Metabolomics Workbench : NIH Data Repository : Analyze Studies

Metabolite structure	F1	F2
11-deoxy-11-methylene-15-keto-PGD2	8982.24	9434.09
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid	7366.92	10180.53
1,2,4-Triazole-3-carboxamide	9982.20	10750.70
12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid	40146.89	45999.50
1-(3-Carboxypropyl)-3,7-dimethylxanthine	9178.83	9443.76
1,3-di-(11Z,14Z-eicosadienoyl)-2-(6Z,9Z,12Z-octadecatrienoyl...	8463.21	10198.89
1,3-Dimethyluric acid	37358.00	25330.10
1,3-Dimethyluric acid - 1.9407203	84551.42	84394.31
13E,17-octadecadienoic acid	286299.18	295658.11
(+/-)-13-HDoHE	8480.17	9243.40
13S-hydroxy-9E,11Z-octadecadienoic acid	15330.27	21225.72
16-hydroperoxy-9Z,12,14E-octadecatrienoic acid	72534.04	71364.75
17a-Ethynylestradiol 4-glucuronide	5958.23	6723.67
19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate	98589.29	50626.07
1alpha,25-Dihydroxy-2-[3^-(methoxymethoxy)propylidene]-19-no...	21035.36	33205.83
1alpha,25-dihydroxy-24-oxovitamin D_3 / 1alpha,25-dihydroxy-...	34900.21	35807.54
1alpha,25-dihydroxy-26,27-dimethyl-22-oxavitamin D3 / 1alpha...	249292.14	300897.82
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / 1al...	163390.96	174543.19
1alpha,25-dihydroxy-2beta-butoxyvitamin D3 / 1alpha,25-dihyd...	66342.31	74844.22
1alpha,2beta,25-trihydroxy-19-norvitamin D3 / 1alpha,2beta,2...	44520.15	53583.18
1alpha-hydroxy-18-[m-(1-hydroxy-1-ethylpropyl)-benzyloxy]-23...	36386.12	27759.42
1-Fluoro-25-hydroxy-16-ene-23-yne-26,27-hexadeuterovitamin-D...	82567.77	143135.16
1-heneicosanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn...	29952.25	24573.84
1H-Imidazole-4-carboxamide, 5-[3-(hydroxymethyl)-3-methyl-1-...	14303.74	15778.42
1-Hydroxyvitamin D3 diacetate	7116.71	18685.50
1-Methylguanosine	10038.79	12172.27
1-Methylinosine	6545.15	5999.71
1-Methyluric acid	34970.87	34044.64
1-Methyluric acid - 2.6832187	17714.00	8407.67
1-O-(1Z-hexadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoy...	18226.59	24956.63
1-O-(1Z-hexadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoy...	18829.44	25600.57
(20S)-1alpha,20,25-trihydroxyvitamin D_3 / (20S)-1alpha,20,2...	42984.76	38154.42
2,2-Dimethylsuccinic acid	6811.18	6527.81
(22E,24E)-1alpha,25-dihydroxy-22,23,24,24a-tetradehydro-24a-...	9896.06	14754.88
(22R)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a,24b-dih...	91028.00	78199.25
2,3-Dihydroxybenzoic acid	53959.00	44876.04
23-methyl-5Z,9Z-tetracosadienoic acid	46359.29	50239.46
2,3-Naphthalenedicarboxylic acid	2367892.29	4346023.42
2,3-Naphthalenedicarboxylic acid - 2.702536	1989013.71	2509433.62
2,3-Naphthalenedicarboxylic acid - 2.7786124	211030.29	418861.42
24,24-difluoro-1alpha,25-dihydroxy-26,27-dimethyl-24a-homovi...	11406.91	24358.74
2,4-DICHLOROPHENOXYACETIC ACID	5918.89	9422.38
2,4-DICHLOROPHENOXYACETIC ACID - 0.93742573	6485.10	6194.27
2,4-DICHLOROPHENOXYBUTYRIC ACID, METHYL ESTER	25415.80	4488.80
2,4-DICHLOROPHENOXYBUTYRIC ACID, METHYL ESTER - 1.1258451	5138.07	6150.40
2,4-DINITROPHENOL	12377.39	11110.00
(24R)-1alpha,24,25-trihydroxyvitamin D2 / (24R)-1alpha,24,25...	44680.39	48562.68
(24S)-1alpha,24,25-trihydroxy-22-oxavitamin D3 / (24S)-1alph...	12815.12	28115.40
25-Hydroxy[26,27-methyl]vitamin D3 3beta-(1,2-epoxypropyl)et...	103647.31	103504.30
26,27-diethyl-1alpha,25-dihydroxy-20,21-methano-23-oxavitami...	34263.38	28702.25
2-(Fluoromethoxy)-1,1,3,3,3-pentafluoro-1-propene (Compound ...	27743.11	35846.25
2-(Fluoromethoxy)-1,1,3,3,3-pentafluoro-1-propene (Compound ...	13570.26	18928.38
2-Heptenedioic acid, 4-oxo-	6208.65	6386.93
2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid	38378.93	20617.79
2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid - 1.18416...	150955.82	108504.19
2-Hydroxyethanesulfonate	58292.39	44036.29
2-Hydroxyethinylestradiol	93095.43	43657.93
2-Hydroxyethinylestradiol - 1.9711667	64554.87	13210.04
2-Hydroxyfelbamate	12180.54	9818.33
2-Methoxyestrone 3-glucuronide	10065.63	12251.27
2-Methyl-3-ketovaleric acid	73920.19	43337.57
2-methyl-tridecanedioic acid	28241.39	31280.70
2-Naphthaleneacetic acid, 6-hydroxy-	53695.16	12867.00
2-Oxo-3-hydroxy-4-phosphobutanoate	1405873.21	1329084.36
2-oxo capric acid	7315.64	6823.95
2-oxoisocaproic acid	84980.11	15595.44
2-Propylglutaric acid	7579.11	8849.88
2-propyl-tridecanoic acid	71305.50	45549.57
3,3-Dimethylglutarate	5247.71	4381.20
3,4,5-Trihydroxystilbene	54579.42	12030.35
3,4-dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione	13789.84	8250.19
