Metabolomics Workbench : NIH Data Repository : Analyze Studies

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
cyclohexylamine	Cyclohexylamine	ME541716	-	-	6.46	100.1120
cadaverine	Cadaverine	ME541679	-	-	9.52	103.1229
dimethylglycine	Dimethylglycine	ME541723	-	-	8.54	104.0705
GABA	gamma-Aminobutyric acid	ME541726	-	-	7.57	104.0705
choline	Choline	ME541712	-	-	8.38	104.1069
serine	Serine	ME541804	-	-	7.71	106.0499
cytosine	Cytosine	ME541719	-	-	6.20	112.0506
histamine	Histamine	ME541736	-	-	9.41	112.0870
creatinine	Creatinine	ME541715	-	-	6.50	114.0663
proline	Proline	ME541793	-	-	8.13	116.0707
guanidinoacetic acid	Guanidoacetic acid	ME541733	-	-	7.86	118.0612
betaine	Betaine	ME541674	-	-	8.99	118.0863
valine	Valine	ME541822	-	-	7.44	118.0863
threonine	Threonine	ME541811	-	-	7.69	120.0656
trimethylbenzene	Trimethylbenzene	ME541814	-	-	1.56	121.1012
niacinamide	Niacinamide	ME541777	-	-	3.74	123.0555
nicotinate	Nicotinic acid	ME541778	-	-	3.63	124.0393
taurine	Taurine	ME541809	-	-	6.06	126.0219
5-methylcytosine	5-Methylcytosine	ME541652	-	-	6.49	126.0660
1-methylhistamine	1-Methylhistamine	ME541632	-	-	9.90	126.1025
valine-d8	Valine	ME541627	-	-	7.46	126.1364
imidazoleacetic acid	Imidazoleacetic acid	ME541744	-	-	8.20	127.0501
pyroglutamic acid	Pyroglutamic acid	ME541799	-	-	6.42	130.0496
N-methylproline	N-Methyl-proline	ME541780	-	-	8.63	130.0860
pipecolic acid	Pipecolic acid	ME541791	-	-	8.00	130.0861
N-acetylputrescine	N-Acetylputrescine	ME541773	-	-	7.99	131.1176
agmatine	Agmatine	ME541662	-	-	9.36	131.1289
hydroxyproline	Hydroxyproline	ME541741	-	-	7.93	132.0652
N-acetylalanine	N-Acetylalanine	ME541766	-	-	3.72	132.0652
beta-guanidinopropionic acid	3-Guanidinopropanoic acid	ME541673	-	-	7.47	132.0765
creatine	Creatine	ME541714	-	-	8.33	132.0765
alloisoleucine	Alloisoleucine	ME541665	-	-	8.21	132.1016
isoleucine	Isoleucine	ME541746	-	-	7.14	132.1016
leucine	Leucine	ME541749	-	-	7.01	132.1016
asparagine	Asparagine	ME541669	-	-	8.04	133.0604
N-carbamoyl-beta-alanine	Ureidopropionic acid	ME541776	-	-	4.09	133.0605
ornithine	Ornithine	ME541785	-	-	9.42	133.0968
aspartate	Aspartic acid	ME541670	-	-	8.40	134.0444
hypoxanthine	Hypoxanthine	ME541742	-	-	4.81	137.0453
1-methylnicotinamide	1-Methyl nicotinamide	ME541634	-	-	8.32	137.0704
trigonelline	Trigonelline	ME541812	-	-	8.88	138.0545
tyramine	Tyramine	ME541817	-	-	6.32	138.0908
urocanic acid	Urocanic acid	ME541821	-	-	4.67	139.0497
imidazole propionate	Imidazole propanoate	ME541743	-	-	7.45	141.0653
methylimidazoleacetic acid	Methylimidazoleacetic acid	ME541756	-	-	8.89	141.0653
histidinol	L-Histidinol	ME541738	-	-	9.24	142.0971
ectoine	Ectoine	ME541725	-	-	8.95	143.0810
proline-betaine	Proline betaine	ME541794	-	-	9.28	144.1014
4-acetamidobutanoate	4-Acetamidobutanoic acid	ME541643	-	-	3.49	146.0807
4-guanidinobutanoic acid	4-Guanidinobutanoic acid	ME541644	-	-	7.20	146.0919
acetylcholine	Acetylcholine	ME541658	-	-	7.81	146.117
2-aminoheptanoic acid	2-Aminoheptanoic acid	ME541635	-	-	6.69	146.1170
butyrobetaine	3-Dehydroxycarnitine	ME541678	-	-	8.86	146.1170
spermidine	Spermidine	ME541808	-	-	10.95	146.1647
glutamine	Glutamine	ME541729	-	-	8.08	147.0759
lysine	Lysine	ME541751	-	-	9.52	147.1123
glutamate	Glutamic acid	ME541728	-	-	7.60	148.0599
methionine	Methionine	ME541752	-	-	7.10	150.0578
S-methyl-L-cysteine-S-oxide	S-Methylcysteine S-oxide	ME541806	-	-	8.62	152.0378
guanine	Guanine	ME541734	-	-	5.35	152.0562
acetaminophen	Acetaminophen	ME541657	-	-	1.97	152.0701
"6,8-dihydroxypurine"	6,8-Dihydroxypurine	ME541653	-	-	4.23	153.0402
xanthine	Xanthine	ME541824	-	-	3.65	153.0402
N1-methyl-2-pyridone-5-carboxamide	N1-Methyl-2-pyridone-5-carboxamide	ME541761	-	-	4.31	153.0654
3-hydroxyanthranilic acid	3-Hydroxyanthranilic acid	ME541639	-	-	1.80	154.0494
N-acetylhistamine	N-Acetylhistamine	ME541769	-	-	7.80	154.0969
histidine	Histidine	ME541737	-	-	9.67	156.0763
5-hydroxymethyl-4-methylurate	-	ME541649	-	-	3.52	157.0604
ala-ala	Ala-Ala	ME541663	-	-	7.91	161.0916
tryptamine	Tryptamine	ME541815	-	-	6.16	161.1068
carnitine	Carnitine	ME541681	-	-	8.91	162.1119
5-hydroxylysine	5-Hydroxylysine	ME541648	-	-	9.41	163.1073
pterin	Pterin	ME541796	-	-	4.77	164.0561
methionine sulfoxide	Methionine sulfoxide	ME541753	-	-	8.71	166.0527
7-methylguanine	7-Methylguanine	ME541655	-	-	5.77	166.0718
1-methylguanine	1-Methylguanine	ME541630	-	-	5.29	166.0719
