Metabolomics Workbench : NIH Data Repository : Analyze Studies

Metabolite structure	F1	F2
10-hydroxy-8E-Decene-2,4,6-triynoic acid	22377.26	26284.68
11-deoxy-PGE2	2122.96	4695.29
12,13-dihydroxy-11-methoxy-9-octadecenoic acid	2582.59	3967.64
12-amino-dodecanoic acid	6224.26	6882.29
1,2-di-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol	1105.44	2428.89
1,2 di-(9Z,12Z,15Z-octadecatrienoyl)-3-O-Beta-D-galactosyl-s...	2324.19	5036.71
13E,17-octadecadienoic acid	20841.96	32327.68
13E,17-octadecadienoic acid + 11.910782	3805.93	2711.14
13E,17-octadecadienoic acid + 12.073682	8969.19	7552.68
13E,17-octadecadienoic acid + 12.292003	2660.37	2801.11
13E,17-octadecadienoic acid + 12.457504	3145.19	2590.04
13(S)-HpOTrE(gamma)	11105.19	12214.89
13S-hydroxy-9E,11Z-octadecadienoic acid	23262.70	17576.71
15-methyl-15S-PGD2	3193.59	5240.79
15-methyl-15S-PGD2 + 10.410704	2595.19	4977.14
15-methyl-15S-PGD2 + 10.565441	1700.96	3410.86
15(R)-HEDE	4933.00	3508.57
1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(7Z,10Z,13Z,16Z,19Z-doc...	7714.74	13236.96
16,16-dimethyl-PGF2beta	7253.26	15140.82
16a-Hydroxydydrogesterone glucoronide	5419.33	7440.82
17a-Hydroxyprogesterone	7400.96	5810.93
17alpha-hydroxypregnenolone	953.48	1920.61
(17Z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-h...	25769.22	39953.14
18-Hydroxycorticosterone	37195.26	43916.07
18-oxo-nonadecanoic acid	5748.37	7656.32
18-oxo-nonadecanoic acid + 13.657046	15584.52	26417.86
1,9Z,16-heptadecatrien-4,6-diyn-3,8-diol	8061.15	15342.11
1a,1b-dihomo-15-deoxy-delta-12,14-PGD2	5687.81	3211.75
1alpha,25-dihydroxy-24-oxovitamin D_3 / 1alpha,25-dihydroxy-...	5099.59	7489.89
1alpha,25-dihydroxy-26,27-dimethyl-24a-homo-22-oxavitamin D3...	81872.78	116813.04
1alpha-hydroxy-21-nor-20-oxavitamin D3 / 1alpha-hydroxy-21-n...	3972.67	4453.89
1alpha-hydroxy-23-[3-(1-hydroxy-1-methylethyl)phenyl]-22,22,...	10872.41	13135.43
1alpha-hydroxy-23-[3-(1-hydroxy-1-methylethyl)phenyl]-22,22,...	9259.26	11694.36
1-Aminocyclohexanecarboxylic acid	1347475.56	1936858.50
1-Aminocyclohexanecarboxylic acid + 1.2353454	61279.11	39716.57
1-Aminocyclopropane-1-carboxylic acid	23059.93	13527.79
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / 1bet...	836.33	2184.96
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / 1bet...	2282.85	6929.21
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / 1bet...	10309.00	18321.89
1-eicosanoyl-rac-glycerol	9511.37	24566.82
1-heneicosanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn...	6567.11	11690.46
1-heptadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycer...	5665.15	8810.79
1-heptadecanoyl-rac-glycerol	4325.59	5794.89
1-hexadecanoyl-sn-glycerol	230087.78	360349.57
1-hexadecanoyl-sn-glycerol + 13.638916	244320.67	339033.75
1-Hexadecylamine	175110.78	131069.71
1-Hexadecylamine + 10.711269	3830.52	5163.46
1-Methyladenosine	4811.33	8082.54
1-methylhistidine	127426.56	154903.32
1-octadecanoyl-rac-glycerol	34209.04	59064.39
1-octadecanoyl-rac-glycerol + 14.688478	388869.07	652883.86
(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid	5817.56	1893.25
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid	10560.30	11884.82
20alpha-Dihydroprednisolone	2503.11	4169.39
20alpha-Dihydroprednisone	2704.52	4429.50
20-oxo-heneicosanoic acid	5876.89	10620.93
20-oxo-heneicosanoic acid + 14.690148	24200.41	39471.86
(23R,25S)-1alpha,25-dihydroxyvitamin D3 26,23-lactone / (23R...	2725.70	7710.75
2,4-Dihydroxybutyric acid	73184.85	59905.07
24-Nor-5beta-cholane-3alpha,7alpha,12alpha,23-tetrol	31957.78	24373.89
24-Nor-5beta-cholane-3alpha,7beta,22,23-tetrol	338311.74	551958.96
25-azavitamin D3 / 25-azacholecalciferol	5340.07	12936.43
25-azavitamin D3 / 25-azacholecalciferol + 12.081983	7897.19	15142.68
2-Amino-2-methyl-1-propanol	21505.37	29799.71
2-Amino-3-methyl-1-butanol	70126.78	73418.96
2-Amino-3-methyl-1-butanol + 10.085568	30033.07	21820.46
2-Amino-3-methyl-1-butanol + 10.351037	61877.74	53239.86
2-Amino-3-methyl-1-butanol + 10.517659	163818.22	197425.43
2-Amino-3-methyl-1-butanol + 10.61672	38654.70	40695.07
2-Amino-3-methyl-1-butanol + 10.7055645	341915.00	205480.79
2-Amino-3-methyl-1-butanol + 10.748854	189342.56	336123.79
2-Amino-3-methyl-1-butanol + 11.012477	110527.19	127129.18
2-Amino-3-methyl-1-butanol + 11.133931	35383.37	57409.96
2-Amino-3-methyl-1-butanol + 11.151311	20554.41	33402.07
2-Amino-3-methyl-1-butanol + 11.254089	372196.56	374867.89
2-Amino-3-methyl-1-butanol + 11.316804	207079.44	195807.71
2-Amino-3-methyl-1-butanol + 11.528235	327648.81	418939.18
2-Amino-3-methyl-1-butanol + 12.160485	33557.63	36920.96
