Raffinose	Raffinose	ME592589	-	-	9.2	503.1616_539.1384_549.1671
D-(+)-Ribonic acid .gamma.-lactone	-	ME592725	-	-	9.2	105.0180_165.0395_165.0394
D-Ribose 1-phosphate	Ribose 1-phosphate	ME592726	-	-	9.6	229.0114
D-(+)-Trehalose	Trehalose	ME592516	-	-	9.3	341.1087_377.0855_387.1143
D-Turanose	-	ME592654	-	-	7.7	83.0125_143.0338
D-Xylose	Xylose	ME592664	-	-	7.7	71.0125_131.0337
D-Xylulose	L-Ribulose	ME592727	-	-	7.4	71.0125_131.0338
Ellagic acid	Ellagic acid	ME592688	-	-	9.3	300.9962
Engeletin	-	ME592692	-	-	1.4	287.0559
Epicatechin	Epicatechin	ME592619	-	-	2.8	289.0716
Ferulic acid	trans-Ferulic acid	ME592569	-	-	1.3	193.0498
Fructose-1-phosphate	Fructose 1-phosphate	ME592733	-	-	9.5	259.0222
Galactonic acid	Galactonic acid	ME592642	-	-	10.2	195.0502
gamma-Glutamylleucine	gamma-Glutamylleucine	ME592593	-	-	8	259.1297
gamma-Glutamylmethionine	gamma-Glutamylmethionine	ME592649	-	-	8.4	277.0861
.gamma.-Glutamyl-(S)-allyl-L-cysteine	-	ME592503	-	-	8.3	289.0861_271.0757
gamma-Glutamyltyrosine;	gamma-Glutamyltyrosine	ME592693	-	-	8.6	309.1091
Geniposide	Geniposide	ME592530	-	-	4.4	387.1297
Gentianose	-	ME592588	-	-	9.5	549.1674
Gentisinic acid	Gentisic acid	ME592708	-	-	2.4	153.0182
Geranic acid	Geranic acid	ME592732	-	-	1	167.1067
Glu-Asn	Glu-Asn	ME592671	-	-	9.7	260.0888
Glucose	Glucose	ME592704	-	-	7.5	119.0337_179.0551
Glucose-1-phosphate	Glucose 1-phosphate	ME592529	-	-	9.6	241.0115_259.0222
Glucose-6-phosphate	Glucose 6-phosphate	ME592594	-	-	9.8	259.0222
Glucuronic acid B	-	ME592609	-	-	9.2	193.0345
Glu-Gln	Glu-Gln	ME592583	-	-	9.6	274.1045
Glu-Phe	Glu-Phe	ME592718	-	-	8.1	293.1141
Glutamic acid	Glutamic acid	ME592701	-	-	8.7	146.0446
Glutamine	Glutamine	ME592730	-	-	8.5	145.0606
Glutaric acid	Glutaric acid	ME592546	-	-	2.7	131.0338
Glutathione (oxidized)	Glutathione	ME592724	-	-	10.2	611.1432
Glutathione (reduced)	Glutathione	ME592657	-	-	9	306.0763
Glu-Thr	Glu-Thr	ME592554	-	-	9.1	247.0932
Glyceraldehyde	Glyceraldehyde	ME592584	-	-	7.7	89.0231
Gly-Ile	Gly-Ile	ME592562	-	-	7.7	187.1097
Gly-Tyr	Gly-Tyr	ME592710	-	-	8.1	237.0877
Guanine	Guanine	ME592682	-	-	6.4	150.041
Guanosine	Guanosine	ME592603	-	-	7.1	282.0843
Guanosine-3',5'-cyclic monophosphate	3',5' cyclic GMP	ME592736	-	-	8.3	344.0402
Guanosine-5'-monophosphate	GMP	ME592648	-	-	9.6	362.0506
Hippuric acid	Hippuric acid	ME592632	-	-	3	178.05
His-Thr	His-Thr	ME592706	-	-	1.4	255.1058
Histidine	Histidine	ME592521	-	-	9.4	154.0611
Homogentisic acid	Homogentisic acid	ME592533	-	-	1.2	149.0233
Homoserine	Homoserine	ME592678	-	-	8.3	118.0497
Homovanillic acid	Homovanillic acid	ME592635	-	-	1.4	181.0497
Hyperoside	-	ME592614	-	-	5.6	463.0883
Hypoxanthine	Hypoxanthine	ME592496	-	-	4.8	135.0258
Indole-3-carboxaldehyde	1H-Indole-3-carboxaldehyde	ME592612	-	-	1.1	144.0443
Indole-3-carboxylic acid	Indole-3-carboxylic acid	ME592566	-	-	1.3	160.0394
Inosine	Inosine	ME592675	-	-	6.2	267.0735
Isocitric acid	Isocitric acid	ME592605	-	-	2.7	111.0058
Isoleucine	Isoleucine	ME592743	-	-	7.1	130.0862
Isomaltose	Isomaltose	ME592752	-	-	9.2	387.1143
Isomaltose B	-	ME592751	-	-	9.1	341.1088
Kaempferol	Kaempferol	ME592543	-	-	1.4	285.0403
Kaempferol-3-O-rutinoside	Kaempferol-3-O-rutinoside	ME592653	-	-	6.1	593.1517
Ketoisovaleric acid	Ketoisovaleric acid	ME592630	-	-	3.1	115.0388
Kynurenic acid	Kynurenic acid	ME592515	-	-	6.1	188.0345
Lactitol	Lactitol	ME592691	-	-	8.9	343.1244
Lactose B	-	ME592512	-	-	8.9	341.1087
Laminaritetraose	-	ME592611	-	-	9.7	665.2150_701.1918
Leu-Ile	Leu-Ile	ME592564	-	-	6	243.1711
L-Fucitol	Fucitol	ME592660	-	-	5.2	165.0758_201.0528
L-Gulono-1,4-lactone	-	ME592670	-	-	4.9	195.0502_177.0395_213.0165
L-Homocitrulline	Homocitrulline	ME592715	-	-	8.2	171.0765
Linoleic acid	Linoleic acid	ME592616	-	-	1	279.2328
L-NG-Monomethylarginine	-	ME592600	-	-	9.2	187.1192
L-Sorbose	Sorbose	ME592578	-	-	7.4	179.0551_215.0321
Luteolin 7-methyl ether	-	ME592650	-	-	1.2	299.0559
Lysine	Lysine	ME592559	-	-	9.5	145.0971
Malic acid	Malic acid	ME592598	-	-	9.4	133.0130_193.0345
Maltose	Maltose	ME592514	-	-	8.7	341.1088
Maltotriose	Maltotriose	ME592505	-	-	9.6	549.1674_503.1619
Manninotriose	-	ME592508	-	-	9.9	503.1617
Melezitose	Melezitose	ME592637	-	-	9.3	549.1671_503.1617_539.1383
Melibiose B	-	ME592749	-	-	9.2	341.1086
Mesaconic acid	Mesaconic acid	ME592522	-	-	4.3	129.0181
Methionine	Methionine	ME592498	-	-	7.3	148.0426
Methionine sulfoxide	Methionine sulfoxide	ME592629	-	-	8.5	164.0377
Methyl-beta-galactopyranoside	-	ME592523	-	-	5.2	193.0681
Methylgallate	-	ME592495	-	-	1.4	183.0291
Mucic acid	Galactaric acid	ME592489	-	-	10.2	209.0297
myo-Inositol	Myo-inositol	ME592647	-	-	8.8	179.0551_215.0321_225.061
N2,N2-Dimethylguanosine	N2,N2-Dimethylguanosine	ME592651	-	-	5.5	310.1155
N-Acetyl-D-glucosamine	N-Acetyl-D-glucosamine	ME592613	-	-	7.1	256.0591_266.0881
N-Acetylglutamic acid	N-Acetylglutamic acid	ME592641	-	-	7.6	188.0555
N-Acetylhistidine	N-Acetylhistidine	ME592558	-	-	8	196.072
N-Acetyl-L-alanine	N-Acetylalanine	ME592571	-	-	4.8	130.0497
N-Acetyl-L-glutamine	N-Acetylglutamine	ME592570	-	-	8.7	127.0501_145.0608
N-Acetylmethionine	N-Acetylmethionine	ME592721	-	-	3.1	190.0535
N-Acetylneuraminic acid	N-Acetylneuraminic acid	ME592663	-	-	9.3	308.0987
N-Acetylserine	N-Acetylserine	ME592550	-	-	7.7	146.0446
N-Acetyltryptophan	N-Acetyl-tryptophan	ME592492	-	-	2.7	245.0928
N-.alpha.-Acetyl-L-ornithine	N-Acetylornithine	ME592553	-	-	8.2	173.0922
N-epsilon-Acetyllysine	N6-Acetyllysine	ME592490	-	-	8	187.108
N-Methylalanine	N-Methylalanine	ME592509	-	-	8.7	102.0547
N-Methylglutamic acid	N-Methyl-glutamic acid	ME592717	-	-	8.4	160.0605
N-Methylserine	-	ME592623	-	-	8	118.0497
N-Methylvaline	N-Methyl-valine	ME592501	-	-	6.9	130.0861
N,N-Dimethylarginine	Dimethylarginine	ME592722	-	-	8.9	201.1349
O,O-Dimethyl dithiophosphate	-	ME592741	-	-	1	156.9541
O-Phosphocolamine	Phosphoethanolamine	ME592666	-	-	9.3	140.0106
Ornithine	Ornithine	ME592746	-	-	9.6	131.0813
Orotic acid	Orotic acid	ME592626	-	-	7.3	111.0187_155.0087
Palatinose	Palatinose	ME592625	-	-	8.5	341.1086_377.0855
Palmitic acid	Palmitic acid	ME592540	-	-	1	255.2328
P-Anisic acid	-	ME592731	-	-	1.2	151.0389
Pantothenic acid	Pantothenic acid	ME592510	-	-	3.3	218.1028
Phenylalanine	Phenylalanine	ME592707	-	-	6.8	164.0706
Phloretin	Phloretin	ME592687	-	-	1.4	273.0768
Phlorizin	Phlorizin	ME592539	-	-	3.7	435.1295
Phloroglucinocarboxaldehyde	-	ME592631	-	-	1.4	153.0182
Procyanidin B2	Procyanidin B2	ME592714	-	-	6	577.1352
Propionic acid	Propionic acid	ME592709	-	-	1.7	73.0281
Pseudouridine	Pseudouridine	ME592624	-	-	6.9	243.0619
Psicose	Psicose	ME592579	-	-	5.7	179.0552_215.0322
Pyroglutamic acid	Pyroglutamic acid	ME592607	-	-	8.7	128.0341
Pyrrole-2-carboxylic acid	Pyrrole-2-carboxylic acid	ME592705	-	-	4.8	110.0234
Pyruvic acid	Pyruvic acid	ME592574	-	-	5.2	87.0074
Quinic acid	Quinic acid	ME592487	-	-	9.6	191.0529
rac-Glycerol 3-phosphate	-	ME592544	-	-	8.9	171.0054
Raffinose	Raffinose	ME592590	-	-	9.5	503.1617
Ribose-5-phosphate	Ribose 5-phosphate	ME592572	-	-	9.3	229.0115
Ribose A	-	ME592665	-	-	4.3	149.0444
Salicylic acid	Salicylic acid	ME592723	-	-	1.4	137.0232
Salidroside	4-Hydroxyphenyl-2-ethylglucopyranoside	ME592537	-	-	4.4	345.1188
Serine	Serine	ME592587	-	-	8.6	104.034
Ser-Val	Ser-Val	ME592538	-	-	8	203.1031
Sinapic acid	Sinapic acid	ME592617	-	-	1.4	223.0641
Sorbitol	Sorbitol	ME592494	-	-	7.7	181.0707
S-Sulfocysteine	Cysteine-S-sulfate	ME592597	-	-	8	199.9686
Stachyose	Stachyose	ME592681	-	-	10	665.215
Succinic acid	Succinic acid	ME592560	-	-	3.9	117.0179
Sucrose	Sucrose	ME592742	-	-	8.4	341.1085_377.0854
Sulfoacetic acid	Sulfoacetic acid	ME592729	-	-	8.2	138.9695
Tagatose	D-Tagatose	ME592604	-	-	7.7	119.0337_179.0551
Tartaric acid	Tartaric acid	ME592497	-	-	10	149.008
Taurine	Taurine	ME592719	-	-	7.7	124.0061
Taurocholic acid	Taurocholic acid	ME592696	-	-	6.1	514.2842
Threonine	Threonine	ME592547	-	-	8.2	118.0497
Thr-Val	Thr-Val	ME592689	-	-	7.7	217.1187
Tiliroside	-	ME592491	-	-	3	593.1303
trans-3,5-Dimethoxy-4-hydroxycinnamaldehyde	Sinapoyl aldehyde	ME592655	-	-	2.7	207.0656
trans-4-Hydroxy-L-proline	trans-4-Hydroxyproline	ME592620	-	-	8	130.0497
trans-Ferulic acid	trans-Ferulic acid	ME592568	-	-	1.2	193.0498
trans-Traumatic acid	Traumatic acid	ME592582	-	-	1.3	227.1283
Tryptophan	Tryptophan	ME592633	-	-	6.8	203.0819
Uridine;	Uridine	ME592488	-	-	4.8	243.0618_279.0387
Uridine-5-diphosphoacetylglucosamine	UDP-N-acetylglucosamine	ME592576	-	-	9.9	606.0739
Uridine 5'-monophosphate	UMP	ME592747	-	-	9.1	323.0284
Uridine diphosphate galactose	Uridine diphosphategalactose	ME592526	-	-	10	565.0479
Ursolic acid	Ursolic acid	ME592698	-	-	1.1	455.353
Val-Glu	Val-Glu	ME592680	-	-	8.4	245.1138
Valine	Valine	ME592573	-	-	7.7	116.0704
Val-Leu	Val-Leu	ME592712	-	-	6.7	229.1553
Vanillic acid	Vanillic acid	ME592702	-	-	1.3	167.0339
Verbascose	Verbascose	ME592500	-	-	10.3	827.2685
Vitamin C	Vitamin C	ME592685	-	-	1.4	175.0238
Xylose	Xylose	ME592628	-	-	6.1	149.0444

Analysis: Reversed phase POSITIVE ION MODE

Metabolite Name	RefMet Name/Standardized Name*	WorkBench Metabolite_ID	PubChem Compound_ID	Kegg Id	Retention time/index	m/z ratio
1_CE 22:1; iSTD	-	ME592771	-	-	11.7	843.4543333
1_Cer d18:1/17:0; iSTD	-	ME592772	-	-	5.9	553.8584
1_Cholesterol d7 iSTD	-	ME592773	-	-	4.8	376.3957
1_CUDA iSTD	-	ME592774	-	-	0.7	341.2798
1_DG 12:0/12:0/0:0; iSTD	-	ME592775	-	-	4.3	476.629775
1_DG 18:1/2:0/0:0; iSTD	-	ME592776	-	-	3.2	424.965
1_LPC 17:0; iSTD	-	ME592777	-	-	1.8	510.3554
1_LPE 17:1; iSTD	-	ME592778	-	-	1.3	466.2928
1_MG 17:0/0:0/0:0; iSTD	-	ME592779	-	-	3	358.3025667
1_PC 12:0/13:0; iSTD	-	ME592780	-	-	3.6	636.4602
1_PE 17:0/17:0; iSTD	-	ME592781	-	-	6.3	720.5536
1_SM d18:1/17:0; iSTD	-	ME592782	-	-	5.1	717.5904
1_Sphingosine d17:1; iSTD	-	ME592783	-	-	1.1	286.2741
1_TG (14:0/16:1/14:0)-d5 iSTD	-	ME592784	-	-	9.4	780.3515333
1_TG d5 17:0/17:1/17:0; iSTD	-	ME592785	-	-	11	878.4613333
acylcarnitine 10:0;	CAR 10:0	ME592786	-	-	0.6	316.2482
acylcarnitine 10:1;	CAR 10:1	ME592787	-	-	0.6	314.2325
acylcarnitine 12:1;	CAR 12:1	ME592788	-	-	0.6	342.2639
acylcarnitine 14:1;	CAR 14:1	ME592789	-	-	0.7	370.2953
acylcarnitine 14:2;	CAR 14:2	ME592790	-	-	0.7	368.2793
AcylGlcADG 50:2; AcylGlcADG 16:0-16:0-18:2;	-	ME592791	-	-	8.4	1027.2804
AcylGlcADG 52:4; AcylGlcADG 18:2-16:0-18:2;	-	ME592792	-	-	8.1	1048.8038
AcylGlcADG 52:5;	-	ME592793	-	-	7.7	1046.7881
Ceramide-AP t34:1; Ceramide-AP t18:1/16:0;	-	ME592799	-	-	4.7	570.5087
Ceramide-AP t40:1; Ceramide-AP t18:1/22:0;	-	ME592800	-	-	6.6	654.6033
Ceramide-AP t41:1; Ceramide-AP t18:1/23:0;	-	ME592801	-	-	7	679.60985
Ceramide-AP t41:2; Ceramide-AP t18:1/23:1;	-	ME592802	-	-	6.9	666.6036
Ceramide-AP t42:0; Ceramide-AP t18:0/24:0;	-	ME592803	-	-	7.6	695.6413
Ceramide-AP t42:1; Ceramide-AP t18:1/24:0;	-	ME592804	-	-	6.8	682.6343
Ceramide-AP t42:2; Ceramide-AP t18:1/24:1;	-	ME592805	-	-	6.6	691.6098
Ceramide-AP t43:1; Ceramide-AP t18:1/25:0;	-	ME592806	-	-	7.6	707.64155
Ceramide-AP t43:2; Ceramide-AP t18:1/25:1;	-	ME592807	-	-	6.9	694.6346
Ceramide-AP t44:1; Ceramide-AP t18:1/26:0;	-	ME592808	-	-	7.9	721.6566
Ceramide-AP t44:2; Ceramide-AP t18:1/26:1;	-	ME592809	-	-	7.3	708.6503
Ceramide-AP t45:1; Ceramide-AP t18:1/27:0;	-	ME592810	-	-	8.3	724.6824
Ceramide d34:1;	Cer 34:1;O2	ME592794	-	-	5.6	538.5195
Ceramide d38:1;	Cer 38:1;O2	ME592795	-	-	7	616.5667
Ceramide d40:1;	Cer 40:1;O2	ME592796	-	-	7.6	622.613
Ceramide d42:2; A	Cer 42:2;O2	ME592797	-	-	7.6	659.6199
Ceramide d42:2; B	Cer 42:2;O2	ME592798	-	-	7.7	670.611
Ceramide-NS d34:3; Ceramide-NS d18:2/16:1;	-	ME592811	-	-	4.5	534.4881
cholesteryl ester 18:1;	-	ME592812	-	-	10.8	668.6341
cholesteryl ester 18:2;	-	ME592813	-	-	10.4	666.6187
cholesteryl ester 20:2;	-	ME592814	-	-	10.7	697.1272
cholesteryl ester 20:3;	-	ME592815	-	-	10.4	695.11165
cholesteryl ester 20:4;	-	ME592816	-	-	10.1	693.096
cholesteryl ester 22:6;	-	ME592817	-	-	9.8	714.6183
DGDG 32:0; DGDG 16:0-16:0;	-	ME592818	-	-	5.4	913.1239
DGDG 34:2; DGDG 16:0-18:2;	DGDG 16:0_18:2	ME592819	-	-	5	934.6461
DGDG 34:3; DGDG 16:0-18:3;	DGDG 16:0_18:3	ME592820	-	-	4.6	932.6311
DGDG 34:4; DGDG 16:1-18:3;	DGDG 16:1_18:3	ME592821	-	-	4.2	930.6154
DGDG 34:5; DGDG 16:2-18:3;	-	ME592822	-	-	3.9	928.5989
DGDG 35:3; DGDG 17:0-18:3;	DGDG 17:0_18:3	ME592823	-	-	4.8	946.6466
DGDG 35:6; DGDG 17:2-18:4;	DGDG 17:2_18:4	ME592824	-	-	3.8	943.0773
DGDG 36:2; DGDG 18:0-18:2;	DGDG 18:0_18:2	ME592825	-	-	5.6	965.15585
DGDG 36:3; DGDG 18:0-18:3;	DGDG 18:0_18:3	ME592826	-	-	5.2	963.13955
DGDG 36:3; DGDG 18:1-18:2;	DGDG 18:1_18:2	ME592827	-	-	5.1	960.6619