3,6,8-dodecatrien-1-ol	2819.29	2061.00
3,7,12-Trioxochol-5-en-24-oic Acid	23011.93	24596.59
3,7-EPOXYCARYOPHYLLAN-6-ONE	19647.40	21450.62
3,9,15-Docosatriynoic acid	59078.30	40815.86
3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholest-24-e...	16249.95	11814.27
3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-cholest-23-...	110900.14	70163.91
3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-cholest-23-...	27596.26	28470.60
3-Amino-3-(4-hydroxyphenyl)propanoate	18315.92	21477.71
3beta,6alpha,7beta-Trihydroxy-5beta-cholan-24-oic Acid	30117.05	36800.19
3beta,7beta-Dihydroxy-12-oxo-5beta-cholan-24-oic Acid	25569.67	24238.22
3beta,7beta-Dihydroxy-5beta-cholestan-26-oic acid	64127.59	49797.91
3-Dehydroquinic acid	15804.06	15405.78
3-Deoxy-3-azido-25-hydroxyvitamin D3	21466.78	37007.04
3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid	141039.11	134383.96
3-DESMETHYL-5-DESHYDROXYSCLEROIN	28183.36	12460.44
3E,5E-tridecadienoic acid	36888.50	42372.70
3E-undecenoic acid	17406.70	15598.24
3-Hydroxy-2-methyl-[R-(R,S)]-butanoic acid	8113.83	9986.90
3-Hydroxysuberic acid	4245.50	5476.84
3-(Imidazol-4-yl)-2-oxopropyl phosphate	9629.85	10878.36
3-Indoleacetic Acid	11126.70	6868.32
3-Indolepropionic acid	9818.26	6254.71
3-keto palmitic acid	5144.68	4281.74
3-Methylindole	13040.18	15601.29
3-Methylxanthine	71824.64	54175.68
3-NOR-3-OXOPANASINSAN-6-OL	10309.14	12520.93
4-(2-Hydroxy-3-isopropylaminoproxy)-benzyloxy acetic acid	5600.68	4307.88
4-(2-hydroxypropoxy)-3,5-dimethyl-Phenol	13740.75	11314.53
4,7,10,13,16-docosapentaenoic acid	18376.52	12985.86
4,8-dimethyl-dodecanoic acid	5694.30	4674.95
4-AMINOETHYLBENZENESULFONYL FLUORIDE	7404.58	5400.00
4^-Apo-3,4-didehydrolycopene/ (4-Apo-3^,4^-didehydrolycopene...	27248.88	20184.06
,4-Dimethoxyphenethylamine	11450.92	8353.36
4-dodecynoic acid	14946.93	8975.00
4-Hydroxybenzyl cyanide	9972.92	5576.59
4-hydroxy lauric acid	14745.96	13575.16
4-hydroxy pelargonic acid	5319.46	5399.93
4Z,7Z,10Z,13Z-eicosatetraenoic acid	53182.46	45791.36
5,11-Eicosadienoic acid	4428.56	3915.11
5-[2-(hydroxymethyl)-5-methylphenoxy]-2,2-dimethyl-Pentanoic...	11291.90	10785.70
5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pentanoic aci...	8195.69	14555.25
(+/-)5,6-DiHETrE	18118.33	21389.46
5,6-Dihydrouridine	54760.21	39744.07
5,9-tetracosadienoic acid	17194.86	14411.77
5-Acetyl-4-methylthiazole	22795.67	26412.19
5a-Tetrahydrocorticosterone	14244.65	14974.04
5beta-Androstan-3alpha-ol-17-one sulfate	646252.50	748574.93
5beta-Cholane-3alpha,24-diol	16868.11	13079.92
5beta;-CHOLANIC ACID-3alpha;, 12alpha;-DIOL N-(2-SULPHOETHYL...	13429.58	20825.91
5beta;-CHOLANIC ACID-3alpha;, 12alpha;-DIOL N-(2-SULPHOETHYL...	23336.11	40908.08
(5E,10E)-19-(3-carboxylpropyl)vitamin D3 / (5E,10E)-19-(3-ca...	79215.12	185013.30
5^-Hydroxysulfapyridine glucuronide	13132.44	5616.05
5-methyl-2E-tridecenoic acid	26939.92	16670.50
5-octadecylenic acid	276383.14	267467.82
6alpha-Hydroxycastasterone	265632.19	287366.67
6alpha-METHYLPREDNISOLONE ACETATE	19252.90	16301.00
6-Hydroxynicotinic acid	30775.25	23943.96
6-Methoxy-2-naphthylacetic acid	44829.64	24804.11
6-Methoxy-2-naphthylacetic acid - 1.5383995	121057.14	192952.43
6-Methylthioguanine	5554.54	4208.11
(6S)-1alpha,25-dihydroxyvitamin D3 6,19-sulfur dioxide adduc...	10247.91	9520.73
7-Dehydrologanin tetraacetate	6703.48	11100.71
7-Ethoxycoumarin	35200.12	6347.00
7-Hydroxyfluphenazine glucuronide	5953.30	11537.92
7-Hydroxymethotrexate	48633.30	13755.93
7-Hydroxyoctanoic acid	12398.04	13568.75
7-hydroxy Tetranor Iloprost	96704.14	88656.07
7-palmitoleic acid	31005.11	22179.04
8,13-dihydroxy-9,11-octadecadienoic acid	94329.71	135688.54
9,12,14-octadecatrienoic acid	85704.71	110027.14
9,13-dihydroxy-11-octadecenoic acid	34077.41	41448.43
9-lauroleic acid	9809.59	8451.46
ABSCISIC ACID (cis,trans)	8557.12	12153.29
Acenocoumarol	7081.56	9171.91
Acetoacetic acid	6015.88	8987.07
Acetoacetic acid - 2.6111403	40122.25	20473.89
Acetoacetic acid - 2.7794967	53427.89	20228.18
Acetoin	23833.86	21618.07
Acipimox	59447.89	55528.86
Acrylic acid	36505.00	13550.71
a-hydroxyisovalerate	32937.48	27524.44
a-hydroxyisovalerate - 1.5014749	55855.75	50155.79
Allantoin	17239.65	9440.05
Allantoin - 1.9150978	16607.75	16236.48
Allantoin - 2.0730007	9280.42	15097.75
Allysine	11001.29	10567.43
alpha-hydroxyisobutyrate	93477.56	77384.67
alpha-hydroxyisobutyrate - 1.5336198	331320.29	805039.07
alpha-hydroxyisobutyrate - 5.106458	77977.32	112272.05
ANGOLENSIC ACID, METHYL ESTER	9753.25	14399.36
