Metabolomics Workbench : NIH Data Repository : Analyze Studies

Data for ST004350

(Analysis AN007261): Average values per metabolite and experimental factor (Units:Peak Area)

Metabolite structure	F1	F2	F3
10E,12Z-Octadecadienoic acid	24052391.94	26819807.97	24954054.65
10-Formyldihydrofolate	102375745.24	91666425.17	114577366.54
(10)-Gingerol	73453719.84	87777854.45	53159086.45
1,1^-[1,12-Dodecanediylbis(oxy)]bisbenzene	20423040.16	21744076.34	19903042.06
1,1,6-Trimethyltetralin	2683662.07	2006118.90	1768678.70
11-Oxahexadecanolide	9891086.27	10972337.69	10234127.26
1-[(1Z)-hexadecenyl]-2-[(9Z)-octadecenoyl]-sn-glycero-3-phos...	69495676.87	77891153.09	64825348.96
1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)...	428005.34	1165454.60	819756.62
1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)...	103278429.99	80178487.77	51014802.10
1-(1Z-octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoc...	37981063.00	59667791.80	46957134.20
1-(1Z-octadecenyl)-sn-glycero-3-phosphocholine	3474228.33	3787489.83	2901138.73
1,2,3,4-Tetrahydro-b-carboline-1,3-dicarboxylic acid	94468372.33	83871860.78	216634180.02
1,2-di-[(11Z)-eicosenoyl]-sn-glycero-3-phosphocholine	6146132.27	6713575.73	6235594.43
1,2-Didecanoyl-sn-glycero-3-phosphocholine	14731986.52	23698899.25	29073863.21
1,2-Dierucoyl-sn-glycero-3-phosphocholine	2481628.56	7413483.75	3302006.00
1,2-Dihydronaphthalene-1,2-diol	1402959.90	2311383.18	5392037.29
1,2-Dilinoleoyl-SN-glycero-3-phosphocholine	4221451.62	10955676.41	12764614.16
1,2-Dimethylimidazole	1287579.35	1468873.99	1302637.16
1,2-Dimyristoleoyl-sn-glycero-3-phosphocholine	6113670.93	9144085.45	5909423.37
1,2-Dimyristoyl-sn-glycero-3-phosphocholine	51277409.84	72432562.73	61526345.47
1,2-Dimyristoyl-sn-glycero-3-phospho-l-serine	15284772.96	21928282.01	17826814.24
1,2-Dipentadecanoyl-sn-glycero-3-phosphocholine	4594021.64	12362744.99	5833497.45
1,2-Docosahexanoyl-sn-glycero-3-phosphocholine	2915156.60	4284363.98	4459515.94
1,2-Ethanedithiol	63378953.58	82925514.98	72453604.30
1,2-Ethylenediphosphonic acid	25624779.70	24200871.27	13277907.90
12-HOME	4840422.20	3887564.88	4940342.87
12-Ketolithocholic acid	13508171.49	14039125.97	13541678.18
12-Methyltridecanoic acid	9632631.41	9564419.54	5217307.11
12-Tridecene-4,6,8,10-tetraynal	10434222.88	4175531.30	10026700.67
13,14-Dihydro PGE1	26054797.03	19286312.68	8723915.41
13,14-Dihydro PGF-1a	3095324.40	15895877.94	15498374.52
1,3,5-Trihydroxybenzene	22838816.38	20331441.16	15083116.57
1,3-Benzenediol	64465650.78	60089296.80	45379577.50
1,3-Dicyclohexylurea	99295840.45	101285375.05	133666664.82
1,3-Diisopropylbenzene	14123743.42	11191658.09	11984911.21
13-Docosenamide	2390384.48	2189338.00	447668.16
14,15-Epoxyeicosa-5z-enoic acid	102620039.33	106381066.92	75823016.41
1,4,7-Triazacyclononane	115508557.20	83789512.70	142708037.53
1,4-Di-tert-butylbenzene	8456224.23	8573434.78	7709563.44
1-(4-Methoxyphenyl)-4-methylpentan-3-ol	403647372.42	319471445.67	348256913.33
1,4-Naphthoquinone	29135277035.33	30153937752.83	26926149585.33
1,5-Diazabicyclo[4.3.0]non-5-ene	6148262.02	7037084.19	6195000.17
15-keto-PGF1alpha	2927941.40	2543366.77	4416664.34
17-(4-Hydroxyphenyl)heptadecanoic acid	20655604.64	18578062.76	16527494.49
17beta-Estradiol 3-(beta-D-glucuronide)	8726750.57	9169501.69	7526672.81
1-(9Z,12Z,15Z-octadecatrienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetra...	54976849.07	60806504.46	46665141.28
1-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1^-sn-glycerol)	7840832.59	4512898.63	5200478.67
1-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine	27050239.17	17827068.27	65182479.87
1-(9Z-tetradecenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoy...	87978147.08	108348647.32	80724920.12
1-Acetylisatin	142810027.02	126505572.59	100549323.64
1-Aminocyclopropane-1-carboxylic acid	131655975.28	129741993.44	126109430.67
1-(Ammoniomethyl)cycloheaxaneacetate	5347626.07	18495287.07	21462045.80
1-Butanol	6184159.88	11503001.20	7239297.32
1-Chloro-2-methylpropene	141846144.10	153244406.85	132286705.65
1-Cyano-2-hydroxy-3-butene	3572848.46	4317177.68	4631735.93
1-(D-3-Mercapto-2-methyl-1-oxopropyl)-L-proline	59324566.53	12059857.77	43140778.10
1-Deoxynojirimycin	9870525.43	20172120.93	25609778.35
1-Deoxyvaleric-acid	35420825.77	36600970.84	44234892.03
1-docosanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phosphate	18109500.66	24430287.40	17649022.92
(1E,6R,11R,13R,14S,15S,19E,21E,23S,27R)-27-hydroxy-23-[(1S)-...	4112720.63	2659727.05	7945790.82
1-Heptadecanoyl-sn-glycero-3-phosphoethanolamine	2926006.93	4129744.69	6994893.26
1-Hexacosene	26617174828.67	30322249039.33	27806613513.67
1-hexadecanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phosphate	9554163.04	18542058.08	15439493.48
1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-...	6947756.41	14321273.08	4781427.08
1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosp...	19723694.77	73126524.58	15736397.75
1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosp...	13732413.53	21915204.83	25371837.27
1-hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanola...	6301956.92	8528699.69	8968099.56
1H-Imidazol-1-ylacetic acid	8052465.04	4921225.99	7284925.97
1-hydroperoxy-8-carboxyoctyl-3,4-epoxynon-(2E)-enyl-ether	3383357.79	2950094.67	2288596.04
1-Methylnicotinamide	154213510.53	134774812.09	139676990.37
1-Methylpyrrolinium	160073134.40	153186246.34	312937933.80
1-Myristoyl-2-palmitoyl-sn-glycero-3-phosphocholine	66373075.82	162085575.83	83944250.32
1-Myristoyl-2-stearoyl-sn-glycero-3-phosphocholine	41107624.56	66860618.93	39126228.38
1-Naphthalenyl[4-(pentyloxy)-1-naphthalenyl]methanone	1370587.64	1585323.17	3952779.32
1-Naphthol	17900575.40	7764205.98	17345512.66
1-Naphthylamine	116359339.27	90109350.92	233713940.68
1-nitrosonaphthalene	20204923.47	22184556.03	20201187.75
1-octadecanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phosphate	22483294.99	34973767.40	24246029.56
1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserin...	1757880.57	3187070.84	2507078.56
1-O-Hexadecyl-2-arachidonoyl-sn-glycero-3-phosphocholine	689908031.83	853385003.93	758150138.35
1-O-Hexadecyl-2-O-ethyl-SN-glycero-3-phosphorylcholine	645002.84	1039807.00	1313532.55
1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine	79418728.42	6522527.66	41990559.60
1-O-Hexadecyl-sn-glycero-3-phosphocholine	38924282.64	29014077.47	44369341.97
1-Oleoyl-2-acetyl-sn-glycerol	3516215.76	4984841.02	5041067.39
1-Oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine	18677778.05	36195859.23	23151812.89
1-O-Octadecyl-2-O-methyl-sn-glycero-3-phosphocholine	4799491.71	7213415.47	38727591.98
1-O-Palmitoyl-2-O-acetyl-sn-glycero-3-phosphorylcholine	462096214.60	295725745.60	1133162928.47
1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine	27179926.59	35703330.73	33807511.44
1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine	199478529.33	171173737.60	217522629.52
1-pentadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phos...	32155558.15	17344830.76	18013833.41
1-Pentadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine	59921436.27	37867339.61	54190287.77
1-Phenyl-1,3-eicosanedione	23656198.46	24024464.62	32139100.41
1-Phenyl-2-hexanone	4453499.19	5304004.98	4799202.76
1-Phenylethanol	22780477.39	30206688.05	20047286.07
1-Phenylpiperazine	32057094.84	42929977.95	53869243.89
(1R,2R,9R)-1-piperidin-2-yl-3,15-diazatetracyclo[7.7.1.02,7....	47344177.54	41963689.70	66073473.20
(1R,4R,5R)-2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]cyclohex-...	47813916.65	39201163.40	31993771.25
1-S-hexadecyl-2-O-[hexadecyl(hydroxy)phosphoryl]-1-thio-sn-g...	23007818.87	56910582.56	28392622.01
1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphocholine	23457103.06	40381559.79	19459199.70
1-Stearoyl-2-arachidonyl-sn-glycero-3-phosphocholine	14423201.36	26455164.73	26702653.60
1-Stearoyl-2-docosahexanoyl-sn-glycero-3-phosphocholine	10111048.56	26555722.31	13859869.41
1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine	9339387.65	44733225.70	16995231.13
1-Stearoyl-2-myristoyl-sn-glycero-3-phosphocholine	48918416.63	42197564.28	51943665.47
1-Tetracosanoyl-sn-glycero-3-phosphocholine	433749011.88	667322201.10	523023663.06
20-HETE	3308744.27	2847390.95	3407078.55
20-Hydroxyecdysone	10813610.28	7446744.00	9899740.51