methyl N-methylanthranilate	Methyl N-methylanthranilate	ME541754	-	-	1.96	166.0858
phenylalanine	Phenylalanine	ME541789	-	-	6.77	166.0858
3-methylxanthine	3-Methylxanthine	ME541642	-	-	3.31	167.0559
7-methylxanthine	7-Methylxanthine	ME541656	-	-	3.91	167.0559
3-methoxytyramine	3-Methoxytyramine	ME541640	-	-	6.41	168.1014
urate	Uric acid	ME541819	-	-	4.22	169.0351
pyridoxine	Pyridoxine	ME541798	-	-	6.08	170.0806
1-methylhistidine	1-Methylhistidine	ME541633	-	-	10.70	170.0919
3-methylhistidine	3-Methylhistidine	ME541641	-	-	10.10	170.0920
metronidazole	Metronidazole	ME541758	-	-	2.71	172.0710
N-acetylleucine	N-Acetylleucine	ME541770	-	-	2.75	174.1120
phenylalanine-d8	Phenylalanine	ME541626	-	-	6.78	174.1360
N-acetylornithine	N-Acetylornithine	ME541772	-	-	8.44	175.1073
arginine	Arginine	ME541668	-	-	9.29	175.1185
"N6,N6-dimethyllysine"	N(6),N(6)-Dimethyl-lysine	ME541763	-	-	10.47	175.1436
N-acetylaspartic acid	N-Acetylaspartic acid	ME541767	-	-	4.28	176.0549
citrulline	Citrulline	ME541713	-	-	8.39	176.1025
serotonin	Serotonin	ME541805	-	-	6.30	177.1018
isoxanthopterin	Isoxanthopterin	ME541747	-	-	4.21	180.0511
xanthopterin	Xanthopterin	ME541825	-	-	4.72	180.0511
hippurate	Hippuric acid	ME541735	-	-	2.51	180.0650
glucosamine	Glucosamine	ME541727	-	-	7.60	180.0862
7-aminomethyl-7-carbaguanine	7-Aminomethyl-7-carbaguanine	ME541654	-	-	7.39	180.0874
tyrosine	Tyrosine	ME541818	-	-	6.85	182.0807
4-pyridoxate	4-Pyridoxic acid	ME541645	-	-	4.71	184.0600
phosphocholine	Choline phosphate	ME541790	-	-	10.78	184.0728
N1-acetylspermidine	N1-Acetylspermidine	ME541759	-	-	10.09	188.1753
N-acetylglutamine	N-Acetylglutamine	ME541768	-	-	6.92	189.0865
N6-acetyllysine	N6-Acetyllysine	ME541765	-	-	8.40	189.1228
homoarginine	Homoarginine	ME541739	-	-	9.32	189.1341
NMMA	Targinine	ME541782	-	-	9.52	189.1341
"N6,N6,N6-trimethyllysine"	N-6-Trimethyllysine	ME541764	-	-	11.51	189.1593
kynurenic acid	Kynurenic acid	ME541748	-	-	5.22	190.0493
homocitrulline	Homocitrulline	ME541740	-	-	8.37	190.1182
N-methylserotonin	N-Methylserotonin	ME541781	-	-	6.32	191.1173
N-acetylmethionine	N-Acetylmethionine	ME541771	-	-	3.47	192.0686
caffeine	Caffeine	ME541680	-	-	2.86	195.0873
"1,7-dimethyluric acid"	1,7-Dimethyluric acid	ME541628	-	-	3.49	197.0665
5-acetylamino-6-amino-3-methyluracil	5-Acetylamino-6-amino-3-methyluracil	ME541646	-	-	5.27	199.0821
DMGV	DMGV	ME541724	-	-	7.91	202.1183
ADMA	Dimethylarginine	ME541661	-	-	9.94	203.1497
SDMA	Symmetric dimethylarginine	ME541803	-	-	9.82	203.1497
C2 carnitine	CAR 2:0	ME541682	-	-	8.75	204.1225
tryptophan	Tryptophan	ME541816	-	-	6.55	205.0965
pantothenol	Pantothenol	ME541787	-	-	3.87	206.1381
dethiobiotin	Dethiobiotin	ME541721	-	-	3.65	215.1384
N-alpha-acetylarginine	Pelargonidin	ME541775	-	-	8.20	217.1288
C3 carnitine	CAR 3:0	ME541683	-	-	8.38	218.1380
pantothenate	Pantothenic acid	ME541786	-	-	3.14	220.1173
5-hydroxytryptophan	5-Hydroxy-tryptophan	ME541650	-	-	6.55	221.0913
acetyl-galactosamine	N-Acetylgalactosamine	ME541659	-	-	5.34	222.0965
carnosine	Carnosine	ME541709	-	-	9.93	227.1131
2-deoxycytidine	Deoxycytidine	ME541637	-	-	6.00	228.0971
C4 carnitine	CAR 4:0	ME541685	-	-	8.08	232.1535
cystine	Cystine	ME541717	-	-	9.20	241.0303
anserine	Anserine	ME541667	-	-	10.67	241.1288
cytidine	Cytidine	ME541718	-	-	5.88	244.0919
C5:1 carnitine	CAR 5:1	ME541688	-	-	7.91	244.1535
pseudouridine	Pseudouridine	ME541795	-	-	4.11	245.0759
biotin	Biotin	ME541677	-	-	3.88	245.0947
N1-acetylspermine	N1-Acetylspermine	ME541760	-	-	11.47	245.2327
C5 carnitine	CAR 5:0	ME541687	-	-	7.83	246.1690
N-acetyltryptophan	N-Acetyl-tryptophan	ME541774	-	-	2.79	247.1068
C4-OH carnitine	CAR 4:0;OH	ME541686	-	-	8.90	248.1483
2-deoxyadenosine	Deoxyadenosine	ME541636	-	-	5.19	252.1082
5-methylcytidine	5-Methylcytidine	ME541651	-	-	6.03	258.1076
alpha-glycerophosphocholine	sn-Glycero-3-phosphocholine	ME541666	-	-	10.59	258.1092
N-lauroylglycine	NA-Gly 12:0	ME541779	-	-	2.35	258.2054
ribothymidine	Ribothymidine	ME541800	-	-	3.01	259.0914
C6 carnitine	CAR 6:0	ME541690	-	-	7.56	260.1847
C3-DC-CH3 carnitine	CAR 3:0;2Me	ME541684	-	-	8.60	262.1276
thiamine	Thiamine	ME541810	-	-	9.94	265.1108
phenylacetylglutamine	alpha-N-Phenylacetylglutamine	ME541788	-	-	4.56	265.1165
atenolol	Atenolol	ME541671	-	-	6.93	267.1696
deoxyguanosine	Deoxyguanosine	ME541720	-	-	5.35	268.1030