2-Amino-3-methyl-1-butanol + 12.509543	275694.74	267241.93
2-Amino-3-methyl-1-butanol + 8.130119	9899.74	10333.96
2-amino-tetradecanoic acid	16566.70	12093.82
2-decylenic acid	50976.93	52780.43
2-Deoxyglucose	5694.30	1.00
2-Deoxyglucose + 1.0106846	50675.41	2984.71
2E,4Z-hexadecadienoic acid	4028.00	2336.00
2E,4Z-hexadecadienoic acid + 10.974914	3327.11	1665.54
2E,4Z-hexadecadienoic acid + 11.287469	1937.59	1270.57
2-Hydroxyadipic acid	5344.96	83158.46
2-ISOPROPYL-3-METHOXYCINNAMIC ACID	6318.26	8224.57
2-propyl-tridecanoic acid	2078.59	3141.50
2R-aminohexadecanoic acid	12782.11	14845.00
3,3,45-Tetrahydroxystilbene	5367.70	5896.64
3,4-dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione	19119.22	31125.96
3,4-Dihydroxybutyric acid	63000.19	94918.96
3,6,8-dodecatrien-1-ol	5547.52	12411.68
3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oi...	282796.11	252072.57
3-Amino-3-(4-hydroxyphenyl)propanoate	10831.89	19044.96
3-Amino-3-(4-hydroxyphenyl)propanoate + 1.7813773	36432.30	19809.39
3-Aminopropanal	13361.93	11796.50
3-(a-Naphthoxy)lactic acid glucuronide	16615.81	34478.39
3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid	5656.56	8225.46
3E,13Z-octadecadien-1-ol	1481.85	3260.68
3E,13Z-octadecadien-1-ol + 14.688305	31638.78	53096.68
3E,5E-tridecadienoic acid	2893.96	7857.86
3-Guanidinopropionic acid	326107.78	331504.61
3-Hydroxy-4-methoxyphenylacetic acid	10485.59	12224.07
3-keto palmitic acid	2423.78	1441.57
3-keto palmitic acid + 11.555159	4351.00	2995.04
3-methyl valeric acid	45107.41	38597.00
3-n-decyl acrylic acid	1515.33	2828.75
3-O-Methyldobutamine	16357.59	28660.46
3-O-Methyldobutamine + 9.71352	10002.30	15444.04
3-O-Sulfogalactosylceramide	2536.48	4909.00
3-Oxochola-1,4,6-trien-24-oic Acid	9944.63	17773.82
4,8,12,15,19,21-tetracosahexaenoic acid	3957.22	5500.00
4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinazoline	2108.93	4262.50
4-Chloro-N1-methyl-N1-(4-carboxy-2-hydroxy-2-methylbutyl)-m-...	61304.04	40420.43
4-Oxo-4-(3-pyridyl)-butanoic acid	15841.30	5805.29
5,11,14,17-Eicosatetraenoic acid	5537.74	11886.43
5-(3,4-Dihydroxy-1,5-cyclohexadien-1-yl)-5-phenylhydantoin	2724.44	6981.32
5-methyl-tetradecanedioic acid	19538.15	24438.54
6alpha-Hydroxycastasterone	2360.19	5306.82
6-Formylindolo [3,2-B] carbazole	45153.93	40598.71
(6RS)-22-oxo-23,24,25,26,27-pentanorvitamin D3 6,19-sulfur d...	15706.07	4520.43
6Z,9Z-hexadecadienoic acid	4349.63	1904.39
7,8-Diaminononanoate	5874.89	7652.79
7,8-Diaminononanoate + 0.84967834	13810.74	26987.25
8-Amino Caprylic acid	288630.22	319902.39
8-hydroxy-17-octadecene-10,12-diynoic acid	3434.52	3368.18
8R-hydroxy-9Z-octadecenoic acid	7378.11	6070.68
9,13-dihydroxy-11-octadecenoic acid	53143.44	57585.46
9-lauroleic acid	10863.37	7500.00
ABSCISIC ACID (cis,trans)	2641.56	3446.04
ACECLIDINE	3881.67	6964.11
Acetoin	35080.48	48384.93
Acetoin + 3.5543795	25744.44	32419.18
Ala Phe Phe	10257.48	9674.32
Ala Trp Arg	179990.33	295510.89
Allotetrahydrocortisol	2456.33	4577.29
alpha-Phenylcyclohexylglycolic acid	6273.15	8217.36
Anandamide (18:3, n-6)	23790.04	53540.18
Anandamide (18:3, n-6) + 12.584168	42038.33	67056.18
Anandamide (18:3, n-6) + 13.313286	9738.52	13127.89
Arachidonyl lysolecithin	89015.63	112075.50
Arachidonyl lysolecithin + 10.70548	739907.67	1403620.32
Arginine	279834.85	375299.68
Arg Phe Arg	4167.37	8130.04
Arg Phe Arg + 10.675178	58038.44	111968.54
Arg Val Trp	1052.85	1656.14
Asymmetric dimethylarginine	96972.19	107992.29
Avermectin A2a	656.07	1260.64
avobenzone	9396.59	12479.43
Beclomethasone	5418.30	8786.89
Benserazide	36454.67	36660.32
BENZYLBUTYLPHTHALATE	21566.74	16871.43
Bilirubin	7128.67	19731.75
Bilirubin + 14.756282	603897.41	856662.29
Biliverdin IX	8655.96	9393.18
Bis (2-hydroxypropyl) amine	31052.04	56050.46
Buprenorphine	155921.15	176491.96
Caffeine	274379.70	271125.04
Cerebroside C	10003.81	21549.14
CEVADINE	2092.07	1395.25
Cholylglycine	4284.96	6966.93
Cinnamic acid	24277.15	26259.64
cis-11-Hexadecenal	24895.41	39218.29
cis-3-(6-Hydroxy-7-methoxy-5-benzofuranyl)acrylic acid glucu...	5197.07	2759.18
Creatinine	5927840.26	5336476.04
Creatinine + 0.9782891	569867.33	603444.79
cyclandelate	9727.74	11643.43
cyclandelate + 10.333184	2953.85	5993.93
cyclandelate + 11.35672	15743.81	19599.96
Cyclohexanone, 4-[1-hydroxy-1-phenyl-3-(1-pyrrolidinyl)propy...	1074.67	1117.25
cyclohexylammonium	20766.70	25969.61
cyclohexylammonium + 4.089639	28172.15	31925.61
Cys Ala Gly	6421.56	6801.50
Cys Cys	22531.93	42174.64
Cys Pro Ile	47222.00	42452.86
Desethylchloroquine	10955.63	5250.96
D-Glucose	16714.59	51115.79
Didrovaltratum	4410.67	1701.75