20-Hydroxy-leukotriene E4	3487166.76	2279083.23	1346683.75
2-(14,15-Epoxyeicosatrienoyl) Glycerol	12473597.76	9098524.20	12962956.86
21-Deoxycortisol	4580503.48	3682469.33	15093397.55
2-(1-methyl-1H-imidazol-5-yl)acetic acid	137414.27	142358.52	3880218.67
2,2,4-Trimethyl-1,3-pentanediol diisobutyrate	20136910.84	24043695.27	28573808.04
2,2,6,6-Tetramethyl-4-piperidinone	61320923.40	55546389.84	72151073.29
2,2-Dichloropropionic acid	1358195709.18	1351274140.17	1094243078.70
2-(((2-Ethylhexyl)oxy)carbonyl)benzoic acid	678403731.27	661339932.55	628625737.78
2-(2-Methoxyphenyl)-1-(1-pentylindol-3-yl)ethanone	6641554.47	6900148.25	6759689.42
2-[(3,3-dimethyloxiran-2-yl)methyl]-4-(3-methylbut-2-en-1-yl...	5599943.08	5179255.10	5185521.74
2,3,4,5-Tetrahydro-1-benzoxepin-3-one	43670258.23	22530031.70	32759652.54
2,3,4,5-Tetrahydroxypentanoic acid	36839435.30	31496666.92	37982062.70
[2-(3,5-Dimethoxy-4-hydroxycinnamoyloxy)ethyl]trimethylamini...	61583106.00	29887300.16	46601800.56
2,3-Dihydrobenzofuran	15014965.21	17569760.85	20536227.69
2,3-Dihydropyrimidin-4-amine	9983095.08	9329148.51	11066248.72
2,3-diketo-L-gulonate	42839333.00	41248497.05	50412042.09
2,3-Dimethylmaleic anhydride	925972642.68	1029629928.77	812551559.25
2-(3-Phenylpropyl)tetrahydrofuran	6589617.40	4599814.05	7810241.21
2-[4-[2-[(2,4-Difluorophenyl)carbamoyl-heptylamino]ethyl]phe...	8660983.71	9982683.73	7087096.21
2-[(4-{2-[(4-Cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethy...	9518251.70	10298610.49	8013867.32
2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol	4066693.76	3723978.14	5692909.26
2,4,5-Trimethoxybenzaldehyde	15276669.15	17827501.99	28881271.86
2-(4-Bromophenoxy)ethanamine	22063059.76	26160988.44	20853155.14
2,4-Diaminobutyric acid	362133067.85	364251935.35	336340027.50
2,4-Hexadienoic acid	9938190.25	12779361.47	13371925.76
24(S)-hydroxycholesterol	730638.55	1285104.75	296795.01
2^,5^-Dihydroxyacetophenone	27983103.41	21693676.08	71703013.98
2,5-Dimethyl-3(2H)-furanone	15259569.21	13304784.74	17728172.23
2(5H)-Furanone	184107570.93	394511299.48	339316927.20
25-Hydroxyvitamin D2	7460399.57	9063802.50	10396089.55
2,6-Dimethylpyridine	112226445.60	115902844.91	95006272.61
2,6-di-tert-butyl-1,4-benzoquinone	34549828.03	33693879.40	45958794.49
2,6-Di-tert-butyl-4-ethylphenol	4153905.54	3721895.54	2561076.79
2,8-Quinolinediol	15209119.78	13625991.23	39199746.61
[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-[(Z)-octadec-9-enoy...	76391707.04	74321262.47	87743960.53
2-Acetyl-3-ethylpyrazine	67032778.51	65095621.80	62900718.37
2-Acetyl-3-methylpyrazine	18962492.74	5940602.32	54569206.66
2-Acetylfuran	21908191.61	28015036.43	18584721.14
2-Acetylpyrazine	10150765.31	10638819.54	12052528.50
2-Amino-1-phenylethanol	18325942.69	20741836.94	24292496.33
2-Amino-2-methyl-1,3-propanediol	211310804.45	268671757.57	183145916.03
2-Amino-3-cyclohexylpropan-1-ol	82060456.29	45960373.70	70804095.35
2-Amino-5-chlorophenol	4099085.66	9169050.50	6313460.44
2-Amino-6-methoxypurine	77834979.38	96926206.42	100435508.97
2-Aminobenzoic acid	98891477.75	85538998.68	281537201.37
2-Aminoindan	20009291.17	19361767.44	12259112.23
2-Aminopropiophenone	47759387.10	45808932.73	116367768.50
2-benzyl-4-(octahydro-1H-isoindol-2-yl)-4-oxobutanoic acid	2537860.36	2876165.21	2452883.97
2-Butyne-1,4-diol	9820017.34	19917847.87	17281751.26
2-Deoxy-2,3-dehydro-n-acetyl-neuraminic acid	1156452.84	1796575.94	3374716.60
2^-Deoxyuridine	6540406.17	7456922.73	13490518.95
2-(Dimethylamino)acetonitrile	25476053.62	24118457.64	25145353.00
2-Dodecenal	6596475.77	2309475.14	2879703.56
(2E)-3-(1H-indol-2-yl)prop-2-enoic acid	60546243.07	76387717.86	204543729.83
(2E)-Decenoyl-ACP	24864495.82	33178953.28	39251554.83
2-Ethyl-4-hydroxy-5-methyl-3(2H)-furanone	13191473.59	9625436.57	10973955.96
2-Ethylhexyl diphenyl phosphate	5732913.29	3021833.79	9574914.27
[2-hexadecanoyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phospho...	223369935.97	270824038.32	215162961.55
2H-Pyran-2-one, tetrahydro-4-hydroxy-4-methyl-, (R)-	26162789.08	35243054.95	5756500.24
2-Hydroxy-2-methylbutyric acid	89018769.19	129633193.09	110334941.19
2-Hydroxy-2-methylpropanal	20361058.29	33038348.16	37864384.77
2-hydroxy-3,4-dihydro-2H-1,4-benzoxazin-3-one	96116931.31	61152824.16	146989040.45
[2-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(t...	130551652.14	75887896.58	248743966.12
2-Hydroxy-3-phosphonooxybut-3-enoic acid	5817066.39	7064581.59	3714162.10
2^-Hydroxy-4,4^,6^-trimethoxychalcone	132715304.42	101358262.36	136095806.53
2-Hydroxycinnamic acid	572018676.67	601857215.62	1288935481.43
2-Hydroxydecanedioic acid	8773479.72	8500102.39	4590322.42
2-Hydroxydesipramine	70434684.77	108024354.16	16458343.79
2-Hydroxyfluorene	24779635.23	35292324.59	17722863.21
2-Hydroxyibuprofen	144252520.41	117439090.06	140575665.21
2-Hydroxypyridine	73860143.65	55616517.10	57221895.89
2-Hydroxyquinoline	24015139.92	29876267.60	34238927.88
2-Keto-6-acetamidocaproate	5213026.33	6535336.01	25344062.72
2-Mercaptobenzothiazole	18919485.77	18105543.09	23426262.77
2-Methoxy-5-nitroaniline	59402344.88	53031085.60	61140452.83
2-Methoxycinnamaldehyde	39625044.35	27277140.86	33411902.86
2-Methyl-1-pyrroline	180913205.00	55273369.63	84749180.31
2-Methylbenzyl alcohol	37497186.44	26513964.30	27625835.47
2-Naphthol	56006640.33	159335372.74	58133532.30
2-(N-Morpholino)ethanesulfonic acid	10673945.92	5840687.79	10420820.68
2-Octenoic acid, ethyl ester	70692061.74	75878956.48	67520450.15
2-(Octylthio)ethanol	22690239.89	18370550.14	40498969.73
2-Phenoxyethanol	396382.38	447406.60	406825.56
2-Phenylacetamide	236737444.46	49153365.38	856649153.46
2-Phenylbutyric acid	18758013.25	17822602.98	19316391.50
2-Phenylethanol	16913997.80	47098487.94	25149436.32
2-Phenylglycine	32688455.14	33069465.72	63293531.58
2-Phospho-D-Glyceric Acid	429865354.62	238392768.72	598430750.98
2-Phytyl-1,4-naphthoquinone	82186844.39	84257987.13	82274871.86
2-Picoline	131111049.97	123126973.35	75227782.72
2-Propanamine, 2-methyl-N-(phenylmethylene)-, N-oxide	14404766.85	12501169.98	10445361.33
2-Propylthiophene	7947285.54	7718273.50	7928949.64
2-Pyrrolidinone	71327339.41	85226687.03	107153969.83
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3...	143209548.98	147443056.45	130132864.00
(2r)-3-(Hexadecyloxy)-2-methoxypropyl 2-(trimethylammonio)et...	2692643.76	1176205.21	1324558.05
[(2R,3R,4S,5S,6R)-2-[(1R,2Z,3S,4R,5S)-2-(cyanomethylidene)-3...	1144045.25	3267077.60	2122765.53
[(2S)-2-hexadecanoyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy...	778403.53	1635946.41	1242890.31
[(2S)-2-hexadecanoyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy...	33604427.73	46213593.20	51447287.94
(2S)-2-methyl-4-[(2R,12R,15R)-2,12,15-trihydroxy-15-[(5R)-5-...	27925784.21	43099752.22	35460475.28
(2S,3E,6R)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol	215282966.44	246210584.88	194185190.39
(2S,3S)-2-amino-3-phenylbutanoic acid	59662178.63	51962918.95	82759254.74
(2S,4S)-1-Acetoxy-16-heptadecene-2,4-diol	7843059.42	6189895.51	13579845.55
2-Thiopheneacetonitrile	10267706.05	15764589.62	2029083.82
2-trans,6-trans-Farnesal	4460824.74	3509166.67	1509024.00
3-[(1-Carboxyvinyl)oxy]benzoic acid	11493324.35	16848227.23	2861114.59
[3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-hexadeca...	105514031.52	137971373.88	67060671.38
3-(2-Hydroxyphenyl)oxirane-2-carbaldehyde	8477115.10	8317128.60	7107109.50
3,3^-Dimethoxybenzidine	3563612.23	1251674.55	3754774.06
3,3^-Dimethylbenzidine	12772337.72	15866721.68	16701700.31
3-(3-Methoxyphenyl)Propionic Acid	212057067.80	175773704.75	215049607.24
3,4-Didehydrorhodopin	59862890.45	63297396.41	62777883.85
3,4-Dihydroxy-5-methoxybenzoic acid	29235403.68	25569736.50	23649801.01
3^,4^-Dihydroxyacetophenone	27833723.86	22349713.80	72122675.19
3,4-Dihydroxybenzylamine	8675226.06	7935812.33	21389423.84
3,4-Dihydroxymandelic acid	45598493.08	38530810.42	94431952.30
3^,4^-Dimethoxyacetophenone	5571323.71	6748125.89	5669877.10
3,6,9,12,15,18,21-Heptaoxatricosane-1,23-diol	225208568.37	201706278.96	229368313.72
3,8^-Biflaviolin	1419939706.33	1522302039.50	1229965478.00
3^-Adenylic acid	198057611.27	156225766.35	160295729.56
3-Amino-2-oxazolidone	9354708.25	8571087.63	17376861.57
3-Azaniumyl-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4...	23732884.61	23550605.38	11570423.99