ANGOLENSIN (R)	44500.38	17866.50
Anhydrorhodovibrin	71038.73	110582.23
Arbekacin	78522.86	109387.20
Arg Met Thr	12982.00	15405.00
Arg Phe Arg	10892.88	11037.00
Asn Thr Phe	10056.92	11879.30
Asp Gly Gly	36284.89	30987.79
Benazeprilat	10524.78	11555.93
Benzene	14812.55	9584.47
Benzoic acid	8915.91	7661.53
Benzoic acid - 1.0895942	45519.16	31161.46
Benzyl alcohol	221546.18	324130.50
Benzyl alcohol - 1.1619599	14131.82	13785.25
beta-Alanine	6240.60	4132.74
bicyclo-PGE2	22250.78	14419.92
Bifemelane (M4)	63256.38	27828.83
Bilirubin	393539.39	352821.48
Biliverdin IX	6425.58	7393.00
Biliverdin IX - 1.3259428	17895.58	20948.24
BUFEXAMAC	10257.36	11942.47
Bumetanide M1	7182.86	7797.00
B-ureidoisobutyric acid	25794.87	24948.36
Castasterone	35971.92	73800.36
Chenodeoxycholic acid sulfate	20394.32	30235.76
Cholesterol sulfate	9731.21	9976.62
Cilastatin	3369.00	3408.38
Creatinine	281046.29	228067.04
Cystine	15722.25	12215.71
Cys Tyr Met	5599.25	6543.75
D1-2-Hydroxymethylethisterone	25453.48	33949.18
D1-2-Hydroxymethylethisterone - 1.9729741	38543.88	11908.04
Dehydronifedipine	9551.91	10479.18
Demethylclomipramine	23906.32	17152.71
Demethylmethoxsalen	8078.16	17814.42
deschlorobenzoyl Indomethacin	19940.82	18659.74
Desmosine	10191.74	7740.29
D-Glucose	27962.41	47298.00
D-Glucose - 2.7780893	261296.46	24252.44
Diacetyl	9466.96	6284.32
Diacetyl - 1.6697811	13077.22	14395.29
Dibenzo[b,e]thiepin, 1-propanamine deriv	4105.20	4043.05
Dihydroxyacetone (glycerone)	110787.19	176082.60
Dihydroxyacetone (glycerone) - 2.5921504	634723.20	128709.05
dihydroxyacetone phosphate (DHAP)	2180456.96	1973680.96
DIMETHYLCAFFEIC ACID	28764.32	5915.42
DL-3-hydroxy caproic acid	13239.64	13597.11
Docosanedioic acid	4627.37	5094.30
Dodecaprenyl phosphate-galacturonic acid	15489.25	9263.24
D-Phenyllactic acid	14067.50	11600.24
D-Urobilinogen	11369.64	15807.10
Ecgonine	3970.52	4455.08
Eicosanedioic acid	13043.60	13276.96
Embelin	11297.95	10829.65
Embelin - 0.8075919	8636.10	6428.64
Embelin - 1.0076177	33260.04	28955.86
Embelin - 1.105527	127933.29	152509.89
Embelin - 1.2979721	8247.83	7439.41
Embelin - 1.9461942	15586.47	15297.72
Embelin - 1.9698637	13896.33	17965.78
Embelin - 5.0215707	6810.07	6480.67
Ethacrynic acid	16164.11	8494.71
Ethanolamine phosphate (Phosphoethanolamine)	7506.00	9697.67
Fenoprofen	12062.12	9516.00
Fexofenadine	18322.35	20010.77
fludrocortisone	7331.44	5097.88
Fluorescein	4922.93	4210.23
Fumaric acid	6106.75	6673.18
Gemfibrozil	22000.19	50092.93
Gentisic acid	31178.88	33471.50
Glc-GP(18:0/20:4(5Z,8Z,11Z,14Z))	21560.67	20465.86
Glc-GP(18:0/20:4(5Z,8Z,11Z,14Z)) - 4.3366427	25144.50	21762.19
Glucoheptonic acid	32944.75	41530.53
Glu Glu Arg	12653.25	12957.46
Glutaconic acid	3839.64	3034.36
Glutaral (Glutaraldehyde)	11447.57	9765.41
Glutaral (Glutaraldehyde) - 1.5350673	11779.16	8234.71
glyceraldehyde	55628.50	46857.21
Glycolaldehyde	13121.79	32192.82
Glycolaldehyde - 2.7607846	7987.00	11244.88
Glycoursodeoxycholic acid	39192.89	46455.61
Glycoursodeoxycholic acid - 4.796306	12263.22	28517.35
Glyoxylic acid	9753.62	8874.58
GPEtn(16:0/18:2(9Z,12Z))	10910.05	12231.26
GPEtn(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	14752.46	8952.35
GPEtn(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) - 4.4329534	14353.28	6653.91
GPEtn(18:0/0:0)	748007.14	604775.96
GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U]	11781.91	8312.14
GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U] - 4.411743	9351.00	7815.11
GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U] - 5.0317707	335111.21	380696.88
GPEtn(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	167142.52	160727.52
GPEtnNMe(16:0/18:1(9Z))	21283.26	8333.00
GPEtnNMe(18:1(9Z)/18:1(9Z))[U]	920722.46	984105.43
GPEtn(O-16:0/22:5(4Z,7Z,10Z,13Z,16Z))	12713.85	14402.67
GPEtn(O-16:0/22:5(4Z,7Z,10Z,13Z,16Z)) - 4.972112	12729.89	17279.68
GPGro(17:0/20:4(5Z,8Z,11Z,14Z))	24054.40	25365.35
GPSer(18:0/20:4(5Z,8Z,11Z,14Z))	28335.46	30382.68
GPSer(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	16110.19	15863.07
griseorhodin A	8494.89	8969.86
Guaiacol	14191.00	14877.29
Hexadecanedioic acid	14988.82	15466.89
Hippuric acid	763472.68	425943.46
Hydantoin-5-propionic acid	7802.91	9599.73
Hydrocortisone caproate	5008.06	5889.65
HYDROLYSIS PRODUCT OF BUSSEIN	22941.65	6625.86
HYDROLYSIS PRODUCT OF BUSSEIN - 1.9642363	42561.76	16535.64
Hypoxanthine	40861.54	27477.72
Imidazolone	16363.27	8781.41
Imidazolone - 0.95026875	4943.83	3220.57
Imidazolone - 1.1720481	22889.57	13669.96
Imidazolone - 2.03967	10258.17	3984.35
