Metabolomics Workbench : NIH Data Repository : Analyze Studies

Metabolite structure	F1	F2
10-hydroxy capric acid	1185.20	3003.20
10-hydroxy capric acid - 8.75243	3303.20	4029.80
10-methyl-heptadecanoic acid	11580.93	25153.40
10-methyl-hexadecanoic acid	2291.87	4185.47
10-methyl-hexadecanoic acid - 14.706145	5691.67	11899.47
1-(13Z-docosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-s...	6289.07	12663.27
1-[[2-(2,3-dihydro-2-oxo-1H-indol-4-yl)ethyl]propylcarbamate...	3735.67	4749.73
1,2-di-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol	5350.93	12447.20
1,2-Glyceryl dinitrate glucuronide	3932.47	4703.33
12-methyl-10-oxo-tridecanoic acid	858.87	2058.33
13E,17-octadecadienoic acid	401929.00	1449750.93
13E,17-octadecadienoic acid - 13.561291	105363.47	35063.67
14-methyl-8E-hexadecenoic acid	2121.73	6981.87
15,16-epoxy-13-OH-9Z,11E-octadecadienoic acid	4689.07	5229.13
17a-Ethynylestradiol 16-glucuronide	8706.33	16850.00
18-hydroxy-9S,10R-epoxy-stearic acid	1920.47	5095.00
19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate	7088.47	16588.33
1alpha,25-dihydroxy-11alpha-phenylvitamin D3 / 1alpha,25-dih...	23642.47	25292.27
1alpha,25-dihydroxy-11alpha-phenylvitamin D3 / 1alpha,25-dih...	10081.00	21579.27
1alpha,25-dihydroxy-11alpha-phenylvitamin D3 / 1alpha,25-dih...	17115.67	23772.60
1alpha,25-dihydroxy-26,27-dimethyl-22-oxavitamin D3 / 1alpha...	8954.27	22858.00
1alpha,25-dihydroxy-26,27-dimethyl-22-oxavitamin D3 / 1alpha...	12584.73	19100.87
1alpha,25-dihydroxy-26,27-dimethyl-22-oxavitamin D3 / 1alpha...	12559.73	24622.00
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / 1al...	2689.20	5993.33
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / 1al...	2767.60	5250.07
1-Hydroxy-2-naphthoic acid	4500.20	3473.20
(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a,24b-dih...	24004.53	100529.40
2,3-Dichloro-4-(a-hydroxy-2-thenyl)phenoxyacetic acid	1912.80	1687.67
2,3-Dihydroxybenzoic acid	22064.40	18447.60
2,4-DINITROPHENOL	1288.33	2657.20
2-amino-4^-hydroxy-Propiophenone	48252.07	47180.47
2-Butanone, 4-[6-(sulfooxy)-2-naphthalenyl]-	3021.33	3693.93
2E,5Z,8Z,11Z,14Z-eicosapentaenoic acid	3543.87	6740.93
2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid	17671.47	22154.20
2-Hydroxyethinylestradiol	22646.27	12066.33
2-Hydroxyethinylestradiol - 10.039457	242348.27	219842.67
2-Hydroxyethinylestradiol - 10.153285	226755.00	225371.07
2-Hydroxyethinylestradiol - 10.202765	43865.07	52767.47
2-Hydroxyethinylestradiol - 10.31158	150852.27	145428.60
2-Hydroxyethinylestradiol - 13.500651	1402.80	6042.60
2-Hydroxyethinylestradiol - 14.172573	3221.73	5721.27
2-Hydroxyethinylestradiol - 14.242135	2573.07	8258.40
2-ISOPRENYL-3-HYDROXY-5-METHYL-a-PYRONE	3511.53	3360.13
2-methyl-tridecanedioic acid	978.93	2769.33
2-propyl-tridecanoic acid	2033.53	3281.80
2-propyl-tridecanoic acid - 14.184761	377590.33	733775.33
2-propyl-tridecanoic acid - 14.1904745	279093.47	72478.00
2-propyl-tridecanoic acid - 14.700806	8868.53	12626.53