3-Buten-1-ol	27899314.55	72696754.05	20224520.28
3^^-Chloro-3^^-deoxytriphasiol	43520865.56	32533953.92	134479937.59
3-Chloroaniline	12643688.83	14548148.30	11630737.69
3-Dehydrosphinganine	14278951.98	11771920.77	17545645.51
3-Ethylphenol	30318817.27	26582204.30	26400938.90
3-Formylsalicylic acid	66124370.61	109031047.28	168367701.12
3-Guanidinopropionic acid	19287124.52	22425196.21	19170372.06
3-Hydroxy-10^-apo-b,y-carotenal	89437491.70	91682961.06	91791887.97
3-Hydroxybutyric acid	123983914.02	65261811.24	44212889.62
3-Hydroxycoumarin	280232471.18	318576217.55	267881523.92
3-Hydroxylidocaine	14876449.61	19272729.14	14065083.44
3-Hydroxymugineic acid	2953922.88	1861207.23	3340629.21
3-Hydroxypalmitoylcarnitine	34883181.24	41830221.62	84266973.61
3-Hydroxypropanal	15450280.66	9065262.23	32714147.75
3^-Hydroxy Repaglinide(Mixture of Diastereomers)	3186942.41	6120307.01	2913313.53
3-Hydroxytetradecanedioic acid	6507583.73	11339036.86	11074742.81
3-Methyl-4-(sulfooxy)but-2-enoic acid	7945799.80	5527333.42	5368748.36
3-Methylbenzyl alcohol	16708727.98	14725092.39	61563472.12
3-Methylmethcathinone	56808947.01	50133966.21	60917868.36
3^-N-Acetyl-4^-O-(14-methylpentadecanoyl)fusarochromanone	52237838.86	59326373.91	221735610.62
3-Nitroacrylic acid	236300991.52	248920756.32	197495592.40
3-Oxolanosta-7,24Z-dien-26-oic acid	37337100.56	45910720.30	41260977.85
3-Penten-2-one	31354239.58	49737995.45	41689900.47
3-Phenylpropyl isothiocyanate	10692165.21	10905489.70	6322446.13
3-(pyrazol-1-yl)-L-alanine	12507383.92	15359893.90	33475888.30
(3S)-2-oxo-3-phenylbutyric acid	1303444.21	1571730.26	2169908.52
(3Z,6Z,9Z)-dodecatrienol	62276280.34	50173485.07	53438990.51
[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-formyl-3-hydroxy-5-m...	19340170.25	38480707.83	17735902.41
4,4^-Dichlorobenzophenone	9921132.96	11973768.36	4336526.34
4,4^-Methylenebis(2-methylaniline)	417846008.68	335068380.55	359858277.12
4,5-Dihydropiperlonguminine	151472274.63	156749528.37	186477728.35
4,5-Dihydrovomifoliol	10459091.15	7137331.91	10739716.51
4-(5H-Dibenzo[a,d]cyclohepten-5-ylidene)-1-[4-(2H-tetrazol-5...	41342550.68	38743777.90	43031014.69
4-(5-Hydroxy-2-methyl-2-azabicyclo[2.2.2]octan-5-yl)-3-methy...	5813790.38	4435817.95	5206782.17
4,6,9-Trimethyl-3,5,8,10-tetraoxadodecane	1530087.12	2107494.28	2749808.49
4-Allylphenol	219393469.20	203244687.67	224718196.58
4-Amino-5-hydroxymethyl-2-methylpyrimidine	20024484.31	19568736.97	57814831.74
4-Azaniumyl-4,5-dihydro-1,2-oxazol-3-olate	528286970.58	490706050.70	1146597878.48
4beta-Hydroxycholesterol	2044838526.57	1618013592.67	3355651573.33
4-Chloro-3-methylphenol	1655588.13	4303597.76	811452.65
4-Chloroaniline	101119889.80	55045362.63	78962160.81
4-Chlorophenoxyacetic acid	26725066.93	29887363.26	23314767.89
4-Chlorophenylbiguanide	23923354.32	15218851.24	46113726.43
4-Deoxyannoreticuin	1271376.75	2326775.99	1037382.68
4-Ethylphenol	6015369.96	4626569.76	13101176.98
4-Hydroperoxy-2-nonenal	43916538.67	30438136.79	53600562.40
4-Hydroxy-3-methoxycinnamaldehyde	43555823.57	40026082.52	59185058.27
4-Hydroxy-3-octaprenylbenzoic acid	54048511.98	64270017.15	54875666.77
4-Hydroxy-5-(3,4,5-trihydroxyphenyl)pentanoic acid	27219148.47	27884944.68	26659525.98
4-Hydroxycinnamic acid	62738885.85	57932436.56	125583846.91
4-Hydroxycoumarin	13073588.44	15849141.63	18478820.67
4-Hydroxy-l-tryptophan	38625674.50	26413592.27	93202096.53
4-Hydroxyphenylglyoxylic acid	52031067.91	75306209.78	54191328.69
4-Hydroxystyrene	26110453.07	42227700.57	31056216.48
4-Methoxybenzaldehyde	56084347.23	47469762.07	76218103.52
4-Methoxycinnamaldehyde	27875053.29	9567422.77	26526477.13
4-Methylcatechol	11724000.94	12483382.36	30410439.75
4-Methylene-L-proline	58050430.46	89598442.73	53709508.35
4-(Methylsulfanyl)-2-oxobutanoic acid	123067154.89	117530322.89	131744191.04
4-Nitrobiphenyl	17786208.21	30038639.12	18316990.03
4-Nitrocatechol	423820560.03	439116189.42	402681276.70
4-Oxo-2-nonenal	20308006.71	18434152.35	22573564.28
4-Pentenoic acid	30416941.14	41723410.02	65592630.32
4-Pyridoxic acid	11996515.33	4731014.14	12181833.16
5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclo...	3216951044.17	3276105855.83	3082639539.33
5-(3^,4^,5^-Trihydroxyphenyl)-gamma-valerolactone	9093525.94	14110335.95	1971492.70
5,5-Dimethyl-1-pyrroline N-oxide	15222518.93	23909390.52	24476557.67
5,5-Dimethyl-2(5H)-furanone	5655462.02	6213391.94	5987426.38
5,6-Dichloro-1-beta-D-ribofuranosylbenzimidazole	5521949.00	4423182.96	10114572.07
5,6-Dihydroxyindole-2-carboxylic acid	43769174.33	25463684.10	186941632.47
5,8,11-Eicosatrienoic acid	13025274.58	15383803.95	12336320.13
5alpha-Androstane-3alpha,17beta-diol	196720597.00	388916059.95	175793883.08
5-fluoroindole-2-carboxylic acid	26235120.67	33926243.26	24999262.51
5-Hydroxy-6-methoxy-3-methyl-2-octaprenyl-1,4-benzoquinone	31423525.76	37542131.95	31018824.22
5-Hydroxymethyluracil	1818434437.83	1830979513.17	1279876019.77
5-Hydroxypyrrole-2-carboxylic acid	23973590.81	51613271.78	32891920.31
5-Hydroxytryptophol	10483272.21	11187364.69	8887115.56
5-Isoxazoleacetic acid, 4,5-dihydro-3-(4-hydroxyphenyl)-, me...	923423.49	490619.15	5553690.49
5-Methoxyindoleacetate	74238011.94	69157111.83	109887833.46
5-Methyl-2-furancarboxaldehyde	26190928.41	20301120.32	17362562.07
5-Methylangelicin	11568122.79	14830962.88	8547653.28
5-Methylthiopentanaldoxime	1805388.43	5091261.38	2501156.98
5-Methyluridine	390756249.96	311485266.40	578378885.02
6,10,14-Trimethylpentadecan-2-one	25532096.73	27755397.23	24954607.95
6-(2-Hydroxyethoxy)-6-oxohexanoic acid	18768290.65	18204313.48	11418980.47
6-Butyltetrahydro-2H-pyran-2-one	9750655.97	9575459.08	10509877.69
6-Hydroxycoumarin	115958312.59	98050684.25	114009088.38
6-Hydroxyhexanoic acid	65535743.91	60378717.63	33366689.77
6-Keto-prostaglandin F1alpha	4456105.41	6126202.01	11905308.01
6^-Methoxycinchonan-9-ol	2466678.60	1122979.44	1646286.35
6-Methyl-5-hepten-2-one	23090596.64	23592839.64	31878762.13
6-Methylnicotinamide	93610979.21	89442365.67	92084314.52
7alpha-Hydroxycholesterol	188057949.87	432988432.33	498276473.75
7-Ethyl-10-(4-N-aminopentanoic acid)-1-piperidino)carbonylox...	5939405.75	6275068.12	5669118.67
7-Hydroxychlorpromazine	10487787.93	10009718.23	37302045.61
7-Methoxycoumarin	26807034.36	24459143.83	24770777.19
7-Nitroindazole	69290203.93	83598873.70	57025810.90
8,15-Dihete	1039464.55	2068316.57	729258.49
8,9-Epoxyeicosatrienoic acid	4213229.51	2767379.82	3631764.98
8-Demethyl-8-(dimethylamino)riboflavin	68046411.84	60524260.69	131474069.90
8-Deoxylactucin	25441976.50	20110385.23	22845715.01
(8)-Gingerol	12236370.25	5695091.60	17240516.65
8-Hydroxyguanosine	57220106.47	52049017.48	114154707.48
(8R,9R,10R,13S,14R,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6...	1686883.49	2265581.67	5368367.78
9,10,13-Trihydroxystearic acid	27107198.55	30586732.78	25709182.77
9,10-Epoxystearic acid	4551532.17	2541908.26	8112765.67
9-Aminoacridine	243181507.53	154625828.24	184993279.90
9-Decenal	29333876.56	52815926.69	33901280.30
9-Hexadecenoic acid	38542542.33	23232915.38	45250504.67
9-Octadecenal	33363055.44	63139231.25	41014780.41
Abietic acid	10885662.45	9692270.59	25863633.70
Acesulfame	88960297.82	99458947.12	79929217.82
Acetoacetic acid	136133643.76	172901005.79	80259766.50
Acetohexamide	2939918.49	2464827.47	11139769.21
Acetylcholine	140014094.84	130050472.06	174694698.45
Acetyl-L-carnitine	26512927.72	19766775.07	53606954.46
Actinorhodin	5331234.52	6827684.41	2302406.78
Acyclovir	10145432.08	10567661.28	9245100.52
Adenosine-3^-5^-diphosphate	36541631.68	34479604.47	31981115.77
Adenosine-5^-diphosphate	132645132.85	152396087.37	126638724.44
Adipic acid	9006439.88	9085009.29	13532934.29
Adrenosterone	35694932.00	38559503.90	41953235.26
Aflatoxin M1	57762.22	381.81	166337.21
Agroclavine	18203158.01	16830258.30	21630721.55
Ajmalicine	4023410.25	2873884.41	7482472.41
Alantolactone	6923652.06	5260012.69	5722115.79
Alanylarginine	5066298660.33	4999882917.50	4656195613.33
Aldosterone	3361413.28	3583118.84	3217029.32
Alfentanil	33723584.86	55815544.05	44085906.04
Alitretinoin	4321275.00	5340403.76	5570041.34
Allantoin	106582934.14	90227897.71	199306793.97
alpha-Butyl-omega-hydroxypoly(oxyethylene) poly(oxypropylene...	3581725.52	3274511.95	4610593.97
alpha-Dimorphecolic acid	58142118.57	67464185.50	65524535.67