DGDG 36:4; DGDG 18:1-18:3;	DGDG 18:1_18:3	ME592828	-	-	4.7	958.6461
DGDG 36:5; DGDG 18:2-18:3;	DGDG 18:2_18:3	ME592829	-	-	4.3	956.6306
DGDG 36:6; DGDG 18:2-18:4;	DGDG 18:2_18:4	ME592830	-	-	4	954.6159
DGDG 38:6; DGDG 18:3-20:3;	DGDG 18:3_20:3	ME592831	-	-	4.4	985.12465
DGDG 42:2; DGDG 24:0-18:2;	-	ME592832	-	-	7.5	1049.2501
DGTS 34:1; DGTS 16:0-18:1;	-	ME592833	-	-	5.9	738.624
DGTS 34:2; DGTS 16:0-18:2;	-	ME592834	-	-	5.4	736.6083
diacylglycerol 29:4;	-	ME592835	-	-	8.3	536.4377
diacylglycerol 34:0; diacylglycerol 16:0-18:0;	-	ME592836	-	-	7.5	614.5719
diacylglycerol 34:1;	-	ME592837	-	-	6.9	621.1845333
diacylglycerol 34:2;	-	ME592838	-	-	6.4	619.1689
diacylglycerol 34:3;	-	ME592839	-	-	5.8	617.1532333
diacylglycerol 34:3; diacylglycerol 16:0-18:3;	-	ME592840	-	-	5.9	608.5248
diacylglycerol 36:0; diacylglycerol 18:0-18:0;	-	ME592841	-	-	8.1	653.06795
diacylglycerol 36:1;	-	ME592842	-	-	7.5	649.2161
diacylglycerol 36:2;	-	ME592843	-	-	6.9	647.2002333
diacylglycerol 36:2; diacylglycerol 18:0-18:2;	-	ME592844	-	-	7	638.572
diacylglycerol 36:3;	-	ME592845	-	-	6.4	645.1844333
diacylglycerol 36:3; diacylglycerol 18:0-18:3;	-	ME592846	-	-	6.5	636.5565
diacylglycerol 36:4; A	-	ME592847	-	-	5.9	643.1688667
diacylglycerol 36:5; diacylglycerol 18:2-18:3;	-	ME592848	-	-	5.4	624.0116
diacylglycerol 36:6; diacylglycerol 18:3-18:3;	-	ME592849	-	-	5	630.5095
diacylglycerol 38:2; diacylglycerol 20:0-18:2;	-	ME592850	-	-	7.7	669.08115
diacylglycerol 38:3; diacylglycerol 20:0-18:3;	-	ME592851	-	-	7.2	664.5875
diacylglycerol 38:3; diacylglycerol 20:1-18:2;	-	ME592852	-	-	7	664.5881
diacylglycerol 40:2; diacylglycerol 22:0-18:2;	-	ME592853	-	-	8.3	694.635
Gal-Gal-Cer d18:1/16:0; or Lactosylceramide d18:1/...	-	ME592854	-	-	4.8	862.6245
GlcADG 34:2; GlcADG 16:0-18:2;	-	ME592855	-	-	4.9	786.5725
GlcCer d40:1;	GlcCer 40:1;O2	ME592856	-	-	7	784.6651
GlcCer d42:2;	GlcCer 42:2;O2	ME592857	-	-	7	792.666
HBMP 50:3; HBMP 16:0-16:0-18:3;	-	ME592858	-	-	7.4	1000.7595
HBMP 52:4; HBMP 16:0-18:2-18:2;	-	ME592859	-	-	7.4	1026.774
HBMP 54:2; HBMP 18:0-18:0-18:2;	-	ME592860	-	-	8.6	1058.8231
HBMP 54:3; HBMP 18:1-18:1-18:1;	-	ME592861	-	-	8.1	1059.2862
HBMP 54:4; HBMP 18:1-18:1-18:2;	-	ME592862	-	-	7.7	1054.7927
HexCer-AP t34:1; HexCer-AP t18:1/16:0;	HexCer 18:1;O3/16:0*	ME592863	-	-	4.3	732.5619
HexCer-AP t36:1; HexCer-AP t18:1/18:0;	HexCer 18:1;O3/18:0*	ME592864	-	-	4.8	760.593
HexCer-AP t38:1; HexCer-AP t18:1/20:0;	HexCer 18:1;O3/20:0*	ME592865	-	-	5.4	788.6246
HexCer-AP t40:1; HexCer-AP t18:1/22:0;	HexCer 18:1;O3/22:0*	ME592866	-	-	6.2	816.6564
HexCer-AP t41:1; HexCer-AP t18:1/23:0;	HexCer 18:1;O3/23:0*	ME592867	-	-	6.4	841.66325
HexCer-AP t42:1; HexCer-AP t18:1/24:0;	HexCer 18:1;O3/24:0*	ME592868	-	-	6.8	855.67855
HexCer-AP t42:2; HexCer-AP t18:1/24:1;	HexCer 18:1;O3/24:1*	ME592869	-	-	6.1	853.66295
HexCer-AP t43:1; HexCer-AP t18:1/25:0;	HexCer 18:1;O3/25:0*	ME592870	-	-	7.1	869.69425
HexCer-AP t44:1; HexCer-AP t18:1/26:0;	HexCer 18:1;O3/26:0*	ME592871	-	-	7.4	883.70865
HexCer-AP t45:1; HexCer-AP t18:1/27:0;	HexCer 18:1;O3/27:0*	ME592872	-	-	7.7	886.7351
HexCer-AP t46:1; HexCer-AP t18:1/28:0;	HexCer 18:1;O3/28:0*	ME592873	-	-	8	900.7499
LDGCC 22:3;	LDGCC 22:3*	ME592874	-	-	3.5	568.4272
LPC 14:0;	LPC 14:0	ME592875	-	-	1	468.3087
LPC 14:0-SN1;	LPC 14:0	ME592876	-	-	0.8	468.3087
LPC 15:0;	LPC 15:0	ME592877	-	-	1.2	482.324
LPC 16:0;	LPC 16:0	ME592878	-	-	1.4	507.3308
LPC 16:1;	LPC 16:1	ME592879	-	-	1.1	494.3241
LPC 17:1;	LPC 17:1	ME592880	-	-	1.3	508.3402
LPC 18:0;	LPC 18:0	ME592881	-	-	2.2	535.3621
LPC 18:1;	LPC 18:1	ME592882	-	-	1.6	533.3465
LPC 18:2;	LPC 18:2	ME592883	-	-	1.2	531.3307
LPC 18:3;	LPC 18:3	ME592884	-	-	1	518.3242
LPC 18:3-SN1;	-	ME592885	-	-	0.8	529.31495
LPC 20:0;	LPC 20:0	ME592886	-	-	3.1	552.4023
LPC 20:1;	LPC 20:1	ME592887	-	-	2.4	550.3864
LPC 20:2;	LPC 20:2	ME592888	-	-	1.8	548.3713
LPC 20:3;	LPC 20:3	ME592889	-	-	1.4	546.3557
LPC 20:4;	LPC 20:4	ME592890	-	-	1.2	544.3399
LPC 20:5;	LPC 20:5	ME592891	-	-	0.9	542.3242
LPE 16:0;	LPE 16:0	ME592892	-	-	1.5	454.2927
LPE 18:2;	LPE 18:2	ME592893	-	-	1.2	478.2927
LPE 18:3;	LPE 18:3	ME592894	-	-	0.8	476.2771
LPE 22:0;	LPE 22:0	ME592895	-	-	3.6	538.3868
MGDG 34:2; MGDG 16:0-18:2;	MGDG 16:0_18:2	ME592896	-	-	5.5	775.07085
MGDG 34:3; MGDG 16:0-18:3;	MGDG 16:0_18:3	ME592897	-	-	5.1	770.5772
MGDG 34:4; MGDG 16:1-18:3;	MGDG 16:1_18:3	ME592898	-	-	4.6	771.0398
MGDG 34:5; MGDG 16:2-18:3;	-	ME592899	-	-	4.2	769.02435
MGDG 34:6; MGDG 16:3-18:3;	-	ME592900	-	-	3.9	764.5307
MGDG 36:2; MGDG 18:1-18:1;	-	ME592901	-	-	6.1	800.6248
MGDG 36:3; MGDG 18:0-18:3;	MGDG 18:0_18:3	ME592902	-	-	5.7	801.08695
MGDG 36:3; MGDG 18:1-18:2;	MGDG 18:1_18:2	ME592903	-	-	5.6	801.0862
MGDG 36:4; MGDG 18:1-18:3;	MGDG 18:1_18:3	ME592904	-	-	5.1	796.593
MGDG 36:5; MGDG 18:2-18:3;	MGDG 18:2_18:3	ME592905	-	-	4.7	794.5776
MGDG 38:5; MGDG 20:2-18:3;	-	ME592906	-	-	5.2	822.6087
MGDG 38:6; MGDG 18:3-20:3;	MGDG 18:3_20:3	ME592907	-	-	4.8	823.0708
PC 16:0/9:0 CHO;	-	ME592908	-	-	2.3	650.4404
PC 30:0;	PC 30:0	ME592909	-	-	4.9	706.5378
PC 30:2;	PC 30:2	ME592910	-	-	4	702.5067
PC 31:0;	PC 31:0	ME592911	-	-	5.2	720.552
PC 32:0;	PC 32:0	ME592912	-	-	5.5	734.5696
PC 32:1;	PC 32:1	ME592913	-	-	5	732.5537
PC 32:2;	PC 32:2	ME592914	-	-	4.5	730.538
PC 32:3;	PC 32:3	ME592915	-	-	4.1	728.5228
PC 33:0;	PC 33:0	ME592916	-	-	5.7	748.584
PC 33:1;	PC 33:1	ME592917	-	-	5.2	746.5694
PC 33:2;	PC 33:2	ME592918	-	-	4.8	744.5533
PC 33:3;	PC 33:3	ME592919	-	-	4.4	742.5379
PC 33:4;	PC 33:4	ME592920	-	-	4.1	740.5226
PC 34:0;	PC 34:0	ME592921	-	-	6.2	762.6012
PC 34:1	PC 34:1	ME592922	-	-	5.6	760.5854_782.567
PC 34:2	PC 34:2	ME592923	-	-	5.2	758.5693_788.5379
PC 34:3;	PC 34:3	ME592924	-	-	4.7	778.5362
PC 34:3; A	PC 34:3	ME592925	-	-	4.6	767.54475
PC 34:3; B	PC 34:3	ME592926	-	-	4.7	756.5536
PC 34:4;	PC 34:4	ME592927	-	-	4.4	754.5426
PC 34:4; PC 16:1-18:3;	PC 16:1_18:3	ME592928	-	-	4.2	754.5419
PC 35:1;	PC 35:1	ME592929	-	-	5.9	774.6004
PC 35:2; B	PC 35:2	ME592930	-	-	5.4	772.5848
PC 35:3;	PC 35:3	ME592931	-	-	5	770.5693
PC 35:4;	PC 35:4	ME592932	-	-	4.5	768.554
PC 35:5;	PC 35:5	ME592933	-	-	4.1	766.5389
PC 36:1;	PC 36:1	ME592934	-	-	6.2	799.6076
PC 36:2;	PC 36:2	ME592935	-	-	5.7	797.59205
PC 36:3;	PC 36:3	ME592936	-	-	5.2	806.567
PC 36:3; A	PC 36:3	ME592937	-	-	5.1	784.5853
PC 36:3; B	PC 36:3	ME592938	-	-	5.2	784.5854
PC 36:3; PC 18:0-18:3;	PC 18:0_18:3	ME592939	-	-	5.3	784.585
PC 36:4; A	PC 36:4	ME592940	-	-	4.7	782.5692
PC 36:4; C	PC 36:4	ME592941	-	-	5	782.5698
PC 36:5; A	PC 36:5	ME592942	-	-	4.3	780.5541
PC 36:5; C	PC 36:5	ME592943	-	-	4.5	780.5532
PC 36:5; D	PC 36:5	ME592944	-	-	4.6	780.5541
PC 36:6; PC 18:3-18:3;	PC 18:3/18:3	ME592945	-	-	4	789.529
PC 37:1e;	PC O-37:1	ME592946	-	-	6.5	788.6409
PC 37:2;	PC 37:2	ME592947	-	-	6	800.6149
PC 37:5;	PC 37:5	ME592948	-	-	4.9	794.5692
PC 37:6;	PC 37:6	ME592949	-	-	4.6	792.5535
PC 38:2;	PC 38:2	ME592950	-	-	6.3	814.6323
PC 38:3;	PC 38:3	ME592951	-	-	5.9	812.6168
PC 38:4; A	PC 38:4	ME592952	-	-	5.3	810.6009
PC 38:4; B	PC 38:4	ME592953	-	-	5.4	810.601
PC 38:4; C	PC 38:4	ME592954	-	-	5.6	810.6009
PC 38:5; A	PC 38:5	ME592955	-	-	5	808.5853
PC 38:5; B	PC 38:5	ME592956	-	-	5.2	808.5853
PC 38:5; PC 20:2-18:3;	PC 18:3_20:2	ME592957	-	-	4.8	808.5853
PC 38:6;	PC 38:6	ME592958	-	-	4.4	806.5692
PC 38:6; A	PC 38:6	ME592959	-	-	4.6	806.5699
PC 38:6; B	PC 38:6	ME592960	-	-	4.8	806.5698
PC 38:6; C	PC 38:6	ME592961	-	-	5.1	806.5665
PC 39:2;	PC 39:2	ME592962	-	-	6.7	828.6475
PC 40:2;	PC 40:2	ME592963	-	-	7	842.6638
PC 40:3;	PC 40:3	ME592964	-	-	6.6	840.648
PC 40:4;	PC 40:4	ME592965	-	-	6.1	827.64715
PC 40:6; B	PC 40:6	ME592966	-	-	5.4	834.6011
PC 42:2; PC 24:0-18:2;	PC 18:2_24:0	ME592967	-	-	7.7	870.6951
PC 42:3;	PC 42:3	ME592968	-	-	7	868.6795
PC 42:4;	PC 42:4	ME592969	-	-	6.6	866.6635
PC 43:3e;	PC O-43:3	ME592970	-	-	7.7	868.704
PC 44:2e;	PC O-44:2	ME592971	-	-	7.9	884.7343
PC p-34:2/PC o-34:3;	PC P-34:2 or PC O-34:3	ME592972	-	-	5.4	742.5745
PC p-36:4/PC o-36:5;	PC P-36:4 or PC O-36:5	ME592973	-	-	5.2	766.5746
PE 32:2; PE 14:0-18:2;	PE 14:0_18:2	ME592974	-	-	4.6	688.4911
PE 32:3; PE 14:0-18:3;	PE 14:0_18:3	ME592975	-	-	4.2	686.4755
PE 33:2; PE 15:0-18:2;	PE 15:0_18:2	ME592976	-	-	4.9	702.507
PE 33:3; PE 15:0-18:3;	PE 15:0_18:3	ME592977	-	-	4.5	700.4913
PE 34:1; PE 16:0-18:1;	PE 16:0_18:1	ME592978	-	-	5.7	729.52905
PE 34:2;	PE 34:2	ME592979	-	-	5.2	727.51315
PE 34:3; PE 16:0-18:3;	PE 16:0_18:3	ME592980	-	-	4.8	714.5065
PE 35:2;	PE 35:2	ME592981	-	-	5.5	730.5385
PE 36:1;	PE 36:1	ME592982	-	-	6.3	746.5689
PE 36:2;	PE 36:2	ME592983	-	-	5.8	755.54465
PE 36:3;	PE 36:3	ME592984	-	-	5.3	753.529
PE 36:3; PE 18:0-18:3;	PE 18:0_18:3	ME592985	-	-	5.4	742.5385
PE 36:4;	PE 36:4	ME592986	-	-	5	751.5127
PE 36:4; PE 18:2-18:2;	PE 18:2/18:2	ME592987	-	-	4.8	740.5221
PE 36:5;	PE 36:5	ME592988	-	-	4.4	760.4849
PE 36:5; PE 18:2-18:3;	PE 18:2_18:3	ME592989	-	-	4.4	738.507
PE 36:6; PE 18:3-18:3;	PE 18:3/18:3	ME592990	-	-	4.1	747.481
PE 38:2; PE 20:0-18:2;	PE 18:2_20:0	ME592991	-	-	6.5	772.5851
PE 38:3; PE 20:0-18:3;	PE 18:3_20:0	ME592992	-	-	6	770.5698
PE 38:5;	PE 38:5	ME592993	-	-	4.9	766.5369
PE 38:7;	PE 38:7	ME592994	-	-	3.3	762.4916
PE 40:2; PE 22:0-18:2;	PE 18:2_22:0	ME592995	-	-	7.1	811.6073
PE 40:3; PE 22:0-18:3;	PE 18:3_22:0	ME592996	-	-	6.7	798.6011
PE 40:9;	PE 40:9	ME592997	-	-	3.1	786.492
PE 41:2; PE 23:0-18:2;	PE 18:2_23:0	ME592998	-	-	7.5	814.632
PE 41:3;	PE 41:3	ME592999	-	-	6.8	812.6172
PE 42:2; PE 24:0-18:2;	PE 18:2_24:0	ME593000	-	-	7.8	839.63885
PE 42:3; PE 24:0-18:3;	PE 18:3_24:0	ME593001	-	-	7.3	826.6321
PE 42:3; PE 24:1-18:2;	PE 18:2_24:1	ME593002	-	-	7.1	826.6324
PE 42:4; PE 24:1-18:3;	PE 18:3_24:1	ME593003	-	-	6.7	824.6163
PG 32:0; PG 16:0-16:0;	PG 16:0/16:0	ME593004	-	-	4.8	740.5466
PG 32:1; PG 16:0-16:1;	PG 16:0_16:1	ME593005	-	-	4.6	738.5278
PG 34:0; PG 17:0-17:0;	PG 17:0/17:0	ME593006	-	-	5.4	760.0618
PG 34:1; PG 16:0-18:1;	PG 16:0_18:1	ME593007	-	-	4.9	766.5593
PG 34:1; PG 18:0-16:1;	PG 16:1_18:0	ME593008	-	-	5.2	766.5593
PG 34:2; PG 16:0-18:2;	PG 16:0_18:2	ME593009	-	-	4.5	756.03045
PG 34:2; PG 16:1-18:1;	PG 16:1_18:1	ME593010	-	-	4.7	756.03
PG 34:3; PG 16:0-18:3;	PG 16:0_18:3	ME593011	-	-	4.1	762.528
PG 34:4; PG 16:1-18:3;	PG 16:1_18:3	ME593012	-	-	4	751.9987
PG 36:5; PG 18:2-18:3;	PG 18:2_18:3	ME593013	-	-	3.9	786.5283
PI 32:0;	PI 32:0	ME593014	-	-	4	842.0308
PI 34:1;	PI 34:1	ME593015	-	-	4.7	846.0616
PI 34:2;	PI 34:2	ME593016	-	-	4.3	848.5359
PI 34:3;	PI 34:3	ME593017	-	-	4	855.4996
PI 36:2;	PI 36:2	ME593018	-	-	4.8	872.0778
PI 36:3;	PI 36:3	ME593019	-	-	4.4	878.5762
PI 36:4;	PI 36:4	ME593020	-	-	4	868.04685
PI 36:5;	PI 36:5	ME593021	-	-	3.7	874.5439
PS 34:2;	PS 34:2	ME593022	-	-	4.4	760.5131
PS 36:3;	PS 36:3	ME593023	-	-	4.6	786.5288
PS 38:2;	PS 38:2	ME593024	-	-	5.6	816.5751
PS 38:3;	PS 38:3	ME593025	-	-	5.2	814.5594
PS 40:2;	PS 40:2	ME593026	-	-	6.2	844.6063
PS 40:3;	PS 40:3	ME593027	-	-	5.8	842.5914
PS 41:2;	PS 41:2	ME593028	-	-	6.6	858.6226
PS 42:2;	PS 42:2	ME593029	-	-	6.9	872.6378
SM d36:2;	SM 36:2;O2	ME593030	-	-	4.9	729.5905
SM d38:1;	SM 38:1;O2	ME593031	-	-	6.1	759.6379
SM d38:2;	SM 38:2;O2	ME593032	-	-	5.5	757.6218
SM d39:1;	SM 39:1;O2	ME593033	-	-	6.4	773.653
SM d40:0;	SM 40:0;O2	ME593034	-	-	7	789.6823
SM d40:1;	SM 40:1;O2	ME593035	-	-	6.7	787.669
SM d40:2; B	SM 40:2;O2	ME593036	-	-	6.2	785.6536
SM d42:2;	SM 42:2;O2	ME593037	-	-	6.8	813.6848
SQDG 34:3; SQDG 16:0-18:3;	SQDG 34:3	ME593038	-	-	3.9	837.0166
SQDG 36:3; SQDG 18:0-18:3;	SQDG 36:3	ME593039	-	-	4.4	862.5712
SQDG 36:4; SQDG 18:1-18:3;	-	ME593040	-	-	4	860.5561
SQDG 36:5; SQDG 18:2-18:3;	-	ME593041	-	-	3.7	861.01765
SQDG 36:6; SQDG 18:3-18:3;	SQDG 36:6	ME593042	-	-	3.5	856.5244
TAG 24:0;	TG 24:0	ME593043	-	-	4	488.3945
TAG 26:0; TAG 8:0-8:0-10:0;	TG 8:0_8:0_10:0	ME593044	-	-	4.5	518.90345
TAG 28:0;	TG 28:0	ME593045	-	-	5.1	544.4572
TAG 32:0e;	TG O-32:0*	ME593046	-	-	5.1	591.4979
TAG 34:3e; TAG 18:3e-8:0-8:0;	TG O-18:3_8:0_8:0*	ME593047	-	-	4.3	613.4824
TAG 42:3;	TG 42:3	ME593048	-	-	8	737.10685
TAG 44:1;	TG 44:1	ME593049	-	-	9.4	766.6927
TAG 46:1;	TG 46:1	ME593050	-	-	9.9	803.3515667
TAG 46:2;	TG 46:2	ME593051	-	-	9.5	801.3352333
TAG 46:3; A	TG 46:3	ME593052	-	-	9	790.6938
TAG 46:3; B	TG 46:3	ME593053	-	-	9.1	790.6915
TAG 46:4; A	TG 46:4	ME593054	-	-	8.6	788.6794
TAG 46:5;	TG 46:5	ME593055	-	-	8.1	789.13785
TAG 48:1;	TG 48:1	ME593056	-	-	10.4	831.3833667
TAG 48:2;	TG 48:2	ME593057	-	-	10	829.3676333
TAG 48:3;	TG 48:3	ME593058	-	-	9.5	827.3514
TAG 48:4; B	TG 48:4	ME593059	-	-	9.1	825.3366667
TAG 48:5;	TG 48:5	ME593060	-	-	8.7	823.3193
TAG 49:1;	TG 49:1	ME593061	-	-	10.6	845.3992