DIHYDROFISSINOLIDE	4662.00	6248.46
Dihydrosphingosine	9823.67	6634.00
Disulfiram	77796.52	116511.21
DL-Ornithine	16942.52	20105.04
D-Lysine	15447.41	19718.82
dodecanamide	3817.70	6897.54
dodecanamide + 10.644595	23618.78	26921.32
Doxapram	48503.00	54079.07
D-Proline	642900.81	803935.46
(E)-2-Methylglutaconic acid	78868.81	292649.04
Ecgonine	86517.96	84078.93
Embelin	10825.70	9697.50
Embelin + 11.928356	16635.04	16878.93
epsilon-Caprolactam	546982.00	525307.18
Estradiol	3805.30	3432.54
ESTRADIOL CYPIONATE	14068.00	24904.18
Estrone sulfate	2940.59	191.86
ethotoin	326451.15	310576.39
Fexofenadine	4409.59	5821.21
Fexofenadine + 10.656503	38321.00	51545.64
Fexofenadine + 11.475676	1704.67	3160.96
Gemeprost	1580.26	3736.54
Gemeprost + 11.412178	2737.15	6895.64
Gemeprost + 11.486941	11671.74	17115.29
Gemeprost + 11.5606575	3482.19	4254.00
Gemeprost + 11.649413	5221.74	7607.07
Gemeprost + 11.766222	6349.33	11342.89
Gemeprost + 11.914792	11638.93	16862.64
Gemeprost + 11.990591	4577.81	4165.79
Gemeprost + 12.058225	2097.41	3610.18
Gln Pro Lys	2435.52	3465.57
Glucosamine	76308.00	162782.46
Glu Tyr Thr	2916.41	3480.82
Gly Ala	152596.00	182268.82
Glycodeoxycholate	8068.93	17984.07
Gly Val His	1351.11	4427.36
GPA(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	152521.07	64693.36
GPEtn(16:0/0:0)	15119.15	18521.21
GPEtn(18:0/0:0)	59834.30	75352.18
GPEtn(18:1(9Z)/0:0)	20976.22	39442.04
GPEtn(18:1(9Z)/18:1(9Z))[U]	69817.63	63524.46
GPEtnNMe(18:1(9Z)/18:1(9Z))[U]	70873.78	31141.64
GPEtnNMe(18:1(9Z)/18:1(9Z))[U] + 14.125486	374833.11	796599.93
GPGro(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	170820.56	324159.79
GPGro(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) + 11.268117	1847.19	4001.82
GPIns(16:0/16:0)	23233.74	30195.36
GPIns(16:0/16:0) + 13.551874	11486.63	17658.43
GPIns(16:0/16:0) + 14.135602	91483.63	63247.79
GPIns(16:0/18:1(9Z))	34873.81	31720.25
GPIns(16:0/18:1(9Z)) + 12.047834	7698.07	7666.18
GPIns(16:0/18:1(9Z)) + 14.137217	10526.93	19070.79
GPIns(16:0/18:1(9Z)) + 14.414539	8576.26	14883.54
GPSer(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	7411.63	11472.21
His Cys Met	11450.07	16504.57
His Gly Gly	1224.11	2311.25
His Thr Ala	10705.15	606.32
Histidine	85274.11	83569.36
His Trp Gly	3162.85	1.00
His Val Arg	2630.30	4024.29
Homoarginine	8203.70	9873.11
Hydroxyhydroquinone	8704.48	57807.54
Hypoxanthine	14033.04	23371.93
Ile Pro	23944.37	40432.54
Indoleacrylic acid	253534.89	265578.68
Indoleacrylic acid + 4.0787907	40243.63	44588.86
isoamyl nitrite	277883.93	561080.57
isoamyl nitrite + 1.1783686	124695.00	148647.82
Isobutylglycine	12047.30	9304.14
Isobutylglycine + 4.0776467	40356.63	40513.64
Isoleucine	178938.44	173867.68
Isoleucine + 2.3072839	433249.85	477044.11
ISOPIMPINELLIN	3903.74	10870.54
ISOSAFROLE	2583.85	2985.89
ISOSAFROLE + 11.335749	2678.22	3770.07
Ivermectin B1a	180546.33	31880.89
Ivermectin B1a + 11.394018	114508.67	40116.21
Ivermectin B1b	1238.15	2379.89
Lactic acid	2858.70	27600.14
L-Alaninol	1030038.41	1017849.79
Lecanoric acid	1419.89	3518.82
Leucine	94497.30	146060.43
Leupeptin	5926.30	11652.43
Leu Pro Pro	55720.74	46141.32
Leu Pro Pro + 9.409358	4632.63	5519.32
LEVULINIC ACID, 3-BENZYLIDENYL-	11286.89	16903.43
LEVULINIC ACID, 3-BENZYLIDENYL- + 11.726488	44376.78	52092.61
L-Glutamic acid dibutyl ester	30091.26	25804.57
L-Glutamic acid n-butyl ester	1083643.11	1392804.46
L-Glutamic acid n-butyl ester + 1.5098839	622717.41	376791.82
Linoleamide	12309.78	24592.50
Linolenoyl lysolecithin	33608.07	54905.68
Linolenoyl lysolecithin + 11.245934	785220.30	950266.50
Lithocholic acid glycine conjugate	4515.15	4906.89
Lithocholic acid glycine conjugate + 13.876054	3627.15	2682.64
LTB4 ethanol amide	4827.30	9347.25
LTB4 ethanol amide + 13.095308	5748.93	9112.54
Lys Asn Pro	11035.11	11244.54
Lys Asp Trp	3150.70	6028.57
Lys Gln Ile	112749.37	109890.39
Lys Lys Lys	24131.70	20138.00
Meradimate	149107.11	178376.07
Meradimate + 9.542891	9985.85	14607.79
Meradimate + 9.780986	10287.37	16999.93
METHOPRENE (S)	4424.11	2244.00
methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate	15341.89	13297.18
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-oc...	12765.11	10112.93
Met Lys His	115364.56	172112.46
Met Lys His + 9.989336	7472.11	24731.39
Met Thr Gly	7852.22	13357.36
Mifepristone (RU 486)	7724.81	5568.07
myo-Inositol	1183880.19	2910561.18
(-)N-(1R-methyl-propyl) arachidonoyl amine	177939.96	167453.82
N-(2-hydroxyethyl)palmitamide	2918.37	4559.36
N-(2-hydroxyethyl)palmitamide + 10.900234	3484.85	6450.96
N-(2-hydroxyethyl)palmitamide + 11.029883	2497.30	5292.00
N-(2-hydroxyethyl)palmitamide + 11.126383	6506.93	10919.46