adenosine	Adenosine	ME541660	-	-	5.01	268.1031
inosine	Inosine	ME541745	-	-	4.84	269.0870
vitamin A	Retinol	ME541823	-	-	1.54	269.2253
C7 carnitine	CAR 7:0	ME541691	-	-	7.43	274.2002
C5-DC carnitine	CAR DC5:0	ME541689	-	-	8.39	276.1431
1-methyladenosine	1-Methyladenosine	ME541629	-	-	7.75	282.1186
O-methyladenosine	O-Methyladenosine	ME541784	-	-	4.47	282.1186
xanthosine	Xanthosine	ME541826	-	-	4.29	285.0827
piperine	Piperine	ME541792	-	-	1.93	286.1426
diacetylspermine	N1,N12-Diacetylspermine	ME541722	-	-	9.72	287.2431
C8 carnitine	CAR 8:0	ME541692	-	-	7.33	288.2157
methylthioadenosine	Methylthioadenosine	ME541757	-	-	4.23	298.0957
1-methylguanosine	1-Methylguanosine	ME541631	-	-	5.08	298.1135
sphingosine A	-	ME541872	-	-	1.97	300.2885
sphingosine B	-	ME541873	-	-	2.36	300.2885
sphingosine C	-	ME541874	-	-	5.74	300.2885
sphingosine D	-	ME541875	-	-	5.82	300.2885
C9 carnitine	CAR 9:0	ME541693	-	-	7.22	302.2313
sphinganine	Sphinganine	ME541877	-	-	5.84	302.3040
"N2,N2-dimethylguanosine"	N2,N2-Dimethylguanosine	ME541762	-	-	5.62	312.1276
C10:2 carnitine	CAR 10:2	ME541695	-	-	7.25	312.2156
3-(N-acetyl-L-cystein-S-yl) acetaminophen	3-(N-Acetyl-L-cystein-S-yl) acetaminophen	ME541638	-	-	4.97	313.0840
C10 carnitine	CAR 10:0	ME541694	-	-	7.13	316.2469
phytosphingosine	Phytosphingosine	ME541876	-	-	5.92	318.2989
linoleoyl ethanolamide	Linoleoyl-EA	ME541750	-	-	1.96	324.2884
oleoyl glycine	NA-Gly 18:1(9Z)	ME541783	-	-	2.19	340.2832
C12:1 carnitine	CAR 12:1	ME541697	-	-	6.97	342.2625
cellobiose	Cellobiose	ME541710	-	-	6.46	343.1220
C12 carnitine	CAR 12:0	ME541696	-	-	6.94	344.2781
C-glycosyltryptophan	C-Glycosyltryptophan	ME541711	-	-	7.13	367.1486
C14:2 carnitine	CAR 14:2	ME541700	-	-	6.85	368.2779
C14:1 carnitine	CAR 14:1	ME541699	-	-	6.79	370.2937
5-alpha-cholestanol	Dihydrocholesterol	ME541647	-	-	1.71	371.3660
C14 carnitine	CAR 14:0	ME541698	-	-	6.79	372.3093
solanidine	Solanidine	ME541807	-	-	5.93	398.3403
s-adenosylmethionine	S-Adenosylmethionine	ME541801	-	-	10.48	399.1431
C16 carnitine	CAR 16:0	ME541701	-	-	6.67	400.3408
C16-OH carnitine	CAR 16:0;OH	ME541702	-	-	7.14	416.3354
C18:2 carnitine	CAR 18:2	ME541706	-	-	6.63	424.3406
C18:1 carnitine	CAR 18:1	ME541704	-	-	6.58	426.3562
C18 carnitine	CAR 18:0	ME541703	-	-	6.56	428.3719
C18:1-OH carnitine	CAR 18:1;OH	ME541705	-	-	7.05	442.3511
glycodeoxycholate/glycochenodeoxycholate	Glycodeoxycholic acid	ME541732	-	-	4.24	450.3198
C16:0 LPE	LPE 16:0	ME541842	-	-	6.31	454.2912
C20 carnitine	CAR 20:0	ME541707	-	-	6.47	456.4035
glycocholate	Glycocholic acid	ME541731	-	-	5.26	466.3146
C14:0 LPC	LPC 14:0	ME541827	-	-	7.95	468.3068
C18:3 LPE	LPE 18:3	ME541843	-	-	6.31	476.2736
C18:2 LPE	LPE 18:2	ME541844	-	-	6.28	478.2915
C18:1 LPE	LPE 18:1	ME541845	-	-	6.26	480.3070
C16:1 LPC plasmalogen	LPC P-16:1 or LPC O-16:2	ME541839	-	-	7.65	480.3433
C18:0 LPE-B	LPE 18:0	ME541847	-	-	7.88	482.3227
C18:0 LPE-A	LPE 18:0	ME541846	-	-	6.24	482.3228
C16:1 LPC	LPC 16:1	ME541828	-	-	7.86	494.3226
C16:0 LPC	LPC 16:0	ME541829	-	-	7.81	496.3383
C20:4 LPE	LPE 20:4	ME541848	-	-	6.26	502.2890
C20:1 LPE	LPE 20:1	ME541849	-	-	7.79	508.3382
C18:1 LPC plasmalogen-A	LPC P-18:0 or LPC O-18:1	ME541840	-	-	7.86	508.3744
C18:1 LPC plasmalogen-B	LPC P-18:0 or LPC O-18:1	ME541841	-	-	7.53	508.3747
C20:0 LPE	LPE 20:0	ME541850	-	-	7.75	510.3540
C18:3 LPC	LPC 18:3	ME541830	-	-	7.82	518.3203
C18:2 LPC	LPC 18:2	ME541831	-	-	7.81	520.3380
C18:1 LPC	LPC 18:1	ME541832	-	-	7.75	522.3541
C18:0 LPC	LPC 18:0	ME541833	-	-	7.70	524.3697
C16:0 ceramide (d18:1)	Cer 18:1;O2/16:0	ME541878	-	-	1.83	538.5181
C26 carnitine	CAR 26:0	ME541708	-	-	6.26	540.4973
C20:5 LPC	LPC 20:5	ME541834	-	-	7.81	542.3202
C20:4 LPC	LPC 20:4	ME541835	-	-	7.75	544.3361
C20:3 LPC	LPC 20:3	ME541836	-	-	7.57	546.3516
C20:1 LPC	LPC 20:1	ME541837	-	-	7.62	550.3855
biliverdin	Biliverdin	ME541676	-	-	1.96	583.2533
bilirubin	Bilirubin	ME541675	-	-	1.65	585.2686
urobilin	L-Urobilin	ME541820	-	-	6.61	595.3468
C24:0 LPC	LPC 24:0	ME541838	-	-	7.39	608.4630
C24:1 ceramide (d18:1)	Cer 18:1;O2/24:1	ME541879	-	-	1.78	648.6263
C14:0 SM	SM 18:1;O2/14:0	ME541865	-	-	7.35	675.5400
C34:3 PE plasmalogen	PE P-34:2 or PE O-34:3	ME541860	-	-	5.48	700.5244
C16:1 SM	SM 18:1;O2/16:1	ME541866	-	-	7.27	701.5560
C34:2 PE plasmalogen	PE P-34:1 or PE O-34:2	ME541861	-	-	5.49	702.5387
C16:0 SM	SM 18:1;O2/16:0	ME541867	-	-	7.26	703.5716