TAG 49:2;	TG 49:2	ME593062	-	-	10.2	837.2326
TAG 49:3;	TG 49:3	ME593063	-	-	9.8	832.7388
TAG 49:5; TAG 13:1-18:1-18:3;	TG 13:1_18:1_18:3*	ME593064	-	-	7	839.68345
TAG 50:1;	TG 50:1	ME593065	-	-	10.8	859.415
TAG 50:2;	TG 50:2	ME593066	-	-	10.4	857.3987667
TAG 50:3; A	TG 50:3	ME593067	-	-	10	849.23275
TAG 50:3; B	TG 50:3	ME593068	-	-	10.1	855.3832
TAG 50:4;	TG 50:4	ME593069	-	-	9.6	853.3676
TAG 50:5;	TG 50:5	ME593070	-	-	9.2	851.3518
TAG 50:6;	TG 50:6	ME593071	-	-	8.8	843.18565
TAG 51:2;	TG 51:2	ME593072	-	-	10.6	871.4148667
TAG 51:3;	TG 51:3	ME593073	-	-	10.2	869.3989
TAG 51:4;	TG 51:4	ME593074	-	-	9.9	867.383
TAG 51:5;	TG 51:5	ME593075	-	-	9.5	865.3679
TAG 51:6; TAG 15:0-18:3-18:3;	TG 15:0_18:3_18:3	ME593076	-	-	9.1	857.20125
TAG 52:0;	TG 52:0	ME593077	-	-	11.5	891.2973
TAG 52:1;	TG 52:1	ME593078	-	-	11.2	887.4455333
TAG 52:2;	TG 52:2	ME593079	-	-	10.8	885.4299667
TAG 52:3;	TG 52:3	ME593080	-	-	10.5	883.4143667
TAG 52:4;	TG 52:4	ME593081	-	-	10.1	881.3986333
TAG 52:4; TAG 17:1-17:1-18:2;	TG 17:1_17:1_18:2	ME593082	-	-	9.3	877.7221
TAG 52:5;	TG 52:5	ME593083	-	-	9.7	879.3832333
TAG 52:5; TAG 18:1-16:2-18:2;	TG 16:2_18:1_18:2	ME593084	-	-	8.9	875.7141
TAG 52:6;	TG 52:6	ME593085	-	-	9.4	877.3673667
TAG 52:6; TAG 16:0-18:3-18:3;	TG 16:0_18:3_18:3	ME593086	-	-	9.3	877.3675
TAG 52:6; TAG 16:1-18:2-18:3;	TG 16:1_18:2_18:3	ME593087	-	-	9.3	871.2172
TAG 52:7; TAG 16:1-18:3-18:3;	TG 16:1_18:3_18:3	ME593088	-	-	8.9	869.20135
TAG 53:0;	TG 53:0	ME593089	-	-	11.7	894.8484
TAG 53:1;	TG 53:1	ME593090	-	-	11.4	892.8316
TAG 53:2;	TG 53:2	ME593091	-	-	11	899.4464333
TAG 53:3;	TG 53:3	ME593092	-	-	10.7	897.4304667
TAG 53:4;	TG 53:4	ME593093	-	-	10.3	895.4143667
TAG 53:5;	TG 53:5	ME593094	-	-	9.9	893.3986667
TAG 53:6; TAG 17:0-18:3-18:3;	TG 17:0_18:3_18:3	ME593095	-	-	9.6	882.7549
TAG 53:6; TAG 17:1-18:2-18:3;	TG 17:1_18:2_18:3	ME593096	-	-	9.5	885.23255
TAG 53:7; TAG 17:2-18:2-18:3;	TG 17:2_18:2_18:3	ME593097	-	-	9.1	883.2168
TAG 53:8; TAG 17:2-18:3-18:3;	TG 17:2_18:3_18:3	ME593098	-	-	8.7	881.20115
TAG 54:0; TAG 18:0-18:0-18:0;	TG 18:0/18:0/18:0	ME593099	-	-	11.9	911.34265
TAG 54:1;	TG 54:1	ME593100	-	-	11.6	915.4763333
TAG 54:2;	TG 54:2	ME593101	-	-	11.2	913.4615
TAG 54:3;	TG 54:3	ME593102	-	-	10.8	911.4454667
TAG 54:4;	TG 54:4	ME593103	-	-	10.5	909.4299
TAG 54:5; A	TG 54:5	ME593104	-	-	10.1	907.4140333
TAG 54:5; B	TG 54:5	ME593105	-	-	10.3	898.7858
TAG 54:5; TAG 18:0-18:2-18:3;	TG 18:0_18:2_18:3	ME593106	-	-	10.2	901.26375
TAG 54:6; A	TG 54:6	ME593107	-	-	9.7	909.71175
TAG 54:6; B	TG 54:6	ME593108	-	-	9.8	905.3982333
TAG 54:6; C	TG 54:6	ME593109	-	-	10	905.399
TAG 54:7; A	TG 54:7	ME593110	-	-	9.3	903.3827333
TAG 54:8;	TG 54:8	ME593111	-	-	9	913.6675
TAG 54:8; TAG 18:2-18:3-18:3;	TG 18:2_18:3_18:3	ME593112	-	-	9	895.21645
TAG 54:9;	TG 54:9	ME593113	-	-	8.6	893.2011
TAG 55:1;	TG 55:1	ME593114	-	-	11.7	920.8644
TAG 55:2;	TG 55:2	ME593115	-	-	11.4	918.8485
TAG 55:3;	TG 55:3	ME593116	-	-	11.1	916.8324
TAG 55:5; TAG 19:1-18:2-18:2;	TG 18:2_18:2_19:1	ME593117	-	-	10.3	912.8022
TAG 55:6; TAG 19:1-18:2-18:3;	TG 18:2_18:3_19:1	ME593118	-	-	10	910.7864
TAG 56:0;	TG 56:0	ME593119	-	-	11.9	936.8928
TAG 56:1; TAG 16:0-22:0-18:1;	TG 16:0_18:1_22:0	ME593120	-	-	11.9	934.8801
TAG 56:2;	TG 56:2	ME593121	-	-	11.6	941.4928667
TAG 56:3	TG 56:3	ME593122	-	-	10.8	930.8473
TAG 56:3;	TG 56:3	ME593123	-	-	11.2	939.4771
TAG 56:4;	TG 56:4	ME593124	-	-	10.9	939.29795
TAG 56:4; TAG 18:1-20:1-18:2;	TG 18:1_18:2_20:1	ME593125	-	-	10.5	928.8319
TAG 56:4; TAG 20:0-18:1-18:3;	TG 18:1_18:3_20:0	ME593126	-	-	10.9	933.7879
TAG 56:4; TAG 20:0-18:2-18:2;	TG 18:2_18:2_20:0	ME593127	-	-	10.9	928.8331
TAG 56:5; A	TG 56:5	ME593128	-	-	10.5	935.4461667
TAG 56:5; B	TG 56:5	ME593129	-	-	10.6	935.4456333
TAG 56:5; TAG 18:1-18:2-20:2;	TG 18:1_18:2_20:2	ME593130	-	-	10.1	926.8163
TAG 56:6;	TG 56:6	ME593131	-	-	10.3	933.4302667
TAG 56:6; TAG 20:1-18:2-18:3;	TG 18:2_18:3_20:1	ME593132	-	-	10.2	927.27895
TAG 56:7; A	TG 56:7	ME593133	-	-	10	925.26375
TAG 56:8; A	TG 56:8	ME593134	-	-	9.6	920.771
TAG 56:8; TAG 18:2-18:3-20:3;	TG 18:2_18:3_20:3	ME593135	-	-	9.4	920.7698
TAG 57:2;	TG 57:2	ME593136	-	-	11.8	946.8804
TAG 57:4; TAG 21:0-18:2-18:2;	TG 18:2_18:2_21:0	ME593137	-	-	11.1	945.3268
TAG 57:5; TAG 21:0-18:2-18:3;	TG 18:2_18:3_21:0	ME593138	-	-	10.8	940.8323
TAG 58:1; TAG 16:0-24:0-18:1;	TG 16:0_18:1_24:0	ME593139	-	-	12	962.911
TAG 58:2; TAG 16:0-24:0-18:2;	TG 16:0_18:2_24:0	ME593140	-	-	11.9	963.3739
TAG 58:3;	TG 58:3	ME593141	-	-	11.6	967.5083667
TAG 58:4;	TG 58:4	ME593142	-	-	11.3	965.4929333
TAG 58:5; TAG 22:0-18:2-18:3;	TG 18:2_18:3_22:0	ME593143	-	-	11	957.3267
TAG 58:6;	TG 58:6	ME593144	-	-	10.7	963.297
TAG 58:6; TAG 22:0-18:3-18:3;	TG 18:3_18:3_22:0	ME593145	-	-	10.7	955.311
TAG 59:2; TAG 23:0-18:1-18:1;	TG 18:1_18:1_23:0	ME593146	-	-	12	974.9114
TAG 59:3;	TG 59:3	ME593147	-	-	11.8	975.3739
TAG 59:4; TAG 23:0-18:2-18:2;	TG 18:2_18:2_23:0	ME593148	-	-	11.5	973.35835
TAG 59:5; TAG 23:0-18:2-18:3;	TG 18:2_18:3_23:0	ME593149	-	-	11.2	968.8653
TAG 59:6; TAG 23:0-18:3-18:3;	TG 18:3_18:3_23:0	ME593150	-	-	10.9	966.8488
TAG 60:2; TAG 20:0-22:0-18:2;	TG 18:2_20:0_22:0	ME593151	-	-	12	988.9272
TAG 60:3; TAG 24:0-18:1-18:2;	TG 18:1_18:2_24:0	ME593152	-	-	11.9	989.3893
TAG 60:4; TAG 24:0-18:1-18:3;	TG 18:1_18:3_24:0	ME593153	-	-	11.7	987.3737
TAG 60:5;	TG 60:5	ME593154	-	-	11.3	982.8789
TAG 60:5; TAG 24:0-18:2-18:3;	TG 18:2_18:3_24:0	ME593155	-	-	11.4	985.3581
TAG 60:6;	TG 60:6	ME593156	-	-	11.1	989.4932333
TAG 61:3; TAG 25:0-18:1-18:2;	TG 18:1_18:2_25:0	ME593157	-	-	12	1000.9269
TAG 61:4; TAG 25:0-18:2-18:2;	TG 18:2_18:2_25:0	ME593158	-	-	11.8	998.9112
TAG 62:3;	TG 62:3	ME593159	-	-	11.9	1014.9367

Analysis: Reversed phase NEGATIVE ION MODE

Metabolite Name	RefMet Name/Standardized Name*	WorkBench Metabolite_ID	PubChem Compound_ID	Kegg Id	Retention time/index	m/z ratio
1_5-PAHSA-d9 iSTD	-	ME593160	-	-	6.3	546.5455
1_Ceramide d18:1/17:0; iSTD	-	ME593161	-	-	5.9	586.4976_610.5417
1_CUDA iSTD	-	ME593162	-	-	0.6	339.2651
1_FA 16:0-d3; iSTD	-	ME593163	-	-	2.4	258.2516
1_LPC 17:0; iSTD	-	ME593164	-	-	1.8	568.3622
1_LPE 17:1; iSTD	-	ME593165	-	-	1.3	464.278
1_MAG 17:0/0:0/0:0; iSTD	-	ME593166	-	-	3	403.3063
1_PC 12:0/13:0; iSTD	-	ME593167	-	-	3.5	694.4671
1_PE 17:0/17:0; iSTD	-	ME593168	-	-	6.2	718.54
1_PG 17:0/17:0; iSTD	-	ME593169	-	-	5	749.5344
1_PI (15:0-18:1)-d7? iSTD	-	ME593170	-	-	4.2	828.5629
1_SM d18:1/17:0; iSTD	-	ME593171	-	-	5.1	775.5977
AcylGlcADG 50:2; AcylGlcADG 16:0-16:0-18:2;	-	ME593172	-	-	7.5	1005.7622
AcylGlcADG 50:3; AcylGlcADG 16:0-16:0-18:3;	-	ME593173	-	-	7.1	1003.7458
AcylGlcADG 52:4; AcylGlcADG 16:0-18:2-18:2;	-	ME593174	-	-	7.1	1029.7622
AcylGlcADG 52:5; AcylGlcADG 16:0-18:2-18:3;	-	ME593175	-	-	6.7	1027.7473
Ceramide-AP t34:0; Ceramide-AP t18:0/16:0;	-	ME593182	-	-	5	570.5102_606.4876
Ceramide-AP t34:1; Ceramide-AP t18:1/16:0;	-	ME593183	-	-	4.7	614.5005_568.4947
Ceramide-AP t35:1; Ceramide-AP t19:1/16:0;	-	ME593184	-	-	4.7	628.5161
Ceramide-AP t38:1; Ceramide-AP t18:1/20:0;	-	ME593185	-	-	5.9	624.5576
Ceramide-AP t39:1; Ceramide-AP t19:1/20:0;	-	ME593186	-	-	5.9	684.579
Ceramide-AP t40:1; Ceramide-AP t18:1/22:0;	-	ME593187	-	-	6.6	698.5947_652.5889
Ceramide-AP t41:1; Ceramide-AP t18:1/23:0;	-	ME593188	-	-	7	712.6105_666.6045
Ceramide-AP t41:1; Ceramide-AP t19:1/22:0;	-	ME593189	-	-	6.6	712.6103
Ceramide-AP t42:0; Ceramide-AP t18:0/24:0;	-	ME593190	-	-	7.6	682.6358
Ceramide-AP t42:1; Ceramide-AP t18:1/24:0;	-	ME593191	-	-	7.3	726.6262_680.6201
Ceramide-AP t42:1; Ceramide-AP t19:1/23:0;	-	ME593192	-	-	7	726.6271
Ceramide-AP t42:2; Ceramide-AP t18:1/24:1;	-	ME593193	-	-	6.6	724.6104_678.6044
Ceramide-AP t43:0; Ceramide-AP t19:0/24:0;	-	ME593194	-	-	7.6	742.6569
Ceramide-AP t43:1; Ceramide-AP t18:1/25:0;	-	ME593195	-	-	7.6	740.6419_694.6359
Ceramide-AP t43:1; Ceramide-AP t19:1/24:0;	-	ME593196	-	-	7.3	740.6418
Ceramide-AP t43:2; Ceramide-AP t19:1/24:1;	-	ME593197	-	-	6.6	738.6263
Ceramide-AP t44:1; Ceramide-AP t18:1/26:0;	-	ME593198	-	-	7.9	754.6574_708.6517
Ceramide-AP t44:1; Ceramide-AP t19:1/25:0;	-	ME593199	-	-	7.6	754.6576
Ceramide-AP t44:2; Ceramide-AP t18:1/26:1;	-	ME593200	-	-	7.2	706.6357_766.6582
Ceramide-AP t45:1; Ceramide-AP t18:1/27:0;	-	ME593201	-	-	8.2	722.6675_782.6895
Ceramide-AP t45:1; Ceramide-AP t19:1/26:0;	-	ME593202	-	-	7.9	768.673
Ceramide-AS d34:1; Ceramide-AS d18:1/16:0;	-	ME593203	-	-	5.2	552.4998_612.5209
Ceramide d34:0;	Cer 34:0;O2	ME593176	-	-	5.8	574.4975
Ceramide d34:1;	Cer 34:1;O2	ME593177	-	-	5.6	572.4818_596.5263
Ceramide d39:1;	Cer 39:1;O2	ME593178	-	-	7.3	666.6038
Ceramide d40:1;	Cer 40:1;O2	ME593179	-	-	7.6	680.6201
Ceramide d41:1;	Cer 41:1;O2	ME593180	-	-	7.9	694.6361
Ceramide d42:1;	Cer 42:1;O2	ME593181	-	-	8.2	708.6517
Ceramide-NP t34:1; Ceramide-NP t18:1/16:0;	-	ME593204	-	-	4.9	598.5058
Ceramide-NP t40:1; Ceramide-NP t18:1/22:0;	-	ME593205	-	-	6.9	682.5996
Ceramide-NP t41:1; Ceramide-NP t18:1/23:0;	-	ME593206	-	-	7.2	696.6152
Ceramide-NP t42:0; Ceramide-NP t18:0/24:0;	-	ME593207	-	-	7.9	712.6467
Ceramide-NP t42:1; Ceramide-NP t18:1/24:0;	-	ME593208	-	-	7.6	710.6312_664.6248
Ceramide-NP t42:2; Ceramide-NP t18:1/24:1;	-	ME593209	-	-	6.9	708.6152
Ceramide-NP t44:1; Ceramide-NP t18:1/26:0;	-	ME593210	-	-	8.2	738.6624
Ceramide-NS d42:1; Ceramide-NS d18:1/24:0;	-	ME593211	-	-	8.2	694.6361
DLCL 36:6;	DLCL 36:6	ME593212	-	-	3.3	919.486
FA 18:1; (oleic acid)	Oleic acid	ME593213	-	-	2.6	281.2484
FA 18:2; (linoleic acid)	Linoleic acid	ME593214	-	-	2	279.2328
FA 18:3; (linolenic acid)	Octadecatrienoic acid	ME593215	-	-	1.5	277.2171
FA 20:0; (arachidic acid)	Arachidic acid	ME593216	-	-	4.8	311.2955
FA 20:1; (eicosenoic acid)	Eicosenoic acid	ME593217	-	-	3.3	309.2799
FA 20:2; (eicosadienoic acid)	Eicosadienoic acid	ME593218	-	-	2.8	307.2642
FA 20:3; (homo-gamma-linolenic acid)	Dihomo-gamma-linolenic acid	ME593219	-	-	2.3	305.2485
FA 20:4; (arachidonic acid)	Arachidonic acid	ME593220	-	-	1.8	303.2328
FA 20:5; (eicosapentaenoic acid)	Eicosapentaenoic acid	ME593221	-	-	1.4	301.2171
FA 21:0;	Heneicosylic acid	ME593222	-	-	4.1	325.3111
FA 22:0;	Behenic acid	ME593223	-	-	5.4	339.3267
FA 22:1; (erucic acid)	cis-Erucic acid	ME593224	-	-	3.8	337.3112
FA 22:2; (docosadienoic acid)	Docosadienoic acid	ME593225	-	-	3.4	335.2957
FA 23:0;	Tricosylic acid	ME593226	-	-	4.8	353.3426
FA 24:0;	Lignoceric acid	ME593227	-	-	6.1	367.358
FA 24:1; (nervonic acid)	Nervonic acid	ME593228	-	-	4.4	365.3423
FA 24:2;	Tetracosadienoic acid	ME593229	-	-	4	363.327
FA 26:0; (cerotic acid)	Cerotic acid	ME593230	-	-	5.9	395.3891
FA 26:1;	Hexacosenoic acid	ME593231	-	-	5.1	393.3738
FA 26:2;	Hexacosadienoic acid	ME593232	-	-	4.6	391.3583
FA 26:3;	Hexacosatrienoic acid	ME593233	-	-	4.2	389.3424
FA 27:0;	Carboceric acid	ME593234	-	-	6.2	409.4051
FA 28:0; (montanic acid)	Montanic acid	ME593235	-	-	6.6	423.4209
FA 29:0;	Nonacosylic acid	ME593236	-	-	7	437.4363
FA 30:0;	Melissic acid	ME593237	-	-	7.4	451.4521
FA 31:0;	Hentriacontylic acid	ME593238	-	-	7.7	465.4676
FA 32:0;	Lacceroic acid	ME593239	-	-	8.1	479.4833
FA 32:1;	Dotriacontenoic acid	ME593240	-	-	7.3	477.4679
FA 34:0;	Gheddic acid	ME593241	-	-	8.8	507.5145
FA 34:1;	Tetratriacontenoic acid	ME593242	-	-	8.1	505.4993
FA 34:2;	Tetratriacontadienoic acid	ME593243	-	-	7.4	503.4836
FA 34:3;	Tetratriacontatrienoic acid	ME593244	-	-	6.9	501.4677
FA 36:0;	Hexatriacontylic acid	ME593245	-	-	9.4	535.5462
FA 36:1;	-	ME593246	-	-	8.7	533.5304
FA 36:2;	-	ME593247	-	-	8.2	531.5147
FA 36:3;	-	ME593248	-	-	7.6	529.4991
FA 37:0;	Heptatriacontanoic acid	ME593249	-	-	9.6	549.5619
FA 38:0;	Octatriacontanoic acid	ME593250	-	-	10	563.5773
FA 38:1;	-	ME593251	-	-	9.3	561.5618
FA 38:2;	-	ME593252	-	-	8.8	559.5462
FA 40:1;	-	ME593253	-	-	9.9	589.5934
FA 42:1;	-	ME593254	-	-	10.4	617.6248
FA 44:10;	FA 44:10	ME593255	-	-	6.8	627.5207
GlcADG 34:2; GlcADG 16:0-18:2;	-	ME593256	-	-	4.2	767.5323
GlcADG 34:3; GlcADG 16:0-18:3;	-	ME593257	-	-	3.9	765.5164
GlcADG 36:4; GlcADG 18:2-18:2;	-	ME593258	-	-	3.9	791.5317
GlcCerd14:14E/20:02OH;	-	ME593260	-	-	4.8	750.5298_774.5740
GlcCer d40:1;	GlcCer 40:1;O2	ME593259	-	-	6.9	842.6739
HBMP 52:4; HBMP 16:0-18:2-18:2;	-	ME593261	-	-	6.9	1007.7336
HBMP 52:5; HBMP 16:0-18:2-18:3;	-	ME593262	-	-	6.6	1005.7177
HexCer-AP t34:1; HexCer-AP t18:1/16:0;	HexCer 18:1;O3/16:0*	ME593263	-	-	4.2	776.554_730.5482
HexCer-AP t36:1; HexCer-AP t18:1/18:0;	HexCer 18:1;O3/18:0*	ME593264	-	-	4.8	758.5798_794.5561
HexCer-AP t38:1; HexCer-AP t18:1/20:0;	HexCer 18:1;O3/20:0*	ME593265	-	-	5.4	786.611
HexCer-AP t39:1; HexCer-AP t18:1/21:0;	HexCer 18:1;O3/21:0*	ME593266	-	-	5.8	800.6265