Indoxylsulfuric acid	549676.25	299490.79
Isoacitretin	64947.11	38216.21
Isoacitretin - 1.9718536	55196.27	18465.86
Isoacitretin - 2.8220913	46386.40	15174.17
ISOEUGENITOL	9595.33	8247.82
isoflurophate	7650.27	8862.81
Isoquinoline N-oxide	167825.39	162835.64
Ketoleucine	6835.47	5823.82
KOBUSONE	13457.24	20854.71
Lactaldehyde	78964.21	83504.86
Lactaldehyde - 1.8436897	30403.68	37244.07
Lactaldehyde - 1.9245304	7169.75	11444.40
Lactic acid	323557.29	218110.64
Lactone of PGF-MUM	8068.74	8488.46
Lecanoric acid	11335.08	8102.90
Leucine	88878.86	119283.43
LEVULINIC ACID, 3-BENZYLIDENYL-	9177.38	25272.47
L-gamma-Cyano-gamma-aminobutyric acid	15728.80	8437.64
Limonene-1,2-epoxide	4847.60	7575.78
Lorazepam	15465.23	12635.33
Lorazepam - 2.8117664	37132.69	41486.15
Lys Cys His	26483.80	34481.52
Lys Cys His - 1.0133727	66445.68	35026.87
MADECASSIC ACID	31090.92	46769.89
MERBROMIN	6244.19	6823.64
Mesalamine	7942.24	6410.19
Methionine	7045.36	7206.78
Met His Lys	95287.25	81890.54
methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate	21075.06	20119.38
Methylglyoxal	9365.07	10692.86
Methyl jasmonate	18042.89	20430.82
Mono-N-depropylprobenecid	9026.71	3738.00
m-Salicylic acid	5093.43	4688.84
Murocholic acid	199196.64	203592.43
Murocholic acid - 1.1891849	116885.75	170396.77
Murocholic acid - 1.323932	13177.47	19696.29
N- (2-AMINOETHYL)-4-CHLOROBENZAMIDE (RO-16-6491)	4945.32	4437.05
N-Acetyl-5-aminosalicylic acid	15502.28	12190.11
N-Acetyl-5-hydroxysulfapyridine	23380.18	10334.25
N-Acetylarylamine	70371.78	37767.57
N-Acetylgalactosamine 4-sulphate	9033.61	8340.93
Naproxen	27625.29	15904.88
N-formylmethionine	9093.00	9153.88
N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine	14274.64	25323.18
n-Hexanoic Acid	3654.79	3382.41
NIMUSTINE	15856.07	16647.79
Normetanephrine glucuronide	9688.00	8803.00
O-Desmethylnaproxen	70182.11	17597.86
ORTHOTHYMOTINIC ACID	11096.25	4793.81
OSTHOL	9267.31	7017.90
OXOLINIC ACID	9925.88	9851.86
Oxymetholone	5040.89	5328.75
Panaxynol	9054.20	8770.25
Parahydroxyphenylacetic acid	5243.00	4928.64
Parahydroxyphenylacetic acid - 0.7270009	6039.79	8087.75
Parahydroxyphenylacetic acid - 1.0767124	5021.65	4704.87
Paraxanthine	96071.74	85198.48
PEUCEDANIN	14231.22	12338.57
PGB3	7732.68	4373.44
Phenol	73360.04	51638.89
Phenylalanine	53869.46	54811.93
Phenyl sulfate	311571.00	192628.57
Phthalic acid Mono-2-ethylhexyl Ester	6757.00	8295.08
Prednicarbate	5619.25	15478.90
Pregnanolone sulfate	116533.75	87664.82
Pregnenolone sulfate	28071.04	20095.08
Procarbazine	7335.77	5127.68
Procarbazine - 1.0658925	7226.95	5957.61
Proline	10226.52	14429.64
Pseudouridine	407666.32	374586.71
Pteridine	6698.59	7020.22
Purine	1197512.45	1348279.83
Purine - 0.85180575	296460.48	248801.73
Purine - 0.9651424	247184.67	216166.73
Purine - 1.9555072	741559.13	723620.86
Pyrocatechol	51979.61	39387.57
Pyrocatechol - 0.9365421	8299.27	8943.50
Pyrocatechol - 1.0253521	5461.30	8953.17
Pyrocatechol sulfate	141027.20	103598.40
PYROGALLIN	8002.87	6950.38
Pyroglutamic acid	7676.32	10646.79
Pyrrole-2-carboxylic acid	8165.64	6816.19
Pyruvic acid	18459.46	13276.95
Quinaldic acid	17846.30	10342.85
Rhodovibrin	9310.90	10475.24
Ribulose	17145.57	17627.19
Saccharin	9267.40	17747.69
SAPPANONE A 7-METHYL ETHER	12758.75	4857.33
Ser Asp Gly	27801.27	26269.96
Ser Phe Lys	4936.29	6242.12
Spheroidenone	12646.77	16809.27
Stearic acid	64390.71	40864.75
Succinic acid	35258.89	39013.46
Succinic anhydride	6754.67	7637.00
Sulfadoxine suflate	47850.78	59057.29
Sulfate	12856.61	8652.21
Sulfate - 0.96911985	19325.73	15280.85
Sulfisoxazole	15648.29	23612.57
Sulfite	22783.53	30149.50
Sulfolithocholic acid	11318.12	9162.72
Sulfolithocholylglycine	131649.96	164749.00
Taurine	7418.20	12016.29
Teasterone	230934.61	294678.79
TENIPOSIDE	5182.33	4019.12
Testosterone sulfate	15381.39	5883.06
Testosterone sulfate - 0.86699945	1094419.71	1424419.71
Tetracosanedioic acid	10400.76	12947.62
Tetranor Iloprost	3471.90	4421.91
Theobromine	24231.40	15536.62
Threonate	9937.60	7689.58
Thr Ile Gln	14995.79	32654.15
Traumatic acid	28704.76	20423.55
Tricosanedioic acid	5512.27	4939.56
Trihydroxycoprostanoic acid	174875.92	186181.70
Triparanol	6290.38	7307.82
Trp Gln Gln	12701.80	15542.75
Tryptophan	85572.39	78138.18
TUBAIC ACID	6648.22	7213.43
Tuberonic acid	8839.12	10864.18
Tyr Leu Arg	23108.81	31728.82
Uracil	16120.04	15369.67
Uric acid	79430.50	90066.54
Uridine	402615.07	353556.82
Valine	28692.43	42373.79
Xanthine	30400.64	30507.62
Xanthine - 1.9284873	43562.00	53074.32