C30:0 PC	PC 30:0	ME541851	-	-	6.74	706.5351
C34:2 PE	PE 34:2	ME541856	-	-	5.53	716.5194
C34:0 PE	PE 34:0	ME541857	-	-	6.71	720.5522
C36:5 PE plasmalogen	PE P-36:4 or PE O-36:5	ME541862	-	-	5.42	724.5241
C36:3 PE plasmalogen	PE P-36:2 or PE O-36:3	ME541863	-	-	5.45	728.5557
C18:0 SM	SM 18:1;O2/18:0	ME541868	-	-	7.19	731.6031
C36:4 PE	PE 36:4	ME541858	-	-	5.52	740.5183
methylguanidine	Methylguanidine	ME541755	-	-	6.82	74.0712
C34:3 PC plasmalogen	PC P-34:2 or PC O-34:3	ME541854	-	-	6.59	742.5713
C36:2 PE	PE 36:2	ME541859	-	-	5.51	744.5506
C38:5 PE plasmalogen	PE P-38:4 or PE O-38:5	ME541864	-	-	5.38	752.5545
C34:3 PC	PC 34:3	ME541852	-	-	6.69	756.5480
C20:0 SM	SM 18:1;O2/20:0	ME541869	-	-	7.12	759.6337
glycine	Glycine	ME541730	-	-	7.96	76.0392
trimethylamine-N-oxide	Trimethylamine N-oxide	ME541813	-	-	8.12	76.0756
C36:5 PC plasmalogen	PC P-36:4 or PC O-36:5	ME541855	-	-	6.50	766.5700
C22:1 SM	SM 18:1;O2/22:1	ME541870	-	-	7.06	785.6496
C36:2 PC	PC 36:2	ME541853	-	-	6.59	786.5965
C22:0 SM	SM 18:1;O2/22:0	ME541871	-	-	7.06	787.6649
putrescine	Putrescine	ME541797	-	-	9.57	89.1072
alanine	Alanine	ME541664	-	-	7.83	90.0549
beta-alanine	beta-Alanine	ME541672	-	-	8.01	90.0549
sarcosine	Sarcosine	ME541802	-	-	8.12	90.0549

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
piperine	Piperine	ME542049	-	-	3.7	286.1439
sphingosine	Sphingosine	ME541928	-	-	4.22	300.2899
palmitoylethanolamide	Palmitoyl-EA	ME541929	-	-	5.05	300.29
linoleoylethanolamide	Linoleoyl-EA	ME541930	-	-	4.88	324.29
N-Oleoylethanolamine	Oleoyl-EA	ME541931	-	-	6.06	326.3058
C16:1 MAG	MG 16:1	ME541957	-	-	4.89	339.2508
cholesterol	Cholesterol	ME542046	-	-	7.45	369.352
C18:0 MAG	MG 18:0	ME541958	-	-	5.9	381.2979
7-Dehydrodesmosterol	7-Dehydro-desmosterol	ME542045	-	-	7.06	383.3312
beta-sitosterol	Sitosterol	ME542048	-	-	7.98	397.3834
campesterol	Campesterol	ME542047	-	-	7.45	401.3779
C22:1 MAG	MG 22:1	ME541959	-	-	7.04	435.3442
C16:0 LPE	LPE 16:0	ME541889	-	-	4.9	454.2933
C14:0 LPC	LPC 14:0	ME541881	-	-	4.37	468.3092
C18:1 LPE	LPE 18:1	ME541890	-	-	5.06	480.3098
C18:0 LPE	LPE 18:0	ME541891	-	-	5.48	482.3249
C16:1 LPC	LPC 16:1	ME541882	-	-	4.56	494.3246
C16:0 LPC	LPC 16:0	ME541883	-	-	4.88	496.3404
C20:0 LPE	LPE 20:0	ME541892	-	-	5.16	510.3562
C18:2 LPC	LPC 18:2	ME541884	-	-	4.71	520.3408
C18:1 LPC	LPC 18:1	ME541885	-	-	5.05	522.3563
C18:0 LPC	LPC 18:0	ME541886	-	-	5.46	524.3719
C22:0 LPE	LPE 22:0	ME541893	-	-	5.8	538.3874
C16:0 Ceramide (d18:1)	Cer 18:1;O2/16:0	ME541932	-	-	8.4	538.5203
C20:5 LPC	LPC 20:5	ME541887	-	-	4.71	542.3224
C24:0 LPC	LPC 24:0	ME541888	-	-	5.05	544.3381
C30:0 DAG	DG 30:0	ME541960	-	-	8.76	563.4661
C32:2 DAG	DG 32:2	ME541961	-	-	8.58	587.4662
C32:1 DAG	DG 32:1	ME541962	-	-	8.89	589.4815
C32:0 DAG	DG 32:0	ME541963	-	-	9.22	591.4964
C34:3 DAG	DG 34:3	ME541964	-	-	8.75	613.4814
C34:2 DAG	DG 34:2	ME541965	-	-	9.05	615.4966
C34:1 DAG	DG 34:1	ME541966	-	-	9.34	617.5123
C34:0 DAG	DG 34:0	ME541967	-	-	9.65	619.5278
C14:0 CE	CE 14:0	ME541944	-	-	11.71	619.5431
C24:0 PC	PC 24:0	ME541880	-	-	6.58	622.4449
C22:0 Ceramide (d18:1)	Cer 18:1;O2/22:0	ME541933	-	-	9.76	622.6139
C36:4 DAG	DG 36:4	ME541968	-	-	8.89	639.4967
C36:3 DAG	DG 36:3	ME541969	-	-	9.18	641.5122
C36:2 DAG	DG 36:2	ME541970	-	-	9.46	643.528
C36:1 DAG	DG 36:1	ME541971	-	-	9.76	645.5439
C16:1 CE	CE 16:1	ME541945	-	-	11.8	645.5586
C36:0 DAG	DG 36:0	ME541972	-	-	10.03	647.5593
C16:0 CE	CE 16:0	ME541946	-	-	12.12	647.5744
C24:1 Ceramide (d18:1)	Cer 18:1;O2/24:1	ME541935	-	-	9.8	648.6298
C24:0 Ceramide (d18:1)	Cer 18:1;O2/24:0	ME541934	-	-	10.16	650.6453
C38:5 DAG	DG 38:5	ME541973	-	-	9.15	665.5118
C38:4 DAG	DG 38:4	ME541974	-	-	9.33	667.5279
C18:3 CE	CE 18:3	ME541947	-	-	11.63	669.5586
C18:2 CE	CE 18:2	ME541948	-	-	11.9	671.5739
C18:1 CE	CE 18:1	ME541949	-	-	12.21	673.5891
C14:0 SM	SM 18:1;O2/14:0	ME541936	-	-	7.76	675.5536
C18:0 CE	CE 18:0	ME541950	-	-	12.55	675.6056
C32:1 PE	PE 32:1	ME541922	-	-	8.39	690.5082
C32:0 PE	PE 32:0	ME541923	-	-	7.97	692.5243
C20:5 CE	CE 20:5	ME541951	-	-	11.48	693.5586
C20:4 CE	CE 20:4	ME541952	-	-	11.76	695.5741
C20:3 CE	CE 20:3	ME541953	-	-	12.01	697.5898
C16:0 SM	SM 18:1;O2/16:0	ME541937	-	-	8.26	703.5756
C30:0 PC	PC 30:0	ME541894	-	-	8.22	706.5387
C34:2 PE	PE 34:2	ME541924	-	-	8.54	716.5237
C22:6 CE	CE 22:6	ME541954	-	-	11.61	719.5742
C34:0 PE	PE 34:0	ME541925	-	-	8.45	720.555
C22:5 CE	CE 22:5	ME541955	-	-	11.84	721.5896