HexCer-AP t40:1; HexCer-AP t18:1/22:0;	HexCer 18:1;O3/22:0*	ME593267	-	-	6.1	860.6478_814.6423
HexCer-AP t41:1; HexCer-AP t18:1/23:0;	HexCer 18:1;O3/23:0*	ME593268	-	-	6.4	828.6581
HexCer-AP t42:1; HexCer-AP t18:1/24:0;	HexCer 18:1;O3/24:0*	ME593269	-	-	6.8	888.679_842.6733
HexCer-AP t42:2; HexCer-AP t18:1/24:1;	HexCer 18:1;O3/24:1*	ME593270	-	-	6.1	840.6575_900.6797
HexCer-AP t43:1; HexCer-AP t18:1/25:0;	HexCer 18:1;O3/25:0*	ME593271	-	-	7.1	856.6891_892.6657
HexCer-AP t44:1; HexCer-AP t18:1/26:0;	HexCer 18:1;O3/26:0*	ME593272	-	-	7.4	916.7106_870.7043
HexCer-AP t45:1; HexCer-AP t18:1/27:0;	HexCer 18:1;O3/27:0*	ME593273	-	-	7.7	884.7206_944.7418
Juniperic acid	Juniperic acid	ME593274	-	-	0.8	271.2278
LPC 14:0;	LPC 14:0	ME593275	-	-	1	526.315
LPC 16:0;	LPC 16:0	ME593276	-	-	1.4	480.3093_540.3307
LPC 18:0;	LPC 18:0	ME593277	-	-	2.2	568.3621
LPC 18:0; B	LPC 18:0	ME593278	-	-	2.2	582.3777
LPC 18:1;	LPC 18:1	ME593279	-	-	1.6	580.3622_566.3466
LPC 18:2 a	LPC 18:2	ME593280	-	-	1.2	564.331
LPC 18:2 b	LPC 18:2	ME593281	-	-	1.2	578.3466
LPC 20:2;	LPC 20:2	ME593282	-	-	1.7	606.3771
LPC 20:3;	LPC 20:3	ME593283	-	-	1.4	604.3623
LPC 22:5;	LPC 22:5	ME593284	-	-	1.3	628.3634
LPE 16:0;	LPE 16:0	ME593285	-	-	1.5	452.2783
LPE 17:1;	LPE 17:1	ME593286	-	-	1.9	464.2783
LPE 18:0;	LPE 18:0	ME593287	-	-	2.2	480.3096
LPE 18:2;	LPE 18:2	ME593288	-	-	1.2	476.2783
LPE 18:3;	LPE 18:3	ME593289	-	-	0.9	474.2625
LPE 20:0;	LPE 20:0	ME593290	-	-	3.1	508.3401
LPE 20:4;	LPE 20:4	ME593291	-	-	1.2	500.2785
LPE 22:0;	LPE 22:0	ME593292	-	-	3.6	536.3723
LPE 24:0;	LPE 24:0	ME593293	-	-	4.1	564.4036
LPG 16:0;	LPG 16:0	ME593294	-	-	1	483.273
LPG 16:1;	LPG 16:1	ME593295	-	-	0.8	481.2573
LPG 18:2;	LPG 18:2	ME593296	-	-	0.7	507.2725
LPI 16:0;	LPI 16:0	ME593297	-	-	0.8	571.2888
LPI 18:2;	LPI 18:2	ME593298	-	-	0.7	595.2892
MGDG 34:2; MGDG 16:0-18:2;	MGDG 16:0_18:2	ME593299	-	-	5.5	799.559
MGDG 34:3; MGDG 16:0-18:3;	MGDG 16:0_18:3	ME593300	-	-	5.1	797.5433
MGDG 36:4; MGDG 18:1-18:3;	MGDG 18:1_18:3	ME593301	-	-	5.1	823.5588
MGDG 36:5; MGDG 18:2-18:3;	MGDG 18:2_18:3	ME593302	-	-	4.7	821.5432
MGDG 36:6; MGDG 18:3-18:3;	-	ME593303	-	-	4.3	819.5278
MGDG 46:0;	MGDG 46:0	ME593304	-	-	10.1	971.7931
OxPC 34:2+1O; OxPC 16:0-18:2+1O;	-	ME593305	-	-	3.7	818.5566
PC 32:0;	PC 32:0	ME593306	-	-	5.5	792.5768
PC 32:0; PC 16:0-16:0;	PC 16:0/16:0	ME593307	-	-	5.5	778.561
PC 32:1;	PC 32:1	ME593308	-	-	4.9	790.5613
PC 32:1; PC 16:0-16:1;	PC 16:0_16:1	ME593309	-	-	4.9	776.546
PC 32:2;	PC 32:2	ME593310	-	-	4.5	788.5457
PC 33:2;	PC 33:2	ME593311	-	-	4.8	802.5616
PC 33:3e; PC 28:3e/5:0;	PC O-28:3/5:0*	ME593312	-	-	4.5	772.5589
PC 34:1;	PC 34:1	ME593313	-	-	5.5	818.5925
PC 34:2;	PC 34:2	ME593314	-	-	5.1	816.5768_802.5614
PC 34:3;	PC 34:3	ME593315	-	-	4.6	790.5165_814.5611
PC 34:3; PC 16:0-18:3;	PC 16:0_18:3	ME593316	-	-	4.7	800.5459
PC 34:4;	PC 34:4	ME593317	-	-	4.4	812.5474
PC 35:1;	PC 35:1	ME593318	-	-	5.9	832.6077
PC 35:2;	PC 35:2	ME593319	-	-	5.3	830.592
PC 35:4;	PC 35:4	ME593320	-	-	4.7	826.5614
PC 36:1;	PC 36:1	ME593321	-	-	6.2	846.624
PC 36:1; PC 18:0-18:1;	PC 18:0_18:1	ME593322	-	-	6.2	832.6085
PC 36:2;	PC 36:2	ME593323	-	-	5.6	844.6085
PC 36:2; PC 18:1-18:1;	PC 18:1/18:1	ME593324	-	-	5.6	830.593
PC 36:3; A	PC 36:3	ME593325	-	-	5.1	842.5924
PC 36:3; B	PC 36:3	ME593326	-	-	5.2	842.5924
PC 36:3; PC 16:0-20:3;	PC 16:0_20:3	ME593327	-	-	5.2	768.5538_828.5772
PC 36:3; PC 18:1-18:2;	PC 18:1_18:2	ME593328	-	-	5.1	828.5772
PC 36:4; A	PC 36:4	ME593329	-	-	4.7	840.577
PC 36:4; B	PC 36:4	ME593330	-	-	5	840.5767
PC 36:5; A	PC 36:5	ME593331	-	-	4.3	838.5613
PC 36:5; B	PC 36:5	ME593332	-	-	4.6	838.5612
PC 36:5; PC 18:2-18:3;	PC 18:2_18:3	ME593333	-	-	4.3	824.5459
PC 36:6; PC 18:3-18:3;	PC 18:3/18:3	ME593334	-	-	4	822.5305
PC 37:1;	PC 37:1	ME593335	-	-	5.4	846.6321
PC 37:2;	PC 37:2	ME593336	-	-	6	858.6239
PC 37:4;	PC 37:4	ME593337	-	-	5.2	854.5903
PC 38:3;	PC 38:3	ME593338	-	-	5.9	870.6238
PC 38:3; PC 18:0-20:3;	PC 18:0_20:3	ME593339	-	-	5.8	856.6085
PC 38:4; PC 18:0-20:4;	PC 18:0_20:4	ME593340	-	-	5.6	854.5925
PC 39:1;	PC 39:1	ME593341	-	-	6.1	874.6636
PC 40:4;	PC 40:4	ME593342	-	-	6.1	896.6403
PC 40:6; B	PC 40:6	ME593343	-	-	5.4	892.6082
PC 41:1;	PC 41:1	ME593344	-	-	6.8	902.6953
PC 43:1;	PC 43:1	ME593345	-	-	7.4	930.7268
PE 32:2; PE 14:0-18:2;	PE 14:0_18:2	ME593346	-	-	4.6	686.4774
PE 32:3; PE 14:0-18:3;	PE 14:0_18:3	ME593347	-	-	4.2	684.4616
PE 33:2; PE 15:0-18:2;	PE 15:0_18:2	ME593348	-	-	4.9	700.4929
PE 34:1;	PE 34:1	ME593349	-	-	5.6	716.5244
PE 34:2;	PE 34:2	ME593350	-	-	5.2	714.5087
PE 34:3; PE 16:0-18:3;	PE 16:0_18:3	ME593351	-	-	4.7	712.493
PE 35:2; PE 17:0-18:2;	PE 17:0_18:2	ME593352	-	-	5.5	728.5245
PE 36:1;	PE 36:1	ME593353	-	-	5.5	744.5493_804.5771
PE 36:2;	PE 36:2	ME593354	-	-	5.8	742.5402
PE 36:3;	PE 36:3	ME593355	-	-	5.2	740.5247
PE 36:3; PE 18:0-18:3;	PE 18:0_18:3	ME593356	-	-	5.4	740.5245
PE 36:4;	PE 36:4	ME593357	-	-	5.1	738.5085
PE 36:4; PE 18:2-18:2;	PE 18:2/18:2	ME593358	-	-	4.8	738.509
PE 36:5; PE 18:2-18:3;	PE 18:2_18:3	ME593359	-	-	4.4	736.4933
PE 36:6; PE 18:3-18:3;	PE 18:3/18:3	ME593360	-	-	4.1	734.4774
PE 38:2;	PE 38:2	ME593361	-	-	5.7	770.5735_830.5930
PE 38:2; PE 20:0-18:2;	PE 18:2_20:0	ME593362	-	-	6.4	770.5711
PE 38:3; PE 20:0-18:3;	PE 18:3_20:0	ME593363	-	-	6	768.5559
PE 38:4; PE 18:2-20:2;	PE 18:2_20:2	ME593364	-	-	5.3	766.54
PE 38:5; PE 20:2-18:3;	PE 18:3_20:2	ME593365	-	-	4.9	764.525
PE 40:2; PE 22:0-18:2;	PE 18:2_22:0	ME593366	-	-	7.1	798.6027
PE 40:3; PE 22:0-18:3;	PE 18:3_22:0	ME593367	-	-	6.6	796.5867
PE 40:6; PE 18:0-22:6;	PE 18:0_22:6	ME593368	-	-	5.5	790.5394
PE 41:2; PE 23:0-18:2;	PE 18:2_23:0	ME593369	-	-	7.4	812.6185
PE 42:1; PE 24:0-18:1;	PE 18:1_24:0	ME593370	-	-	8.2	828.6505
PE 42:2; PE 24:0-18:2;	PE 18:2_24:0	ME593371	-	-	7.7	826.6343
PE 42:3; PE 24:0-18:3;	PE 18:3_24:0	ME593372	-	-	7.3	824.6189
PE 42:4; PE 24:1-18:3;	PE 18:3_24:1	ME593373	-	-	6.6	822.6023
PE 43:2; PE 25:0-18:2;	PE 18:2_25:0	ME593374	-	-	8	840.6499
PG 31:1; PG 16:0-15:1;	PG 15:1_16:0	ME593375	-	-	4	705.4718
PG 31:2; PG 15:1-16:1;	PG 15:1_16:1	ME593376	-	-	3.9	703.4561
PG 32:0; PG 16:0-16:0;	PG 16:0/16:0	ME593377	-	-	4.5	721.5033
PG 32:1; PG 16:0-16:1;	PG 16:0_16:1	ME593378	-	-	4.3	719.4877
PG 32:2; PG 16:1-16:1;	PG 16:1/16:1	ME593379	-	-	3.9	717.4721
PG 33:1; PG 17:0-16:1;	PG 16:1_17:0	ME593380	-	-	4.6	733.5035
PG 34:1; PG 16:0-18:1;	PG 16:0_18:1	ME593381	-	-	4.6	747.5192
PG 34:1; PG 18:0-16:1;	PG 16:1_18:0	ME593382	-	-	4.8	747.5192
PG 34:2; PG 16:0-18:2;	PG 16:0_18:2	ME593383	-	-	4.2	745.5035
PG 34:3; PG 16:0-18:3;	PG 16:0_18:3	ME593384	-	-	3.9	743.4877
PG 34:4; PG 16:1-18:3;	PG 16:1_18:3	ME593385	-	-	3.8	741.472
PG 36:3; PG 18:1-18:2;	PG 18:1_18:2	ME593386	-	-	4.3	771.519
PG 36:4; PG 18:2-18:2;	PG 18:2/18:2	ME593387	-	-	3.9	769.5032
PG 36:5; PG 18:2-18:3;	PG 18:2_18:3	ME593388	-	-	3.7	767.4877
PG 36:6; PG 18:3-18:3;	PG 18:3/18:3	ME593389	-	-	3.4	765.4721
PI 32:1; PI 14:0-18:1;	PI 14:0_18:1	ME593390	-	-	4	807.5041
PI 32:2; PI 14:0-18:2;	PI 14:0_18:2	ME593391	-	-	3.7	805.4882
PI 33:2; PI 15:0-18:2;	PI 15:0_18:2	ME593392	-	-	3.9	819.5038
PI 33:3; PI 15:0-18:3;	PI 15:0_18:3	ME593393	-	-	3.6	817.4883
PI 34:1; PI 16:0-18:1;	PI 16:0_18:1	ME593394	-	-	4.4	835.5354
PI 34:2; PI 16:0-18:2;	PI 16:0_18:2	ME593395	-	-	4.1	833.5195
PI 34:3; PI 16:0-18:3;	PI 16:0_18:3	ME593396	-	-	3.8	831.504
PI 35:2; PI 17:0-18:2;	PI 17:0_18:2	ME593397	-	-	4.3	847.5346
PI 36:1; PI 18:0-18:1;	PI 18:0_18:1	ME593398	-	-	4.9	863.5664
PI 36:2; PI 18:0-18:2;	PI 18:0_18:2	ME593399	-	-	4.5	861.5508
PI 36:3; PI 18:0-18:3;	PI 18:0_18:3	ME593400	-	-	4.2	859.5353
PI 36:4; PI 18:2-18:2;	PI 18:2/18:2	ME593401	-	-	3.8	857.5194
PI 36:5; PI 18:2-18:3;	PI 18:2_18:3	ME593402	-	-	3.6	855.5036
PI 36:6; PI 18:3-18:3;	PI 18:3/18:3	ME593403	-	-	3.3	853.488
PI 38:3; PI 18:0-20:3;	PI 18:0_20:3	ME593404	-	-	4.7	887.5664
PMeOH 34:2; PMeOH 16:0-18:2;	-	ME593405	-	-	4.4	685.482
PMeOH 34:3; PMeOH 16:0-18:3;	-	ME593406	-	-	4.1	683.4662
PMeOH 36:5; PMeOH 18:2-18:3;	-	ME593407	-	-	3.8	707.4663
PMeOH 36:6; PMeOH 18:3-18:3;	-	ME593408	-	-	3.6	705.4509
PS 34:2; PS 16:0-18:2;	PS 16:0_18:2	ME593409	-	-	4.2	758.498
PS 34:3; PS 16:0-18:3;	PS 16:0_18:3	ME593410	-	-	3.9	756.4828
PS 36:2; PS 18:0-18:2;	PS 18:0_18:2	ME593411	-	-	4.6	786.5302
PS 38:3; PS 20:0-18:3;	PS 18:3_20:0	ME593412	-	-	4.8	812.5456
PS 40:2; PS 22:0-18:2;	PS 18:2_22:0	ME593413	-	-	5.9	842.5925
PS 42:2; PS 24:0-18:2;	PS 18:2_24:0	ME593414	-	-	6.6	870.6236
SM d38:1;	SM 38:1;O2	ME593415	-	-	6	817.6452
SM d39:1;	SM 39:1;O2	ME593416	-	-	6.4	831.661
SM d40:1;	SM 40:1;O2	ME593417	-	-	6.7	845.6761
SM d42:1;	SM 42:1;O2	ME593418	-	-	7.4	873.7075
SQDG 30:0; SQDG 14:0-16:0;	-	ME593419	-	-	3.8	765.4836
SQDG 31:1; SQDG 16:0-15:1;	-	ME593420	-	-	3.8	777.4838
SQDG 32:0; SQDG 16:0-16:0;	-	ME593421	-	-	4.3	793.5149
SQDG 32:1; SQDG 16:0-16:1;	-	ME593422	-	-	3.9	791.499
SQDG 32:3; SQDG 14:0-18:3;	-	ME593423	-	-	3.4	787.4681
SQDG 33:1;	SQDG 33:1	ME593424	-	-	4.1	805.5125
SQDG 33:3;	SQDG 33:3	ME593425	-	-	3.6	801.4838
SQDG 34:2; SQDG 16:0-18:2;	-	ME593426	-	-	4	817.5151
SQDG 34:3; SQDG 16:0-18:3;	SQDG 34:3	ME593427	-	-	3.7	815.4993
SQDG 34:4; SQDG 16:1-18:3;	-	ME593428	-	-	3.5	813.4839
SQDG 35:3; SQDG 17:0-18:3;	-	ME593429	-	-	4	829.515
SQDG 36:3; SQDG 18:0-18:3;	SQDG 36:3	ME593430	-	-	4.1	843.5305
SQDG 36:4; SQDG 18:1-18:3;	-	ME593431	-	-	3.8	841.5148
SQDG 36:5; SQDG 18:2-18:3;	-	ME593432	-	-	3.5	839.4993
SQDG 36:6; SQDG 18:3-18:3;	SQDG 36:6	ME593433	-	-	3.3	837.4835
SQDG 38:6;	SQDG 38:6	ME593434	-	-	3.6	865.5153

Analysis: Normal phase POSITIVE ION MODE

Metabolite Name	RefMet Name/Standardized Name*	WorkBench Metabolite_ID	PubChem Compound_ID	Kegg Id	Retention time/index	m/z ratio
11-Ketofusidic acid	-	ME593495	-	-	3.87	437.309
1,2-Dilinoleoylglycerol	-	ME593480	-	-	6.851	617.5198
1_2-hydroxyfluorene-d9 iSTD_[M+H]+_ZDOIAPGLORMKTR-...	-	ME593484	-	-	ESI (+)	[M+H]+
13-cis-Retinal	-	ME593496	-	-	5.156	285.2242
1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetra...	-	ME593481	-	-	5.83	315.1983
1-(4-Ethoxycarbonylphenyl)-2-(4-fluorobenzylthio)-...	-	ME593479	-	-	2.908	521.1679
1,5-Dicaffeoylquinic acid	-	ME593482	-	-	2.643	499.128
15-Ketoprostaglandin A1	-	ME593497	-	-	5.561	335.2224
15-Ketoprostaglandin E2	15-Keto-PGE2	ME593498	-	-	4.708	351.2175
16,16-Dimethylprostaglandin A2	-	ME593499	-	-	5.985	309.2242
17.alpha.-Nandrolone	-	ME593500	-	-	4.198	257.1923
17-Phenyltrinorprostaglandin E2	-	ME593501	-	-	4.606	369.2072
18.alpha.-Glycyrrhetinic acid	-	ME593502	-	-	5.888	471.3445
1_Apigenin-d5 iSTD_[M+H]+_KZNIFHPLKGYRTM-DKFMXDSJS...	-	ME593485	-	-	ESI (+)	[M+H]+
1_Caffeine-d10 iSTD_[M+H]+_RYYVLZVUVIJVGH-GQALSZNT...	-	ME593486	-	-	ESI (+)	[M+H]+
1_CUDA iSTD_[M+H]+_HPTJABJPZMULFH-UHFFFAOYSA-N	-	ME593487	-	-	ESI (+)	[M+H]+
1_Daidzein-d4 iSTD_[M+H]+_ZQSIJRDFPHDXIC-RHQRLBAQS...	-	ME593488	-	-	ESI (+)	[M+H]+
1_(-)-Epigallocatechin Gallate-d3/d4 iSTD_[M+H]+_W...	-	ME593483	-	-	ESI (+)	[M+H]+
1-Ethyl-4-piperidinylamine	-	ME593503	-	-	0.697	129.1397
1_Genistein-d4 iSTD_[M+H]+_TZBJGXHYKVUXJN-RHQRLBAQ...	-	ME593489	-	-	ESI (+)	[M+H]+
1-Hexadecylpyridinium cation	-	ME593504	-	-	7.881	304.3016
1_Hippuric acid-d5 iSTD_[M+H]+_QIAFMBKCNZACKA-RALI...	-	ME593490	-	-	0.807	185.0985
1-O-[(2alpha,3beta,5xi,9xi,18xi)-2,3,23-Trihydroxy...	-	ME593505	-	-	4.414	673.3984
1_Quercetin-d3 iSTD_[M+H]+_REFJWTPEDVJJIY-CBYSEHNB...	-	ME593491	-	-	ESI (+)	[M+H]+
1_Reserpine-d9 iSTD_[M+H]+_XXHYYWZRWQIEIX-GJIMXDMH...	-	ME593492	-	-	ESI (+)	[M+H]+
(1S)-(+)-Camphorquinone	-	ME593450	-	-	5.216	139.1131
1_trans-Cinnamic Acid -d5 iSTD_[M+H]+_WBYWAXJHAXSJ...	-	ME593493	-	-	ESI (+)	[M+H]+
1_trans-Resveratrol-d4 iSTD_[M+H]+_LUKBXSAWLPMMSZ-...	-	ME593494	-	-	3.031	233.1193
2-(2-Hydroxy-5-methylphenyl)benzotriazole	-	ME593506	-	-	4.279	226.0996
2,3,4',5-Tetrahydroxystilbene 2-glucoside	-	ME593507	-	-	2.873	429.1197
2,3-Dimethoxy-5-methylbenzoquinone	-	ME593508	-	-	2.583	137.061
2,3-Dinor-8-isoprostaglandin-F2.alpha.	2,3-Dinor-8-iso-PGF2alpha	ME593509	-	-	5.359	309.209
2,4,7,9-Tetramethyl-5-decyne-4,7-diol	-	ME593510	-	-	3.009	135.118
(+)-2,5-epi-Goniothalesdiol	-	ME593444	-	-	1.849	249.1144
2,6-Di-tert-butyl-4-hydroxymethylphenol	-	ME593511	-	-	5.485	219.1764
2.alpha.-Methyl-5.alpha.-androstan-3.alpha.-ol-17-...	-	ME593512	-	-	3.727	287.2396
2-Amino-1-phenylbutane	-	ME593513	-	-	1.879	133.1024
2-Amino-m-cresol	-	ME593514	-	-	0.932	124.0768
2-cis-4-trans-Abscisic acid	-	ME593515	-	-	1.94	265.157
(2E)-3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-...	-	ME593451	-	-	5.559	388.1346
2-Heptyl-4-hydroxyquinoline N-oxide	-	ME593516	-	-	5.243	242.1563