11-deoxy-11-methylene-15-keto-PGD2

8982.24

9434.09

11-hydroperoxy-12,13-epoxy-9-octadecenoic acid

7366.92

10180.53

1,2,4-Triazole-3-carboxamide

9982.20

10750.70

12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid

40146.89

45999.50

1-(3-Carboxypropyl)-3,7-dimethylxanthine

9178.83

9443.76

1,3-di-(11Z,14Z-eicosadienoyl)-2-(6Z,9Z,12Z-octadecatrienoyl...

8463.21

10198.89

1,3-Dimethyluric acid

37358.00

25330.10

1,3-Dimethyluric acid - 1.9407203

84551.42

84394.31

13E,17-octadecadienoic acid

286299.18

295658.11

(+/-)-13-HDoHE

8480.17

9243.40

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

15330.27

21225.72

16-hydroperoxy-9Z,12,14E-octadecatrienoic acid

72534.04

71364.75

17a-Ethynylestradiol 4-glucuronide

5958.23

6723.67

19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate

98589.29

50626.07

1alpha,25-Dihydroxy-2-[3^-(methoxymethoxy)propylidene]-19-no...

21035.36

33205.83

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

34900.21

35807.54

1alpha,25-dihydroxy-26,27-dimethyl-22-oxavitamin D3 / 1alpha...

249292.14

300897.82

1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / 1al...

163390.96

174543.19

1alpha,25-dihydroxy-2beta-butoxyvitamin D3 / 1alpha,25-dihyd...

66342.31

74844.22

1alpha,2beta,25-trihydroxy-19-norvitamin D3 / 1alpha,2beta,2...

44520.15

53583.18

1alpha-hydroxy-18-[m-(1-hydroxy-1-ethylpropyl)-benzyloxy]-23...

36386.12

27759.42

1-Fluoro-25-hydroxy-16-ene-23-yne-26,27-hexadeuterovitamin-D...

82567.77

143135.16

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

29952.25

24573.84

1H-Imidazole-4-carboxamide, 5-[3-(hydroxymethyl)-3-methyl-1-...

14303.74

15778.42

1-Hydroxyvitamin D3 diacetate

7116.71

18685.50

1-Methylguanosine

10038.79

12172.27

1-Methylinosine

6545.15

5999.71

1-Methyluric acid

34970.87

34044.64

1-Methyluric acid - 2.6832187

17714.00

8407.67

1-O-(1Z-hexadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoy...

18226.59

24956.63

1-O-(1Z-hexadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoy...

18829.44

25600.57

(20S)-1alpha,20,25-trihydroxyvitamin D_3 / (20S)-1alpha,20,2...

42984.76

38154.42

2,2-Dimethylsuccinic acid

6811.18

6527.81

(22E,24E)-1alpha,25-dihydroxy-22,23,24,24a-tetradehydro-24a-...

9896.06

14754.88

(22R)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a,24b-dih...

91028.00

78199.25

2,3-Dihydroxybenzoic acid

53959.00

44876.04

23-methyl-5Z,9Z-tetracosadienoic acid

46359.29

50239.46

2,3-Naphthalenedicarboxylic acid

2367892.29

4346023.42

2,3-Naphthalenedicarboxylic acid - 2.702536

1989013.71

2509433.62

2,3-Naphthalenedicarboxylic acid - 2.7786124

211030.29

418861.42

24,24-difluoro-1alpha,25-dihydroxy-26,27-dimethyl-24a-homovi...

11406.91

24358.74

2,4-DICHLOROPHENOXYACETIC ACID

5918.89

9422.38

2,4-DICHLOROPHENOXYACETIC ACID - 0.93742573

6485.10

6194.27

2,4-DICHLOROPHENOXYBUTYRIC ACID, METHYL ESTER

25415.80

4488.80

2,4-DICHLOROPHENOXYBUTYRIC ACID, METHYL ESTER - 1.1258451

5138.07

6150.40

2,4-DINITROPHENOL

12377.39

11110.00

(24R)-1alpha,24,25-trihydroxyvitamin D2 / (24R)-1alpha,24,25...

44680.39

48562.68

(24S)-1alpha,24,25-trihydroxy-22-oxavitamin D3 / (24S)-1alph...

12815.12

28115.40

25-Hydroxy[26,27-methyl]vitamin D3 3beta-(1,2-epoxypropyl)et...

103647.31

103504.30

26,27-diethyl-1alpha,25-dihydroxy-20,21-methano-23-oxavitami...

34263.38

28702.25

2-(Fluoromethoxy)-1,1,3,3,3-pentafluoro-1-propene (Compound ...

27743.11

35846.25

2-(Fluoromethoxy)-1,1,3,3,3-pentafluoro-1-propene (Compound ...

13570.26

18928.38

2-Heptenedioic acid, 4-oxo-

6208.65

6386.93

2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid

38378.93

20617.79

2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid - 1.18416...

150955.82

108504.19

2-Hydroxyethanesulfonate

58292.39

44036.29

2-Hydroxyethinylestradiol

93095.43

43657.93

2-Hydroxyethinylestradiol - 1.9711667

64554.87

13210.04

2-Hydroxyfelbamate

12180.54

9818.33

2-Methoxyestrone 3-glucuronide

10065.63

12251.27

2-Methyl-3-ketovaleric acid

73920.19

43337.57

2-methyl-tridecanedioic acid

28241.39

31280.70

2-Naphthaleneacetic acid, 6-hydroxy-

53695.16

12867.00

2-Oxo-3-hydroxy-4-phosphobutanoate

1405873.21

1329084.36

2-oxo capric acid

7315.64

6823.95

2-oxoisocaproic acid

84980.11

15595.44

2-Propylglutaric acid

7579.11

8849.88

2-propyl-tridecanoic acid

71305.50

45549.57

3,3-Dimethylglutarate

5247.71

4381.20

3,4,5-Trihydroxystilbene

54579.42

12030.35

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

13789.84

8250.19

3,6,8-dodecatrien-1-ol

2819.29

2061.00

3,7,12-Trioxochol-5-en-24-oic Acid

23011.93

24596.59

3,7-EPOXYCARYOPHYLLAN-6-ONE

19647.40

21450.62

3,9,15-Docosatriynoic acid

59078.30

40815.86

3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholest-24-e...