C22:4 CE	CE 22:4	ME541956	-	-	12.11	723.6053
C18:0 SM	SM 18:1;O2/18:0	ME541938	-	-	8.75	731.6073
C32:1 PC	PC 32:1	ME541895	-	-	8.38	732.5546
C32:0 PC	PC 32:0	ME541896	-	-	8.69	734.5704
C36:4 PE	PE 36:4	ME541926	-	-	8.84	740.5207
C34:3 PC plasmalogen	PC P-34:2 or PC O-34:3	ME541912	-	-	9	742.5729
C34:2 PC plasmalogen	PC P-34:2 or PC O-34:3	ME541913	-	-	9.12	744.5911
C42:0 TAG	TG 42:0	ME541975	-	-	11	745.6325
C34:1 PC plasmalogen-A	PC P-34:1 or PC O-34:2	ME541914	-	-	9.13	746.6061
C34:1 PC plasmalogen-B	PC P-34:1 or PC O-34:2	ME541915	-	-	9.42	746.6068
C36:0 PE	PE 36:0	ME541927	-	-	8.88	748.5857
C43:1 TAG	TG 43:1	ME541976	-	-	10.93	752.6776
C34:4 PC	PC 34:4	ME541897	-	-	8.37	754.5363
C34:3 PC	PC 34:3	ME541898	-	-	8.69	756.552
C34:2 PC	PC 34:2	ME541899	-	-	8.52	758.5702
C20:0 SM	SM 18:1;O2/20:0	ME541939	-	-	9.21	759.6382
C34:1 PC	PC 34:1	ME541900	-	-	8.82	760.5858
C34:0 PC	PC 34:0	ME541901	-	-	9.14	762.601
C36:4 PC plasmalogen	PC P-36:4 or PC O-36:5	ME541916	-	-	9.13	768.5878
C44:2 TAG	TG 44:2	ME541977	-	-	10.9	769.6327
C36:3 PC plasmalogen	PC P-36:3 or PC O-36:4	ME541917	-	-	9.42	770.6041
C44:1 TAG	TG 44:1	ME541978	-	-	11.11	771.648
C36:2 PC plasmalogen	PC P-36:2 or PC O-36:3	ME541918	-	-	9.27	772.6217
C44:0 TAG	TG 44:0	ME541979	-	-	11.35	773.6635
C36:1 PC plasmalogen	PC P-36:1 or PC O-36:2	ME541919	-	-	9.56	774.6377
C45:2 TAG	TG 45:2	ME541980	-	-	11.09	778.693
C36:4 PC-B	PC 36:4	ME541903	-	-	8.55	782.5692
C36:4 PC-A	PC 36:4	ME541902	-	-	8.35	782.5731
C36:3 PC	PC 36:3	ME541904	-	-	8.69	784.5864
C22:1 SM	SM 18:1;O2/22:1	ME541940	-	-	9.35	785.6545
C45:1 TAG	TG 45:1	ME541981	-	-	11.3	785.6637
C36:2 PC	PC 36:2	ME541905	-	-	8.98	786.6015
C22:0 SM	SM 18:1;O2/22:0	ME541941	-	-	9.64	787.6697
C45:0 TAG	TG 45:0	ME541982	-	-	11.51	787.6791
C36:1 PC	PC 36:1	ME541906	-	-	9.26	788.6176
C36:0 PC	PC 36:0	ME541907	-	-	9.55	790.6316
C46:3 TAG	TG 46:3	ME541983	-	-	11.04	790.6938
C38:6 PC plasmalogen	PC P-38:5 or PC O-38:6	ME541920	-	-	8.76	792.5957
C38:4 PC plasmalogen	PC P-38:4 or PC O-38:5	ME541921	-	-	9.31	796.6221
C46:2 TAG	TG 46:2	ME541984	-	-	11.26	797.6641
C46:1 TAG	TG 46:1	ME541985	-	-	11.45	799.6793
C46:0 TAG	TG 46:0	ME541986	-	-	11.67	801.6949
C38:6 PC	PC 38:6	ME541908	-	-	8.48	806.5702
C47:2 TAG	TG 47:2	ME541987	-	-	11.43	811.6796
C38:3 PC	PC 38:3	ME541909	-	-	9.14	812.617
C24:1 SM	SM 18:1;O2/24:1	ME541942	-	-	9.68	813.6854
C47:1 TAG	TG 47:1	ME541988	-	-	11.63	813.695
C38:2 PC	PC 38:2	ME541910	-	-	9.35	814.6329
C24:0 SM	SM 18:1;O2/24:0	ME541943	-	-	10.06	815.701
C47:0 TAG	TG 47:0	ME541989	-	-	11.84	815.7106
coenzyme Q9	Coenzyme Q9	ME542050	-	-	10.51	817.6115
C48:4 TAG	TG 48:4	ME541990	-	-	11.05	821.665
C48:3 TAG	TG 48:3	ME541991	-	-	11.29	823.6799
C48:2 TAG	TG 48:2	ME541992	-	-	11.56	825.6953
C48:1 TAG	TG 48:1	ME541993	-	-	11.77	827.7108
C40:9 PC	PC 40:9	ME541911	-	-	8.48	828.5524
C48:0 TAG	TG 48:0	ME541994	-	-	12.01	829.7263
C49:3 TAG	TG 49:3	ME541995	-	-	11.56	837.6955
C49:2 TAG	TG 49:2	ME541996	-	-	11.76	839.711
C49:1 TAG	TG 49:1	ME541997	-	-	11.96	841.7265
C49:0 TAG	TG 49:0	ME541998	-	-	12.17	843.742
C50:6 TAG	TG 50:6	ME541999	-	-	10.89	845.6647
C50:5 TAG	TG 50:5	ME542000	-	-	11.14	847.6809
C50:4 TAG	TG 50:4	ME542001	-	-	11.39	849.6956
C50:3 TAG	TG 50:3	ME542002	-	-	11.62	851.7107
C50:2 TAG	TG 50:2	ME542003	-	-	11.85	853.7263
C50:1 TAG	TG 50:1	ME542004	-	-	12.1	855.7419
C50:0 TAG	TG 50:0	ME542005	-	-	12.37	857.7576
C51:3 TAG	TG 51:3	ME542006	-	-	11.78	865.7269
C51:2 TAG	TG 51:2	ME542007	-	-	12.03	867.7422
C51:1 TAG	TG 51:1	ME542008	-	-	12.29	869.7579
C52:7 TAG	TG 52:7	ME542010	-	-	10.99	871.6807
C51:0 TAG	TG 51:0	ME542009	-	-	12.55	871.7738
C52:6 TAG	TG 52:6	ME542011	-	-	11.23	873.6954
C52:5 TAG	TG 52:5	ME542012	-	-	11.46	875.711
C52:4 TAG	TG 52:4	ME542013	-	-	11.7	877.7264
C52:3 TAG	TG 52:3	ME542014	-	-	11.95	879.7419
C52:2 TAG	TG 52:2	ME542015	-	-	12.19	881.7577
C52:1 TAG	TG 52:1	ME542016	-	-	12.46	883.7733
coenzyme Q10	Coenzyme Q10	ME542051	-	-	11.16	885.674
C52:0 TAG	TG 52:0	ME542017	-	-	12.73	885.789
C53:3 TAG	TG 53:3	ME542018	-	-	12.13	893.7587
C54:9 TAG	TG 54:9	ME542020	-	-	10.84	895.68
C53:2 TAG	TG 53:2	ME542019	-	-	12.38	895.7739
C54:8 TAG	TG 54:8	ME542021	-	-	11.08	897.6952
C54:7 TAG	TG 54:7	ME542022	-	-	11.32	899.711
C54:6 TAG	TG 54:6	ME542023	-	-	11.56	901.7264
C54:5 TAG	TG 54:5	ME542024	-	-	11.8	903.7419
C54:4 TAG	TG 54:4	ME542025	-	-	12.05	905.7576