2-Hydroxy-3-methoxybenzyl alcohol	-	ME593517	-	-	3.164	137.061
2-Hydroxy-5-methoxybenzaldehyde	-	ME593518	-	-	1.523	153.056
2-Linoleoylglycerol	MG 18:2	ME593519	-	-	6.176	337.2768
2-Methoxy-5-nitrophenol	-	ME593520	-	-	2.583	124.053
2-Methylbutyryl-L-carnitine	CAR 4:0;2Me	ME593521	-	-	3.244	246.1724
2-Methylquinolin-8-ol	-	ME593522	-	-	0.885	160.077
2-Propenoic acid, 3-(2,4-dimethoxyphenyl)-, (E)-	-	ME593523	-	-	5.62	191.0721
(2R,3R)-2,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2...	-	ME593452	-	-	1.938	492.1178
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethy...	-	ME593478	-	-	1.765	311.1153
(2S)-Nicotine 1-oxide	-	ME593453	-	-	0.755	148.0803
2-tert-Butyl-p-quinone	-	ME593524	-	-	2.188	137.0974
3-(2-Hydroxyethyl)indole	Tryptophanol	ME593525	-	-	2.277	162.0927
3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-3-[(2S,3R...	-	ME593538	-	-	1.907	743.2095
3,4,2',4',6'-Pentahydroxychalcone	-	ME593527	-	-	1.588	289.0732
3,4-Dihydroxycinnamic acid (L-alanine methyl ester...	-	ME593528	-	-	3.626	163.0404
3,4-Dihydroxy-L-phenylalanine	DOPA	ME593529	-	-	3.019	181.051
3,4-Dihydroxymandelic acid	3,4-Dihydroxymandelic acid	ME593530	-	-	2.363	167.0355
3,4-Dihydroxymethamphetamine	-	ME593531	-	-	5	151.0768
3,4-Methylenedioxy-.alpha.-pyrrolidinobutyrophenon...	-	ME593532	-	-	3.371	161.0612
3,5,7,3',4'-Pentahydroxyflavanone	-	ME593533	-	-	2.257	305.0684
3',5'-Dimethoxy-3,5,7,4'-tetrahydroxyflavone	-	ME593534	-	-	2.686	347.0794
3,5-Dimethoxy-4-hydroxycinnamic acid	Sinapic acid	ME593535	-	-	0.789	225.0774
3,5-Dimethoxycinnamic acid	-	ME593536	-	-	3.644	191.0721
3,7,4'-Trihydroxyflavone	-	ME593537	-	-	0.895	271.062
3-Acetamidophenol	-	ME593539	-	-	0.806	152.0718
3-Acetyl-3-methyldihydrofuran-2-one	-	ME593540	-	-	0.978	143.0716
3-Dehydroretinol	All-trans-3,4-didehydro retinol	ME593541	-	-	6.596	267.2133
3-Hydroxy-4-methoxycinnamic acid	Isoferulic acid	ME593542	-	-	1.798	195.0669
3'-Hydroxy-5,6,7,4'-tetramethoxyflavone	-	ME593543	-	-	5.867	359.1157
3-Hydroxy-6,3',4'-trimethoxyflavone	-	ME593544	-	-	5.782	329.105
3-Hydroxycapric acid	10-Hydroxydecanoic acid	ME593545	-	-	5.516	171.1396
3-(Hydroxymethyl)-6,7-dimethylquinolin-2-ol	-	ME593526	-	-	3.999	186.0931
3-Indoleacetic acid	Indoleacetic acid	ME593546	-	-	2.51	176.0722
3-Isopropylphenyl N-methylcarbamate	m-Cumenyl methylcarbamate	ME593547	-	-	2.006	137.0973
3-Methoxydiphenylamine	-	ME593548	-	-	5.709	200.1089
3-Methylindole	3-Methylindole	ME593549	-	-	1.37	132.0819
3-O-Methylgallic acid	-	ME593550	-	-	2.861	167.0354
4,4'-Dimethoxystilbene	-	ME593551	-	-	5.673	225.0931
4',5-Dihydroxy-7-methoxyflavanone	-	ME593552	-	-	5.57	287.0942
4',6'-Dimethoxy-2'-hydroxyacetophenone	-	ME593553	-	-	2.539	197.0826
4',7-Dimethoxy-3-hydroxyflavone	-	ME593554	-	-	5.966	299.0944
4-Aminoantipyrine	-	ME593555	-	-	1.265	159.0931
4-Demethylsimmondsin 2'-ferulate	-	ME593556	-	-	3.295	339.1106
4-Ethylmethcathinone	-	ME593557	-	-	7.218	174.1295
4H-1-Benzopyran-4-one, 2-(2-amino-3-methoxyphenyl)...	-	ME593558	-	-	1.475	121.0293
4-Hydroxy-3-methoxyamphetamine	-	ME593559	-	-	1.472	182.1192
4-Hydroxy-3-methoxyphenethyl alcohol	-	ME593560	-	-	0.779	151.0767
4-Hydroxybenzaldehyde	4-Hydroxybenzaldehyde	ME593561	-	-	1.205	123.0451
4-Hydroxybenzoic acid propyl ester	-	ME593562	-	-	4.294	139.0403
4-Ketopimelic acid	-	ME593563	-	-	2.04	129.0558
4-Methoxycinnamic acid	4-Methoxycinnamic acid	ME593564	-	-	3.949	161.0612
4-Methyl-5-thiazoleethanol	5-(2-Hydroxyethyl)-4-methylthiazole	ME593565	-	-	1.119	144.049
4'-Methyl-N-methylhexanophenone	-	ME593566	-	-	1.131	189.129
4'-O-.beta.-D-Glucosyl-5-O-methylvisamminol	-	ME593567	-	-	2.534	453.1772
4-Pregnen-11,17,20,21-tetrol-3-one	-	ME593568	-	-	5.352	365.2333
4-Pyridoxic acid	4-Pyridoxic acid	ME593569	-	-	1.016	184.0621
(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-ph...	Scoparone	ME593454	-	-	1.005	225.1116
4-tert-Butylbenzylamine	-	ME593570	-	-	5.385	147.1182
5-(2-Aminopropyl)-2,3-dihydro-1H-indene	-	ME593571	-	-	4.61	159.1183
5,3'-Dihydroxy-6,7,4'-trimethoxyflavone	-	ME593573	-	-	5.356	345.1002
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[3,4...	-	ME593574	-	-	2.601	625.182
5-(Galactosylhydroxy)-L-lysine	5-(Galactosylhydroxy)-lysine	ME593572	-	-	2.446	325.1652
5-Hexenoic acid, 6-[(2R,3S)-3-[[[(4-chloro-2-methy...	-	ME593575	-	-	4.191	235.1714
5-hydroxyculmorin	5-Hydroxyculmorin	ME593576	-	-	4.635	219.1764
5-Methoxytryptamine	5-Methoxytryptamine	ME593577	-	-	2.839	174.0929
5'-O-Acetyladenosine	-	ME593578	-	-	0.683	310.1167
5'-S-Methyl-5'-thioadenosine	5'-Methylthioadenosine	ME593579	-	-	1.027	298.0994
6-Methoxymethylone	-	ME593580	-	-	1.336	190.0878
6-Methylchromone-2-carboxylic acid	-	ME593581	-	-	4.793	205.0514
6-Methylcoumarin	-	ME593582	-	-	3.254	161.0611
7,2'-Dimethoxyflavone	-	ME593583	-	-	4.143	283.0992
7,8-Diallyloxy-4-methylcoumarin	-	ME593584	-	-	3.31	273.1146
7,8-Dihydro-.alpha.-ionone	-	ME593585	-	-	6.267	177.1654
7,8-Dihydroxy-4-methylcoumarin	-	ME593586	-	-	2.035	193.0513
7,8-Dihydroxycoumarin	-	ME593587	-	-	1.856	179.0354
(.+/-.)7-epi-Jasmonic acid	-	ME593443	-	-	1.423	211.1349
8-Acetyl-7-hydroxycoumarin	-	ME593588	-	-	2.071	205.0514
9-Phenanthrol	9-Phenanthrol	ME593589	-	-	5.251	195.0823
(+)-Abscisic acid	Abscisic acid	ME593445	-	-	1.98_1.978	229.1245_247.1352
Abscisic acid	Abscisic acid	ME593590	-	-	3.059	265.1461
Acetamiprid	-	ME593591	-	-	2.368	223.0764
Acetyl coenzyme A	Acetyl-CoA	ME593592	-	-	1.046	303.14
Acetyleugenol	-	ME593593	-	-	2.45	165.0924
Ala-Leu	Ala-Leu	ME593594	-	-	0.809	203.1408
Alantolactone	Alantolactone	ME593595	-	-	2.18	233.1557
Ala-Phe	Ala-Phe	ME593596	-	-	1.636	237.1256
Ala-Trp	Ala-Trp	ME593597	-	-	2.555	276.137
Aleuritic acid	-	ME593598	-	-	3.36_3.362_3.345	251.2028_305.235_287.2243
Allicin	Allicin	ME593599	-	-	1.842	163.026
Alloxanthin	Oxypurinol	ME593600	-	-	6.261	565.4094
all-trans-Retinoic acid methyl ester	-	ME593601	-	-	5.93	283.2083
.alpha.,.beta.-Thujone	-	ME593457	-	-	1.026	153.1286
.alpha.-Bisabolol	alpha-Bisabolol	ME593458	-	-	5.449	205.1971
.alpha.-Cyperone	-	ME593459	-	-	3.97	201.1656
.alpha.-Dimethylaminopentiophenone	-	ME593460	-	-	2.51	161.0976
.alpha.-Ionone	alpha-Ionone	ME593461	-	-	1.877	175.1497
.alpha.-L-Glu-L-Asp	Glu-Asp	ME593462	-	-	1.317	263.0914
.alpha.-Linolenoyl ethanolamide	alpha-Linolenoyl-EA	ME593463	-	-	5.98	322.2772
.alpha.-Pyrrolidinopropiophenone	-	ME593464	-	-	0.71	133.0659
.alpha.-Santonin	alpha-Santonin	ME593465	-	-	3.87	173.0977
Aminocarb	-	ME593602	-	-	2.312	152.1084
Androstane-3,17-diol	3alpha-Androstanediol	ME593603	-	-	6.124	293.2505
Anisatin	Anisatin	ME593604	-	-	1.761	293.1046
apigenin 6,8-digalactoside	-	ME593605	-	-	1.408	595.171
Apigenin 7-glucoside	-	ME593606	-	-	1.879	865.2263
Apigenin 7-O-neohesperidoside	-	ME593607	-	-	1.877	579.1759
Aprepitant .beta.-glucuronide	-	ME593608	-	-	2.96	277.1074
Arachidonoyl-2'-fluoroethylamide	-	ME593609	-	-	6.148	287.2398
Arg-Arg	Arg-Arg	ME593610	-	-	0.683	331.2227
ARGININE	Arginine	ME593611	-	-	6.904	175.1207
Arg-Leu	Arg-Leu	ME593612	-	-	3.543	288.2057
Arg-Phe	Arg-Phe	ME593613	-	-	3.948	322.1903
Asiatic acid	Asiatic acid	ME593614	-	-	4.307_4.308	453.3404_489.362
Asn-Leu	Asn-Leu	ME593615	-	-	1.135	246.1471
Asn-Phe	Asn-Phe	ME593616	-	-	1.374	280.1319
Asp-Ile	Asp-Ile	ME593617	-	-	0.914	247.1311
Asp-Leu	Asp-Leu	ME593618	-	-	1.045	247.1312
Asp-Phe	Asp-Phe	ME593619	-	-	1.469	281.1157
Astragalin	-	ME593620	-	-	2.57	449.1121
Atractylenolide III	-	ME593621	-	-	1.775	213.1295
Austricine	-	ME593622	-	-	2.387	263.1303
Avicularin	-	ME593623	-	-	2.96	457.0752
Azelaic acid	Azelaic acid	ME593624	-	-	3.412	153.0924
Baicalin	Baicalin	ME593625	-	-	3.054	447.0962
Benzamide, N-[[(2-hydroxy-5-nitrophenyl)amino]thio...	-	ME593626	-	-	1.241	133.0659
Benzeneacetic acid, .alpha.-amino-3,5-dihydroxy-, ...	-	ME593627	-	-	1.097	167.0353
Benzyldimethylstearylammonium cation	-	ME593628	-	-	8.131	388.3975
Benzyldimethyltetradecylammonium cation	-	ME593629	-	-	7.881	332.333
.beta.-Amyrin acetate	-	ME593466	-	-	6.863	409.3869
.beta.-Damascone	-	ME593467	-	-	1.621_0.635	137.0973_175.1497
beta-D-Glucopyranose, 1-O-[(2alpha,3beta,5xi,9xi)-...	-	ME593630	-	-	3.873	703.3731
.beta.-Resorcylic acid	-	ME593468	-	-	1.736	155.0352
.beta.-Sitosterol	Sitosterol	ME593469	-	-	6.391	397.3847
Betulinic acid	Betulinic acid	ME593631	-	-	5.723	457.3718
Bisabolol oxide A	-	ME593632	-	-	2.763	221.1919
Boscalid	-	ME593633	-	-	5.704_5.71	343.0429_345.0397
Brassicasterol	Brassicasterol	ME593634	-	-	6.281	381.3552
Brefeldin A	Brefeldin A	ME593635	-	-	5.227	263.1668
Caffeic acid	Caffeic acid	ME593636	-	-	1.012	163.0404
Cantharidin	-	ME593637	-	-	6.005	179.0719
Carbamic acid, N-(2,2-diphenylacetyl)-, ethyl este...	-	ME593638	-	-	4.3	167.0871
Carbendazim	Carbendazim	ME593639	-	-	2.177	192.0785
Carbobenzyloxyglycylglycyl-L-norleucine	-	ME593640	-	-	4.081	336.1948
(-)-Carveol	-	ME593435	-	-	2.412	135.118
(-)-Caryophyllene oxide	Caryophyllene alpha-oxide	ME593436	-	-	5.196_5.2	221.1921_203.1814
Catechin	Catechin	ME593641	-	-	1.17	291.0888
(+)-Catechin	Catechin	ME593446	-	-	0.767	291.1034
(-)-Catechin gallate	-	ME593437	-	-	3.327	273.0784
Caulophyllogenin	-	ME593642	-	-	6.116_6.139	471.3515_425.3455
Cedrol	-	ME593643	-	-	4.197	149.1338
Chalcone	Chalcone	ME593644	-	-	0.656	131.0503
Chamissonolide	-	ME593645	-	-	2.239_2.254	265.1459_247.1352
Chicoric acid	-	ME593646	-	-	1.947	497.0733
Chlorogenic acid	Chlorogenic acid	ME593647	-	-	1.005	355.1024
cirsimaritin	-	ME593648	-	-	5.295	315.0894
cis-11,14-Eicosadienoic acid	11Z,14Z-Eicosadienoic acid	ME593649	-	-	4.498	291.271
cis-11-Eicosenoic acid	cis-Gondoic acid	ME593650	-	-	4.317	293.2868
cis-5-Dodecenoic acid	5-Dodecenoic acid	ME593651	-	-	5.957	181.1603
cis-Jasmone	cis-Jasmone	ME593652	-	-	7.048	165.129
Citric acid	Citric acid	ME593653	-	-	0.957	210.0627
Coniferylaldehyde	Coniferyl aldehyde	ME593654	-	-	2.391_2.359	161.0611_179.0718
Corey PG-lactone diol	-	ME593655	-	-	4.023	233.1559
Corosolic acid	-	ME593656	-	-	5.904_5.913	437.3455_455.3561
Culmorin	-	ME593657	-	-	2.771	239.2027
Cyanidin-3-glucoside	-	ME593660	-	-	1.456	449.1117
Cyanidin-3-O-alpha-arabinopyranoside	-	ME593661	-	-	0.894	419.1005
Cyanidin 3-rutinoside cation	-	ME593658	-	-	2.469	595.1711
Cyanidin cation	-	ME593659	-	-	3.05	287.0576
Cyanin cation	-	ME593662	-	-	1.696	449.1083
Cyclohexanecarboxylic acid, 1-phenyl-, 2-(4-morpho...	-	ME593663	-	-	2.373	318.2054
DAG 34:2	DG 34:2	ME593665	-	-	7.083	610.5462
DAG 34:3	DG 34:3	ME593666	-	-	7.031	608.5307
DAG 36:3	DG 36:3	ME593667	-	-	7.094	636.5626
DAG 36:4	DG 36:4	ME593668	-	-	7.031	634.5469
DAG 36:5	DG 36:5	ME593669	-	-	6.974	632.5312
DAG 36:6	DG 36:6	ME593670	-	-	6.915	630.5155
D-Asparagine	D-Asparagine	ME593671	-	-	8.195	133.0621
.delta.-Decalactone	-	ME593470	-	-	5.537_5.526	135.1181_153.1288
.delta.-Nonalactone	-	ME593471	-	-	5.064	157.1238
.delta.-Octalactone	-	ME593472	-	-	3.528	143.108
Demecolcine	-	ME593672	-	-	4.306	372.1842
D-erythro-Sphinganine	Sphinganine	ME593673	-	-	8.147	302.3083
DGDG 34:2	DGDG 34:2	ME593674	-	-	6.747	934.6555
DGDG 34:3	DGDG 34:3	ME593675	-	-	6.661	932.6396
DGDG 34:4	DGDG 34:4	ME593676	-	-	6.566	930.6242
DGDG 36:2	DGDG 36:2	ME593677	-	-	6.877	962.6877
DGDG 36:3	DGDG 36:3	ME593678	-	-	6.785	960.6716
DGDG 36:4	DGDG 36:4	ME593679	-	-	6.681	958.6559
DGDG 36:5	DGDG 36:5	ME593680	-	-	6.596	956.64
DGDG 36:6	DGDG 36:6	ME593681	-	-	6.513	954.6245
DGTS 34:2	DGTS 34:2	ME593682	-	-	8.103	736.6157
(+)-Dihydrocervone	-	ME593447	-	-	1.84	153.1287
Dihydromyricetin	Dihydromyricetin	ME593683	-	-	1.431	321.0634
Dihydrorobinetin	-	ME593684	-	-	1.11	305.0682
Dilinolenin (9c,12c,15c)	-	ME593685	-	-	6.694	613.4887
Dimethomorph	-	ME593686	-	-	5.472	388.1347
Dimethyldioctadecylammonium cation	-	ME593688	-	-	7.912	550.6317
Dimethyl sebacate	-	ME593687	-	-	4.056	139.113
Dinor-12-oxophytodienoic acid	-	ME593689	-	-	5.454	265.1825
dioctylamine	Dioctylamine	ME593690	-	-	7.285	242.2866
Diosgenin	Diosgenin	ME593691	-	-	5.458	415.3247
DL-4-Hydroxy-3-methoxymandelic acid	-	ME593692	-	-	6.1	149.0247
DL-Benzylsuccinic acid	-	ME593693	-	-	1.677	191.072
DL-Indole-3-lactic acid	Indolelactic acid	ME593694	-	-	1.363	170.0615
DL-Phenylalanine	Phenylalanine	ME593695	-	-	0.587	166.0876
Dodeca-2(E),4(E)-dienoic acid	2E,4E-Dodecadienoic acid	ME593696	-	-	4.261	161.1339
Dopamine 4-.beta.-D-glucuronide	-	ME593697	-	-	5.005	137.061
D-(+)-Trehalose	Trehalose	ME593664	-	-	0.589	360.1533
(E)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hyd...	-	ME593456	-	-	0.839	344.1369
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyp...	-	ME593455	-	-	2.777	314.1416