16249.95

11814.27

3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-cholest-23-...

110900.14

70163.91

3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-cholest-23-...

27596.26

28470.60

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

18315.92

21477.71

3beta,6alpha,7beta-Trihydroxy-5beta-cholan-24-oic Acid

30117.05

36800.19

3beta,7beta-Dihydroxy-12-oxo-5beta-cholan-24-oic Acid

25569.67

24238.22

3beta,7beta-Dihydroxy-5beta-cholestan-26-oic acid

64127.59

49797.91

3-Dehydroquinic acid

15804.06

15405.78

3-Deoxy-3-azido-25-hydroxyvitamin D3

21466.78

37007.04

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

141039.11

134383.96

3-DESMETHYL-5-DESHYDROXYSCLEROIN

28183.36

12460.44

3E,5E-tridecadienoic acid

36888.50

42372.70

3E-undecenoic acid

17406.70

15598.24

3-Hydroxy-2-methyl-[R-(R,S)]-butanoic acid

8113.83

9986.90

3-Hydroxysuberic acid

4245.50

5476.84

3-(Imidazol-4-yl)-2-oxopropyl phosphate

9629.85

10878.36

3-Indoleacetic Acid

11126.70

6868.32

3-Indolepropionic acid

9818.26

6254.71

3-keto palmitic acid

5144.68

4281.74

3-Methylindole

13040.18

15601.29

3-Methylxanthine

71824.64

54175.68

3-NOR-3-OXOPANASINSAN-6-OL

10309.14

12520.93

4-(2-Hydroxy-3-isopropylaminoproxy)-benzyloxy acetic acid

5600.68

4307.88

4-(2-hydroxypropoxy)-3,5-dimethyl-Phenol

13740.75

11314.53

4,7,10,13,16-docosapentaenoic acid

18376.52

12985.86

4,8-dimethyl-dodecanoic acid

5694.30

4674.95

4-AMINOETHYLBENZENESULFONYL FLUORIDE

7404.58

5400.00

4^-Apo-3,4-didehydrolycopene/ (4-Apo-3^,4^-didehydrolycopene...

27248.88

20184.06

,4-Dimethoxyphenethylamine

11450.92

8353.36

4-dodecynoic acid

14946.93

8975.00

4-Hydroxybenzyl cyanide

9972.92

5576.59

4-hydroxy lauric acid

14745.96

13575.16

4-hydroxy pelargonic acid

5319.46

5399.93

4Z,7Z,10Z,13Z-eicosatetraenoic acid

53182.46

45791.36

5,11-Eicosadienoic acid

4428.56

3915.11

5-[2-(hydroxymethyl)-5-methylphenoxy]-2,2-dimethyl-Pentanoic...

11291.90

10785.70

5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pentanoic aci...

8195.69

14555.25

(+/-)5,6-DiHETrE

18118.33

21389.46

5,6-Dihydrouridine

54760.21

39744.07

5,9-tetracosadienoic acid

17194.86

14411.77

5-Acetyl-4-methylthiazole

22795.67

26412.19

5a-Tetrahydrocorticosterone

14244.65

14974.04

5beta-Androstan-3alpha-ol-17-one sulfate

646252.50

748574.93

5beta-Cholane-3alpha,24-diol

16868.11

13079.92

5beta;-CHOLANIC ACID-3alpha;, 12alpha;-DIOL N-(2-SULPHOETHYL...

13429.58

20825.91

5beta;-CHOLANIC ACID-3alpha;, 12alpha;-DIOL N-(2-SULPHOETHYL...

23336.11

40908.08

(5E,10E)-19-(3-carboxylpropyl)vitamin D3 / (5E,10E)-19-(3-ca...

79215.12

185013.30

5^-Hydroxysulfapyridine glucuronide

13132.44

5616.05

5-methyl-2E-tridecenoic acid

26939.92

16670.50

5-octadecylenic acid

276383.14

267467.82

6alpha-Hydroxycastasterone

265632.19

287366.67

6alpha-METHYLPREDNISOLONE ACETATE

19252.90

16301.00

6-Hydroxynicotinic acid

30775.25

23943.96

6-Methoxy-2-naphthylacetic acid

44829.64

24804.11

6-Methoxy-2-naphthylacetic acid - 1.5383995

121057.14

192952.43

6-Methylthioguanine

5554.54

4208.11

(6S)-1alpha,25-dihydroxyvitamin D3 6,19-sulfur dioxide adduc...

10247.91

9520.73

7-Dehydrologanin tetraacetate

6703.48

11100.71

7-Ethoxycoumarin

35200.12

6347.00

7-Hydroxyfluphenazine glucuronide

5953.30

11537.92

7-Hydroxymethotrexate

48633.30

13755.93

7-Hydroxyoctanoic acid

12398.04

13568.75

7-hydroxy Tetranor Iloprost

96704.14

88656.07

7-palmitoleic acid

31005.11

22179.04

8,13-dihydroxy-9,11-octadecadienoic acid

94329.71

135688.54

9,12,14-octadecatrienoic acid

85704.71

110027.14

9,13-dihydroxy-11-octadecenoic acid

34077.41

41448.43

9-lauroleic acid

9809.59

8451.46

ABSCISIC ACID (cis,trans)

8557.12

12153.29

Acenocoumarol

7081.56

9171.91

Acetoacetic acid

6015.88

8987.07

Acetoacetic acid - 2.6111403

40122.25

20473.89

Acetoacetic acid - 2.7794967

53427.89

20228.18

Acetoin

23833.86

21618.07

Acipimox

59447.89

55528.86

Acrylic acid

36505.00

13550.71

a-hydroxyisovalerate

32937.48

27524.44

a-hydroxyisovalerate - 1.5014749

55855.75

50155.79

Allantoin

17239.65

9440.05

Allantoin - 1.9150978

16607.75

16236.48

Allantoin - 2.0730007

9280.42

15097.75

Allysine

11001.29

10567.43

alpha-hydroxyisobutyrate

93477.56

77384.67

alpha-hydroxyisobutyrate - 1.5336198

331320.29

805039.07

alpha-hydroxyisobutyrate - 5.106458

77977.32

112272.05

ANGOLENSIC ACID, METHYL ESTER

9753.25

14399.36

ANGOLENSIN (R)