N-(2-hydroxyethyl)palmitamide + 11.2943125	5173.70	10621.96
N-(2-hydroxyethyl)palmitamide + 12.8659935	48557.26	65863.39
N-(2-hydroxyethyl)palmitamide + 14.25288	32864.67	45818.21
N-AcetylCilastatin	27279.52	28917.46
Nadolol	11052.41	24187.14
Nadolol + 6.797542	50051.11	59536.39
N-arachidonoyl D-serine	1187.00	285.04
N-Desethyloxybutynin	63133.26	106391.71
Netilmicin	64427.85	51435.68
N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine	29965.74	53148.04
N-Hexadecyl-L-hydroxyproline	2580.59	5191.57
N-Hexadecyl-L-hydroxyproline + 14.517754	13825.04	25690.96
N-HISTIDYL-2-AMINONAPHTHALENE (betaNA)	4033.52	7704.04
N-Methyl-2-pyridone-5-carboxamide (Nudifloramide)	32322.04	25316.04
N-Methyl-2-pyridone-5-carboxamide (Nudifloramide) + 2.798034...	85009.44	71995.64
N-METHYLISOLEUCINE	179927.04	174554.39
N,N-(2,2-dihydroxy-ethyl) arachidonoyl amine	72973.11	45664.39
N,N-dimethylsphing-4-enine	17495.04	8175.11
N-oleoylethanolamine	9706.15	7020.43
n-Pentadecylamine	19597.78	34076.82
octadecanamide	9990.89	11749.96
Octadecanedioic acid	36782.07	31464.75
Octocrylene	2942.19	4732.11
OLEANANOIC ACID ACETATE	1023.44	1778.50
Oleandomycin	56813.52	15429.71
OLEANDOMYCIN	37577.11	20258.04
Oleoyl amine	5686.00	11136.68
Oleoyl amine + 11.019689	5503.85	10625.21
Oleoyl amine + 11.148188	13860.81	26634.18
Oleoyl amine + 11.303992	17099.85	29119.75
Oleoyl amine + 11.436401	6234.81	12951.39
Oleoyl amine + 12.276432	8359.81	27549.75
Oleoyl amine + 12.400412	15138.81	27003.75
Oleoyl amine + 13.464861	23471.30	29663.79
Oxalosuccinic acid	4895.37	3602.82
OXYQUINOLINE	10274.78	6291.36
OXYQUINOLINE + 5.7667704	11935.52	10742.00
Pantetheine	1506.74	1926.04
Pantothenic Acid	3314.85	3463.46
p-Coumaric acid	8889.30	15245.86
Penbutolol	6178.19	4605.89
pentan-3-one	2030560.30	2275982.18
Pentazocine trans acid	3233.63	3781.25
Pentoxifylline	8350.04	3868.25
PEUCENIN	7383.41	5741.29
PEUCENIN + 7.903765	18077.70	20454.00
PGE1 alcohol	5775.44	4006.57
PGF2alpha isopropyl ester	4641.70	6471.54
PGF2alpha isopropyl ester + 11.351006	3336.93	4931.21
PGF2alpha isopropyl ester + 11.451276	2562.19	3828.00
PGF2alpha isopropyl ester + 11.698368	6523.19	6319.79
Phenoperidine	20843.26	12945.32
Phensuximide	8346.70	7679.39
Phenylalanine	389572.63	361136.25
Phenytoin-N-glucuronide	5666.93	5588.18
Phthalic acid Mono-2-ethylhexyl Ester	31687.63	34819.61
Phthalic acid Mono-2-ethylhexyl Ester + 11.67471	60597.81	69056.61
Phthalic acid Mono-2-ethylhexyl Ester + 11.737526	126574.44	140109.96
Phthalic acid Mono-2-ethylhexyl Ester + 11.739214	85234.07	89847.61
p-HYDROXYCINNAMALDEHYDE	5084.63	9105.29
Pinacidil	32115.41	33380.86
Pinacidil + 4.3858333	86744.48	95173.82
Pinacidil + 4.4855013	2920.41	2420.64
Pinacidil-N-Oxide	8247.93	8983.50
Pindolol	8591.96	4238.75
PIPERINE	50527.26	81998.61
PIPERINE + 9.30038	8838.70	14601.96
PIPERINE + 9.393668	26674.22	42882.93
PRACTOLOL	18316.63	15625.50
PRACTOLOL + 10.951184	14007.30	10930.64
Procyclidine	12128.33	22135.86
Pro His	3935.00	2649.54
Pro His His	4371.89	5052.93
Proline	20986.26	6143.36
Pro Pro Phe	1797.07	1874.14
Purine	808648.26	1293013.57
Purine + 0.8628673	436876.48	555618.43
Pyrroline hydroxycarboxylic acid	291448.67	361388.71
RETUSOQUINONE	7163.70	10263.39
RETUSOQUINONE + 11.358456	12403.30	15667.89
Ritodrine glucuronide 2	5618.89	4942.29
SAPINDOSIDE A	2121.04	4303.75
Ser Asp Asp	3872.30	8069.79
Ser Ser Arg	2547.33	2537.25
Ser Ser Arg + 10.906904	2785.22	4936.36
Stearic acid	2111.81	3853.14
Sulfamethazine	24929.15	37424.07
Sulfaquinoxaline	1575.00	3140.43
Tacrolimus	193458.19	25716.50
TEGASEROD	1901.30	3280.25
Tetradecylamine	15476.41	8214.36
Theophylline	367664.04	206905.36
Theophylline + 3.6554136	117567.04	112505.46
Thioridazine	2670.41	3104.50
Threonate	8876.52	18806.36
Thr Glu	129866.04	96187.75
TIAPRIDE	3182.78	5660.18
TIAPRIDE + 5.395146	2026.19	3950.68
Tranexamic acid	42061.56	31713.46
trans-3-Hydroxycotinine glucuronide	5357.11	6032.50
trans-3-Hydroxycotinine glucuronide + 12.100258	4104.96	3769.11
Triparanol	49886.78	59937.50
Trp Phe	1551.41	1692.43
Tryptophan	132775.74	141803.61
Tyr Thr Cys	3617.41	20646.36
Ubiquinone	6721.04	9815.11
Ubiquinone + 8.070654	3223.96	5768.32
Urea	200457.52	223387.54
Uric acid	147334.70	127917.57
Uridine	15120.11	17070.96
Val Ala	8753.74	8048.18
VALERYL SALYCILATE	6617.19	3235.36
Valine	2392607.81	3651845.43
Valine + 1.1855006	334817.56	384528.50
Val Pro Thr	132473.30	139313.68
Val Val Trp	4044.63	3393.00
Vigabatrin	9959.85	14031.71
Vigabatrin + 1.0069108	67066.41	64883.46
(Z)-N-(2-hydroxyethyl)hexadec-7-enamide	104098.04	153729.89
Zopiclone	12025.22	11519.93