Echinocystic acid	-	ME593698	-	-	5.651	427.3612
Eleutheroside B	Syringin	ME593699	-	-	0.764	395.1345
Ellagic acid	Ellagic acid	ME593700	-	-	1.8	303.0164
Entacapone	Entacapone	ME593701	-	-	2.513	306.1126
(-)-Epigallocatechin	Epigallocatechin	ME593438	-	-	0.619	307.0837
Ergothioneine	Ergothioneine	ME593702	-	-	3.969	230.0981
Eriodictyol-7-O-glucoside	-	ME593703	-	-	2.254	451.1275
Erucamide	13Z-Docosenamide	ME593704	-	-	6.503	338.3432
Erythrodiol	-	ME593705	-	-	6.29	407.3709
Escaline	-	ME593706	-	-	5.358	181.0875
Ethanone, 1-(5-hydroxy-1-pentyl-1H-indol-3-yl)-2-(...	-	ME593707	-	-	0.629	121.0658
Ethyl 4-hydroxyquinoline-2-carboxylate	-	ME593708	-	-	1.12	190.0515
Ethyl gallate	-	ME593709	-	-	3.241	181.0511
Ethyl syringate	-	ME593710	-	-	1.194	227.0877
Ethyl trans-caffeate	-	ME593711	-	-	0.854	163.0402
Etonogestrel	-	ME593712	-	-	5.587	257.1925
Euparin	-	ME593713	-	-	2.624	175.077
Euphorbiasteroid	-	ME593714	-	-	6.05	315.1984
Farnesal	-	ME593715	-	-	5.621	203.1814
Farrerol	Farrerol	ME593716	-	-	5.861	301.1099
Fenamidone	-	ME593717	-	-	5.628	312.1195
Ferulic acid	trans-Ferulic acid	ME593718	-	-	1.042	195.0669
Ferulic acid methyl ester	-	ME593719	-	-	1.798	177.0562
Flavanomarein	-	ME593720	-	-	0.774	289.0732
Fluopyram	-	ME593721	-	-	5.886	397.0575
Fluxapyroxad	-	ME593722	-	-	5.831	382.1009
Fraxinellone	-	ME593723	-	-	3.87	233.1194
Friedelin	Friedelin	ME593724	-	-	6.675	427.3973
Fucosterol	Isofucosterol	ME593725	-	-	6.348	395.371
Galanthamine	-	ME593726	-	-	1.32	225.0929
Galiellalactone	-	ME593727	-	-	1.307	195.1033
Gallic acid	Gallic acid	ME593728	-	-	1.097_1.097	153.0196_171.0303
(-)-Gallocatechin	-	ME593439	-	-	1.068	307.0825
(-)-Gallocatechin 3-gallate	-	ME593440	-	-	0.959	289.0733
.gamma.-Decalactone	-	ME593473	-	-	1.901	153.1287
.gamma.-Glu-Cys	gamma-Glutamylcysteine	ME593474	-	-	2.449	251.072
gamma-Glutamylleucine	gamma-Glutamylleucine	ME593729	-	-	0.891	261.1466
.gamma.-Glutamyl-(S)-allyl-L-cysteine	-	ME593475	-	-	0.655	162.0596
.gamma.-Linolenoyl ethanolamide	-	ME593476	-	-	5.856	261.2238
.gamma.-Octalactone	-	ME593477	-	-	1.047	143.1079
Genipin	Genipin	ME593730	-	-	4.228	209.0828
Germacrone	-	ME593731	-	-	5.9	219.1764
Glabridin	-	ME593732	-	-	2.487	189.0927
GlcADG 34:2	DGGA 34:2	ME593733	-	-	6.882	786.5804
GlcADG 34:3	DGGA 34:3	ME593734	-	-	6.811	784.5648
GlcADG 36:5	DGGA 36:5	ME593735	-	-	6.749	808.5651
Gln-Ile	Gln-Ile	ME593736	-	-	0.987	260.163
Gln-Leu	Gln-Leu	ME593737	-	-	1.2	260.1628
Gln-Phe	Gln-Phe	ME593738	-	-	1.526	294.1475
Glu-Leu	Glu-Leu	ME593739	-	-	1.307	261.1469
Glu-Phe	Glu-Phe	ME593740	-	-	1.083	295.1313
Glu-Phe-Arg	Glu-Phe-Arg	ME593741	-	-	1.523	451.2337
Glutamic acid	Glutamic acid	ME593742	-	-	8.423	148.0618
Glu-Trp	Glu-Trp	ME593743	-	-	1.791	334.1428
Gly-Leu	Gly-Leu	ME593744	-	-	1.171	189.1291
Gly-Phe	Gly-Phe	ME593745	-	-	1.472	223.1097
Gossypetin 3,3',8-trimethylether	-	ME593746	-	-	4.59	361.0952
Guaiaverin	-	ME593747	-	-	2.338	457.0779
Hederagenin	-	ME593748	-	-	5.915	409.3502
Helicin	-	ME593749	-	-	0.815	307.0815
Hexaethylene glycol	Hexaethylene glycol	ME593750	-	-	0.575	283.1775
HexCer-NS d32:3	HexCer 32:3;O2	ME593751	-	-	6.442	668.5159
HexCer-NS d34:2	HexCer 34:2;O2	ME593752	-	-	6.628	698.5628
HexCer-NS d34:3	HexCer 34:3;O2	ME593753	-	-	6.579	696.5474
His-Leu	His-Leu	ME593754	-	-	2.125	269.1633
His-Phe	His-Phe	ME593755	-	-	2.756	303.1481
(-)-Homoeriodictyol	-	ME593441	-	-	2.967	177.0562
Homogentisic acid	Homogentisic acid	ME593756	-	-	1.208	169.051
Huperzine B	-	ME593757	-	-	4.34	257.1673
Hydroxyvalerenic acid	-	ME593758	-	-	2.779	233.1558
Hymeglusin	-	ME593759	-	-	5.554_5.558	289.1826_307.1933
Hyperoside	-	ME593760	-	-	2.138	487.0889
Icariin	-	ME593761	-	-	1.512	531.1882
Ile-Arg	Ile-Arg	ME593762	-	-	1.352	288.1945
Ile-Glu	Ile-Glu	ME593763	-	-	0.619	261.1468
Ile-Gly-Ile	Ile-Gly-Ile	ME593764	-	-	3.295	302.2104
Ile-Ile	Ile-Ile	ME593765	-	-	2.994	245.1883
Ile-Ile-Lys	Ile-Ile-Lys	ME593766	-	-	3.162	373.2846
Ile-Leu	Ile-Leu	ME593767	-	-	3.14	245.1884
Ile-Met	Ile-Met	ME593768	-	-	2.046	263.1302
Ile-Phe	Ile-Phe	ME593769	-	-	3.441	279.173
Ile-Pro-Ile	Ile-Pro-Ile	ME593770	-	-	3.904	342.242
Ile-Trp	Ile-Trp	ME593771	-	-	3.9	318.1843
Ile-Tyr	Ile-Tyr	ME593772	-	-	1.674	295.168
Ile-Val-Arg	Ile-Val-Arg	ME593773	-	-	4.912	387.275
Imidacloprid	Imidacloprid	ME593774	-	-	1.965	256.062
Indole-3-butyric acid	3-Indolebutyric acid	ME593775	-	-	1.17	186.0929
Indole-6-carboxaldehyde	-	ME593776	-	-	1.344	146.0613
Irisflorentin	-	ME593777	-	-	5.944	409.0957
(+)-Isomenthone	-	ME593448	-	-	4.177	137.1338
Isoorientin	-	ME593778	-	-	3.327	431.1013
Isopentenyladenine	N6-Isopentenyladenine	ME593779	-	-	2.782	204.1264
Isophorone	Isophorone	ME593780	-	-	2.193	139.113
Isopimaric acid	Isopimaric acid	ME593781	-	-	5.457	303.2348
Isoquercetrin	-	ME593782	-	-	2.12	465.1068
Isosilybin A	-	ME593783	-	-	5.588	311.058
Janerin	-	ME593784	-	-	1.062	261.1146
Jasmine lactone	-	ME593785	-	-	5.61	151.1132
Jasmonic acid	Jasmonic acid	ME593786	-	-	3.527	211.1351
Kaempferitrin	Kaempferitrin	ME593787	-	-	3.048	433.1168
Kahweol	-	ME593788	-	-	5.303	315.1986
Ketogluconic acid methyl ester	-	ME593789	-	-	1.069	155.0351
Koninginin A	-	ME593790	-	-	4.053	285.2088
Kynurenic acid	Kynurenic acid	ME593791	-	-	1.122	190.0514
L-(-)-3-Phenyllactic acid	L-3-Phenyllactic acid	ME593792	-	-	0.59	131.0503
Lactose	Lactose	ME593793	-	-	3.51	325.1157
L-Alanyl-L-norleucine	-	ME593794	-	-	1.289	203.1408
L-ARGININE	Arginine	ME593795	-	-	0.57	175.1204
L-Arginine, methyl ester	-	ME593796	-	-	0.699	189.1249
Leu-Arg	Leu-Arg	ME593797	-	-	1.774	288.2058
Leucylleucyltyrosine	Leu-Leu-Tyr	ME593798	-	-	3.41	408.253
Leu-Gly-Leu	Leu-Gly-Leu	ME593799	-	-	3.493	302.2104
Leu-Leu	Leu-Leu	ME593800	-	-	2.789	245.1883
Leu-Lys	Leu-Lys	ME593801	-	-	1.252	260.1993
Leu-Tyr	Leu-Tyr	ME593802	-	-	1.835	295.1677
Leu-Val	Leu-Val	ME593803	-	-	1.405	231.1724
L-Glutamic acid	Glutamic acid	ME593804	-	-	0.783	148.0616
L-Glutamine	Glutamine	ME593805	-	-	0.795_0.804	130.051_147.0777
Linderane	Linderane	ME593806	-	-	1.402	225.093
Linoelaidic acid	Linoelaidic acid	ME593807	-	-	6.166	245.2287
Linoleic acid	Linoleic acid	ME593808	-	-	6.312	281.2502
Linoleic acid ethyl ester	-	ME593809	-	-	6.636	309.2819
Linoleic acid methyl ester	-	ME593810	-	-	6.165	263.2395
Linoleoyl ethanolamide	Linoleoyl-EA	ME593811	-	-	6.069	324.2929
Lithospermic acid	-	ME593812	-	-	2.904_2.9232.902	556.1503_341.0688521.1126
Loliolide	Loliolide	ME593813	-	-	1.886	197.119
LPC 15:1	LPC 15:1	ME593814	-	-	5.748	480.3131
LPC 16:1	LPC 16:1	ME593815	-	-	5.809	494.3287
LPC 18:1	LPC 18:1	ME593816	-	-	5.955	522.3604
LPC 18:2	LPC 18:2	ME593817	-	-	5.864	520.3446
LPC 18:3	LPC 18:3	ME593818	-	-	5.781	518.329
LPC 20:1	LPC 20:1	ME593819	-	-	6.106	550.3922
LPC 20:2	LPC 20:2	ME593820	-	-	6.011	548.3763
LPC 20:3	LPC 20:3	ME593821	-	-	5.933	546.3603
LPC 22:6	LPC 22:6	ME593822	-	-	3.86	568.33
L-Tryptophan	Tryptophan	ME593823	-	-	1.403_1.396	188.0722_205.0989
Luteolin	Luteolin	ME593824	-	-	2.199	287.0576
Luteolin-7,3'-di-O-glucoside	-	ME593826	-	-	1.225	611.1666
Luteolin 7-glucoside	-	ME593825	-	-	2.57	471.0939
Lys-Ile	Lys-Ile	ME593827	-	-	2.762	260.1994
Lys-Leu	Lys-Leu	ME593828	-	-	3.182	260.1994
Lys-Phe	Lys-Phe	ME593829	-	-	3.533	294.1841
Madecassic acid	-	ME593830	-	-	5.58_5.59	469.3359_451.3253
Malathion	Malathion	ME593831	-	-	5.832_5.833	353.0288_331.0466
Malvidin 3,5-diglucoside cation	-	ME593832	-	-	1.913	331.0836
Marein	-	ME593833	-	-	1.47	473.1095
Medroxyprogesterone	Medroxyprogesterone	ME593834	-	-	5.969	327.2348
Mellein	-	ME593835	-	-	0.721	161.061
Mesterolone	Mesterolone	ME593836	-	-	3.722	305.2504
Metalaxyl	Metalaxyl	ME593837	-	-	4.46	280.1663
Methyl jasmonate	Methyl jasmonate	ME593838	-	-	5.306	225.1506
Methyl trans-cinnamate	-	ME593839	-	-	1.448	163.0767
Methyl vanillate	Methyl vanillate	ME593840	-	-	1.174	183.0668
Methysticin	-	ME593841	-	-	3.619	257.0832
Met-Leu	Met-Leu	ME593842	-	-	2.568	263.145
Met-Phe	Met-Phe	ME593843	-	-	3.139	297.1297
Met-Val	Met-Val	ME593844	-	-	1.332	249.1289
MGDG 34:2	MGDG 34:2	ME593845	-	-	6.911	772.601
MGDG 34:3	MGDG 34:3	ME593846	-	-	6.841	770.5851
MGDG 34:4	MGDG 34:4	ME593847	-	-	6.748	768.5697
MGDG 34:5	MGDG 34:5	ME593848	-	-	6.661	766.5537
MGDG 34:6	MGDG 34:6	ME593849	-	-	6.593	764.5366
MGDG 35:3	MGDG 35:3	ME593850	-	-	6.88	784.6013
MGDG 36:3	MGDG 36:3	ME593851	-	-	6.929	798.617
MGDG 36:4	MGDG 36:4	ME593852	-	-	6.848	796.6008
MGDG 36:5	MGDG 36:5	ME593853	-	-	6.767	794.5852
MGDG 36:6	MGDG 36:6	ME593854	-	-	6.694	792.5697
MGDG 37:4	MGDG 37:4	ME593855	-	-	6.873	810.6173
MGDG 37:5	MGDG 37:5	ME593856	-	-	6.806	808.6016
MGDG 38:6	MGDG 38:6	ME593857	-	-	6.799	820.6017
Mianserin N-oxide	-	ME593858	-	-	2.874	281.1636
Monoelaidin	-	ME593859	-	-	6.276	357.3032
Monoisobutyl phthalate	Monoisobutyl phthalate	ME593860	-	-	6.099	223.0985
Monolinolenin (9c,12c,15c)	-	ME593861	-	-	5.852	353.2718
Monopalmitolein (9c)	-	ME593862	-	-	5.771	311.2609
Muscone	-	ME593863	-	-	6.238	239.2392
Myricetin	Myricetin	ME593864	-	-	1.715	319.0477
Myristoleic acid	Myristoleic acid	ME593865	-	-	5.696_5.695	209.192_227.2027
N1-(3-Aminopropyl)-N1-methylpropane-1,3-diamine	-	ME593868	-	-	1.205_1.303	146.1664_129.1397
N-[(3s,5s,7s)-Adamantan-1-yl]-1-(4-fluorobenzyl)-1...	-	ME593867	-	-	3.512	135.118
N6-Isopentenyladenosine	N6-Isopentenyladenosine	ME593869	-	-	2.205	336.1698
N8-Acetylspermidine	N8-Acetylspermidine	ME593870	-	-	0.76	188.1773
N-Acetyl-DL-leucine	-	ME593871	-	-	0.677	132.103
N-Acetyl-S-farnesyl-L-cysteine	-	ME593872	-	-	0.835	130.051
N-Acetyl-S-geranylgeranyl-L-cysteine	-	ME593873	-	-	6.334	273.2603
N-Acetyltryptophan	N-Acetyl-tryptophan	ME593874	-	-	2.019	247.11
Nandrolone	Nandrolone	ME593875	-	-	3.883	275.2032
Naringenin	Naringenin	ME593876	-	-	1.822	273.0782
Naringenin 4',7-dimethylether	-	ME593877	-	-	3.666	161.0613
Naringenin-7-O-glucoside	Naringenin-7-O-glucoside	ME593878	-	-	3.069	435.1299
Naringin dihydrochalcone	-	ME593879	-	-	2.484	437.1479
N-Benzyl-.alpha.-methylbenzylamine	-	ME593880	-	-	7.469	212.1454
N-Caffeoyl-O-methyltyramine	-	ME593881	-	-	3.262	163.0404
NCGC00380819-01_C16H22O9_	-	ME593882	-	-	2.542	381.1189
Neochlorogenic acid	-	ME593883	-	-	0.662	163.0402
Neohesperidose	Neohesperidose	ME593884	-	-	2.004	309.1209
Nepetin 7-glucoside	-	ME593885	-	-	1.029	479.1224
N-Ethyl-N-methylcathinone	-	ME593886	-	-	1.422	133.0659
Nilutamide	-	ME593887	-	-	1.354	318.0713
N,N-Dimethyl-L-valine	-	ME593866	-	-	1.023	146.1188
N-Oleoylglycine	N-Oleoyl glycine	ME593888	-	-	6.259	265.2552
Nootkatone	-	ME593889	-	-	4.641	201.1657
Notopterol	-	ME593890	-	-	1.746	187.1133
N-Palmitoyl-D-sphingosine	-	ME593891	-	-	6.205	256.266
Oenin	-	ME593892	-	-	1.932	493.1384
Oleamide	Oleamide	ME593893	-	-	6.255	282.2818
Oleanolic acid methyl ester	-	ME593894	-	-	5.857	411.3662
O-Methyltyramine	-	ME593895	-	-	1.55	135.0816
Oxyresveratrol	-	ME593896	-	-	5.426	209.0618
Palmitelaidic acid	Palmitelaidic acid	ME593897	-	-	5.898	255.2344
Palmitic acid alkyne	-	ME593898	-	-	4.692	253.2187
Palmitoyleicosapentaenoyl phosphatidylcholine	-	ME593899	-	-	6.701	780.5578
Palmitoylserinol	-	ME593900	-	-	7.649	330.3034
Parthenolide	-	ME593901	-	-	4.421	249.1511
Patulin	-	ME593902	-	-	1.996	155.0352
PC 32:2	PC 32:2	ME593903	-	-	6.899	730.5456
PC 34:3	PC 34:3	ME593904	-	-	8.187	756.5616
PC 34:4	PC 34:4	ME593905	-	-	6.754	754.5453
PC 35:3	PC 35:3	ME593906	-	-	8.194	770.5771
PC 36:4	PC 36:4	ME593907	-	-	8.177	782.5771
PC 38:2	PC 38:2	ME593908	-	-	8.268	814.6401
PC 38:7e	PC O-38:7	ME593909	-	-	6.416	790.5671
PC 38:8e	PC O-38:8	ME593910	-	-	6.522	788.5513
PC 40:10	PC 40:10	ME593911	-	-	6.219	826.5311
PC 40:10e	PC O-40:10	ME593912	-	-	6.502	812.5519
PC 40:11e	PC O-40:11	ME593913	-	-	6.342	810.5357
PE 32:3	PE 32:3	ME593914	-	-	6.622	686.4818
PE 36:2_1-Stearoyl-2-linoleoyl-sn-glycero-3-phosph...	-	ME593915	-	-	8.197	744.5612
PE 36:3	PE 36:3	ME593916	-	-	6.935	742.545
PE 36:5	PE 36:5	ME593917	-	-	6.687	738.5134
Peimine	Peimine	ME593918	-	-	3.504	432.351
Pelargonidin cation	-	ME593919	-	-	1.457	289.0731
Peltatoside	-	ME593920	-	-	1.772	597.1504
Penthiopyrad	-	ME593921	-	-	5.993	360.1387
Peonidin-3-O-alpha-arabinopyranoside	-	ME593922	-	-	2.486	433.1169
Petunidin 3-glucoside cation	-	ME593923	-	-	1.309	479.1224
Petunidin cation	-	ME593924	-	-	1.918	317.0685
Phe-Ala	Phe-Ala	ME593925	-	-	1.163	237.1255
Phe-Glu-Arg	Phe-Glu-Arg	ME593926	-	-	3.224_3.245	226.1209_451.2343
Phe-Leu	Phe-Leu	ME593927	-	-	3.848	279.1731
Phe-Met	Phe-Met	ME593928	-	-	2.843	297.1296
Phenol, 5-(1,1-dimethyloctyl)-2-[(1S,3S)-3-hydroxy...	-	ME593929	-	-	4.194	247.2081
Pheophorbide a	Pheophorbide a	ME593930	-	-	6.424	593.2813