3,9,15-Docosatriynoic acid	31930.13	57024.80
3alpha,4beta-dihydroxy-5beta-cholan-24-oic Acid	2525.73	3933.20
3alpha,4beta-dihydroxy-5beta-cholan-24-oic Acid - 13.006597	2052.20	5429.20
3beta,4beta-Dihydroxy-5beta-cholan-24-oic Acid	1305.00	2287.93
3-Hydroxy-2-methyl-[R-(R,S)]-butanoic acid	5632.60	6797.00
3-hydroxy-hexadecanoic acid	2000.00	2732.33
3-hydroxy-hexadecanoic acid - 12.85509	5055.93	7480.20
3-Methyl-2-oxovaleric acid	65557.73	73547.33
3-Methyl-2-oxovaleric acid - 3.878426	84482.87	92497.53
3-Methyl-2-oxovaleric acid - 5.345492	2637.40	9238.47
3-methyl-heptanoic acid	5100.33	4871.00
3-Methylindole	1437.93	2979.87
3-methyl-nonanoic acid	1318.93	3118.33
3-Methylpimelic acid	2422.07	2423.13
3-Methylsuberic acid	2755.53	10565.87
3-Methylsuberic acid - 5.7497506	11107.60	10702.33
3R-hydroxy-octanoic acid	1282.27	3051.60
3R-hydroxy-octanoic acid - 7.0250587	2162.13	2878.73
4,7,10,13,16-docosapentaenoic acid	4893.60	9645.87
4,7,10,13,16-docosapentaenoic acid - 13.672926	2947.13	7237.73
4,7,10,13-docosatetraenoic acid	2173.60	6147.73
4,8-dimethyl-dodecanoic acid	52770.53	81777.27
4^-Apo-3,4-didehydrolycopene/ (4-Apo-3^,4^-didehydrolycopene...	2906.80	6021.73
4-Hydroxybenzenesulfonic acid	120010.00	86049.67
4Z,7Z,10Z,13Z-eicosatetraenoic acid	42534.07	80745.27
5,11-Eicosadienoic acid	1090.60	5338.00
5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pentanoic aci...	24761.67	25646.73
5beta-Androstan-3alpha-ol-17-one sulfate	6110.20	11345.27
5beta-Androstan-3alpha-ol-17-one sulfate - 7.1633453	20738.67	31656.53
5beta-Androstan-3alpha-ol-17-one sulfate - 7.3562913	53320.20	63873.67
5beta-Androstan-3alpha-ol-17-one sulfate - 7.7987556	3220.93	4849.87
5-Methoxyindoleacetate	4812.87	5451.60
5-methyl-2E-tridecenoic acid	3955.20	8138.80
5-octadecylenic acid	474707.67	1307003.67
5Z,11Z,14Z-eicosatrienoic acid	1.00	6354.13
6b,11b,16a,17a,21-Pentahydroxypregna-1,4-diene-3,20-dione 16...	15812.00	15030.93
6b,11b,16a,17a,21-Pentahydroxypregna-1,4-diene-3,20-dione 16...	4302.73	5107.80
6b,11b,16a,17a,21-Pentahydroxypregna-1,4-diene-3,20-dione 16...	4253.07	4062.13
6-Hydroxynicotinic acid	6842.20	8828.13
7-hydroxy Tetranor Iloprost	1644.20	3540.67
7-palmitoleic acid	67466.47	156187.67
7-palmitoleic acid - 13.36762	12370.67	22989.80
9,12,14-octadecatrienoic acid	34278.40	119234.87
9,12,14-octadecatrienoic acid - 12.907056	11932.13	18442.93
9R-hydroxy-12E-octadecenoic acid	1185.13	4353.13
9R-hydroxy-12E-octadecenoic acid - 11.299293	1318.40	4495.67
9R-hydroxy-12E-octadecenoic acid - 12.092731	3854.00	3715.53
9R-hydroxy-12E-octadecenoic acid - 12.186865	3374.93	4717.80
9R-hydroxy-12E-octadecenoic acid - 12.346562	3488.93	3516.53
9R-hydroxy-12E-octadecenoic acid - 12.434561	4914.93	6056.33
Acetoacetic acid	20610.67	30997.73
a-hydroxybutyrate	13337.80	17658.47
a-hydroxyisovalerate	1664.20	19834.87
alpha-hydroxyisobutyrate	8482.93	26597.73
alpha-hydroxyisobutyrate - 2.2955024	9748.60	37779.40