C54:3 TAG	TG 54:3	ME542026	-	-	12.31	907.7736
C54:2 TAG	TG 54:2	ME542027	-	-	12.56	909.7885
C54:1 TAG	TG 54:1	ME542028	-	-	12.83	911.8055
C55:3 TAG	TG 55:3	ME542029	-	-	12.55	921.7881
C56:9 TAG	TG 56:9	ME542030	-	-	11.34	923.7113
C56:8 TAG	TG 56:8	ME542031	-	-	11.59	925.7265
C56:7 TAG	TG 56:7	ME542032	-	-	11.81	927.7427
C56:6 TAG	TG 56:6	ME542033	-	-	11.89	929.7578
C56:5 TAG	TG 56:5	ME542034	-	-	12.13	931.7732
C56:4 TAG	TG 56:4	ME542035	-	-	12.38	933.7893
C56:3 TAG	TG 56:3	ME542036	-	-	12.68	935.8038
C56:2 TAG	TG 56:2	ME542037	-	-	12.94	937.8196
C56:1 TAG	TG 56:1	ME542038	-	-	13.26	939.8371
C58:9 TAG	TG 58:9	ME542040	-	-	11.68	946.7867
C58:10 TAG	TG 58:10	ME542039	-	-	11.43	949.7292
C58:6 TAG	TG 58:6	ME542043	-	-	12.26	952.8331
C58:8 TAG	TG 58:8	ME542041	-	-	11.93	953.7575
C58:7 TAG	TG 58:7	ME542042	-	-	12.04	955.7777
C60:12 TAG	TG 60:12	ME542044	-	-	11.43	973.7228

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
isovalerate/valerate/methylbutyrate	-	ME542118	-	-	3.35	101.0608
2-aminobutyrate	2-Aminobutyric acid	ME542057	-	-	2.86	102.0560
malonate	Malonic acid	ME542122	-	-	6.72	103.0037
alpha-hydroxybutyrate/beta-hydroxybutyrate/hydroxy...	-	ME542076	-	-	3.40	103.0401
glycerate	Glyceric acid	ME542102	-	-	3.90	105.0193
hydroquinone	Hydroquinone	ME542111	-	-	1.43	109.0295
uracil	Uracil	ME542153	-	-	1.44	111.0201
fumarate/maleate	Fumaric acid	ME542099	-	-	6.56	115.0038
alpha-ketoisovalerate	Ketoisovaleric acid	ME542079	-	-	3.10	115.0401
methylmalonate	Methylmalonic acid	ME542124	-	-	6.67	117.0193
succinate	Succinic acid	ME542142	-	-	6.50	117.0194
2-hydroxy-3-methylbutyrate	2-Hydroxy-3-methylbutyric acid	ME542059	-	-	3.27	117.0557
benzoate	Benzoic acid	ME542083	-	-	3.68	121.0295
4-hydroxybenzaldehyde	4-Hydroxybenzaldehyde	ME542067	-	-	2.35	121.0296
threitol	Threitol	ME542149	-	-	1.45	121.0507
nicotinate	Nicotinic acid	ME542128	-	-	3.70	122.0248
thymine	Thymine	ME542150	-	-	1.27	125.0358
mesaconate	Mesaconic acid	ME542123	-	-	6.40	129.0195
alpha-keto-beta-methylvalerate/alpha-ketoisocaproa...	-	ME542077	-	-	3.07	129.0559
thymine-d4	Thymine	ME542052	-	-	1.25	129.0609
2-hydroxy-3-methylpentanoate	2-Hydroxy-3-methyl-pentanoic acid	ME542060	-	-	3.24	131.0714
aspartate	Aspartic acid	ME542082	-	-	4.88	132.0304
malate	Malic acid	ME542121	-	-	6.55	133.0144
adenine	Adenine	ME542072	-	-	2.17	134.0474
erythronate/threonate	-	ME542096	-	-	3.90	135.0299
hypoxanthine	Hypoxanthine	ME542112	-	-	3.05	135.0314
phenylacetate	Phenyl acetate	ME542133	-	-	3.51	135.0452
4-nitrophenol	4-Nitrophenol	ME542069	-	-	3.65	138.0197
2-aminoheptanoate	2-Aminoheptanoic acid	ME542058	-	-	2.32	144.1030
alpha-ketoglutarate	2-Oxoglutaric acid	ME542078	-	-	7.00	145.0144
adipate/methylglutarate	-	ME542073	-	-	6.37	145.0508
glutamate	Glutamic acid	ME542101	-	-	4.84	146.0460
2-hydroxyglutarate	2-Hydroxyglutaric acid	ME542061	-	-	6.42	147.0299
tartarate	Tartaric acid	ME542145	-	-	6.59	149.0092
guanine	Guanine	ME542105	-	-	2.66	150.0421
xanthine	Xanthine	ME542156	-	-	4.62	151.0261
adonitol/arabitol	-	ME542074	-	-	1.64	151.0612
gentisate	Gentisic acid	ME542100	-	-	4.19	153.0193
orotate	Orotic acid	ME542129	-	-	4.13	155.0100
dihydroorotate	4,5-Dihydroorotic acid	ME542094	-	-	3.76	157.0255
3-methyladipate/pimelate	-	ME542065	-	-	6.28	159.0663
2-aminoadipate	alpha-Aminoadipic acid	ME542056	-	-	4.95	160.0615
anhydroDglucose	-	ME542081	-	-	6.30	161.0455
3-3-hydroxyphenylpropionate	3-(3-Hydroxyphenyl)propanoic acid	ME542063	-	-	3.99	165.0557
phenyllactate	Phenyllactic acid	ME542134	-	-	3.38	165.0559
quinolinate	Quinolinic acid	ME542138	-	-	6.99	166.0146
urate	Uric acid	ME542154	-	-	4.85	167.0212
3-4-dihydroxyphenylglycol	-	ME542064	-	-	1.91	169.0506
alpha-glycerophosphate	sn-Glycero-3-phosphate	ME542075	-	-	6.86	171.0064
suberate	Suberic acid	ME542141	-	-	6.34	173.0821
2-isopropylmalate	2-Isopropylmalic acid	ME542062	-	-	6.59	175.0612
hippurate	Hippuric acid	ME542108	-	-	3.56	178.0510
4-hydroxyphenylpyruvate	4-Hydroxyphenylpyruvic acid	ME542068	-	-	4.41	179.0350
inositol	Inositol	ME542117	-	-	2.50	179.0561
fructose/glucose/galactose	Hexose	ME542098	-	-	2.00	179.0563
1-methylurate	1-Methyluric acid	ME542055	-	-	4.41	181.0367
homovanillate	Homovanillic acid	ME542110	-	-	4.01	181.0506
sorbitol	Sorbitol	ME542140	-	-	1.87	181.0718
4-pyridoxate	4-Pyridoxic acid	ME542070	-	-	3.38	182.0461
