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

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

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

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

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

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

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