Arg Ala Phe	15460.33	17669.60
Arg Asn Gln	11035.20	22749.33
Arg Phe Arg	4862.07	4377.67
Arg Phe Arg - 10.657936	25014.80	59008.33
Benzyl alcohol	76619.67	69256.33
beta-Alanine	2556.07	1157.07
Bilirubin	18175.67	51260.87
Biliverdin IX	2955.73	5239.20
B-ureidoisobutyric acid	12667.33	11579.53
BUTACAINE	8256.67	15581.27
Castasterone	1872.53	4840.07
Chloral hydrate	9934.67	8845.67
CITROPTEN	7522.73	7836.27
clavulone I	20228.93	18422.07
clavulone I - 10.785447	4653.87	4995.07
clavulone I - 10.858965	3780.27	3730.27
Creatinine	42716.40	47337.73
D1-2-Hydroxymethylethisterone	7324.60	7459.13
D1-2-Hydroxymethylethisterone - 11.059013	7458.67	6345.20
D1-2-Hydroxymethylethisterone - 11.200728	237356.67	244318.47
D1-2-Hydroxymethylethisterone - 11.317418	79828.73	67467.33
D1-2-Hydroxymethylethisterone - 11.361438	37800.93	28497.07
D1-2-Hydroxymethylethisterone - 11.482383	67508.87	61317.07
D1-2-Hydroxymethylethisterone - 13.49303	1994.80	7722.00
D1-2-Hydroxymethylethisterone - 14.157091	2572.00	4308.80
D1-2-Hydroxymethylethisterone - 14.2670965	2851.80	9545.00
desethyletomidate	3336.73	892.73
desmethylnortriptyline glucuronide	1428.73	338.27
Desmosine	9493.73	13730.80
Desmosine - 14.067394	9471.40	12254.80
D-Glucose	25198.60	15124.13
D-Homoserine	1794.87	2101.80
Dihydroxyacetone (glycerone)	247284.80	374891.60
Dihydroxyacetone (glycerone) - 1.1726536	576526.33	518210.07
DL-12-hydroxy stearic acid	2478.33	3307.80
DL-12-hydroxy stearic acid - 12.187582	6094.07	8055.47
DL-13-hydroxy stearic acid	3209.80	2838.87
DL-3-hydroxy caproic acid	1233.40	2253.93
docusate	3668.67	3595.07
Dodecanedioic acid	1269.67	3158.73
D-Phenyllactic acid	1326.73	3755.27
Ellagic acid	9016.13	8230.07
Embelin	157043.07	160196.87
Embelin - 13.117974	4162.87	5619.67
Embelin - 13.381417	5110.93	6443.60
Embelin - 13.56923	4818.67	13113.67
Embelin - 14.03012	11487.40	9514.47
Embelin - 14.221526	10591.13	14729.40
Embelin - 14.70403	7629.67	11883.80
Embelin - 9.613076	8124.13	8452.20
gamma-Hydroxyphenylbutazone glucuronide	4649.93	6410.47
Gemfibrozil M2	3481.73	5618.80
Gemfibrozil M2 - 11.328346	5792.20	5335.13
Gln Trp Gln	3193.67	6108.67
Glucoheptonic acid	2143.53	1823.20
Glu Tyr Thr	6377.67	5068.07
Glu Tyr Thr - 10.902022	3311.00	2202.00
glyceraldehyde	3359.80	1007.20
Glycolaldehyde	2354.87	3572.00
Glycolaldehyde - 0.89615333	889.67	3249.40
Glycolic acid	16975.60	11267.20
Glycoursodeoxycholic acid	23414.73	41179.60
Glycoursodeoxycholic acid - 8.816427	9990.07	22496.33
GPSer(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	4781.80	8262.40
Guaiacol	1104.20	2405.53
Gulonic acid	613.80	199.80
Hexacosanedioic acid	9078.00	14611.33
Hexadecanedioic acid	1772.60	3415.27
Hippuric acid	18464.20	24841.67
Histidine	3396.87	1844.80
Homoarginine	4731.80	2708.73
Idebenone Metabolite (Benzenedecanoic acid, 2,5-dihydroxy-3,...	4997.20	5236.20
Ile Trp Tyr	1560.20	2659.73
Indole	6905.67	6454.40
Indoxylsulfuric acid	50349.20	37620.53
Isoacitretin	6872.13	6413.40