alpha-Ergocryptine	18327590.03	6888897.80	11561207.27
alpha-Hydroxyisobutyric acid	25262696.00	22176731.52	56959060.75
alpha-Ionone	26777375.05	22942920.89	19816256.29
alphaS-Amino-2-[[4S-amino-4-carboxybutyl]amino]-4H-imidazo[4...	11917281.92	5876743.33	2830632.74
(-)-alpha-Terpineol	93516337.44	100599827.85	105398482.97
Alpinine	480959319.87	491880415.62	496557170.35
Altretamine	20122230.07	17225659.18	12996807.60
Amikacin	2815228.69	1592609.94	2035949.63
Aminocaproic acid	124397939.46	142829066.49	96325659.15
Aminoglutethimide	7149185.38	2235357.54	3039569.81
Aminoguanidine	11701137.82	32901136.67	7758020.38
Aminopentol	219248284.97	207476685.73	253358504.35
Aminopterin	1113590.95	1116190.31	9836526.02
Amiodarone	3487083.69	4258070.19	1504837.91
Amodiaquine	7726970.84	8212166.75	7937199.76
Amphetamine	28392393.85	38832935.89	26056445.03
Ampicillin	9140893.47	15737741.55	14287373.17
(-)-Anabasine	273294182.96	132189561.40	299596477.10
Anethole	40589143.70	42228178.66	63206711.64
Angelicin	7823251.92	6196967.18	5660441.64
Angiotensin I/II (5-8)	5329187.06	3720036.10	6714597.56
Angiotensin IV	7973916.17	6614482.89	10338039.21
Aniline	7925859.66	10320404.02	3453812.60
APGPR Enterostatin	2722187.73	1231609.94	3189303.35
Apocarotenal	283543.31	415548.92	798952.78
Arachidic acid	423047963.37	437919991.83	358785914.50
Arachidonoyl PAF C-16	18995743.34	53510647.72	24932770.33
Arg-Ile	8030385.29	9714083.23	8189933.82
Armillaricin	2750093.38	3575954.19	3253747.35
Armillarin	424308644.92	448527032.20	378336966.94
AS 1-5	83002904.66	113322832.17	75487341.06
Asclepin	23575470.80	17359303.65	19665755.00
Asn-Trp	6834317.29	5761249.51	11804160.88
Aspartylcysteine	70390726.56	74244100.69	49895525.66
Asp-Lys	59175801.96	57225060.89	121981053.08
Astemizole	5082561.11	4111996.97	7319529.72
Atazanavir	1401245.78	1231710.92	3244637.77
Atorvastatin	2774348.54	2876759.90	2426592.78
Atractylenolide III	19678782.33	17673370.02	21529852.99
Auda	5034059.88	8273430.82	5204182.39
Aurantio-obtusin	170987745.70	169224561.29	185401548.68
Azacitidine	24970125.75	22323712.98	49468151.32
Azaperone	26608465.52	20787717.59	28876895.25
Azelaoyl PAF	1431852.16	679147.61	16590619.18
Bacteriohopanetetrol glucosamine	30804218.77	42365829.73	31479087.10
Bamethan	3511439.09	5070095.05	4906738.77
behenate	116578413.54	110360529.87	98121593.80
Benthiavalicarb-isopropyl	2079437.77	2263153.13	5920033.93
Benzamide	121924657.03	134091382.37	165422919.69
Benzidine	1121670393.67	1335355990.50	904526786.48
Benzophenone	31809023.01	43018436.53	37836464.96
Benzoylagmatine	1499786.03	2049388.97	1401545.76
Benzoylecgonine	9515569.01	8297629.72	23958805.11
Benzyl isothiocyanate	54251792.14	80109293.63	119639764.73
Benzyl methyl disulfide	22633321.78	16463327.35	28218977.91
Bepridil	3273131.64	2808283.81	3606842.79
beta-Carotene	28792031.45	28652599.17	24394873.50
beta-D-glucosyl-N-[(17Z)-hexacosenoyl]sphingosine	8085389.14	14309441.95	11262574.88
Betaine aldehyde	82896936.91	35950395.05	67605285.71
Betamipron	16677045.62	14652909.29	19457963.74
Betaxolol	757578.87	903441.62	5521872.37
Bindarit	107557693.69	107129285.14	84426616.22
Biopterin	25643639.80	21659519.32	59228310.70
Bis(2-ethylhexyl) phthalate	94716221.23	96518070.68	120454111.75
Bis(2-methylpropanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene	132392091.57	101350862.39	116268267.48
Bisdemethoxycurcumin	51962393.73	42889567.03	47776641.88
Bisphenol A	162049754.38	175122062.57	373305219.20
Bucharaine	4040541.21	3289244.39	8678778.23
Buprenorphine	9889013.26	9234717.82	6761935.37
Buprofezin	242407163.15	176846747.99	186803717.25
Busulfan	16214929.56	20907424.84	15824140.69
Butopyronoxyl	47512948.09	45291772.61	54033220.84
Butorphanol	16557463.81	17501261.49	17819913.26
C-12 NBD-dihydro-Ceramide	40249097.78	29862790.45	37059281.04
C22 Sphingomyelin	25241437.32	10918022.77	10647464.11
Cabergoline	5746166.05	2168373.49	4672757.63
Caffeic acid	46755295.52	44310709.93	85836889.10
Caffeine	943586182.98	692784003.25	775886623.42
Calcipotriol	7678817.06	10090011.53	11294899.50
Camphene	3115574.52	4969188.86	9203823.05
Capecitabine	4450694.15	3742670.17	4247693.52
Capsidiol	24972150.70	22527124.27	23568715.77
Carbazole	65520265.03	78055396.89	78308696.50
Carbophenothion	4548282.11	3783672.27	7123787.97
Carnitine-2-methyl-C4	22850641.07	26029046.29	27653337.46
Carnitine C18:1	51072220.02	62506202.96	124415775.21
Carnitine C3:0	217372661.17	178293351.11	135739541.54
Carnitine isoC4:0	86680629.16	69541929.72	146371076.51
Carvyl acetate	32105384.19	13025572.91	16549374.03
Celastrol	7140397.41	7732229.51	4880361.03
Cerebroside B	149878563.48	145207364.73	150920524.65
Cetaben	42803315.03	43201403.82	52253117.30
Chelidonine	311125402.77	253595010.41	1234899921.03
Chloramphenicol	3470924.23	3666553.14	8292139.50
Chlorbufam	17144606.54	17517301.65	21164029.09
Chlormequat	36261944.29	37506279.06	40044497.86
Chloroform	261219943.88	213748563.33	194088557.98
Chloroxylenol	948665807.77	1002019054.67	925655402.64
Chlorphenesin	1166886.37	996940.25	1797732.81
Cholest-5-en-3beta-yl nonadecanoate	237796707.06	318116709.07	150870697.80
Choline	606615173.73	394292318.70	908875895.87
Chymostatin	2628172.96	1458981.49	2409320.33
Ciclesonide	3482748.23	4740830.22	7815659.16
Cinnamic Acid	11802720.87	10545176.56	38947131.07
cis-11-Methyl-2-dodecenoic acid	85078634.69	59682398.18	74270936.13
cis-Murisolinone	97920715.55	112500405.71	79526916.99
Citraconic Acid	2867710.69	2336847.94	2661493.61
Citraconic anhydride	131437563.72	113316006.85	326326439.55
Citromitin	6096291.08	8356549.06	8277049.43
Citrulline	13352810.66	10016514.42	11248168.31
Clitidine	5037527.15	3587962.25	5714687.67
Clofibrate	21583273.60	17567435.60	27472244.25
Clomipramine	5134220.14	3867955.41	16124811.74
Clopidol	182598552.68	350775191.78	57397734.45
Clotrimazole	4218958.85	2946645.66	4858816.82
Clozapine	111031731.29	107179294.95	840109805.38
Coenzyme Q8	4101752.69	3998943.84	8928097.12
Colchicine	16814302.29	14371903.47	18064804.41
Colfosceril palmitate	44785928.47	72445555.64	72472550.52
Conessine	43045982.72	53290094.09	47829633.91
Convolamine	9519081.00	8865193.98	8811463.64
Cortexolone	10074037.46	18037095.28	8629093.10
Corticosterone	5343429.28	6559307.93	2470040.72
Costunolide	21948894.87	31862412.12	57623070.97
cotinine N-oxide	1505290747.33	1517053534.50	1293490670.17
Creatinine	47899464.79	48508826.52	91950778.86
Crotamiton	11988327.07	11236253.77	12608810.45
Crotonic acid	117681749.32	120826045.27	122683378.68
Cucurbitacin E	9950249.99	6285629.66	2966476.25
Cucurbitacin I	4273712.96	5005631.42	3962065.44
Cuminaldehyde	19859307.77	22057539.33	25221730.68
Cyanophos	291780520.21	371527562.49	333786088.66
Cyclic AMP	807158.87	426808.59	2899923.83
Cyclocreatine	38082960.70	36178582.96	123440902.77
Cyclohexanol, 4-methyl-3-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-...	24526716.24	32668525.35	18867023.41
Cycloheximide	81118452.66	65584125.38	184195683.34
Cyclopamine	56470558.06	69187173.83	91023225.09
Cyclopentanethiol	6341549.05	4435492.39	6442115.11
Cyclopentolate	47105529.90	41113988.22	44368089.75
Cyperine	9878052.21	12377582.27	9634898.43
Cytidine-5^-monophosphate	5556681.88	6177704.65	5395919.70
Cytosine	72789911.47	80041922.75	46612570.84
Daidzin	3289496.36	2208489.17	4139524.61
Darifenacin	4362435.79	5276272.58	11994961.09
Dazomet	48893160.36	47367417.28	62710023.98
D-Camphor	14234399.63	13405570.94	18692474.80
Deethylatrazine	8118290.97	4729304.71	11171536.86
Dehydroascorbic acid	13610295.71	14013349.09	52276700.30
Dehydrocostus lactone	44003339.17	59967880.04	43341207.79
Dehydropipernonaline	24981351.73	23468415.14	60364011.55
delta-Hexanolactone	2667914.05	5128510.03	3271167.65
Deltaline	8637319.23	3771911.63	4647080.24
Demeton-S-methyl	28848483.78	50442005.37	27509716.10
Desmethylclomipramine	5884727.74	4008907.11	12856557.05
Deterrol stearate	119867495.03	157703259.45	134378535.54
Dexamisole	79441873.97	64704001.64	187202532.44
Dexrazoxane	32242576.17	36059501.32	32263330.05
DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	7548368.41	4048073.01	3609432.83
D-Homocysteine	264574459.95	247194768.50	271138104.99
Diallyl disulfide	3426006.80	5565660.78	3909099.42
Diallyl sulfide	24768557.46	54264573.23	14644778.82
Diammonium ethylenebis(dithiocarbamate)	4639668290.00	4977567136.33	4128680250.50