Phe-Phe	Phe-Phe	ME593931	-	-	4.344	313.1576
Phe-Val	Phe-Val	ME593932	-	-	2.38	265.1573
Phloretin	Phloretin	ME593933	-	-	3.275	275.094
Phlorizin	Phlorizin	ME593934	-	-	3.272_3.276	459.1304_437.1483
Phytic acid	Myo-inositol hexakisphosphate	ME593935	-	-	8.498_8.527	682.8571_660.8753
Phytosphingosine	Phytosphingosine	ME593936	-	-	8.108	318.3034
(+)-Pinoresinol	Pinoresinol	ME593449	-	-	3.142	341.1415
Piperazine, 1-cyclohexyl-4-(1,2-diphenylethyl)-	-	ME593937	-	-	5.994	181.1028
Polygodial	-	ME593938	-	-	2.173	235.1714
Procyanidin A2	-	ME593939	-	-	1.987	577.1396
Procyanidin B2	Procyanidin B2	ME593940	-	-	0.661	579.1546
Pro-Gln	Pro-Gln	ME593941	-	-	5.387	244.1315
Pro-Leu-Lys	Pro-Leu-Lys	ME593942	-	-	0.916	357.2525
Protopanaxadiol	-	ME593943	-	-	6.405	443.3926
Pygenic acid C	-	ME593944	-	-	5.841	451.325
Pyraclostrobin a	-	ME593945	-	-	6.024	388.1094
Pyraclostrobin b	-	ME593946	-	-	6.022	410.0915
Pyrimethanil	-	ME593947	-	-	4.92	200.1201
Pyroglutamic acid	Pyroglutamic acid	ME593948	-	-	8.198	130.0512
Quercetin 3,4'-di-O-glucoside	-	ME593949	-	-	2.23	465.107
Quercetin-3-Glucuronide	-	ME593953	-	-	2.187	479.0863
Quercetin 3'-methyl ether	-	ME593950	-	-	2.645	317.0684
Quercetin 3-O-.beta.-D-glucose-6'-acetate	-	ME593951	-	-	2.764	507.1179
Quercetin 3-O-malonylglucoside	Quercetin 3-O-malonylglucoside	ME593952	-	-	2.485	551.1082
Quercitrin	Quercitrin	ME593954	-	-	2.625	449.1117
Ramelteon	-	ME593956	-	-	1.942	187.1134
Rhoifolin	-	ME593957	-	-	1.925	579.176
Riboflavin	Riboflavin	ME593958	-	-	0.996	377.1486
Rosmarinic acid	Rosmarinic acid	ME593959	-	-	2.813_2.832	343.0844_383.0772
Rotenone	Rotenone	ME593960	-	-	3.856	241.0882
R-(-)-Phenyl-1,2-ethanediol	-	ME593955	-	-	0.574	121.0658
Rutinose	-	ME593961	-	-	1.173	309.1207
RUTOSIDE (rutin)	-	ME593962	-	-	2.13	633.1487
Salicin	Salicin	ME593963	-	-	0.766	309.0972
Salvianolic acid B	-	ME593964	-	-	3.323	736.1939
santin	-	ME593965	-	-	5.659	345.1003
Sarsasapogenin	-	ME593966	-	-	5.674	417.3402
S-Bioallethrin	-	ME593967	-	-	1.607	135.0816
Sclareolide	-	ME593968	-	-	5.71	191.1812
Scopoletin	Scopoletin	ME593969	-	-	1.893	193.0513
Scopolin	Scopolin	ME593970	-	-	1.023	377.0843
Sebacic acid monomethyl ester	-	ME593971	-	-	5.055	139.113
(-)-Secoisolariciresinol	Secoisolariciresinol	ME593442	-	-	2.217	327.1621
Sedanolide	-	ME593972	-	-	4.606	149.1339
Ser-Leu	Ser-Leu	ME593973	-	-	0.95	219.1358
Serotonin	Serotonin	ME593974	-	-	0.919	177.1037
Ser-Phe	Ser-Phe	ME593975	-	-	1.365	253.1206
Ser-Trp	Ser-Trp	ME593976	-	-	2.238	292.1319
Simmondsin 2'-ferulate	-	ME593977	-	-	1.204	339.1104
Sinapoylmalate	-	ME593978	-	-	1.029	207.1397
Sinapyl alcohol	Sinapyl alcohol	ME593979	-	-	0.696	193.0876
skullcapflavone II	-	ME593980	-	-	5.508	375.111
Solstitialin A	-	ME593981	-	-	2.271	263.1305
Solstitialin A 13-acetate	-	ME593982	-	-	5.994_5.997	199.1135_227.1087
Spermidine	Spermidine	ME593983	-	-	1.796	146.1665
SQDG 32:0	SQDG 32:0	ME593984	-	-	8.213	812.5635
SQDG 34:3	SQDG 34:3	ME593985	-	-	8.184	834.5483
SQDG 36:3	SQDG 36:3	ME593986	-	-	8.197	862.5795
SQDG 36:6	SQDG 36:6	ME593987	-	-	8.167	856.5331
Stearidonic acid ethyl ester	-	ME593988	-	-	6.162	305.2505
Stearidonic acid methyl ester	-	ME593989	-	-	5.565	259.2081
Sterigmatocystin	Sterigmatocystin	ME593990	-	-	5.132	325.0737
Suberic acid	Suberic acid	ME593991	-	-	2.42	139.0766
Sucrose	Sucrose	ME593992	-	-	0.78	365.1053
Sumaresinolic acid	-	ME593993	-	-	5.918	473.367
Sweroside	-	ME593994	-	-	3.151	359.137
Syringaldehyde	SYRINGALDEHYDE	ME593995	-	-	1.74	183.0668
Syringetin 3-galactoside	-	ME593996	-	-	4.69	347.0795
Syringetin 3-glucoside	-	ME593997	-	-	2.821	509.1338
TAG 50:2	TG 50:2	ME593998	-	-	7.924	848.7792
TAG 51:5	TG 51:5	ME593999	-	-	7.804	856.7484
TAG 52:3	TG 52:3	ME594000	-	-	7.942_7.948	874.7946_879.75
TAG 52:4	TG 52:4	ME594001	-	-	7.325_7.383	877.7349_872.779
TAG 52:5	TG 52:5	ME594002	-	-	7.951	870.7632
TAG 52:6	TG 52:6	ME594003	-	-	7.686	868.7479
TAG 53:6	TG 53:6	ME594004	-	-	7.796	882.7642
TAG 54:4	TG 54:4	ME594005	-	-	8.018	900.8101
TAG 54:5	TG 54:5	ME594006	-	-	7.392_7.402	898.7949_903.7507
TAG 54:6	TG 54:6	ME594007	-	-	7.805_7.948	896.7795_896.779
TAG 54:7	TG 54:7	ME594008	-	-	7.704_7.707	894.7639_899.7191
TAG 54:8	TG 54:8	ME594009	-	-	7.523_7.528	897.7035_892.7481
TAG 54:9	TG 54:9	ME594010	-	-	7.384_7.383	890.7322_895.6881
Tectoridin	-	ME594011	-	-	2.053	463.1276
Tetrahydrocannabivarin	-	ME594012	-	-	5.627	231.1402
Theaflavin	Theaflavin	ME594013	-	-	3.678	565.1396
Thiamine cation	Thiamine	ME594014	-	-	1.124_1.1451.099	265.1143_133.0659122.0723
Thr-Leu	Thr-Leu	ME594015	-	-	1.174	233.1517
Thr-Trp	Thr-Trp	ME594016	-	-	2.515	306.1478
Thr-Val-Leu	Thr-Val-Leu	ME594017	-	-	3.007	332.2211
Tilidine	-	ME594018	-	-	5.994	155.0869
Tiliroside	-	ME594019	-	-	3.851	595.1504
Timosaponin A-III	-	ME594020	-	-	3.642	741.4492
Timosaponin B II	-	ME594021	-	-	3.637	579.395
trans-3,5-Dimethoxy-4-hydroxycinnamaldehyde	Sinapoyl aldehyde	ME594022	-	-	1.312_1.333	191.0719_209.0827
trans-Cinnamic acid	trans-Cinnamic acid	ME594023	-	-	1.765	149.061
trans-Ferulic acid	trans-Ferulic acid	ME594024	-	-	3.299	177.0562
trans-Traumatic acid	Traumatic acid	ME594025	-	-	4.257	165.1289
Tri(3-chloropropyl) phosphate	-	ME594026	-	-	5.613_5.618	251.0026_327.0112
Tricin	Tricin	ME594027	-	-	4.716	331.0845
Triethyl phosphate	Triethyl phosphate	ME594028	-	-	2.182	183.0797
Triptophenolide	-	ME594029	-	-	4.763	313.1829
Tris(2-chloroethyl) phosphate	-	ME594030	-	-	4.063	284.964
Tris(2-chloropropyl) phosphate	-	ME594031	-	-	5.619	329.0166
Trp-Ala	Trp-Ala	ME594032	-	-	1.823	276.129
Tryptamine	Tryptamine	ME594033	-	-	2.701_2.7	144.0821_161.1088
Tyr-Leu	Tyr-Leu	ME594034	-	-	2.377	295.1681
Tyr-Phe	Tyr-Phe	ME594035	-	-	3.01	329.1526
Tyr-Val	Tyr-Val	ME594036	-	-	1.075	281.152
Ursolic acid	Ursolic acid	ME594037	-	-	6.185_6.186	457.372_439.3612
Ursolic acid methyl ester	-	ME594038	-	-	3.509	203.1814
Usnic acid	-	ME594039	-	-	6.33	345.1001
Uvaol	-	ME594040	-	-	6.263	443.3923
Valerenic acid	-	ME594041	-	-	4.29	235.1714
Val-Gly-Val	Val-Gly-Val	ME594042	-	-	1.464	274.1785
Val-Ile	Val-Ile	ME594043	-	-	1.654	231.1724
Val-Leu	Val-Leu	ME594044	-	-	1.985	231.1725
Val-Met	Val-Met	ME594045	-	-	1.128	249.1292
Val-Phe	Val-Phe	ME594046	-	-	2.693	265.1572
Val-Trp	Val-Trp	ME594047	-	-	3.204	304.1685
Val-Tyr	Val-Tyr	ME594048	-	-	1.151	281.1521
Val-Val	Val-Val	ME594049	-	-	0.823	217.1565
Zerumbone	-	ME594050	-	-	1.171	147.118
Z-Ligustilide	-	ME594051	-	-	0.99	191.1081

Analysis: Normal phase NEGATIVE ION MODE

Metabolite Name	RefMet Name/Standardized Name*	WorkBench Metabolite_ID	PubChem Compound_ID	Kegg Id	Retention time/index	m/z ratio
10-Hydroxy-2-decenoic acid	-	ME594086	-	-	2.5	185.1186
12(13)-Epoxy-9Z-octadecenoic acid	12(13)-EpOME	ME594087	-	-	5.9	295.2292
1,2-Dilinolenoyl-sn-glycero-3-phosphoethanolamine	-	ME594071	-	-	6.5	734.482
1_2-hydroxyfluorene-d9 iSTD	-	ME594075	-	-	5.3	190.1228
1,3-Cyclohexanedicarboxylic acid	-	ME594072	-	-	1.5	171.0663
1,4-D-Xylobiose	Xylobiose	ME594073	-	-	0.9	341.1107
14-O-Acetyldaunomycinone	-	ME594088	-	-	4.4	311.05795
16-Hydroxyhexadecanoic acid	Juniperic acid	ME594089	-	-	6.2	271.2294
1_Apigenin-d5 iSTD	-	ME594076	-	-	4.5	274.0782
1_(beta)-Epigallocatechin Gallate-d3/d4 iSTD	-	ME594074	-	-	1.3	460.099
1_Betulinic acid-d3 iSTD	-	ME594077	-	-	6.1	458.3745
1_CUDA iSTD	-	ME594078	-	-	5.7	339.2667
1_Daidzein-d4 iSTD	-	ME594079	-	-	3	257.0757
1_Genistein-d4 iSTD	-	ME594080	-	-	4.2	273.072
1_Hippuric acid-d5 iSTD	-	ME594081	-	-	0.7	183.0824
1-O-[(2alpha,3beta,5xi,6beta,9xi,18xi)-2,3,6,23-Te...	-	ME594090	-	-	3.6	711.4007
1-O-[(2alpha,3beta,5xi,9xi,18xi)-2,3,23-Trihydroxy...	-	ME594091	-	-	4.4	695.4058
1-Oleoyl-sn-glycero-3-phosphocholine	LPC 18:1/0:0	ME594092	-	-	5.926_5.922	556.3218_566.3497
1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholin...	PC 16:0/18:2	ME594093	-	-	6.874_6.83	792.5371_802.5659
1-Pentadecanoyl-sn-glycero-3-phosphocholine	LPC 15:0/0:0	ME594094	-	-	5.8	526.3179
1_Quercetin-d3 iSTD	-	ME594082	-	-	3.8	304.0558
(1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy...	-	ME594060	-	-	1.3	337.0948
1_Reserpine-d9 iSTD	-	ME594083	-	-	7.4	616.325
(1S,4aR,6aS,6bR,9R,10R,11R,12aR,14bS)-1,10,11-trih...	-	ME594061	-	-	5.3	503.3409
1-Stearoyl-2-hydroxy-sn-glycero-3-phosphocholine	LPC 18:0/0:0	ME594095	-	-	6	568.3654
1_trans-Cinnamic Acid-d5 iSTD	-	ME594084	-	-	2.9	152.0762
1_trans-Resveratrol-d4 iSTD	-	ME594085	-	-	2.9	231.0964
2,2-Dimethylglutaric acid	2,2-Dimethylglutaric acid	ME594098	-	-	0.6	159.0662
2-(2-Hydroxyethoxy)phenol	-	ME594096	-	-	0.9	135.0447
2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-...	-	ME594097	-	-	2.5	477.1064
2',4',6'-Trihydroxydihydrochalcone	-	ME594099	-	-	1.3	257.0832
2,4-Dichlorobenzoic acid	2,4-Dichlorobenzoic acid	ME594100	-	-	3.9	188.9518
2,4-Di-tert-butylphenol	2,4-Ditert-butylphenol	ME594101	-	-	5.5	205.1602
2',5'-Dihydroxy-4-methoxychalcone	-	ME594102	-	-	4.7	269.0833
2,5-Dihydroxybenzaldehyde	Gentisate aldehyde	ME594103	-	-	0.7	137.0239
2-cis-4-trans-Abscisic acid	-	ME594104	-	-	2.6	263.1303
2-Furanpropanoic acid, 3-carboxy-4-methyl-5-propyl...	-	ME594105	-	-	1.2	239.0935
(.+/-.)-2-Hydroxyisocaproic acid	2-Hydroxyisocaproic acid	ME594055	-	-	1.6	131.0709
2-Hydroxymyristic acid	2-Hydroxymyristic acid	ME594106	-	-	5.7	243.1975
2-Hydroxypalmitic acid	2-Hydroxypalmitic acid	ME594107	-	-	5.9	271.2294
2-Isopropylmalic acid	2-Isopropylmalic acid	ME594108	-	-	0.7	175.0613
2-Linoleoyl-1-palmitoyl-sn-glycero-3-phosphoethano...	PE 16:0/18:2	ME594109	-	-	6.7	714.5128
(2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid	2-Oxindole-3-acetate	ME594062	-	-	1	190.0512
2-Propylglutaric acid	2-Propylglutaric acid	ME594110	-	-	1.2	173.082
(2R,3R,4R,6aR,6bS,8aR,14bR)-2,3,12-trihydroxy-4,6a...	-	ME594063	-	-	3.7	679.3743
(2R,3R,4S,5S,6R)-2-octoxy-6-[[(2S,3R,4S,5R)-3,4,5-...	-	ME594064	-	-	2.8	469.2317
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-3-[(2S,3R,4...	-	ME594070	-	-	1.8	741.1937
(2S,3S,4S,5R,6R)-6-(3-benzoyloxy-2-hydroxypropoxy)...	-	ME594065	-	-	1.1	371.1003
3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl...	-	ME594118	-	-	2.1	579.139
3',4',5,7-Tetrahydroxy-3-methoxyflavone	-	ME594111	-	-	2.4	315.0528
3,4-Dimethoxy-2'-hydroxy-5'-methylchalcone	-	ME594112	-	-	4.6	297.1146
3,5,7,3',4'-Pentahydroxyflavanone	-	ME594113	-	-	2	303.0526
3,5-Dihydroxybenzoic acid	3,5-Dihydroxybenzoic acid	ME594114	-	-	3	153.0191
3',5'-Dimethoxy-3,5,7,4'-tetrahydroxyflavone	-	ME594115	-	-	4.6	345.0633
3,7-Dihydroxy-3',4'-dimethoxyflavone	-	ME594116	-	-	5.2	313.0735
3.alpha.-Mannobiose	-	ME594117	-	-	9.2	387.1166
3-Cyclopentene-1-octanoic acid, 2-(3-hydroxy-1-pen...	-	ME594119	-	-	5.8	307.1932
3-Hydroxy-3',4'-dimethoxyflavone	-	ME594120	-	-	5.4	297.0784
3-Hydroxybenzaldehyde	3-Hydroxybenzaldehyde	ME594121	-	-	1.1	121.0289
3-O-Feruloylquinic acid	3-O-Feruloylquinic acid	ME594122	-	-	1.4	367.1053
3-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[...	-	ME594123	-	-	3	471.132
4',5,7-Trihydroxy 3,6,8-trimethoxyflavone	-	ME594124	-	-	4.5	359.0793
4,5-Dicaffeoylquinic acid	-	ME594125	-	-	0.6	353.0898
4',5-Dihydroxy-7-methoxyflavanone	-	ME594126	-	-	5.5	285.0785
4-Deoxyphloridzin	-	ME594128	-	-	5.5	257.0833
4-[(E)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]...	-	ME594127	-	-	1.9	537.1068
4-Hydroxy-3-methoxyphenethyl alcohol	-	ME594129	-	-	0.6	167.0713
4-Isopropylbenzoic acid	4-Isopropylbenzoic acid	ME594130	-	-	3.2	163.0763
4-Pyridoxic acid	4-Pyridoxic acid	ME594131	-	-	1.3	138.0557
5,3'-Dihydroxy-6,7,4'-trimethoxyflavone	-	ME594132	-	-	5.3	343.0841
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5R)...	-	ME594133	-	-	2.6	417.0849
6,4'-Dimethoxy-7-hydroxyisoflavone	-	ME594134	-	-	5.9	297.0783
6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-o...	-	ME594135	-	-	2.6	491.0862
6-Hydroxy-2,6,10,10-tetramethyl-1-oxaspiro[4.5]dec...	-	ME594136	-	-	1.2	567.2694
6-O-Pentopyranosyl-1-O-[(2,6,6-trimethyl-1-cyclohe...	-	ME594137	-	-	3.3	507.2113
7-Keto-8-aminopelargonic acid	8-Amino-7-oxononanoic acid	ME594138	-	-	1	186.1138
8-Hydroxyquinoline-2-carbaldehyde	-	ME594139	-	-	2.2	144.0451
9,10-Dihydroxy-12Z-octadecenoic acid	9,10-DiHOME	ME594140	-	-	5.6	313.24
9,12,15-Octadecatrienoic acid, 3-(hexopyranosyloxy...	-	ME594141	-	-	5.8	559.3154
9-Hydroperoxy-10E,12Z,15Z-octadecatrienoic acid	-	ME594142	-	-	5.6	309.2088
9-Oxo-10E,12Z,15Z-octadecatrienoic acid	-	ME594143	-	-	5.9	291.1981
9-Oxo-11-(3-pentyl-2-oxiranyl)-10E-undecenoic acid	-	ME594144	-	-	5.749_5.714	291.1981_309.2088
9S-Hydroperoxy-10E,12Z-octadecadienoic acid	9S-HpODE	ME594145	-	-	6	293.2138