Isoacitretin - 10.62412	406708.80	429533.93
Isoacitretin - 10.732019	162030.27	165258.80
Isoacitretin - 10.798786	26451.40	25188.07
Isoacitretin - 10.902054	151750.33	149757.60
Isoacitretin - 14.245813	2831.20	9407.27
Isoarachidic acid	5896.33	8687.33
Isoleucine	2297.07	1851.87
Isopentadecylic acid	3212.33	4746.47
Isopentadecylic acid - 13.64712	4014.60	7442.40
ISOPIMPINELLIN	15349.47	22897.67
Isoquinoline N-oxide	21194.00	29694.80
KOBUSONE	11285.40	11651.40
KOBUSONE - 11.034212	4905.60	4796.20
Lactate	17315.73	6898.13
Lauric acid	13890.93	22254.87
Leucine	15910.20	37018.80
Leucine - 2.2892022	9106.47	8368.07
Leu Tyr Met	8400.93	7918.13
L-Norleucine	23159.20	22033.80
Loroxanthin ester/ Loroxanthin dodecenoate	9965.33	18096.53
Lys Trp Arg	5510.47	6123.47
Methionine	2361.47	3223.53
Met His Lys	9050.07	9905.20
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-oc...	7557.13	7341.87
Methylglyoxal	12338.00	19812.13
Methylglyoxal - 1.1846838	4004.07	3766.80
Methyl jasmonate	2262.27	2100.53
Monensin	1723.73	2922.20
m-Salicylic acid	2714.47	19262.20
Murocholic acid	16298.13	20527.60
N-Acetylarylamine	16622.13	21253.60
N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine	12881.47	13324.73
NIMUSTINE	2569.33	2412.07
O-BENZYL-l-SERINE	10462.00	10454.80
O-Desmethylnaproxen	766.13	7733.07
O-Desmethylnaproxen - 2.3228056	4008.40	21741.40
OSTHOL	1950.07	6537.60
Panaxytriol	12711.67	11418.67
Panaxytriol - 11.984834	1870.00	3806.33
Parahydroxyphenylacetic acid	2475.53	3327.07
Penicillin G	2231.00	5017.00
Phe Arg Ser	23027.87	23405.87
Phenol	29335.87	21651.93
Phenol - 5.4432707	2266.13	11501.53
Phensuximide	2311.27	1134.67
Phe Pro Arg	10491.80	22896.87
p-HYDROXYCINNAMALDEHYDE	1621.07	1268.33
Pregnanolone sulfate	19374.00	26251.47
Pregnenolone sulfate	2940.60	4596.93
Procarbazine	6135.47	6127.93
Proline	13329.40	10922.07
PROTOVERATRINE B	4228.93	3986.27
Purine	263642.07	282777.93
Pyrocatechol	7902.60	13297.40
Pyrocatechol - 4.3859496	2588.27	2551.80
Pyrocatechol sulfate	29200.27	47882.60
Pyroglutamic acid	8498.93	10006.13
Pyruvic acid	1724.13	986.20
Pyruvic acid - 1.1770045	4998.27	4778.53
Sedoheptulose	2627.53	431.60
Sodium tetradecyl sulfate	11224.07	11900.27
Stearic acid	57319.60	73580.47
Stearic acid - 13.633164	3194.93	4542.00
Stearic acid - 14.151329	6843.53	7050.47
Sulfate	10661.60	9353.33
Teasterone	3502.27	9427.93
Testosterone sulfate	160945.07	252757.87
Tetrahydrofuran	32317.87	56417.93
TG(16:1(9Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	11835.87	13081.07
TG(16:1(9Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))[iso6] - 14...	9281.53	13117.00
TG(16:1(9Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))[iso6] - 14...	3800.93	6703.87
Thr Met Arg	2164.27	2994.53
thyrotropin releasing hormone	8549.60	9550.00
TRIDESACETOXYKHIVORIN	5714.13	4608.00
Tryptophan	122884.93	127487.33
Tyr Arg Leu	5392.07	8118.40
Tyrosine	2140.53	2669.67
Uric acid	254824.40	195968.47
Uridine	7745.07	10097.93
Valine	27714.93	27523.00