Diaveridine	143414939.87	143458724.63	186023948.09
Diazoxide	13779706.01	20809189.66	10850189.97
Dibasic sodium phosphate	1060579266.03	1700036833.82	821644281.57
Dichlofenthion	12267137.36	19859155.84	9656560.65
Dicyclohexylamine	109067636.06	83785517.55	289826444.10
Diethanolamine	494484766.73	422565308.74	631847097.22
Diethylpropion	99288339.54	89245121.93	92518278.46
Diethyltoluamide	53608962.25	53349312.60	70171062.28
Difenzoquat	4287408.14	3143771.41	3748138.86
Dihomo-gamma-linolenoylethanolamide	3360500.56	4403775.26	2758251.71
Dihydro-3-methyl-2(3H)-furanone	38191346.69	30536115.68	42425143.85
Dihydro-5-propyl-2(3H)-furanone	26841984.09	30686319.38	32687850.60
Dihydroactinidiolide	34684622.47	32227456.78	41410622.99
Dihydroberberine	19053346.08	6288828.16	18136493.55
Dihydrobiopterin	34548040.20	32834360.74	100864464.25
Dihydroferulic acid	154314957.12	147582607.60	209001537.03
Dihydrokavain	249371042.07	272168537.90	574695213.92
Dihydrorhodamine 123	10848333.21	10293522.63	9910694.85
Dihydrouracil	190583788.23	203685840.02	130131564.71
Diisobutyl phthalate	95601787.67	108293088.53	144053628.42
Diisooctyl phthalate	46346496.73	39753894.38	65188923.99
Diltiazem	6915950.27	4695769.10	10014638.95
Dimethyl fumarate	2190046.98	1864665.04	2343780.57
Dimethylglycine	65213318.27	45991139.78	130663770.99
Dimethyl phthalate	15833314.15	10794565.87	12576609.88
Dimethyl suberate	64733323.78	49697119.47	107630161.98
Dimethyl succinate	24298523.63	22197175.61	15714085.85
Dimethylurea	202988598.99	182417929.81	81801698.39
Dioctyl phthalate	68748993.11	70999363.39	90576833.20
Dioleoylphosphatidylcholine	435064716.35	237957385.65	632695294.32
Diosgenin	10573487.31	15891889.66	16101030.32
Diphenidol	51444199.56	29362762.05	63511017.45
Dipivefrin	35154440.30	28223117.91	62266858.47
Disogluside	32189319.36	53188997.93	40832552.91
Disopyramide	5390936.22	4688495.51	3824694.70
D-Kynurenine	632378636.20	574881263.95	609451456.78
DL-3,4-Dihydroxyphenyl glycol	2868487445.00	3024862185.17	2017576637.17
DL-Leucine	39370397.52	37065681.79	83519557.58
DL-Methionine	7350821.24	5812703.88	10438481.40
DL-Pyroglutamic acid	58204582.74	59385729.53	71104168.71
Docosahexaenoyl Ethanolamide	19639591.53	35682844.11	63826384.73
Dodecanedioic acid	56600993.85	65145929.73	82011922.23
Dodecanoic acid	63042459.17	58287229.11	59613638.48
Dodecyl glucopyranoside	16735183.99	16456637.85	15696529.23
Dolasetron	6234721.02	5071683.59	7207579.92
Dopamine	7345497.08	4648651.14	6366661.73
D-Ornithine	14629496.79	18144309.56	24156026.46
Doxercalciferol	1704619.76	2287622.71	2024421.12
D-Proline	75286303.10	247987595.34	77911084.75
Dropropizine	23100235.56	13486579.41	20400074.20
Dyphylline	50864707.76	34840115.92	83762637.52
(E)-2-Butenyl-4-methyl-threonine	14970422.77	12587013.54	15228183.34
Ebastine	17269658.42	6358838.62	8232808.89
Ecdysone	1293321.32	1149408.56	1472278.80
Echinocystic acid	13403235.45	12132443.17	10045102.35
Ectoine	103015941.03	91018607.01	98463388.09
(E,E)-2,4-heptadienal	10463543.55	11049548.68	12298071.54
Eicosadienoic acid	51039714.53	43299420.05	27823561.95
Eletriptan	16322865.29	20629048.67	22415494.17
Enalaprilat	67620946.72	71049148.32	106614933.75
Enantio-PAF C-16	45488880.33	35204048.35	142918283.37
Endomorphin 2	4372864.07	4805269.90	16256239.86
Enoxacin	8859094.55	7718656.30	10396040.96
Epigallocatechin	361938557.12	265589309.95	421168879.28
Epigallocatechin gallate	8858291.48	9475782.59	16975309.18
Epsilon-caprolactam	285018270.35	320529688.55	366484934.48
Ercalcitriol	11012214.03	11488563.40	10391499.50
Ergocornine	4940724.01	3860772.77	3468824.10
Ergocristine	7489.98	7489.98	355454.07
Ergosterol peroxide	19409567.82	15724836.45	24323099.31
Erythorbic acid	294600859.53	392396302.37	215120269.83
Erythrono-1,4-lactone	730458189.18	817308192.62	646983210.42
Esmolol	5295955.21	2025090.31	2902602.29
Estrone	32463686.26	40474026.58	46485058.56
Ethanethioic acid, S-[1-methyl-1-[(1R,4R)-4-methyl-2-oxocycl...	2275514.88	2302772.37	3537851.69
Ethephon	12187741.01	14681881.86	16123091.18
Ethisterone	14310671.84	14636301.15	12662245.74
Ethosuximide	12263083.93	12868672.52	15260007.64
Ethoxzolamide	312581536.53	279023083.07	249625452.73
Ethyl hexadecanoate	75525283.53	83549553.48	81365176.76
Ethylmorphine	29536555.66	24589166.35	44457670.20
Ethyl trans-2-hexenoate	3402052.15	6470237.97	2707138.71
Ethyl vanillin	62315215.14	80602984.55	169230943.31
Etilamfetamine	21759082.75	46457588.36	17107302.02
Etofenamate	2967829.37	2662732.01	5613077.98
Euscaphic acid	2141282.08	1447695.83	4027276.06
Exemestane	22718863.30	43802305.10	38707661.98
FAPy-adenine	172980819.48	141752021.68	289267220.37
Fasciculic acid C	12440442.91	20256033.74	16046979.46
Felbamate	258320531.48	188924298.95	821029976.10
Fendiline	77025154.10	59341102.29	40559250.95
Fenethylline	4054906.38	3352494.38	7087606.98
Fenoterol	42779884.14	24188599.70	93324493.70
Ferulic acid	64575954.49	70688668.20	72353914.70
Fexofenadine	59482316.34	43960503.32	48743723.24
FFA(10:1)	5376003.18	4138308.96	4784576.50
Finasteride	6227719.27	8794532.70	7327189.46
Fipexide	15525334.79	17705118.57	25542224.56
Firefly luciferin	2596154541.17	2608693282.83	2570760272.50
Flavin adenine dinucleotide	6167932.65	4315447.04	7677232.10
Flubendazole	1046788.36	1030872.98	2227594.20
Fluchloralin	77823406.40	102157813.16	352444275.49
Flucytosine	1556596.65	1545033.67	796419.58
Fludrocortisone acetate	10864998.77	8778940.51	10105011.27
Fluometuron	79945443.41	53517226.55	118460183.22
Fluphenazine sulfoxide	44345938.17	52265445.90	49342544.76
Flurandrenolide	35375341.82	39402764.20	51544486.28
Flurazepam	6887107.05	9290133.04	20666322.77
Folic acid	7421604.16	5421527.27	33990297.63
Fomepizole	2402793838.85	1168931944.55	1127027495.80
Forchlorfenuron	72958542.13	80106610.35	75362386.35
Fraxidin	30700254.06	36172217.70	32404257.75
Fumitremorgin C	68636.78	8115.12	147236.44
Furazolidone	57063957.00	62935858.77	59981170.46
Furfuryl alcohol	12912708.57	17206098.35	44726274.46
Gabexate	1714738.99	1563447.42	10037668.46
Galantamine	9107008.73	9240410.88	8192021.02
Galegine	2701834.92	2952652.44	2346005.88
Gallic acid	11066232.32	11507706.13	9160881.03
Gamma-Caprolactone	19187436.93	18941696.88	19712901.61
gamma-Glutamyl-2-aminobutyrate	5302229.57	3654948.04	8379975.40
gamma-L-Glutamyl-L-pipecolic acid	1857554.44	486376.08	1151666.27
Ganodosterone	195063787.46	214213172.35	205301897.16
GcNeu	31111983.18	46410679.79	26478977.03
Genipin	13880089.89	11022039.10	43187409.32
Gentian violet cation	18446722.95	12124312.56	38689181.72
Geranyl acetate	27875461.31	21770811.57	22469420.98
Geranylgeraniol	151862802.47	120845079.47	118567886.68
Geranyllinalool	14062868.10	25203679.23	14939846.21
Germacrone	40492995.06	43171128.00	72280857.48
Gingerol	9640946.05	6505693.03	13416871.98
Ginkgolide B	945859.23	854192.52	4165729.88
Ginsenoside Rg3	7297087.37	12454965.07	9627898.02
Glucosaminic acid	134534147.72	118094551.27	70719593.55
Glucovanillin	33127148.96	24845540.50	39996559.11
Glucuronic Acid	6220994.88	11327423.18	6095681.43
Glu-glu	4073430.15	3613120.68	4055929.21
Glu-His	62971943.10	48126653.30	79784359.48
Glu-Met	199191780.63	191597386.50	588751011.63
Glutaminylalanine	282513867.40	261548091.85	329636390.73
Glutathione	55023652.08	72041532.38	54322857.36
Glyburide	1392967.31	1599029.78	3289069.58
Glycerol	7264170.70	5050182.46	7021059.22
Glycerol 1-(5-hydroxydodecanoate)	2029865.37	2991868.26	1562081.04
Glycerol Tributyrate	18312571.28	16821271.38	19010813.41
Glycerophospho-N-Palmitoyl Ethanolamine	7247281.99	6568438.24	11103884.90
Glycidyl oleate	53312877.17	60567006.81	47988919.05
Glycine	22087500.53	20886400.23	17844682.14
Glyc-Pro	14505952.26	22734589.29	18612216.76
Gnoscopine	3243479.06	1861536.79	7270339.52
Gossypetin 8-glucuronide 3-sulfate	686333736.20	737556787.68	578165320.22
Guaifenesin	16866771.99	27258977.15	16992347.06
Guanidinosuccinic acid	20318285.40	19553079.12	51910517.34
Guanosine-5^-diphosphate	10840559.79	13886640.26	6804886.64
Haloperidol	9241077.60	7679139.39	6897639.32
Harmaline	18646628.68	17070085.50	40817755.88
Heneicosanoic acid	63707816.31	64648328.43	59827489.57
Heptethylene glycol	183587475.25	169577566.93	208085369.11
Hexadecylamine	45873797.19	68802260.57	22608220.99
Hexaethylene glycol	95359501.50	84431979.97	89945154.31