44500.38

17866.50

Anhydrorhodovibrin

71038.73

110582.23

Arbekacin

78522.86

109387.20

Arg Met Thr

12982.00

15405.00

Arg Phe Arg

10892.88

11037.00

Asn Thr Phe

10056.92

11879.30

Asp Gly Gly

36284.89

30987.79

Benazeprilat

10524.78

11555.93

Benzene

14812.55

9584.47

Benzoic acid

8915.91

7661.53

Benzoic acid - 1.0895942

45519.16

31161.46

Benzyl alcohol

221546.18

324130.50

Benzyl alcohol - 1.1619599

14131.82

13785.25

beta-Alanine

6240.60

4132.74

bicyclo-PGE2

22250.78

14419.92

Bifemelane (M4)

63256.38

27828.83

Bilirubin

393539.39

352821.48

Biliverdin IX

6425.58

7393.00

Biliverdin IX - 1.3259428

17895.58

20948.24

BUFEXAMAC

10257.36

11942.47

Bumetanide M1

7182.86

7797.00

B-ureidoisobutyric acid

25794.87

24948.36

Castasterone

35971.92

73800.36

Chenodeoxycholic acid sulfate

20394.32

30235.76

Cholesterol sulfate

9731.21

9976.62

Cilastatin

3369.00

3408.38

Creatinine

281046.29

228067.04

Cystine

15722.25

12215.71

Cys Tyr Met

5599.25

6543.75

D1-2-Hydroxymethylethisterone

25453.48

33949.18

D1-2-Hydroxymethylethisterone - 1.9729741

38543.88

11908.04

Dehydronifedipine

9551.91

10479.18

Demethylclomipramine

23906.32

17152.71

Demethylmethoxsalen

8078.16

17814.42

deschlorobenzoyl Indomethacin

19940.82

18659.74

Desmosine

10191.74

7740.29

D-Glucose

27962.41

47298.00

D-Glucose - 2.7780893

261296.46

24252.44

Diacetyl

9466.96

6284.32

Diacetyl - 1.6697811

13077.22

14395.29

Dibenzo[b,e]thiepin, 1-propanamine deriv

4105.20

4043.05

Dihydroxyacetone (glycerone)

110787.19

176082.60

Dihydroxyacetone (glycerone) - 2.5921504

634723.20

128709.05

dihydroxyacetone phosphate (DHAP)

2180456.96

1973680.96

DIMETHYLCAFFEIC ACID

28764.32

5915.42

DL-3-hydroxy caproic acid

13239.64

13597.11

Docosanedioic acid

4627.37

5094.30

Dodecaprenyl phosphate-galacturonic acid

15489.25

9263.24

D-Phenyllactic acid

14067.50

11600.24

D-Urobilinogen

11369.64

15807.10

Ecgonine

3970.52

4455.08

Eicosanedioic acid

13043.60

13276.96

Embelin

11297.95

10829.65

Embelin - 0.8075919

8636.10

6428.64

Embelin - 1.0076177

33260.04

28955.86

Embelin - 1.105527

127933.29

152509.89

Embelin - 1.2979721

8247.83

7439.41

Embelin - 1.9461942

15586.47

15297.72

Embelin - 1.9698637

13896.33

17965.78

Embelin - 5.0215707

6810.07

6480.67

Ethacrynic acid

16164.11

8494.71

Ethanolamine phosphate (Phosphoethanolamine)

7506.00

9697.67

Fenoprofen

12062.12

9516.00

Fexofenadine

18322.35

20010.77

fludrocortisone

7331.44

5097.88

Fluorescein

4922.93

4210.23

Fumaric acid

6106.75

6673.18

Gemfibrozil

22000.19

50092.93

Gentisic acid

31178.88

33471.50

Glc-GP(18:0/20:4(5Z,8Z,11Z,14Z))

21560.67

20465.86

Glc-GP(18:0/20:4(5Z,8Z,11Z,14Z)) - 4.3366427

25144.50

21762.19

Glucoheptonic acid

32944.75

41530.53

Glu Glu Arg

12653.25

12957.46

Glutaconic acid

3839.64

3034.36

Glutaral (Glutaraldehyde)

11447.57

9765.41

Glutaral (Glutaraldehyde) - 1.5350673

11779.16

8234.71

glyceraldehyde

55628.50

46857.21

Glycolaldehyde

13121.79

32192.82

Glycolaldehyde - 2.7607846

7987.00

11244.88

Glycoursodeoxycholic acid

39192.89

46455.61

Glycoursodeoxycholic acid - 4.796306

12263.22

28517.35

Glyoxylic acid

9753.62

8874.58

GPEtn(16:0/18:2(9Z,12Z))

10910.05

12231.26

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

14752.46

8952.35

GPEtn(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) - 4.4329534

14353.28

6653.91

GPEtn(18:0/0:0)

748007.14

604775.96

GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U]

11781.91

8312.14

GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U] - 4.411743

9351.00

7815.11

GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U] - 5.0317707

335111.21

380696.88

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

167142.52

160727.52

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

21283.26

8333.00

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

920722.46

984105.43

GPEtn(O-16:0/22:5(4Z,7Z,10Z,13Z,16Z))

12713.85

14402.67

GPEtn(O-16:0/22:5(4Z,7Z,10Z,13Z,16Z)) - 4.972112

12729.89

17279.68

GPGro(17:0/20:4(5Z,8Z,11Z,14Z))

24054.40

25365.35

GPSer(18:0/20:4(5Z,8Z,11Z,14Z))