10-hydroxy capric acid

1185.20

3003.20

10-hydroxy capric acid - 8.75243

3303.20

4029.80

10-methyl-heptadecanoic acid

11580.93

25153.40

10-methyl-hexadecanoic acid

2291.87

4185.47

10-methyl-hexadecanoic acid - 14.706145

5691.67

11899.47

1-(13Z-docosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-s...

6289.07

12663.27

1-[[2-(2,3-dihydro-2-oxo-1H-indol-4-yl)ethyl]propylcarbamate...

3735.67

4749.73

1,2-di-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol

5350.93

12447.20

1,2-Glyceryl dinitrate glucuronide

3932.47

4703.33

12-methyl-10-oxo-tridecanoic acid

858.87

2058.33

13E,17-octadecadienoic acid

401929.00

1449750.93

13E,17-octadecadienoic acid - 13.561291

105363.47

35063.67

14-methyl-8E-hexadecenoic acid

2121.73

6981.87

15,16-epoxy-13-OH-9Z,11E-octadecadienoic acid

4689.07

5229.13

17a-Ethynylestradiol 16-glucuronide

8706.33

16850.00

18-hydroxy-9S,10R-epoxy-stearic acid

1920.47

5095.00

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

7088.47

16588.33

1alpha,25-dihydroxy-11alpha-phenylvitamin D3 / 1alpha,25-dih...

23642.47

25292.27

1alpha,25-dihydroxy-11alpha-phenylvitamin D3 / 1alpha,25-dih...

10081.00

21579.27

1alpha,25-dihydroxy-11alpha-phenylvitamin D3 / 1alpha,25-dih...