Hexamethylene bisacetamide	7195318.56	4606494.42	7608738.13
Hexanoylglycine	4375709.22	4208259.25	9977071.51
Hexazinone	21428505.70	15980513.07	22738171.18
Hexetidine	3652370.60	3864731.67	6605914.35
Hexylresorcinol	19245771.57	20400347.34	27179455.11
Histidinol	7361055.42	4200638.90	25694047.55
Hydrocodone	7487489.10	6847122.37	12030486.29
Hydroquinone	10307536.38	8376071.90	13072802.77
Hydroxyomeprazole	7027682.70	3715370.71	14067306.94
Hydroxyquinoline	53562088.90	60877563.84	79177191.38
Hydroxytyrosol	83910676.01	78901172.57	166960373.43
Hyocholic acid	23843885.08	21206884.25	27249800.62
Hypotaurine	8291003.62	10583535.70	5186191.19
Hypoxanthine	19198135.57	44331712.33	137613262.26
Ile-Met	215000726.80	296693015.50	148591743.95
Imatinib	65193982.54	50205729.70	63945435.59
Imidazolepropionic acid	94906136.86	131472815.36	84315093.50
Iminodiacetic acid	95615291.56	84521226.63	220445071.92
Imiquimod	10117787.32	9235312.02	12021765.17
Indecainide	3198551.25	3090497.60	4235905.59
Indole	186299633.17	183797504.27	208460660.75
Indoleacetic acid	66593411.79	55975373.30	180953864.70
Indolepyruvate	9090435.41	11482651.39	32301103.37
Inositol	848271.18	504370.59	1370603.16
Irbesartan	7929348.37	6901034.91	7430104.46
Irinotecan	5601700.72	4879277.01	6333662.44
Isobavachalcone	3669892.11	2361316.23	5560986.19
Isocarbamid	94658454.94	97988706.49	152571377.04
Isocitric acid	75594642.78	55417847.47	88101615.49
Isofraxidin	1193173964.33	1287701187.37	1263842845.33
Isoleucylleucine	4170185.98	1373174.19	9360686.55
Isolithocholic acid	3105571183.00	3134196392.67	2914653672.00
Isoniazid	36366363.27	35617078.23	66603704.07
Isonicotinamide	118081737.42	112680572.12	166380224.69
Isonicotinic acid	60436961.70	12554459.53	83515253.93
Isopalmitic acid	5391905508.50	5155258054.33	5621655919.50
Isopentenyl pyrophosphate	214676466.20	234708886.93	208891941.80
Isophorone	9736914.56	11179268.57	15661078.58
ISOPRENE	37179273.05	29268722.56	41093230.59
Isopropalin	1308202.34	826139.05	1983327.18
Isoprothiolane	8256382.74	8483762.59	7825305.20
Isoquinoline	16003647.26	35556946.72	22377877.02
Isorenieratene	40868767.91	50930067.42	91153324.69
isovaleryl-Val-Val-Sta(3xi,4xi)-Ala-Sta(3xi,4xi)-OH	1166153.30	1272802.14	4985964.13
Isovanillic acid	91747168.50	66006192.27	92928317.43
Itaconic acid	17635851.79	14768393.14	26743398.94
juvenile hormone III	11259760.33	9062629.69	16750614.21
Kanamycin	16759357.49	15355721.35	9860271.43
Ketoprofen	40305594.17	32530979.53	68636891.00
Ketotifen	16181653.78	7181347.81	101338909.00
Kojic acid	26216270.07	38612830.15	5990106.74
Kynuramine	3583297.51	1175973.83	3691809.11
Lactucaxanthin	243881809.48	389118747.28	278736626.70
L-Arabitol	381860737.50	399054225.53	319711546.72
L-Argininosuccinic acid	585047.19	491523.89	4513174.16
Laudanosine	2430224.69	2054304.40	2621042.42
L-cystathionine	173687309.50	100188353.03	280047567.74
L-Deoxyalliin	67717287.06	68182650.31	101754012.41
Leucyl-leucyl-tyrosine	22565440.42	15315022.26	29005567.14
Leu-Ile	14287571.91	4881329.09	6464975.41
Leukotriene B4 ethanolamide	17019140.83	16250390.08	17976373.42
Leu-Val	7701558.34	2155306.48	10373589.90
Levocarnitine propionate	5864705.04	5708128.21	9026907.42
Levoglucosan	6488666.76	9284096.89	11667523.83
L-Homoarginine	36448657.60	37615361.75	27088502.00
L-Homophenylalanine	8923736.39	7780201.22	73781441.48
Limonin	13203192.71	15702275.09	12739423.75
Linalyl acetate	5819848.45	7244840.69	7688255.61
Linezolid	7452779.25	3918609.94	10148827.11
Linoelaidic acid	43457912.26	47511077.89	25340705.81
L-Isoleucine	78383290.05	111734167.73	100052358.76
Lithocholic acid	284095172.40	278420237.53	246885406.53
Lithospermoside	2959132.25	1681622.35	3739189.66
L-Leucine	2281661959.50	4291104739.85	14342904833.00
L-Leucyl-L-alanine	19513564.35	22699742.43	19637833.39
L-methionine sulfoxide	122079973.67	179636365.19	30804452.17
L-Norleucine	23363446.56	25097637.54	84537558.44
Lopinavir	15322287.16	16615771.82	43195670.69
L-Palmitoylcarnitine	233091286.17	270369615.30	437824972.73
LPC(0:0/14:0)	6339784.02	7020926.29	5895033.04
LPC(0:0/16:0)	8889568.84	4865374.61	17131127.86
LPC(0:0/20:4)	11416083.71	8532625.75	14816331.23
LPC(0:0/22:5)	41844542.54	42453933.82	50240705.87
LPC(16:1/0:0)	701339007.45	554268544.20	2048406309.70
LPC(18:0/0:0)	37891281.24	24485554.78	42102798.31
LPC(18:1/0:0)	465415227.43	346030012.40	777797351.23
LPC(O-16:0/2:0)	64401815.88	67447918.00	81049151.41
LPE(14:0/0:0)	12274552.25	9547654.62	14924345.64
LPE(16:0/0:0)	6531802.49	5712602.72	7571271.66
LPE(16:1/0:0)	44989456.81	41034602.69	95379450.22
LPE(18:0/0:0)	42025488.45	45226298.16	64522877.59
LPE(18:2/0:0)	45816427.06	40809041.82	85444673.05
L-Phenylalanine	1003276111.18	929848169.27	2431552047.67
L-Proline	492573822.33	616628161.15	1027482552.08
L-Prolyl-L-methionine	46576435.12	32678556.27	95187019.39
L-Propargylglycine	4666460.04	3674841.43	6048345.56
L-Threonine	147067923.13	165130131.45	160602975.54
L-Tryptophanamide	37147185.40	31410440.37	68089608.87
L-Tyrosine	1781522408.17	1607356948.53	3444085449.17
Luffariellolide	42722445.02	48917150.40	49022900.38
Lumazine	60820850.03	65366226.48	100283361.64
Lumichrome	235939554.43	188244417.28	307617971.53
L-Valine	378359738.37	428370563.90	756197042.47
Lys-Asp	91643029.53	91935662.82	218135737.33
Maltol	139844743.19	156430284.80	82718466.76
Malvidin	24535149.02	19212614.28	29963656.50
Manoalide	226866457.70	242691271.72	191016944.65
Maslinic acid	4032135.73	5477566.08	4441395.67
Matairesinol	3273005.83	2756091.49	2340484.64
Medica 16	36202593.22	36264066.03	25910353.57
Medroxyprogesterone	5180129.33	4794489.04	4934505.03
Mefenamic acid	132002419.07	139035974.38	134337105.25
Melamine	9884479.99	7181816.83	24445724.67
Melatonin	24669166.20	36035323.54	34246934.20
Menatetrenone	259127880.08	331858734.25	324883097.93
Mephentermine	266150581.66	223464029.56	271546691.30
Mepiquat chloride	755492.06	1523864.84	977297.48
Meropenem	58843754.45	50303367.45	71392010.14
Metaxalone	76168464.23	93962116.40	63773017.81
MET-enkephalin	6835607.65	4594188.94	7011884.60
Metformin	36646075.17	39214323.75	45255167.12
Methoxyphenamine	1087213398.53	1053650861.28	1187188691.92
Methyl 1,4a-dimethyl-6-methylidene-5-[2-(2-oxo-2,5-dihydrofu...	20996684.87	27836704.24	21785089.21
Methyl 2-octynoate	99379126.11	114504070.83	83194002.77
Methyl 3-methyl-2-oxopentanoate	7270453.56	6308376.33	4759588.28
Methyl beta-D-galactopyranoside	4414271.52	2506328.35	4407025.85
methylcarbamyl PAF	13775822.28	14440897.44	11130192.62
Methyl cinnamate	13661077.47	10424750.52	17345456.38
Methylcyclopentane	3423943.72	4481509.53	4221157.22
Methylergonovine	11916651.98	2800197.16	6164395.00
Methyl linoleate	29736701.56	32625374.78	19183022.93
Methylmalonic Acid	2884014.42	2877412.37	6449929.53
Methyl nicotinate	31234158.88	44135231.75	70930097.52
Methyl stearate	231188908.62	179815145.13	240370703.60
Methylthiouracil	16447914.98	16047567.81	13656117.50
Metoprolol	104933779.01	98383635.91	73648609.86
Metyrapone	70280976.56	80841585.83	74734986.77
Mexiletine	84944816.88	75871634.43	95368530.06
MG(0:0/19:0/0:0)	35103552.61	36009475.70	35267009.63
MG(16:0/0:0/0:0)	10885894.89	6086111.16	11808912.67
MG(18:0/0:0/0:0)	14137126.27	11973918.74	15409265.18
MG(18:1/0:0/0:0)	7043074.20	4405065.45	10216185.41
MG(18:2/0:0/0:0)	5683237.81	4139556.98	5309845.65
Miltefosine	2574620.51	2707531.93	2711385.52
Minocycline	1644174.83	946999.15	2402803.17
Mirtazapine	67830342.42	50401865.53	63064082.76
Mitoxantrone	5137903.00	5253294.15	31813550.83
Mitraphylline	6877594.87	3963725.29	3543518.50
Monocrotophos	133606275.62	141431857.37	137391684.15
Monoisobutyl phthalate	181067520.56	147742334.83	180901916.47
Morpholine	92279721.50	138965883.64	94426856.77
Moschamine	6045667.39	4122844.51	17036778.21
Muricatocin B	162641609.13	281064719.63	199344959.56
muricin D	7700688.14	6946690.74	6856024.53
Mycolactone E	8603722.21	15029780.67	12899439.43
Mycolactone F	55903508.23	180399333.69	69056321.50
Mycophenolate mofetil	4410960.74	5477101.78	3394419.74
Mycophenolic acid	17770435.91	14044101.55	20479646.10
Myosmine	73416728.36	77347763.96	66975307.32
Myricitrin	6135571.83	6199472.29	5866230.59
Myristoleic acid	294938850.58	316737827.57	329884255.35
Myristoylcarnitine	37357000.06	47920086.15	70611904.68