10-hydroxy-8E-Decene-2,4,6-triynoic acid

22377.26

26284.68

11-deoxy-PGE2

2122.96

4695.29

12,13-dihydroxy-11-methoxy-9-octadecenoic acid

2582.59

3967.64

12-amino-dodecanoic acid

6224.26

6882.29

1,2-di-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol

1105.44

2428.89

1,2 di-(9Z,12Z,15Z-octadecatrienoyl)-3-O-Beta-D-galactosyl-s...

2324.19

5036.71

13E,17-octadecadienoic acid

20841.96

32327.68

13E,17-octadecadienoic acid + 11.910782

3805.93

2711.14

13E,17-octadecadienoic acid + 12.073682

8969.19

7552.68

13E,17-octadecadienoic acid + 12.292003

2660.37

2801.11

13E,17-octadecadienoic acid + 12.457504

3145.19

2590.04

13(S)-HpOTrE(gamma)

11105.19

12214.89

13S-hydroxy-9E,11Z-octadecadienoic acid

23262.70

17576.71

15-methyl-15S-PGD2

3193.59

5240.79

15-methyl-15S-PGD2 + 10.410704

2595.19

4977.14

15-methyl-15S-PGD2 + 10.565441

1700.96

3410.86

15(R)-HEDE

4933.00

3508.57

1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(7Z,10Z,13Z,16Z,19Z-doc...

7714.74

13236.96

16,16-dimethyl-PGF2beta

7253.26

15140.82

16a-Hydroxydydrogesterone glucoronide

5419.33

7440.82

17a-Hydroxyprogesterone

7400.96

5810.93

17alpha-hydroxypregnenolone

953.48

1920.61

(17Z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-h...

25769.22

39953.14

18-Hydroxycorticosterone

37195.26

43916.07

18-oxo-nonadecanoic acid

5748.37

7656.32

18-oxo-nonadecanoic acid + 13.657046

15584.52

26417.86

1,9Z,16-heptadecatrien-4,6-diyn-3,8-diol

8061.15

15342.11

1a,1b-dihomo-15-deoxy-delta-12,14-PGD2

5687.81

3211.75

1alpha,25-dihydroxy-24-oxovitamin D_3 / 1alpha,25-dihydroxy-...

5099.59

7489.89

1alpha,25-dihydroxy-26,27-dimethyl-24a-homo-22-oxavitamin D3...

81872.78

116813.04

1alpha-hydroxy-21-nor-20-oxavitamin D3 / 1alpha-hydroxy-21-n...

3972.67

4453.89

1alpha-hydroxy-23-[3-(1-hydroxy-1-methylethyl)phenyl]-22,22,...

10872.41

13135.43

1alpha-hydroxy-23-[3-(1-hydroxy-1-methylethyl)phenyl]-22,22,...

9259.26

11694.36

1-Aminocyclohexanecarboxylic acid

1347475.56

1936858.50

1-Aminocyclohexanecarboxylic acid + 1.2353454

61279.11

39716.57

1-Aminocyclopropane-1-carboxylic acid

23059.93

13527.79

1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / 1bet...

836.33

2184.96

1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / 1bet...

2282.85

6929.21

1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / 1bet...

10309.00

18321.89

1-eicosanoyl-rac-glycerol

9511.37

24566.82

1-heneicosanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn...

6567.11

11690.46

1-heptadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycer...

5665.15

8810.79

1-heptadecanoyl-rac-glycerol

4325.59

5794.89

1-hexadecanoyl-sn-glycerol

230087.78

360349.57

1-hexadecanoyl-sn-glycerol + 13.638916

244320.67

339033.75

1-Hexadecylamine

175110.78

131069.71

1-Hexadecylamine + 10.711269

3830.52

5163.46

1-Methyladenosine

4811.33

8082.54

1-methylhistidine

127426.56

154903.32

1-octadecanoyl-rac-glycerol

34209.04

59064.39

1-octadecanoyl-rac-glycerol + 14.688478

388869.07

652883.86

(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid

5817.56

1893.25

(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid

10560.30

11884.82

20alpha-Dihydroprednisolone

2503.11

4169.39

20alpha-Dihydroprednisone

2704.52

4429.50

20-oxo-heneicosanoic acid

5876.89

10620.93

20-oxo-heneicosanoic acid + 14.690148

24200.41

39471.86

(23R,25S)-1alpha,25-dihydroxyvitamin D3 26,23-lactone / (23R...

2725.70

7710.75

2,4-Dihydroxybutyric acid

73184.85

59905.07

24-Nor-5beta-cholane-3alpha,7alpha,12alpha,23-tetrol

31957.78

24373.89

24-Nor-5beta-cholane-3alpha,7beta,22,23-tetrol

338311.74

551958.96

25-azavitamin D3 / 25-azacholecalciferol

5340.07

12936.43

25-azavitamin D3 / 25-azacholecalciferol + 12.081983

7897.19

15142.68

2-Amino-2-methyl-1-propanol

21505.37

29799.71

2-Amino-3-methyl-1-butanol

70126.78

73418.96

2-Amino-3-methyl-1-butanol + 10.085568

30033.07

21820.46

2-Amino-3-methyl-1-butanol + 10.351037

61877.74

53239.86

2-Amino-3-methyl-1-butanol + 10.517659

163818.22

197425.43

2-Amino-3-methyl-1-butanol + 10.61672

38654.70

40695.07

2-Amino-3-methyl-1-butanol + 10.7055645

341915.00

205480.79

2-Amino-3-methyl-1-butanol + 10.748854

189342.56

336123.79

2-Amino-3-methyl-1-butanol + 11.012477

110527.19

127129.18

2-Amino-3-methyl-1-butanol + 11.133931

35383.37

57409.96

2-Amino-3-methyl-1-butanol + 11.151311

20554.41

33402.07

2-Amino-3-methyl-1-butanol + 11.254089

372196.56

374867.89

2-Amino-3-methyl-1-butanol + 11.316804

207079.44

195807.71

2-Amino-3-methyl-1-butanol + 11.528235

327648.81

418939.18

2-Amino-3-methyl-1-butanol + 12.160485

33557.63

36920.96

2-Amino-3-methyl-1-butanol + 12.509543

275694.74

267241.93

2-Amino-3-methyl-1-butanol + 8.130119

9899.74

10333.96

2-amino-tetradecanoic acid

16566.70

12093.82

2-decylenic acid

50976.93

52780.43

2-Deoxyglucose

5694.30

1.00

2-Deoxyglucose + 1.0106846

50675.41

2984.71

2E,4Z-hexadecadienoic acid

4028.00

2336.00

2E,4Z-hexadecadienoic acid + 10.974914

3327.11

1665.54

2E,4Z-hexadecadienoic acid + 11.287469

1937.59

1270.57

2-Hydroxyadipic acid

5344.96

83158.46

2-ISOPROPYL-3-METHOXYCINNAMIC ACID

6318.26

8224.57

2-propyl-tridecanoic acid

2078.59

3141.50

2R-aminohexadecanoic acid

12782.11

14845.00

3,3,45-Tetrahydroxystilbene

5367.70

5896.64

3,4-dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione

19119.22

31125.96

3,4-Dihydroxybutyric acid

63000.19

94918.96

3,6,8-dodecatrien-1-ol

5547.52

12411.68

3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oi...