28335.46

30382.68

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

16110.19

15863.07

griseorhodin A

8494.89

8969.86

Guaiacol

14191.00

14877.29

Hexadecanedioic acid

14988.82

15466.89

Hippuric acid

763472.68

425943.46

Hydantoin-5-propionic acid

7802.91

9599.73

Hydrocortisone caproate

5008.06

5889.65

HYDROLYSIS PRODUCT OF BUSSEIN

22941.65

6625.86

HYDROLYSIS PRODUCT OF BUSSEIN - 1.9642363

42561.76

16535.64

Hypoxanthine

40861.54

27477.72

Imidazolone

16363.27

8781.41

Imidazolone - 0.95026875

4943.83

3220.57

Imidazolone - 1.1720481

22889.57

13669.96

Imidazolone - 2.03967

10258.17

3984.35

Indoxylsulfuric acid

549676.25

299490.79

Isoacitretin

64947.11

38216.21

Isoacitretin - 1.9718536

55196.27

18465.86

Isoacitretin - 2.8220913

46386.40

15174.17

ISOEUGENITOL

9595.33

8247.82

isoflurophate

7650.27

8862.81

Isoquinoline N-oxide

167825.39

162835.64

Ketoleucine

6835.47

5823.82

KOBUSONE

13457.24

20854.71

Lactaldehyde

78964.21

83504.86

Lactaldehyde - 1.8436897

30403.68

37244.07

Lactaldehyde - 1.9245304

7169.75

11444.40

Lactic acid

323557.29

218110.64

Lactone of PGF-MUM

8068.74

8488.46

Lecanoric acid

11335.08

8102.90

Leucine

88878.86

119283.43

LEVULINIC ACID, 3-BENZYLIDENYL-

9177.38

25272.47

L-gamma-Cyano-gamma-aminobutyric acid

15728.80

8437.64

Limonene-1,2-epoxide

4847.60

7575.78

Lorazepam

15465.23

12635.33

Lorazepam - 2.8117664

37132.69

41486.15

Lys Cys His

26483.80

34481.52

Lys Cys His - 1.0133727

66445.68

35026.87

MADECASSIC ACID

31090.92

46769.89

MERBROMIN

6244.19

6823.64

Mesalamine

7942.24

6410.19

Methionine

7045.36

7206.78

Met His Lys

95287.25

81890.54

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

21075.06

20119.38

Methylglyoxal

9365.07

10692.86

Methyl jasmonate

18042.89

20430.82

Mono-N-depropylprobenecid

9026.71

3738.00

m-Salicylic acid

5093.43

4688.84

Murocholic acid

199196.64

203592.43

Murocholic acid - 1.1891849

116885.75

170396.77

Murocholic acid - 1.323932

13177.47

19696.29

N- (2-AMINOETHYL)-4-CHLOROBENZAMIDE (RO-16-6491)

4945.32

4437.05

N-Acetyl-5-aminosalicylic acid

15502.28

12190.11

N-Acetyl-5-hydroxysulfapyridine

23380.18

10334.25

N-Acetylarylamine

70371.78

37767.57

N-Acetylgalactosamine 4-sulphate

9033.61

8340.93

Naproxen

27625.29

15904.88

N-formylmethionine

9093.00

9153.88

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

14274.64

25323.18

n-Hexanoic Acid

3654.79

3382.41

NIMUSTINE

15856.07

16647.79

Normetanephrine glucuronide

9688.00

8803.00

O-Desmethylnaproxen

70182.11

17597.86

ORTHOTHYMOTINIC ACID

11096.25

4793.81

OSTHOL

9267.31

7017.90

OXOLINIC ACID

9925.88

9851.86

Oxymetholone

5040.89

5328.75

Panaxynol

9054.20

8770.25

Parahydroxyphenylacetic acid

5243.00

4928.64

Parahydroxyphenylacetic acid - 0.7270009

6039.79

8087.75

Parahydroxyphenylacetic acid - 1.0767124

5021.65

4704.87

Paraxanthine

96071.74

85198.48

PEUCEDANIN

14231.22

12338.57

PGB3

7732.68

4373.44

Phenol

73360.04

51638.89

Phenylalanine

53869.46

54811.93

Phenyl sulfate

311571.00

192628.57

Phthalic acid Mono-2-ethylhexyl Ester

6757.00

8295.08

Prednicarbate

5619.25

15478.90

Pregnanolone sulfate

116533.75

87664.82

Pregnenolone sulfate

28071.04

20095.08

Procarbazine

7335.77

5127.68

Procarbazine - 1.0658925

7226.95

5957.61

Proline

10226.52

14429.64

Pseudouridine

407666.32

374586.71

Pteridine

6698.59

7020.22

Purine

1197512.45

1348279.83

Purine - 0.85180575

296460.48

248801.73

Purine - 0.9651424

247184.67

216166.73

Purine - 1.9555072

741559.13

723620.86

Pyrocatechol

51979.61

39387.57

Pyrocatechol - 0.9365421

8299.27

8943.50

Pyrocatechol - 1.0253521

5461.30

8953.17

Pyrocatechol sulfate

141027.20

103598.40

PYROGALLIN

8002.87

6950.38

Pyroglutamic acid

7676.32

10646.79

Pyrrole-2-carboxylic acid

8165.64

6816.19

Pyruvic acid

18459.46

13276.95

Quinaldic acid

17846.30

10342.85

Rhodovibrin

9310.90

10475.24

Ribulose

17145.57

17627.19

Saccharin

9267.40

17747.69

SAPPANONE A 7-METHYL ETHER

12758.75

4857.33

Ser Asp Gly

27801.27

26269.96

Ser Phe Lys

4936.29

6242.12

Spheroidenone

12646.77

16809.27

Stearic acid

64390.71

40864.75

Succinic acid

35258.89

39013.46

Succinic anhydride

6754.67

7637.00

Sulfadoxine suflate

47850.78

59057.29

Sulfate

12856.61

8652.21

Sulfate - 0.96911985

19325.73

15280.85

Sulfisoxazole

15648.29

23612.57

Sulfite

22783.53

30149.50

Sulfolithocholic acid

11318.12

9162.72

Sulfolithocholylglycine

131649.96

164749.00

Taurine

7418.20

12016.29

Teasterone

230934.61

294678.79

TENIPOSIDE

5182.33

4019.12

Testosterone sulfate

15381.39

5883.06

Testosterone sulfate - 0.86699945

1094419.71

1424419.71

Tetracosanedioic acid

10400.76

12947.62

Tetranor Iloprost

3471.90

4421.91

Theobromine

24231.40

15536.62

Threonate

9937.60

7689.58

Thr Ile Gln

14995.79

32654.15

Traumatic acid

28704.76

20423.55

Tricosanedioic acid

5512.27

4939.56

Trihydroxycoprostanoic acid

174875.92

186181.70

Triparanol

6290.38

7307.82

Trp Gln Gln

12701.80

15542.75

Tryptophan

85572.39

78138.18

TUBAIC ACID

6648.22

7213.43

Tuberonic acid

8839.12

10864.18

Tyr Leu Arg

23108.81

31728.82

Uracil

16120.04

15369.67

Uric acid

79430.50

90066.54

Uridine

402615.07

353556.82

Valine

28692.43

42373.79

Xanthine

30400.64

30507.62

Xanthine - 1.9284873

43562.00

53074.32

Data for ST000421

Factors:

F1	treatment:ND
F2	treatment:T1D poor glycemic control