3-phosphoglycerate	3-Phosphoglyceric acid	ME542066	-	-	8.71	184.9857
N-acetylglutamate	N-Acetylglutamic acid	ME542126	-	-	6.23	188.0567
indole-3-propionate	3-Indolepropionic acid	ME542113	-	-	4.06	188.0717
citrate/isocitrate	Citric acid/Isocitric acid	ME542088	-	-	8.25	191.0197
quinate	Quinic acid	ME542137	-	-	3.93	191.0564
erythrose-4-phosphate	Erythrose 4-phosphate	ME542097	-	-	6.93	199.0013
sebacate	Sebacic acid	ME542139	-	-	6.24	201.1135
xanthurenate	Xanthurenic acid	ME542157	-	-	7.62	204.0302
indolelactate	Indolelactic acid	ME542114	-	-	4.02	204.0666
indoxylsulfate	Indoxyl sulfate	ME542115	-	-	3.55	212.0023
pantothenate	Pantothenic acid	ME542131	-	-	3.62	218.1035
cystathionine	Cystathionine	ME542091	-	-	4.98	221.0602
pentose monophosphate	Ribose 5-phosphate	ME542132	-	-	6.92	229.0119
tetrahydro-1-methyl-beta-carboline-3-carboxylate	-	ME542148	-	-	3.48	229.0983
CMPF	3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid	ME542090	-	-	6.59	239.0925
cytidine	Cytidine	ME542092	-	-	1.92	242.0782
pseudouridine	Pseudouridine	ME542136	-	-	2.15	243.0622
uridine	Uridine	ME542155	-	-	1.68	243.0623
hexose monophosphate	Fructose 6-phosphate	ME542107	-	-	6.98	259.0224
homocystine	DL-Homocystine	ME542109	-	-	4.97	267.0479
inosine	Inosine	ME542116	-	-	3.17	267.0735
N-acetylcarnosine	N-Acetylcarnosine	ME542125	-	-	3.75	267.1099
inosine-15N4	Inosine	ME542053	-	-	3.16	271.0617
guanosine	Guanosine	ME542106	-	-	2.85	282.0844
dCMP	dCMP	ME542093	-	-	6.97	306.0497
dTMP	dTMP	ME542095	-	-	6.92	321.0493
CMP	CMP	ME542089	-	-	7.08	322.0446
UMP	UMP	ME542152	-	-	7.19	323.0286
acetaminophen glucuronide	p-Acetamidophenylglucuronide	ME542071	-	-	4.19	326.0881
sucrose/lactose/trehalose	-	ME542144	-	-	2.40	341.1080
AMP	AMP	ME542080	-	-	7.23	346.0558
lithocholate	Lithocholic acid	ME542120	-	-	3.57	375.2911
succinyladenosine	Succinyladenosine	ME542143	-	-	6.81	382.1004
chenodeoxycholate/deoxycholate	Deoxycholic acid	ME542086	-	-	3.66	391.2860
cholate	Cholic acid	ME542087	-	-	3.78	407.2803
glycodeoxycholate/glycochenodeoxycholate	Glycodeoxycholic acid	ME542104	-	-	3.53	448.3068
glycocholate	Glycocholic acid	ME542103	-	-	3.61	464.3018
glycocholate-d4	Glycocholic acid	ME542054	-	-	3.61	468.3269
taurodeoxycholate/taurochenodeoxycholate	-	ME542147	-	-	3.19	498.2895
taurocholate	Taurocholic acid	ME542146	-	-	3.32	514.2844
UDP-galactose/UDP-glucose	UDP-glucose	ME542151	-	-	6.71	565.0477
bilirubin	Bilirubin	ME542084	-	-	14.17	583.2562
NAD	NAD	ME542127	-	-	4.74	662.1024
propionate	Propionic acid	ME542135	-	-	3.58	73.0295
butyrate	Butyric acid	ME542085	-	-	3.46	87.0452
oxalate	Oxalic acid	ME542130	-	-	6.98	88.9880
lactate	Lactic acid	ME542119	-	-	3.56	89.0244

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
levulinate	Levulinic acid	ME542186	-	-	1.00	115.0390
4-hydroxystyrene	4-Hydroxystyrene	ME542247	-	-	2.78	119.0491
heptanoate	Heptylic acid	ME542187	-	-	7.86	129.0910
N-acetylalanine	N-Acetylalanine	ME542254	-	-	0.97	130.0500
3-hydroxyhexanoate	3S-Hydroxyhexanoic acid	ME542191	-	-	1.74	131.0704
salicylate	Salicylic acid	ME542242	-	-	3.56	137.0234
oxypurinol	Oxypurinol	ME542255	-	-	0.80	151.0252
p-hydroxyphenylacetate	4-Hydroxyphenylacetic acid	ME542259	-	-	1.53	151.0391
2-hydroxyoctanoate	2-Hydroxyoctanoic acid	ME542188	-	-	6.89	159.1017
acesulfame	Acesulfame	ME542264	-	-	1.03	161.9858
phenyllactate	Phenyllactic acid	ME542258	-	-	2.17	165.0549
caprate	Capric acid	ME542189	-	-	10.73	171.1383
formylmethionine	N-Formylmethionine	ME542252	-	-	1.18	176.0379
fructose/glucose/galactose	Hexose	ME542253	-	-	0.78	179.0554
saccharin	Saccharin	ME542243	-	-	1.11	181.9911
3-hydroxydecanoate	3-Hydroxydecanoic acid	ME542190	-	-	8.46	187.1333
dimethylurate	1,7-Dimethyluric acid	ME542251	-	-	1.00	195.0518
5-dodecenoate	5-Dodecenoic acid	ME542192	-	-	11.41	197.1541
dodecanoate	Lauric acid	ME542193	-	-	12.31	199.1698
sebacate	Sebacic acid	ME542244	-	-	6.37	201.1128
cinnamoylglycine	Cinnamoylglycine	ME542250	-	-	3.21	204.0662
ibuprofen	Ibuprofen	ME542245	-	-	10.15	205.1230
undecanedionate	Undecanedioic acid	ME542194	-	-	7.25	215.1286
acetyltyrosine	-	ME542248	-	-	1.14	222.0771
porphobilinogen	Porphobilinogen	ME542260	-	-	0.98	225.0879
myristoleate	Myristoleic acid	ME542195	-	-	12.66	225.1858
myristate	Myristic acid	ME542196	-	-	13.71	227.2015
dodecanedioate	Dodecanedioic acid	ME542197	-	-	7.98	229.1444
carboxyibuprofen	Carboxyibuprofen	ME542246	-	-	6.65	235.0976