N-(1,3-Dihydroxyoctadecan-2-YL)-6-[(7-nitro-2,1,3-benzoxadia...	30041689.25	40893368.45	42443610.07
N-(1-Deoxy-1-fructosyl)leucine	6144021.35	5278081.74	44645437.96
N-(2-hydroxyethyl)icosanamide	15746145.73	19642747.42	14999591.10
N-(3-(Aminomethyl)benzyl)acetamidine	12210890.29	12740162.32	15230334.09
N-[4-(3-acetamidopropylamino)butyl]acetamide	32003832.33	15039570.12	76313000.67
N-[(4E,8Z)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamid...	99563603.00	99608683.83	74179528.53
N5-methylglutamine	29942974.09	25528363.86	31241486.00
N-(9Z-octadecenoyl)-sphing-4-enine-1-phosphocholine	49287443.76	51676480.65	62669615.20
Nabumetone	15786537.75	9347898.46	51228540.44
N-Acetylarylamine	57092358.13	57516439.39	70699340.45
N-Acetyl-beta-alanine	156182468.00	134969039.99	139661375.03
N-Acetylcysteine	93528875.42	77067751.36	124761657.16
N-Acetyl-D-lactosamine	12585972.88	10495419.50	10961022.03
N-Acetyl-L-alanine	4799469.47	4170156.89	3648623.97
N-Acetylserotonin	29767606.57	25488475.75	36964001.25
Nadide	118850046.70	107416560.90	115858044.10
Naftidrofuryl	3855264.49	1889131.75	1695708.05
Naled	4283429.40	6463068.50	3347268.72
Nandrolone decanoate	18589005.03	16791417.73	16867867.87
Nantenine	2070257.87	1561685.33	2615644.12
Naphazoline	84264932.36	148347667.88	171884906.52
Navenone B	1842092.72	1490072.97	3521351.83
N-Desmethyl tapentadol	17995264.97	13791787.34	33860509.24
N-Desmethylzopiclone	990404.54	884768.86	6119283.18
Neocasomorphin(1-5)	7693500.47	6682496.40	10605382.71
Neopine	13200256.29	9229654.28	19763854.47
Nepafenac	8974179.93	9216155.83	17813698.47
N-Ethylacetamide	113722970.87	226298743.87	147692471.72
N-Hydroxy-L-asparagine	51123114.58	63739588.51	131762346.47
N-(Hydroxymethyl)acrylamide	155264422.86	204348116.38	72937992.97
Niacinamide	409338271.42	453944670.88	1108766756.07
(+)-Nicotine	74845837.61	73569645.45	66156708.79
Nicotine	88023181.17	73343856.91	93447922.66
Nipecotic acid	11784329.30	13918242.35	7136702.64
Nitrofurantoin	25164262.35	19615822.45	30133745.11
Nitrofurazone	70885080.57	84327130.53	115753385.29
Nivalenol	5918161.35	7221690.04	55616070.96
Nizatidine	2941842.53	2123292.97	18065080.63
N-Methylbenzylamine	50350350.50	43103900.68	157337028.00
N-Methylhydantoin	45086369.20	44422117.41	57829696.97
N-methyl-L-glutamic Acid	110697559.41	74121510.45	151204109.11
N-Methylputrescine	102221994.29	91362623.34	132263320.29
N-nitrosodimethylamine	166159190.85	132955779.01	78642829.52
N-Nitroso-pyrrolidine	156919547.40	228191172.40	298133782.63
N,N,N-Trimethyl-Histidine	8971504.23	10225386.51	11639335.36
N-Nonanoylglycine	16739820.61	11032071.37	13492000.68
Noladin ether	24368616.45	17585546.12	22366210.07
N-oleoylglycine	27257746.83	22541455.87	44314515.27
Nonadecanoic acid, 1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy...	2406718.07	5861261.43	3331404.77
Nonoxynol-9	11778434.68	9431412.40	45753685.77
Nootkatone	42272589.15	39732080.18	43303137.63
Nopol	2133963.37	2177670.19	2687480.16
Norambreinolide	22399937.73	26043131.69	23336756.64
Norethindrone	3035306.65	2765255.24	8822959.49
Norfludiazepam	50086033.68	55733071.41	49562397.51
Normetanephrine	170117924.77	173872666.50	328530055.10
Nortriptyline	3500426.39	8589943.23	10440169.25
Novaluron	1196611144.67	1277814589.67	1014995909.22
N-Palmitoyldihydrosphingomyelin	6974469.11	17517588.39	10665178.50
N-Phenylacetylphenylalanine	2966429.60	3120167.61	3045998.40
N-retinylidene-N-retinylethanolamine	771522.08	958919.05	935112.16
N-trans-Feruloyloctopamine	902127.56	680575.08	3380584.17
N-tridecanoylglycine	18565808.81	14813037.22	15734901.11
Obacunone	34109747.23	58620889.37	44456302.81
Octadecanamide	30093389.05	27201038.22	21325113.26
Octadecylamine	571932235.50	824618980.64	436935067.38
Octahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one	10599870.72	15062212.66	14198188.48
Octanal	24233149.34	15303561.65	29224324.93
Octopamine	105350331.56	96918570.14	96329515.76
Oleoyl tyrosine	6620261.46	5625738.36	9081473.39
O-Methylisourea	95032096.12	135504797.11	162618329.12
Ornithine	5409385.92	3881002.77	27039132.77
Osthole	10889833.74	8319008.32	10753498.60
O-Toluidine	20560781.24	22705669.84	26401466.30
O-ureido-D-serine	5868115.15	8365187.72	1813080.83
Oxiglutatione	49119375.22	46986918.31	49076797.74
Oxoamide	494440824.07	536685398.88	462204555.83
o-Xylene	64224637.56	104648188.46	144539177.83
Oxyphencyclimine	2288209.56	1428356.48	3447148.26
Oxyphenonium	170578383.57	164761755.22	163854716.67
PA(20:3(5Z,8Z,11Z)/24:0)	199733420.68	200124725.38	185363032.22
PA(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	10918147.08	25949605.65	14173859.60
PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	12294426.17	33169973.85	15862725.66
Palmitic amide	61956196.67	59744312.74	42813284.59
Palmitoylcarnitine	25664647.29	29503259.44	64369113.13
Pantothenic acid	2295182141.83	1684950744.00	2192580886.88
PA(P-16:0/18:2(9Z,12Z))	100264861.77	172884867.78	126151750.08
Papaverine	9899489.91	6958820.71	17477500.88
Paraxanthine	639976234.48	646695023.63	607753848.17
Parecoxib	186904.51	389996.13	135854.24
Paullinic acid	33071763.97	41245199.86	33135107.41
PAz-PC	19387994.23	29504209.59	23411082.60
PC(14:0/20:4(5Z,8Z,11Z,14Z))	6791559.09	40917033.66	5354955.58
PC(15:0/20:4(5Z,8Z,11Z,14Z))	52985276.61	33827250.85	42870287.71
PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	5139175.79	8027991.80	6713534.88
PC(8:0/8:0)	25747017.47	17243901.36	91185894.06
PC(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z))	33936004.57	47825558.26	22074029.00
PC(O-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	4647703.77	6155169.35	7474197.27
p-Coumaroylagmatine	28620844.40	21248307.77	29535288.93
p-Coumaroyltyramine	7962571.22	9878443.43	8655491.99
PC(P-18:0/20:4(5Z,8Z,11Z,14Z))	145238313.20	175302227.53	153827909.42
Pectolinarigenin	21343245.79	21648117.97	23285905.38
Pefloxacin	79084785.14	62969964.26	100946038.30
Pelargonic acid	21201486.73	19787308.65	21042158.35
(+)-Penbutolol	1893174054.33	1881645481.50	1863112676.17
Penicilloic acid	1167972.85	1226794.99	5519657.80
PE-NMe(18:1(9Z)/18:1(9Z))	59364796.70	73949616.40	61390066.97
PE-NMe2(16:0/16:0)	3013455.40	6840373.35	4086022.27
Pentadecylamine	12873047.60	16833430.86	19990733.78
Pentamidine	6529146.84	5544822.87	17291075.68
Pentostatin	15873539.89	17398795.02	20143138.12
PE(P-16:0/18:2(9Z,12Z))	1783432.60	3413268.77	2563536.87
PE(P-18:0/18:4(6Z,9Z,12Z,15Z))	10107509.55	9712604.51	7258417.68
Pergolide	1618417.33	1004915.66	2808363.16
Perillartine	21374102.51	12646125.87	22710366.61
Perindopril	3295505.19	3042055.48	2537101.08
Perindopril erbumine	2924159.41	3531646.90	6962771.12
PG(a-13:0/18:2(9Z,11Z))	5301944.15	7853207.50	52954124.05
Phenethylamine	82254994.82	78151204.91	203590727.59
Phenformin	27389562.63	23759247.55	21821863.97
Pheniramine	3628359.06	4313806.60	6408712.53
Phenol	116267521.02	113081160.40	147047688.57
Phenylalanylphenylalanine	23009559.49	19106477.88	24200907.99
Phenylalanyltyrosine	2030420.11	1815880.82	19741960.05
Phe-Pro	56971453.54	70455914.80	91361280.99
Phlorizin	16885961.86	17354792.93	17751592.64
Phosphocholine	215641165.40	249646268.78	189942116.83
p-Hydroxybenzalacetone	18646612.04	11602773.18	19115083.79
p-Hydroxyphenylacetothiohydroximate	1385217.66	2279272.53	817073.11
Phytol	235396277.69	281489476.80	173045744.41
Phytosphingosine	3477708161.33	3360861390.67	3898583392.00
Picolinamide	124823935.02	286171871.00	137745335.42
Pipecolic acid	17155335.04	16355822.22	53668972.99
Piperazine	59984248.38	50037718.62	143101042.60
Piperidine	2684404089.00	2133319907.33	5797571509.83
Piperidine acid	32320293.63	10270819.15	11064713.41
Piperine	50487148.23	33386244.98	69725476.19
Piperitone	51720989.77	57292362.84	58954912.41
Piperonyl sulfoxide	6611217.73	2472350.18	7996859.80
Pirimicarb	121392031.57	114548519.34	118553102.86
Platydesminium	6037128.72	3076037.41	3369373.53
Poloxamer-188	438569722.77	384315351.72	408258235.57
Polyethylene, oxidized	3637821.96	4829680.58	7404737.71
Polygodial	667689884.55	473175164.22	833388120.37
Polytuftsin	5147172.21	7287108.75	3802509.65
Pranlukast	191342.98	186070.83	3883571.24
Praziquantel	3093878.96	2099397.50	6073041.83
Prednisolone tebutate	18245050.54	19084785.19	21787893.37
Pregabalin	24649758.66	25828361.32	22481504.36
Pregnanediol	8031516.67	6746749.26	12344447.81