9S-Hydroxy-10E,12Z,15Z-octadecatrienoic acid	9S-HOTrE	ME594146	-	-	5.792_5.8	275.2032_293.2138
(+)-Abscisic acid	Abscisic acid	ME594056	-	-	2.914_2.92	153.0918_219.1397
Abscisic acid	Abscisic acid	ME594147	-	-	2.9	263.1302
Acetosyringone	Acetosyringone	ME594148	-	-	1.5	195.0666
Ala-Phe	Ala-Phe	ME594149	-	-	1.6	235.1098
Alternariol	-	ME594150	-	-	2.6	257.0468
Aminomethylphosphonic acid	-	ME594151	-	-	2	221.00987
Apigenin	Apigenin	ME594152	-	-	4.6	269.0471
Apigenin 7-glucoside	-	ME594153	-	-	2.8	431.1006
Asn-Ile	Asn-Ile	ME594154	-	-	0.9	244.1314
Asp-Leu	Asp-Leu	ME594155	-	-	0.9	245.11537
Atranorin	-	ME594156	-	-	0.7	163.0398
Avicularin	-	ME594157	-	-	2.4	433.0794
Baicalin	Baicalin	ME594158	-	-	2.8	445.0793
beta-D-Glucopyranoside, 2-phenylethyl 6-O-beta-D-x...	-	ME594159	-	-	1	461.1692
.beta.-Gentiobiose	beta-Gentiobiose	ME594066	-	-	0.6	387.1167
.beta.-Resorcylic acid	-	ME594067	-	-	2.6	153.0191
Caffeic acid	Caffeic acid	ME594160	-	-	0.9	179.0351
Caftaric acid	-	ME594161	-	-	1.817_1.875	293.0319_311.0425
Callistephin	-	ME594162	-	-	0.7	431.1008
Calycosin	-	ME594163	-	-	5.5	283.0628
(+)-Catechin	Catechin	ME594057	-	-	0.7	579.1544
Caulophyllogenin	-	ME594164	-	-	5.6	487.3457
Cer-AP t34:1	Cer 34:1;O3	ME594165	-	-	6.557_6.558	568.4974_614.5038
Cer-AP t40:1	Cer 40:1;O3	ME594166	-	-	6.9_6.908	652.5922_698.5987
Cer-AP t42:1	Cer 42:1;O3	ME594167	-	-	6.973_6.974	680.6233_726.6305
Cer-AP t42:2	Cer 42:2;O3	ME594168	-	-	6.9	724.6146
Cercosporamide	-	ME594169	-	-	3.9	313.03708
Chicoric acid	-	ME594170	-	-	1.807_1.835	236.0335_473.07498
Chlorogenic acid	Chlorogenic acid	ME594171	-	-	0.9	353.08972
Chromone-3-carboxylic acid	Chromone-3-carboxylic acid	ME594172	-	-	0.7	145.02896
cis-Aconitic acid	cis-Aconitic acid	ME594173	-	-	0.7	173.0092
Citric acid	Citric acid	ME594174	-	-	0.7	191.02
Coniferyl aldehyde	Coniferyl aldehyde	ME594175	-	-	2.251_2.257	162.0321_177.05576
Corilagin	Corilagin	ME594176	-	-	0.8	633.0774
Corosolic acid	-	ME594177	-	-	5.9	471.3506
Cyanidin-3-glucoside	-	ME594179	-	-	2.4	447.0956
Cyanidin-3-O-rhamnoside	-	ME594180	-	-	2.9	431.1012
Cyanidin cation	-	ME594178	-	-	2.9	285.042
Cynarin	-	ME594181	-	-	0.8	353.0898
Daphnetin	-	ME594183	-	-	1	177.0195
Delphinidin 3-galactoside cation	-	ME594184	-	-	0.6	481.1003
Delphinidin-3-O-(2''-O-beta-xylopyranosyl-beta-glu...	-	ME594185	-	-	1.7	595.1344
Delphinidin-3-O-beta-glucopyranoside	-	ME594186	-	-	0.9	463.0909
DGDG 34:2	DGDG 34:2	ME594187	-	-	6.6	961.617
DGDG 34:3	DGDG 34:3	ME594188	-	-	6.5	959.6011
Dicumarol	Dicumarol	ME594189	-	-	4.7	335.0555
Digalacturonic acid	Digalacturonic acid	ME594190	-	-	1.3	175.0249
Dihydromyricetin	Dihydromyricetin	ME594191	-	-	1.3	319.0474
Dinor-12-oxophytodienoic acid	-	ME594192	-	-	5.4	263.1667
DL-3,4-Dihydroxyphenyl glycol	3,4-Dihydroxyphenylglycol	ME594193	-	-	4.7	151.04
DL-3-Phenyllactic acid	Phenyllactic acid	ME594194	-	-	2	165.0556
DL-Arginine	Arginine	ME594195	-	-	9.6	173.1044
DL-Isocitric acid lactone	-	ME594196	-	-	0.6	173.00917
D-Mannose 6-phosphate	Mannose 6-phosphate	ME594197	-	-	1.2	259.0238
Dodecanedioic acid	Dodecanedioic acid	ME594198	-	-	2.9	229.1454
D-Saccharic acid 1,4-lactone	-	ME594199	-	-	1.6	173.0092
D-Tartaric acid	-	ME594200	-	-	9.1	149.0089
D-(+)-Trehalose	Trehalose	ME594182	-	-	5.4	387.1168
Ellagic acid	Ellagic acid	ME594201	-	-	2	301.0006
Engeletin	-	ME594202	-	-	2.5	287.0576
Epiafzelechin (2R,3R)(-)	-	ME594203	-	-	1.5	273.0784
Epicatechin	Epicatechin	ME594204	-	-	1.1	289.0732
(-)-Epigallocatechin	Epigallocatechin	ME594052	-	-	0.6	287.0576
Epigallocatechin gallate	-	ME594205	-	-	0.9	169.0142
Eriodictyol-7-O-glucoside	-	ME594206	-	-	2.1	449.1107
Ethyl gallate	-	ME594207	-	-	1.3	197.0459
Ethyl p-coumarate	-	ME594208	-	-	4.1	191.0717
Ethyl trans-caffeate	-	ME594209	-	-	3.2	207.0669
FAHFA 18:1	FAHFA 18:1;O	ME594210	-	-	5.5	311.2244
Ferulic acid	trans-Ferulic acid	ME594211	-	-	1.7	193.051
Fisetin	-	ME594212	-	-	3.9	285.0421
Flavanomarein	-	ME594213	-	-	4.2	287.0578
Fumarprotocetraric acid	Fumarprotocetraric acid	ME594214	-	-	1.4	355.0479
Galactinol	Galactinol	ME594215	-	-	9.2	341.1106
.gamma.-Glu-Cys	gamma-Glutamylcysteine	ME594068	-	-	1.3	249.0563
.gamma.-Glutamyl-(S)-allyl-L-cysteine	-	ME594069	-	-	-	271.0772_579.1835_289.0878
GlcADG 34:2	DGGA 34:2	ME594216	-	-	6.7	767.5363
GlcADG 36:4	DGGA 36:4	ME594217	-	-	6.7	791.5364
Gln-Leu	Gln-Leu	ME594218	-	-	0.9	258.1473
Gln-Phe	Gln-Phe	ME594219	-	-	1.4	292.1319
Glu-Leu	Glu-Leu	ME594220	-	-	1.1	259.1313
Glu-Phe	Glu-Phe	ME594221	-	-	1.6	293.1161
Glycyl-L-norleucine	-	ME594222	-	-	1	187.1091
Gly-Phe	Gly-Phe	ME594223	-	-	1.4	221.0939
Gossypetin 3-methylether	-	ME594224	-	-	3.9	331.0477
Gossypin	Gossypin	ME594225	-	-	2.5	479.086
Guaiaverin	-	ME594226	-	-	2.239_2.248	433.0799_867.1686
HexCer-AP t34:1	HexCer 34:1;O3	ME594227	-	-	6.388_6.386	730.5521_776.5584
HexCer-AP t38:1	HexCer 38:1;O3	ME594228	-	-	6.6	832.6215
HexCer-NS d34:2	HexCer 34:2;O2	ME594229	-	-	6.5	742.5529
(-)-Homoeriodictyol	-	ME594053	-	-	2	151.0035
Hydroferulic acid	Dihydroferulic acid	ME594230	-	-	1.4	195.0666
Ideain	-	ME594231	-	-	0.8	447.0958
Ile-Gly-Ile	Ile-Gly-Ile	ME594232	-	-	3.2	300.1945
Ile-Leu	Ile-Leu	ME594233	-	-	2.7	243.1726
Ile-Phe	Ile-Phe	ME594234	-	-	3.4	277.1573
Isochlorogenic acid b	-	ME594235	-	-	0.7	353.0896
Isoquercitin	-	ME594236	-	-	2.1	463.0909
Isorhamnetin	Isorhamnetin	ME594237	-	-	4.7	315.0528
Isorhamnetin-3-glucoside	-	ME594238	-	-	2.6	477.1063
Isorhamnetin-3-O-rutinoside	Isorhamnetin-3-O-rutinoside	ME594239	-	-	2.5	623.1657
Jasmonic acid	Jasmonic acid	ME594240	-	-	3.4	209.1189
Jasmonyl isoleucine	-	ME594241	-	-	5	322.20401
Kaempferol-3-O-glucoside	Kaempferol-3-O-glucoside	ME594242	-	-	0.6	447.0959
Kaempferol-7-O-neohesperidoside	Kaempferol-7-O-neohesperidoside	ME594243	-	-	2.6	593.155
Ketoprofen .beta.-D-glucuronide	-	ME594244	-	-	4.2	429.1215
L-(-)-3-Phenyllactic acid	L-3-Phenyllactic acid	ME594245	-	-	1.2	165.0557
L-Alanyl-L-norleucine	-	ME594246	-	-	1.1	201.1249
Leu-Gly-Leu	Leu-Gly-Leu	ME594247	-	-	2.2	300.1945
Leu-Ile	Leu-Ile	ME594248	-	-	3.1	243.1725
Leu-Pro	Leu-Pro	ME594249	-	-	1.5	227.141
L-Glutamic acid	Glutamic acid	ME594250	-	-	1.1	146.0456
Linoleic acid	Linoleic acid	ME594251	-	-	6.3	279.2344
Lithospermic acid	-	ME594252	-	-	2	493.1165
LPA 16:0	LPA 16:0	ME594253	-	-	6.1	409.2383
LPC 12:0	LPC 12:0	ME594254	-	-	5.5	484.2709
LPC 14:0	LPC 14:0	ME594255	-	-	5.7	512.3023
LPC 16:0	LPC 16:0	ME594256	-	-	5.9	540.3338
LPC 16:1	LPC 16:1	ME594257	-	-	5.8	538.3184
LPC 18:2	LPC 18:2	ME594258	-	-	5.8	564.334
LPC 18:3	LPC 18:3	ME594259	-	-	5.8	562.3184
LPC 20:2	LPC 20:2	ME594260	-	-	6	592.366
LPE 15:0	LPE 15:0	ME594261	-	-	5.8	438.2651
LPE 16:0	LPE 16:0	ME594262	-	-	5.9	452.2808
LPE 16:1	LPE 16:1	ME594263	-	-	5.8	450.2653
LPE 18:0	LPE 18:0	ME594264	-	-	6	480.3124
LPE 18:1	LPE 18:1	ME594265	-	-	5.9	478.2967
LPE 18:2	LPE 18:2	ME594266	-	-	5.8	476.2809
LPE 18:3	LPE 18:3	ME594267	-	-	5.7	474.2654
LPE 20:0	LPE 20:0	ME594268	-	-	6.1	508.3439
LPE 22:0	LPE 22:0	ME594269	-	-	6.3	536.3753
LPG 16:0	LPG 16:0	ME594270	-	-	5.8	483.2755
LPG 18:2	LPG 18:2	ME594271	-	-	5.8	507.2758
LPG 18:3	LPG 18:3	ME594272	-	-	5.7	505.2604
LPI 16:0	LPI 16:0	ME594273	-	-	5.6	571.2925
LPI 18:3	LPI 18:3	ME594274	-	-	5.5	593.2771
L-Tryptophan	Tryptophan	ME594275	-	-	1.195_1.258	407.1747_203.08308
Luteolin 7-glucoside	-	ME594276	-	-	1.8	447.0957
Madecassic acid	-	ME594277	-	-	5.7	485.33
Malioxamycin	-	ME594278	-	-	0.7	133.0138
Malvidin 3,5-diglucoside cation	-	ME594279	-	-	1.8	509.1316
Maritimein	-	ME594280	-	-	3.8	283.0263
Medicagenic acid	-	ME594281	-	-	5.4	501.3251
MGDG 34:3	MGDG 34:3	ME594282	-	-	6.7	797.5474
MGDG 36:5	MGDG 36:5	ME594283	-	-	6.6	821.5476
MGDG 36:6	MGDG 36:6	ME594284	-	-	6.6	819.5317
m-Hydroxybenzoylecgonine	-	ME594285	-	-	1.7	137.024
Myricetin	Myricetin	ME594286	-	-	3	317.0318
N-Acetylleucine	N-Acetylleucine	ME594288	-	-	0.8	172.098
N-Acetyl-L-phenylalanine	N-Acetylphenylalanine	ME594289	-	-	1.2	206.0827
N-Acetyltryptophan	N-Acetyl-tryptophan	ME594290	-	-	1.8	245.0942
Naringenin	Naringenin	ME594291	-	-	4.8	271.0627
naringenin-7-O-glucoside	Naringenin-7-O-glucoside	ME594292	-	-	2.6	433.1165
Narirutin	Narirutin	ME594293	-	-	2.6	271.0625
N-Caffeoyl-O-methyltyramine	-	ME594294	-	-	3.2	312.1257
NCGC00380817-01_C15H20O9_	-	ME594295	-	-	2.3	343.1053
Neochlorogenic acid	-	ME594296	-	-	0.7	707.1878
N-Methyl-L-phenylalanine	-	ME594297	-	-	1.9	147.0448
N-(Phenylacetyl)-L-phenylalanine	-	ME594287	-	-	0.9	164.0715
Oenin	-	ME594299	-	-	1.5	491.1225
omega-Benzoyloxyphloracetophenone	-	ME594300	-	-	2.2	287.0576
O,O-Dimethyl dithiophosphate	-	ME594298	-	-	4.7	156.955
OxPI 34:2+1O	PI 34:2	ME594301	-	-	6.2	849.5185
PA 36:5	PA 36:5	ME594302	-	-	9.2	693.4546
PA 38:5	PA 38:5	ME594303	-	-	6.2	721.47217
PA 38:6	PA 38:6	ME594304	-	-	6.3	719.4557
Palatinose	Palatinose	ME594305	-	-	1.7	221.0674
PC 36:4	PC 36:4	ME594306	-	-	6.7	826.5662
PC 36:5	PC 36:5	ME594307	-	-	6.6	824.5505
PE 34:3	PE 34:3	ME594308	-	-	6.6	712.4974
PE 36:4	PE 36:4	ME594309	-	-	6.6	738.5131
PE 36:5	PE 36:5	ME594310	-	-	6.6	736.4975
Pelargonidin cation	-	ME594311	-	-	2.4	269.0469
Petunidin 3-glucoside cation	-	ME594312	-	-	1.3	477.1056
PG 32:1	PG 32:1	ME594313	-	-	6.3	719.4919
PG 34:3	PG 34:3	ME594314	-	-	9.3	743.4918
Phe-Glu	Phe-Glu	ME594315	-	-	1	293.1158
Phenylpyruvic acid	Phenylpyruvic acid	ME594316	-	-	1.4	163.0399
Pheophorbide a	Pheophorbide a	ME594317	-	-	6.4	591.2649
Phloretin	Phloretin	ME594318	-	-	3.2	273.0783
Phlorizin	Phlorizin	ME594319	-	-	3.2	435.1319
Phloroglucinocarboxaldehyde	-	ME594320	-	-	2	153.0191
Phloroglucinolcarboxylic acid	-	ME594321	-	-	1.2	169.0142
Phytic acid	Myo-inositol hexakisphosphate	ME594322	-	-	9.6	658.8585
Pinocembrin	-	ME594323	-	-	5.5	255.0675
Pinocembrine	-	ME594324	-	-	4.2	255.0676
(+)-Pinoresinol	Pinoresinol	ME594058	-	-	3	357.136
Polydatin	Piceid	ME594325	-	-	1.9	435.1321
Procyanidin A2	-	ME594326	-	-	1.9	575.123
Procyanidin B1	Procyanidin B1	ME594327	-	-	1.5	577.1387
Procyanidin B2	Procyanidin B2	ME594328	-	-	0.7	577.1386
Procyanidin C1	-	ME594329	-	-	0.6	865.2047
Purpurin	Purpurin	ME594330	-	-	4	255.03119
Quercetagetin-7-O-glucoside	-	ME594331	-	-	3.1	479.0859
Quercetagetinidin cation	-	ME594332	-	-	4.4	299.0213
Quercetin	Quercetin	ME594333	-	-	3.8	603.082
Quercetin 3,4'-di-O-glucoside	-	ME594334	-	-	2.9	463.0908
Quercetin 3-glucoside	Quercetin 3-glucoside	ME594335	-	-	2	927.1903
Quercetin-3-O-alpha-L-rhamnopyranoside	-	ME594339	-	-	2.5	447.0954
Quercetin 3-O-.beta.-D-glucose-6'-acetate	-	ME594336	-	-	2.8	505.1019
quercetin-3-O-deoxyhexosyl(1-2)pentoside	-	ME594340	-	-	2.6	579.1392
Quercetin-3-O-glucose-6''-acetate	-	ME594341	-	-	2.4	505.1019
quercetin 3-O-glucuronide	-	ME594337	-	-	2.1	477.0699
Quercetin 3-O-malonylglucoside	Quercetin 3-O-malonylglucoside	ME594338	-	-	2.4	549.092
(-)-Quinic acid	Quinic acid	ME594054	-	-	0.7	191.0562
Rhamnetin	-	ME594342	-	-	4.4	315.053
Rhoifolin	-	ME594343	-	-	1.8	577.1599
ROSMARINIC ACID	Rosmarinic acid	ME594344	-	-	2.7	359.079
Rutin	Rutin	ME594345	-	-	2	609.1502
Salvianolic acid B	-	ME594346	-	-	3.2	717.1511
Scutellarin	-	ME594347	-	-	2.4	461.0753
Sebacic acid	Sebacic acid	ME594348	-	-	2	201.1137
Ser-Leu	Ser-Leu	ME594349	-	-	0.9	217.1201
Ser-Phe	Ser-Phe	ME594350	-	-	1.3	251.105
Sinapic acid	Sinapic acid	ME594351	-	-	1.8	223.062
Spiraeoside	-	ME594352	-	-	3.2	463.0908
SQDG 31:1	SQDG 31:1	ME594353	-	-	6.3	777.4879
SQDG 32:0	SQDG 32:0	ME594354	-	-	9.2	793.5198
SQDG 34:2	SQDG 34:2	ME594355	-	-	6.4	817.519
SQDG 34:3	SQDG 34:3	ME594356	-	-	9.2	815.5043
SQDG 36:3	SQDG 36:3	ME594357	-	-	9.2	843.5356
SQDG 36:6	SQDG 36:6	ME594358	-	-	9.2	837.4887
Sucrose	Sucrose	ME594359	-	-	5.388_5.409	341.1048_377.0878
Syringetin 3-glucoside	-	ME594360	-	-	2.6	507.1173
Theaflavin	Theaflavin	ME594361	-	-	3.6	563.1228
Thr-Leu	Thr-Leu	ME594362	-	-	1.1	231.1359
Thr-Phe	Thr-Phe	ME594363	-	-	1.5	265.12088
Thr-Val-Leu	Thr-Val-Leu	ME594364	-	-	2.3	330.2054
Tiliroside	-	ME594365	-	-	3.8	593.1342
trans-3,5-Dimethoxy-4-hydroxycinnamaldehyde	Sinapoyl aldehyde	ME594366	-	-	1.9	207.0668
trans-Ferulic acid	trans-Ferulic acid	ME594367	-	-	2.4	193.0509
trans-Traumatic acid	Traumatic acid	ME594368	-	-	4.1	227.1297
Tricin methyl ether	-	ME594369	-	-	5.5	343.0841
Tryptophan	Tryptophan	ME594370	-	-	1.2	203.0831
Tyr-Leu	Tyr-Leu	ME594371	-	-	2.2	293.1524
(+)-Usnic acid	-	ME594059	-	-	6.3	343.0841
Vaccenic acid	cis-Vaccenic acid	ME594372	-	-	6.3	281.25
Val-Ile	Val-Ile	ME594373	-	-	1.4	229.1567
Val-Leu	Val-Leu	ME594374	-	-	1.9	229.1566
Val-Phe	Val-Phe	ME594375	-	-	2.5	263.1416
y-Linolenic acid	gamma-Linolenic acid	ME594376	-	-	6.2	277.2187