17115.67

23772.60

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

8954.27

22858.00

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

12584.73

19100.87

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

12559.73

24622.00

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

2689.20

5993.33

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

2767.60

5250.07

1-Hydroxy-2-naphthoic acid

4500.20

3473.20

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

24004.53

100529.40

2,3-Dichloro-4-(a-hydroxy-2-thenyl)phenoxyacetic acid

1912.80

1687.67

2,3-Dihydroxybenzoic acid

22064.40

18447.60

2,4-DINITROPHENOL

1288.33

2657.20

2-amino-4^-hydroxy-Propiophenone

48252.07

47180.47

2-Butanone, 4-[6-(sulfooxy)-2-naphthalenyl]-

3021.33

3693.93

2E,5Z,8Z,11Z,14Z-eicosapentaenoic acid

3543.87

6740.93

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

17671.47

22154.20

2-Hydroxyethinylestradiol

22646.27

12066.33

2-Hydroxyethinylestradiol - 10.039457

242348.27

219842.67

2-Hydroxyethinylestradiol - 10.153285

226755.00

225371.07

2-Hydroxyethinylestradiol - 10.202765

43865.07

52767.47

2-Hydroxyethinylestradiol - 10.31158

150852.27

145428.60

2-Hydroxyethinylestradiol - 13.500651

1402.80

6042.60

2-Hydroxyethinylestradiol - 14.172573

3221.73

5721.27

2-Hydroxyethinylestradiol - 14.242135

2573.07

8258.40

2-ISOPRENYL-3-HYDROXY-5-METHYL-a-PYRONE

3511.53

3360.13

2-methyl-tridecanedioic acid

978.93

2769.33

2-propyl-tridecanoic acid

2033.53

3281.80

2-propyl-tridecanoic acid - 14.184761

377590.33

733775.33

2-propyl-tridecanoic acid - 14.1904745

279093.47

72478.00

2-propyl-tridecanoic acid - 14.700806

8868.53

12626.53

3,9,15-Docosatriynoic acid

31930.13

57024.80

3alpha,4beta-dihydroxy-5beta-cholan-24-oic Acid

2525.73

3933.20

3alpha,4beta-dihydroxy-5beta-cholan-24-oic Acid - 13.006597

2052.20

5429.20

3beta,4beta-Dihydroxy-5beta-cholan-24-oic Acid

1305.00

2287.93

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

5632.60

6797.00

3-hydroxy-hexadecanoic acid

2000.00

2732.33

3-hydroxy-hexadecanoic acid - 12.85509

5055.93

7480.20

3-Methyl-2-oxovaleric acid

65557.73

73547.33

3-Methyl-2-oxovaleric acid - 3.878426

84482.87

92497.53

3-Methyl-2-oxovaleric acid - 5.345492

2637.40

9238.47

3-methyl-heptanoic acid

5100.33

4871.00

3-Methylindole

1437.93

2979.87

3-methyl-nonanoic acid

1318.93

3118.33

3-Methylpimelic acid

2422.07

2423.13

3-Methylsuberic acid

2755.53

10565.87

3-Methylsuberic acid - 5.7497506

11107.60

10702.33

3R-hydroxy-octanoic acid

1282.27

3051.60

3R-hydroxy-octanoic acid - 7.0250587

2162.13

2878.73

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

4893.60

9645.87

4,7,10,13,16-docosapentaenoic acid - 13.672926

2947.13

7237.73

4,7,10,13-docosatetraenoic acid

2173.60

6147.73

4,8-dimethyl-dodecanoic acid

52770.53

81777.27

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

2906.80

6021.73

4-Hydroxybenzenesulfonic acid

120010.00

86049.67

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

42534.07

80745.27

5,11-Eicosadienoic acid

1090.60

5338.00

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

24761.67

25646.73

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

6110.20

11345.27

5beta-Androstan-3alpha-ol-17-one sulfate - 7.1633453

20738.67

31656.53

5beta-Androstan-3alpha-ol-17-one sulfate - 7.3562913

53320.20

63873.67

5beta-Androstan-3alpha-ol-17-one sulfate - 7.7987556

3220.93

4849.87

5-Methoxyindoleacetate

4812.87

5451.60

5-methyl-2E-tridecenoic acid

3955.20

8138.80

5-octadecylenic acid

474707.67

1307003.67

5Z,11Z,14Z-eicosatrienoic acid

1.00

6354.13

6b,11b,16a,17a,21-Pentahydroxypregna-1,4-diene-3,20-dione 16...

15812.00

15030.93

6b,11b,16a,17a,21-Pentahydroxypregna-1,4-diene-3,20-dione 16...

4302.73

5107.80

6b,11b,16a,17a,21-Pentahydroxypregna-1,4-diene-3,20-dione 16...