pentadecanoate	Pentadecylic acid	ME542198	-	-	14.33	241.2173
hydroxymyristate	Hydroxytetradecanoic acid	ME542199	-	-	12.21	243.1966
palmitoleate	Palmitoleic acid	ME542200	-	-	13.93	253.2175
palmitate	Palmitic acid	ME542201	-	-	14.89	255.2332
ribothymidine	Ribothymidine	ME542262	-	-	0.81	257.0779
tetradecanedioate	Tetradecanedioic acid	ME542202	-	-	9.26	257.1760
phenylacetylglutamine	alpha-N-Phenylacetylglutamine	ME542257	-	-	1.54	263.1042
10-heptadecenoate	-	ME542203	-	-	14.49	267.2333
heptadecanoate	Margaric acid	ME542204	-	-	15.40	269.2490
2-hydroxyhexadecanoate	2-Hydroxypalmitic acid	ME542205	-	-	13.64	271.2284
alpha-linolenate	alpha-Linolenic acid	ME542206	-	-	13.46	277.2177
linoleate	Linoleic acid	ME542207	-	-	14.21	279.2335
oleate	Oleic acid	ME542208	-	-	15.01	281.2491
stearate	Stearic acid	ME542209	-	-	15.86	283.2647
hexadecanedioate	Hexadecanedioic acid	ME542210	-	-	10.51	285.2075
13-HODE	13-HODE	ME542165	-	-	11.34	295.2283
10-nonadecenoate	-	ME542211	-	-	15.50	295.2646
17-Methylstearate	Xi-17-Methyloctadecanoic acid	ME542213	-	-	16.16	297.2803
nonadecanoate	Nonadecylic acid	ME542212	-	-	16.30	297.2803
eicosapentaenoate	Eicosapentaenoic acid	ME542214	-	-	13.34	301.2178
arachidonate	Arachidonic acid	ME542215	-	-	14.04	303.2335
eicosatrienoate	Dihomo-gamma-linolenic acid	ME542216	-	-	14.51	305.2491
eicosadienoate	11Z,14Z-Eicosadienoic acid	ME542217	-	-	15.17	307.2648
eicosenoate	Eicosenoic acid	ME542218	-	-	15.90	309.2805
arachidate	Arachidic acid	ME542219	-	-	16.76	311.2961
phytanate	Phytanic acid	ME542220	-	-	16.12	311.2962
12.13-diHOME	12,13-DiHOME	ME542163	-	-	9.95	313.2391
9.10-diHOME	9,10-DiHOME	ME542164	-	-	10.14	313.2391
11-HEPE	11-HEPE	ME542178	-	-	10.98	317.2127
12-HEPE/8-HEPE	-	ME542179	-	-	11.13	317.2127
15-HEPE	15-HEPE	ME542180	-	-	10.92	317.2127
5-HEPE	5-HEPE	ME542176	-	-	11.34	317.2127
9-HEPE	9-HEPE	ME542177	-	-	11.21	317.2127
12-HETE/8-HETE	-	ME542174	-	-	11.82	319.2283
5-HETE	5-HETE	ME542171	-	-	12.07	319.2283
11-HETE	11-HETE	ME542173	-	-	11.68	319.2284
15-HETE	15-HETE	ME542175	-	-	11.51	319.2284
9-HETE	9-HETE	ME542172	-	-	11.94	319.2284
docosahexaenoate	Docosahexaenoic acid	ME542221	-	-	13.81	327.2337
carnosol	Carnosol	ME542249	-	-	10.55	329.1764
docosapentaenoate	Docosapentaenoic acid	ME542222	-	-	14.18	329.2492
adrenate	Adrenic acid	ME542223	-	-	14.81	331.2649
8.15 diHETE	8,15-DiHETE	ME542182	-	-	9.52	335.2234
17.18 diHETE	17,18-DiHETE	ME542184	-	-	9.69	335.2235
14.15 diHETE	14,15-DiHETE	ME542183	-	-	9.80	335.2236
5.6 diHETE	5,6-DiHETE	ME542181	-	-	11.10	335.2236
5.6 DHET	5,6-DiHETrE	ME542185	-	-	11.02	337.2392
13-docosenoate	-	ME542224	-	-	16.74	337.3118
eicosanedioate	Eicosanedioic acid	ME542225	-	-	12.96	341.2701
10-HDoHE/14-HDoHE	-	ME542167	-	-	11.69	343.2285
11-HDoHE	11-HDoHE	ME542168	-	-	11.79	343.2285
16-HDoHE/17-HDoHE	-	ME542169	-	-	11.54	343.2285
20-HDoHE	20-HDoHE	ME542170	-	-	11.36	343.2285
7-HDoHE/8-HDoHE	-	ME542166	-	-	11.93	343.2285
palmitoylethanolamide	Palmitoyl-EA	ME542256	-	-	13.42	344.2812
15R-15-methyl PGA2	-	ME542158	-	-	9.54	347.2234
15S-15-methyl PGD2	-	ME542159	-	-	8.57	365.2339
15S-15-methyl PGE2	-	ME542161	-	-	8.32	365.2339
nervonic acid	Nervonic acid	ME542263	-	-	17.68	365.3430
15R-15-methyl PGF2a	-	ME542162	-	-	8.14	367.2495
15S-15-methyl PGE1	-	ME542160	-	-	8.43	367.2497
lithocholate	Lithocholic acid	ME542228	-	-	12.10	375.2908
chenodeoxycholate	Chenodeoxycholic acid	ME542229	-	-	10.29	391.2859
deoxycholate	Deoxycholic acid	ME542230	-	-	10.50	391.2861
hyodeoxycholate/ursodeoxycholate	-	ME542231	-	-	9.07	391.2861
pregnenolone sulfate	Pregnenolone sulfate	ME542261	-	-	8.60	395.1903
ketodeoxycholate	-	ME542232	-	-	8.25	405.2653
cholate	Cholic acid	ME542233	-	-	8.96	407.2809
glycodeoxycholate	Glycodeoxycholic acid	ME542235	-	-	9.27	448.3075
glycochenodeoxycholate	Glycochenodeoxycholic acid	ME542234	-	-	9.05	448.3076
oleanate	-	ME542226	-	-	13.54	455.3539
glycocholate	Glycocholic acid	ME542236	-	-	8.01	464.3024
masilinate	-	ME542227	-	-	11.52	471.3487
taurolithocholate	Taurolithocholic acid	ME542237	-	-	9.52	482.2955
taurodeoxycholate	Taurodeoxycholic acid	ME542239	-	-	8.41	498.2897
taurochenodeoxycholate	Taurochenodeoxycholic acid	ME542238	-	-	8.20	498.2905
taurohyodeoxycholate/tauroursodeoxycholate	-	ME542240	-	-	7.27	498.2905
taurocholate	Taurocholic acid	ME542241	-	-	7.36	514.2850