282796.11

252072.57

3-Amino-3-(4-hydroxyphenyl)propanoate

10831.89

19044.96

3-Amino-3-(4-hydroxyphenyl)propanoate + 1.7813773

36432.30

19809.39

3-Aminopropanal

13361.93

11796.50

3-(a-Naphthoxy)lactic acid glucuronide

16615.81

34478.39

3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid

5656.56

8225.46

3E,13Z-octadecadien-1-ol

1481.85

3260.68

3E,13Z-octadecadien-1-ol + 14.688305

31638.78

53096.68

3E,5E-tridecadienoic acid

2893.96

7857.86

3-Guanidinopropionic acid

326107.78

331504.61

3-Hydroxy-4-methoxyphenylacetic acid

10485.59

12224.07

3-keto palmitic acid

2423.78

1441.57

3-keto palmitic acid + 11.555159

4351.00

2995.04

3-methyl valeric acid

45107.41

38597.00

3-n-decyl acrylic acid

1515.33

2828.75

3-O-Methyldobutamine

16357.59

28660.46

3-O-Methyldobutamine + 9.71352

10002.30

15444.04

3-O-Sulfogalactosylceramide

2536.48

4909.00

3-Oxochola-1,4,6-trien-24-oic Acid

9944.63

17773.82

4,8,12,15,19,21-tetracosahexaenoic acid

3957.22

5500.00

4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinazoline

2108.93

4262.50

4-Chloro-N1-methyl-N1-(4-carboxy-2-hydroxy-2-methylbutyl)-m-...

61304.04

40420.43

4-Oxo-4-(3-pyridyl)-butanoic acid

15841.30

5805.29

5,11,14,17-Eicosatetraenoic acid

5537.74

11886.43

5-(3,4-Dihydroxy-1,5-cyclohexadien-1-yl)-5-phenylhydantoin

2724.44

6981.32

5-methyl-tetradecanedioic acid

19538.15

24438.54

6alpha-Hydroxycastasterone

2360.19

5306.82

6-Formylindolo [3,2-B] carbazole

45153.93

40598.71

(6RS)-22-oxo-23,24,25,26,27-pentanorvitamin D3 6,19-sulfur d...

15706.07

4520.43

6Z,9Z-hexadecadienoic acid

4349.63

1904.39

7,8-Diaminononanoate

5874.89

7652.79

7,8-Diaminononanoate + 0.84967834

13810.74

26987.25

8-Amino Caprylic acid

288630.22

319902.39

8-hydroxy-17-octadecene-10,12-diynoic acid

3434.52

3368.18

8R-hydroxy-9Z-octadecenoic acid

7378.11

6070.68

9,13-dihydroxy-11-octadecenoic acid

53143.44

57585.46

9-lauroleic acid

10863.37

7500.00

ABSCISIC ACID (cis,trans)

2641.56

3446.04

ACECLIDINE

3881.67

6964.11

Acetoin

35080.48

48384.93

Acetoin + 3.5543795

25744.44

32419.18

Ala Phe Phe

10257.48

9674.32

Ala Trp Arg

179990.33

295510.89

Allotetrahydrocortisol

2456.33

4577.29

alpha-Phenylcyclohexylglycolic acid

6273.15

8217.36

Anandamide (18:3, n-6)

23790.04

53540.18

Anandamide (18:3, n-6) + 12.584168

42038.33

67056.18

Anandamide (18:3, n-6) + 13.313286

9738.52

13127.89

Arachidonyl lysolecithin

89015.63

112075.50

Arachidonyl lysolecithin + 10.70548

739907.67

1403620.32

Arginine

279834.85

375299.68

Arg Phe Arg

4167.37

8130.04

Arg Phe Arg + 10.675178

58038.44

111968.54

Arg Val Trp

1052.85

1656.14

Asymmetric dimethylarginine

96972.19

107992.29

Avermectin A2a

656.07

1260.64

avobenzone

9396.59

12479.43

Beclomethasone

5418.30

8786.89

Benserazide

36454.67

36660.32

BENZYLBUTYLPHTHALATE

21566.74

16871.43

Bilirubin

7128.67

19731.75

Bilirubin + 14.756282

603897.41

856662.29

Biliverdin IX

8655.96

9393.18

Bis (2-hydroxypropyl) amine

31052.04

56050.46

Buprenorphine

155921.15

176491.96

Caffeine

274379.70

271125.04

Cerebroside C

10003.81

21549.14

CEVADINE

2092.07

1395.25

Cholylglycine

4284.96

6966.93

Cinnamic acid

24277.15

26259.64

cis-11-Hexadecenal

24895.41

39218.29

cis-3-(6-Hydroxy-7-methoxy-5-benzofuranyl)acrylic acid glucu...

5197.07

2759.18

Creatinine

5927840.26

5336476.04

Creatinine + 0.9782891

569867.33

603444.79

cyclandelate

9727.74

11643.43

cyclandelate + 10.333184

2953.85

5993.93

cyclandelate + 11.35672

15743.81

19599.96

Cyclohexanone, 4-[1-hydroxy-1-phenyl-3-(1-pyrrolidinyl)propy...