Prima-1	44415903.36	46982924.13	54013792.58
Pristanic acid	10108899.39	10463653.69	20289122.74
Procarbazine	38258986.23	37657575.22	38138788.18
Prolyl-Histidine	23347306.23	33962366.85	42992578.42
Prolyltryptophan	19001612.62	17171766.57	26333524.18
Propyzamide	58461674.11	70719503.86	91434065.56
Prostaglandin D1	28992518.30	34749015.65	43202161.81
Pro-Thr	4041638.17	1967117.74	6475937.11
Protopine	70977831.78	87578686.80	398446957.44
PS(18:0/20:4)	4543813.76	7764064.47	5989926.22
Pseudoephedrine	109576414.10	127902681.90	101586121.96
psi-Pelletierine	10341494.47	11623970.00	14353350.13
Psoralen	970998797.98	784255218.92	880675042.93
p-Synephrine	201269189.63	217032220.23	176662764.17
P-Toluenesulfonamide	19100015.55	19110436.65	33998300.11
Pulegone	56945811.58	62685203.88	63293176.20
Putrescine	88712272.72	78330792.09	125553747.59
Pyracarbolid	13003814.62	12577489.67	28426075.38
Pyridine	66508431.83	96575543.15	143686859.94
Pyridoxal	12707897.13	13194435.50	28787121.55
Pyrrolidine	48813801.63	24089769.73	49876191.49
Quinaprilat	8090044.22	7224049.67	6904978.14
Quinine	640442.76	963788.02	1362643.75
Quinmerac	5535288.84	5021858.66	5295970.30
Quinoline	49965644.45	21634209.64	28571566.91
Quinone	33516420.66	46109577.66	16257658.47
(R)-3-hydroxybutyrylcarnitine	31093457.84	16644429.91	12011703.22
Ramelteon	10533572.65	7494656.60	8752339.55
Ranitidine	190461973.67	197267355.50	175960092.03
(R)-ar-Turmerone	15370310.73	13657700.83	24331966.74
Reboxetine	133295700.43	108296487.52	208932836.33
Rhapontigenin	54557110.23	45600294.86	78396689.30
Riboflavin	6822736.84	5349836.30	7973260.52
Rimantadine	29349217.15	24207893.75	25331948.75
(R)-Sulcatol	36618012.97	50901163.40	49424319.24
Rubemamine	889495.11	747634.97	6293411.27
Rufloxacin	3235092.47	2605826.12	8462453.36
(S)-(+)-2-Hydroxy-3-methylbutyric acid	23999345.18	19981983.30	22930444.57
(S)-3-Octanol glucoside	2106189.57	3036818.21	2343959.98
S-(5-Adenosy)-L-Homocysteine	12093028.58	10813053.63	20930366.94
S-adenosylmethionine	4722496.70	3489764.85	10727789.22
Salbutamol	72759498.17	48700528.23	50395297.93
Salmeterol	13188977.02	14196249.10	15363142.55
Sarmentosin epoxide	672785.16	957641.94	1000830.34
Sarsasapogenin	1381739.39	3304894.99	5834202.44
Schradan	110763113.47	121256843.00	583616546.03
Scopoletin	74435645.28	61985451.63	77162905.02
Sdccgsbi-0051046.P002	10146588.79	11436546.56	37202182.91
Sebacic acid	259788662.02	262185513.65	285147344.18
Secoisolariciresinol	9440.54	689.91	15436.39
Selegiline	112231626.69	130481767.24	183977253.91
Selenocysteine	2474844.81	1634648.98	5944478.99
Selenomethionine	45570881.04	45881885.31	42244262.93
Serotonin	64196432.56	59457495.25	139653981.43
Sethoxydim	7026821.88	3947629.20	9539285.04
Shikimic Acid	14716545.89	12301235.07	21163915.96
Shogaol	9220259.38	18848802.35	19994357.68
Simeconazole	1417937573.12	1180248484.93	1465626326.53
Sodium polystyrene sulfonate	23985761.81	26601490.34	22516347.12
Solasodine	4083881.14	3940218.96	6300107.39
Sotalol	205313478.79	129451680.25	79261759.06
Spermidic acid	18465931.82	19218137.54	16298784.25
Spermidine	499776336.92	486661512.43	774930128.67
Spermine	62537305.73	43121884.02	108243446.25
Sphinganine	274260616.38	280606936.28	315944670.28
Sphinganine-1-phosphocholine	229908097.31	309336172.10	268981933.39
Spirilloxanthin	84676701.83	113674328.48	83118773.35
Stearoylcarnitine	14272885.26	12871697.26	20853968.16
Stearoylethanolamide	68568642.34	74277981.63	55903059.91
Stigmatellin Y	15874225.59	27765247.70	15407202.21
Sulcotrione	1538856520.17	1645212332.67	1357412952.50
Sulforaphane	24075703.14	46380891.77	20842055.27
Sulindac sulfide	1186224.20	607932.43	4267484.94
Sumiki^s acid	32223365.94	29141011.32	38865033.18
Syringaldehyde	15503208.06	11473595.66	9076000.71
Tagatose	46223340.77	48778748.80	192497602.02
Talwin	19980260.87	22753510.45	12251034.06
Tamoxifen	39088905.45	58321055.74	31790580.98
Tamsulosin	19936497.77	20845575.08	25241322.89
Tangeraxanthin	79765858.17	89368215.51	119546360.51
Tau-fluvalinate	4992591.04	2928251.26	3591349.29
Taurine	34367878.31	44969618.02	27232844.32
Telmisartan	9051773.41	8214365.53	10996791.60
Temozolomide	70977745.58	58571172.77	56758135.09
Terbinafine	99075540.49	109262088.76	122643253.95
Terbufos	141063557.60	146377869.58	150041752.43
Terfenadine	833320.96	1355291.00	1357051.11
Tetradecanal	311324407.03	239147386.10	381026593.78
Tetradecanoylcarnitine	51517194.43	61112627.55	49649481.45
Tetraethylammonium	239707204.48	246118454.28	330436747.23
Tetraethylene glycol	93974758.66	90401812.79	90199336.31
Tetrahydropalmatine	2480152.40	1743981.19	7671925.48
Tetramethylsilane	607274553.90	466084034.01	575828171.12
Tetranor-12(S)-hete	26754049.38	27376307.90	45795373.62
TG(10:0/10:0/10:0)	9071853.74	8548064.36	5716550.30
TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8...	6106543.13	11192904.79	7659039.22
TG(8:0/8:0/8:0)	151150.57	57422.48	377343.40
Thermospermine	2988514.13	2388495.47	4553875.11
Thiamine	96414667.94	65588855.80	174990946.45
Thiethylperazine	4120648.85	1494770.15	3596630.70
Thiodiglycol	152355623.22	104053989.79	177189321.97
Thioetheramide PC	33673349.05	27180954.00	26035466.19
Thiolutin	17963310.55	19372495.33	18404885.36
Thioproperazine	24086711.91	27140027.46	20224503.05
Thymine	133183408.60	140376656.63	96232690.41
Thymoquinone	21207676.98	20673451.13	20979704.19
Tiopronin	8162266.27	21855343.65	14065786.55
Tizanidine hydrochloride	4773959.49	5374012.01	1923458.16
Toluene	8888745.73	9640665.48	7818638.14
Tosyl-L-lysine chloromethyl ketone	6149727.03	11234433.85	17238707.55
trans-2-Octenoic acid	57177205.24	58979115.02	64072370.87
trans-Sulindac	9565334.73	4005932.77	18672275.91
Trans-Zeatin	93321647.43	59395589.76	126792036.01
Trazodone	6628070.67	6273118.01	36001518.53
Tridihexethyl	1677004.59	2441488.48	807141.74
Triethyl citrate	4689500.47	3662987.02	4274167.45
Triethylene glycol monomethyl ether	90298517.30	83370428.62	96582819.69
Triethylenetetramine	168123530.07	122250589.69	253718672.33
TRIETHYL PHOSPHATE	26002407.49	24892829.98	35585623.08
Trileucine	27542458.92	23231819.67	46116010.89
TRIMETAZIDINE	6595071.90	10196305.95	11521798.82
Trimethoprim	1118172.01	658842.34	3448674.00
Trimethylolpropane	5469778.40	5143586.37	3142378.20
Trp-His	7828207.91	6980805.61	13080923.11
Trp-Pro	27093703.22	28094609.11	37511562.85
Trp-Trp	4352294.04	2374231.65	1524452.10
Tsugaric acid A 21-glucosyl ester	12862865.47	12018951.66	97099970.65
Tyramine	482814332.55	512553346.02	1634034910.27
Tyr-Cys	29983546.84	15850334.58	52196120.99
Tyrosine methylester	33414308.34	28805551.04	45782634.93
Tyrosyltyrosine	6328972.11	2404451.85	13000064.42
Tyr-Phe	9499755.10	10487990.74	17668024.39
Tyrphostin 23	50375540.27	29548621.61	25065849.72
Umbelliferone	38954751.58	7723817.53	27496571.36
Uracil	31908109.98	31019665.34	37302801.34
Urate D-ribonucleotide	2450435.14	2110706.92	5401523.02
Ureidosuccinic acid	28353404.68	21406909.68	33511779.55
Ursolic acid	2410235.88	3177330.60	1579331.61
Vaccinoside	18299864.95	17915233.92	15112696.54
Valeryl-4-hydroxyvalsartan	30118993.96	48022886.61	17007583.21
Valsartan	81283512.73	73322536.27	136166676.11
Vanillic acid	75235411.24	69910258.44	76897061.18
VERBENONE	19173786.57	17304728.45	22964199.68
Vincamine	4077507.32	3772688.38	7562441.68
Vitamin E	6449977.21	9694766.61	6937420.42
Vitamin K	3783911.47	5510727.12	4447731.66
Vomifoliol	13284810.60	10418742.40	11564522.08
Voriconazole	237563912.62	240439319.20	289332648.45
xi-3-Methyl-3-cyclohexen-1-ol	6298263.67	5150016.60	4318187.67
xi-5-Dodecanolide	112296325.72	124000354.05	112260229.84
xI-Dihydro-2-methyl-3(2H)-thiophenone	547405638.03	1069415174.07	352824084.89
xi-Dihydro-5-octyl-2(3H)-furanone	18484869.52	15228162.42	19055335.73
Xylazine	10236210.28	15116144.90	15481198.09
Yohimbine	3002718.04	2809854.47	6453765.55
(Z)-7-[(2R)-3,5-dihydroxy-2-[(E)-3-hydroxy-5-phenylpent-1-en...	4479201.12	7130561.87	7334776.52
Zedoarondiol	48798115.21	47922782.03	57726901.97
Zerumbone	3506487.90	2017503.86	3961618.15
β-Alanine	156479624.02	160640527.47	194509581.05
γ-Aminobutyric Acid	15366596.07	19758945.07	13864301.29
δ-Valerolactam	83458878.96	105805524.02	95021635.72

Factors:

F1	Sample source:H9C2 cells \| Genotype:HADHB-K292E
F2	Sample source:H9C2 cells \| Genotype:HADHB-K292R
F3	Sample source:H9C2 cells \| Genotype:Wild-type