1074.67

1117.25

cyclohexylammonium

20766.70

25969.61

cyclohexylammonium + 4.089639

28172.15

31925.61

Cys Ala Gly

6421.56

6801.50

Cys Cys

22531.93

42174.64

Cys Pro Ile

47222.00

42452.86

Desethylchloroquine

10955.63

5250.96

D-Glucose

16714.59

51115.79

Didrovaltratum

4410.67

1701.75

DIHYDROFISSINOLIDE

4662.00

6248.46

Dihydrosphingosine

9823.67

6634.00

Disulfiram

77796.52

116511.21

DL-Ornithine

16942.52

20105.04

D-Lysine

15447.41

19718.82

dodecanamide

3817.70

6897.54

dodecanamide + 10.644595

23618.78

26921.32

Doxapram

48503.00

54079.07

D-Proline

642900.81

803935.46

(E)-2-Methylglutaconic acid

78868.81

292649.04

Ecgonine

86517.96

84078.93

Embelin

10825.70

9697.50

Embelin + 11.928356

16635.04

16878.93

epsilon-Caprolactam

546982.00

525307.18

Estradiol

3805.30

3432.54

ESTRADIOL CYPIONATE

14068.00

24904.18

Estrone sulfate

2940.59

191.86

ethotoin

326451.15

310576.39

Fexofenadine

4409.59

5821.21

Fexofenadine + 10.656503

38321.00

51545.64

Fexofenadine + 11.475676

1704.67

3160.96

Gemeprost

1580.26

3736.54

Gemeprost + 11.412178

2737.15

6895.64

Gemeprost + 11.486941

11671.74

17115.29

Gemeprost + 11.5606575

3482.19

4254.00

Gemeprost + 11.649413

5221.74

7607.07

Gemeprost + 11.766222

6349.33

11342.89

Gemeprost + 11.914792

11638.93

16862.64

Gemeprost + 11.990591

4577.81

4165.79

Gemeprost + 12.058225

2097.41

3610.18

Gln Pro Lys

2435.52

3465.57

Glucosamine

76308.00

162782.46

Glu Tyr Thr

2916.41

3480.82

Gly Ala

152596.00

182268.82

Glycodeoxycholate

8068.93

17984.07

Gly Val His

1351.11

4427.36

GPA(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

152521.07

64693.36

GPEtn(16:0/0:0)

15119.15

18521.21

GPEtn(18:0/0:0)

59834.30

75352.18

GPEtn(18:1(9Z)/0:0)

20976.22

39442.04

GPEtn(18:1(9Z)/18:1(9Z))[U]

69817.63

63524.46

GPEtnNMe(18:1(9Z)/18:1(9Z))[U]

70873.78

31141.64

GPEtnNMe(18:1(9Z)/18:1(9Z))[U] + 14.125486

374833.11

796599.93

GPGro(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

170820.56

324159.79

GPGro(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) + 11.268117

1847.19

4001.82

GPIns(16:0/16:0)

23233.74

30195.36

GPIns(16:0/16:0) + 13.551874

11486.63

17658.43

GPIns(16:0/16:0) + 14.135602

91483.63

63247.79

GPIns(16:0/18:1(9Z))

34873.81

31720.25

GPIns(16:0/18:1(9Z)) + 12.047834

7698.07

7666.18

GPIns(16:0/18:1(9Z)) + 14.137217

10526.93

19070.79

GPIns(16:0/18:1(9Z)) + 14.414539

8576.26

14883.54

GPSer(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

7411.63

11472.21

His Cys Met

11450.07

16504.57

His Gly Gly

1224.11

2311.25

His Thr Ala

10705.15

606.32

Histidine

85274.11

83569.36

His Trp Gly

3162.85

1.00

His Val Arg

2630.30

4024.29

Homoarginine

8203.70

9873.11

Hydroxyhydroquinone

8704.48

57807.54

Hypoxanthine

14033.04

23371.93

Ile Pro

23944.37

40432.54

Indoleacrylic acid

253534.89

265578.68

Indoleacrylic acid + 4.0787907

40243.63

44588.86

isoamyl nitrite

277883.93

561080.57

isoamyl nitrite + 1.1783686

124695.00

148647.82

Isobutylglycine

12047.30

9304.14

Isobutylglycine + 4.0776467

40356.63

40513.64

Isoleucine

178938.44

173867.68

Isoleucine + 2.3072839

433249.85

477044.11

ISOPIMPINELLIN

3903.74

10870.54

ISOSAFROLE

2583.85

2985.89

ISOSAFROLE + 11.335749

2678.22

3770.07

Ivermectin B1a

180546.33

31880.89

Ivermectin B1a + 11.394018

114508.67

40116.21

Ivermectin B1b

1238.15

2379.89

Lactic acid

2858.70

27600.14

L-Alaninol

1030038.41

1017849.79

Lecanoric acid

1419.89

3518.82

Leucine

94497.30

146060.43

Leupeptin

5926.30

11652.43

Leu Pro Pro

55720.74

46141.32

Leu Pro Pro + 9.409358

4632.63

5519.32

LEVULINIC ACID, 3-BENZYLIDENYL-

11286.89

16903.43

LEVULINIC ACID, 3-BENZYLIDENYL- + 11.726488

44376.78

52092.61

L-Glutamic acid dibutyl ester

30091.26

25804.57

L-Glutamic acid n-butyl ester

1083643.11

1392804.46

L-Glutamic acid n-butyl ester + 1.5098839

622717.41

376791.82

Linoleamide

12309.78

24592.50

Linolenoyl lysolecithin

33608.07

54905.68

Linolenoyl lysolecithin + 11.245934

785220.30

950266.50

Lithocholic acid glycine conjugate

4515.15

4906.89

Lithocholic acid glycine conjugate + 13.876054

3627.15

2682.64

LTB4 ethanol amide

4827.30

9347.25

LTB4 ethanol amide + 13.095308

5748.93

9112.54

Lys Asn Pro

11035.11

11244.54

Lys Asp Trp

3150.70

6028.57

Lys Gln Ile

112749.37

109890.39

Lys Lys Lys

24131.70

20138.00

Meradimate

149107.11

178376.07

Meradimate + 9.542891

9985.85

14607.79

Meradimate + 9.780986

10287.37

16999.93

METHOPRENE (S)

4424.11

2244.00

methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate

15341.89

13297.18

methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-oc...

12765.11

10112.93

Met Lys His

115364.56

172112.46

Met Lys His + 9.989336

7472.11

24731.39

Met Thr Gly

7852.22

13357.36

Mifepristone (RU 486)

7724.81

5568.07

myo-Inositol

1183880.19

2910561.18

(-)N-(1R-methyl-propyl) arachidonoyl amine

177939.96

167453.82

N-(2-hydroxyethyl)palmitamide

2918.37

4559.36

N-(2-hydroxyethyl)palmitamide + 10.900234

3484.85

6450.96

N-(2-hydroxyethyl)palmitamide + 11.029883

2497.30

5292.00

N-(2-hydroxyethyl)palmitamide + 11.126383

6506.93

10919.46

N-(2-hydroxyethyl)palmitamide + 11.2943125

5173.70

10621.96

N-(2-hydroxyethyl)palmitamide + 12.8659935

48557.26

65863.39

N-(2-hydroxyethyl)palmitamide + 14.25288

32864.67

45818.21

N-AcetylCilastatin

27279.52

28917.46

Nadolol

11052.41

24187.14

Nadolol + 6.797542

50051.11

59536.39

N-arachidonoyl D-serine

1187.00

285.04

N-Desethyloxybutynin

63133.26

106391.71

Netilmicin

64427.85

51435.68

N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine

29965.74

53148.04

N-Hexadecyl-L-hydroxyproline

2580.59

5191.57

N-Hexadecyl-L-hydroxyproline + 14.517754

13825.04

25690.96

N-HISTIDYL-2-AMINONAPHTHALENE (betaNA)

4033.52

7704.04

N-Methyl-2-pyridone-5-carboxamide (Nudifloramide)

32322.04

25316.04

N-Methyl-2-pyridone-5-carboxamide (Nudifloramide) + 2.798034...

85009.44

71995.64

N-METHYLISOLEUCINE

179927.04

174554.39

N,N-(2,2-dihydroxy-ethyl) arachidonoyl amine

72973.11

45664.39

N,N-dimethylsphing-4-enine

17495.04

8175.11

N-oleoylethanolamine

9706.15

7020.43

n-Pentadecylamine

19597.78

34076.82

octadecanamide

9990.89

11749.96

Octadecanedioic acid

36782.07

31464.75

Octocrylene

2942.19

4732.11

OLEANANOIC ACID ACETATE

1023.44

1778.50

Oleandomycin

56813.52

15429.71

OLEANDOMYCIN

37577.11

20258.04

Oleoyl amine

5686.00

11136.68

Oleoyl amine + 11.019689

5503.85

10625.21

Oleoyl amine + 11.148188

13860.81

26634.18

Oleoyl amine + 11.303992

17099.85

29119.75

Oleoyl amine + 11.436401

6234.81

12951.39

Oleoyl amine + 12.276432

8359.81

27549.75

Oleoyl amine + 12.400412

15138.81

27003.75

Oleoyl amine + 13.464861

23471.30

29663.79

Oxalosuccinic acid

4895.37

3602.82

OXYQUINOLINE

10274.78

6291.36

OXYQUINOLINE + 5.7667704

11935.52

10742.00

Pantetheine

1506.74

1926.04

Pantothenic Acid

3314.85

3463.46

p-Coumaric acid

8889.30

15245.86

Penbutolol

6178.19

4605.89

pentan-3-one

2030560.30

2275982.18

Pentazocine trans acid

3233.63

3781.25

Pentoxifylline

8350.04

3868.25

PEUCENIN

7383.41

5741.29

PEUCENIN + 7.903765

18077.70

20454.00

PGE1 alcohol

5775.44

4006.57

PGF2alpha isopropyl ester

4641.70

6471.54

PGF2alpha isopropyl ester + 11.351006

3336.93

4931.21

PGF2alpha isopropyl ester + 11.451276

2562.19

3828.00

PGF2alpha isopropyl ester + 11.698368

6523.19

6319.79

Phenoperidine

20843.26

12945.32

Phensuximide

8346.70

7679.39

Phenylalanine

389572.63

361136.25

Phenytoin-N-glucuronide

5666.93

5588.18

Phthalic acid Mono-2-ethylhexyl Ester

31687.63

34819.61

Phthalic acid Mono-2-ethylhexyl Ester + 11.67471

60597.81

69056.61

Phthalic acid Mono-2-ethylhexyl Ester + 11.737526

126574.44

140109.96

Phthalic acid Mono-2-ethylhexyl Ester + 11.739214

85234.07

89847.61

p-HYDROXYCINNAMALDEHYDE

5084.63

9105.29

Pinacidil

32115.41

33380.86

Pinacidil + 4.3858333

86744.48

95173.82

Pinacidil + 4.4855013

2920.41

2420.64

Pinacidil-N-Oxide

8247.93

8983.50

Pindolol

8591.96

4238.75

PIPERINE

50527.26

81998.61

PIPERINE + 9.30038

8838.70

14601.96

PIPERINE + 9.393668

26674.22

42882.93

PRACTOLOL

18316.63

15625.50

PRACTOLOL + 10.951184

14007.30

10930.64

Procyclidine

12128.33

22135.86

Pro His

3935.00

2649.54

Pro His His

4371.89

5052.93

Proline

20986.26

6143.36

Pro Pro Phe

1797.07

1874.14

Purine

808648.26

1293013.57

Purine + 0.8628673

436876.48

555618.43

Pyrroline hydroxycarboxylic acid

291448.67

361388.71

RETUSOQUINONE

7163.70

10263.39

RETUSOQUINONE + 11.358456

12403.30

15667.89

Ritodrine glucuronide 2

5618.89

4942.29

SAPINDOSIDE A

2121.04

4303.75

Ser Asp Asp

3872.30

8069.79

Ser Ser Arg

2547.33

2537.25

Ser Ser Arg + 10.906904

2785.22

4936.36

Stearic acid

2111.81

3853.14

Sulfamethazine

24929.15

37424.07

Sulfaquinoxaline

1575.00

3140.43

Tacrolimus

193458.19

25716.50

TEGASEROD

1901.30

3280.25

Tetradecylamine

15476.41

8214.36

Theophylline

367664.04

206905.36

Theophylline + 3.6554136

117567.04

112505.46

Thioridazine

2670.41

3104.50

Threonate

8876.52

18806.36

Thr Glu

129866.04

96187.75

TIAPRIDE

3182.78

5660.18

TIAPRIDE + 5.395146

2026.19

3950.68

Tranexamic acid

42061.56

31713.46

trans-3-Hydroxycotinine glucuronide

5357.11

6032.50

trans-3-Hydroxycotinine glucuronide + 12.100258

4104.96

3769.11

Triparanol

49886.78

59937.50

Trp Phe

1551.41

1692.43

Tryptophan

132775.74

141803.61

Tyr Thr Cys

3617.41

20646.36

Ubiquinone

6721.04

9815.11

Ubiquinone + 8.070654

3223.96

5768.32

Urea

200457.52

223387.54

Uric acid

147334.70

127917.57

Uridine

15120.11

17070.96

Val Ala

8753.74

8048.18

VALERYL SALYCILATE

6617.19

3235.36

Valine

2392607.81

3651845.43

Valine + 1.1855006

334817.56

384528.50

Val Pro Thr

132473.30

139313.68

Val Val Trp

4044.63

3393.00

Vigabatrin

9959.85

14031.71

Vigabatrin + 1.0069108

67066.41

64883.46

(Z)-N-(2-hydroxyethyl)hexadec-7-enamide

104098.04

153729.89

Zopiclone

12025.22

11519.93

Data for ST000421

Factors:

F1	treatment:ND
F2	treatment:T1D poor glycemic control