4253.07

4062.13

6-Hydroxynicotinic acid

6842.20

8828.13

7-hydroxy Tetranor Iloprost

1644.20

3540.67

7-palmitoleic acid

67466.47

156187.67

7-palmitoleic acid - 13.36762

12370.67

22989.80

9,12,14-octadecatrienoic acid

34278.40

119234.87

9,12,14-octadecatrienoic acid - 12.907056

11932.13

18442.93

9R-hydroxy-12E-octadecenoic acid

1185.13

4353.13

9R-hydroxy-12E-octadecenoic acid - 11.299293

1318.40

4495.67

9R-hydroxy-12E-octadecenoic acid - 12.092731

3854.00

3715.53

9R-hydroxy-12E-octadecenoic acid - 12.186865

3374.93

4717.80

9R-hydroxy-12E-octadecenoic acid - 12.346562

3488.93

3516.53

9R-hydroxy-12E-octadecenoic acid - 12.434561

4914.93

6056.33

Acetoacetic acid

20610.67

30997.73

a-hydroxybutyrate

13337.80

17658.47

a-hydroxyisovalerate

1664.20

19834.87

alpha-hydroxyisobutyrate

8482.93

26597.73

alpha-hydroxyisobutyrate - 2.2955024

9748.60

37779.40

Arg Ala Phe

15460.33

17669.60

Arg Asn Gln

11035.20

22749.33

Arg Phe Arg

4862.07

4377.67

Arg Phe Arg - 10.657936

25014.80

59008.33

Benzyl alcohol

76619.67

69256.33

beta-Alanine

2556.07

1157.07

Bilirubin

18175.67

51260.87

Biliverdin IX

2955.73

5239.20

B-ureidoisobutyric acid

12667.33

11579.53

BUTACAINE

8256.67

15581.27

Castasterone

1872.53

4840.07

Chloral hydrate

9934.67

8845.67

CITROPTEN

7522.73

7836.27

clavulone I

20228.93

18422.07

clavulone I - 10.785447

4653.87

4995.07

clavulone I - 10.858965

3780.27

3730.27

Creatinine

42716.40

47337.73

D1-2-Hydroxymethylethisterone

7324.60

7459.13

D1-2-Hydroxymethylethisterone - 11.059013

7458.67

6345.20

D1-2-Hydroxymethylethisterone - 11.200728

237356.67

244318.47

D1-2-Hydroxymethylethisterone - 11.317418

79828.73

67467.33

D1-2-Hydroxymethylethisterone - 11.361438

37800.93

28497.07

D1-2-Hydroxymethylethisterone - 11.482383

67508.87

61317.07

D1-2-Hydroxymethylethisterone - 13.49303

1994.80

7722.00

D1-2-Hydroxymethylethisterone - 14.157091

2572.00

4308.80

D1-2-Hydroxymethylethisterone - 14.2670965

2851.80

9545.00

desethyletomidate

3336.73

892.73

desmethylnortriptyline glucuronide

1428.73

338.27

Desmosine

9493.73

13730.80

Desmosine - 14.067394

9471.40

12254.80

D-Glucose

25198.60

15124.13

D-Homoserine

1794.87

2101.80

Dihydroxyacetone (glycerone)

247284.80

374891.60

Dihydroxyacetone (glycerone) - 1.1726536

576526.33

518210.07

DL-12-hydroxy stearic acid

2478.33

3307.80

DL-12-hydroxy stearic acid - 12.187582

6094.07

8055.47

DL-13-hydroxy stearic acid

3209.80

2838.87

DL-3-hydroxy caproic acid

1233.40

2253.93

docusate

3668.67

3595.07

Dodecanedioic acid

1269.67

3158.73

D-Phenyllactic acid

1326.73

3755.27

Ellagic acid

9016.13

8230.07

Embelin

157043.07

160196.87

Embelin - 13.117974

4162.87

5619.67

Embelin - 13.381417

5110.93

6443.60

Embelin - 13.56923

4818.67

13113.67

Embelin - 14.03012

11487.40

9514.47

Embelin - 14.221526

10591.13

14729.40

Embelin - 14.70403

7629.67

11883.80

Embelin - 9.613076

8124.13

8452.20

gamma-Hydroxyphenylbutazone glucuronide

4649.93

6410.47

Gemfibrozil M2

3481.73

5618.80

Gemfibrozil M2 - 11.328346

5792.20

5335.13

Gln Trp Gln

3193.67

6108.67

Glucoheptonic acid

2143.53

1823.20

Glu Tyr Thr

6377.67

5068.07

Glu Tyr Thr - 10.902022

3311.00

2202.00

glyceraldehyde

3359.80

1007.20

Glycolaldehyde

2354.87

3572.00

Glycolaldehyde - 0.89615333

889.67

3249.40

Glycolic acid

16975.60

11267.20

Glycoursodeoxycholic acid

23414.73

41179.60

Glycoursodeoxycholic acid - 8.816427

9990.07

22496.33

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

4781.80

8262.40

Guaiacol

1104.20

2405.53

Gulonic acid

613.80

199.80

Hexacosanedioic acid

9078.00

14611.33

Hexadecanedioic acid

1772.60

3415.27

Hippuric acid

18464.20

24841.67

Histidine

3396.87

1844.80

Homoarginine

4731.80

2708.73

Idebenone Metabolite (Benzenedecanoic acid, 2,5-dihydroxy-3,...

4997.20

5236.20

Ile Trp Tyr

1560.20

2659.73

Indole

6905.67

6454.40

Indoxylsulfuric acid

50349.20

37620.53

Isoacitretin

6872.13

6413.40

Isoacitretin - 10.62412

406708.80

429533.93

Isoacitretin - 10.732019

162030.27

165258.80

Isoacitretin - 10.798786

26451.40

25188.07

Isoacitretin - 10.902054

151750.33

149757.60

Isoacitretin - 14.245813

2831.20

9407.27

Isoarachidic acid

5896.33

8687.33

Isoleucine

2297.07

1851.87

Isopentadecylic acid

3212.33

4746.47

Isopentadecylic acid - 13.64712

4014.60

7442.40

ISOPIMPINELLIN

15349.47

22897.67

Isoquinoline N-oxide

21194.00

29694.80

KOBUSONE

11285.40

11651.40

KOBUSONE - 11.034212

4905.60

4796.20

Lactate

17315.73

6898.13

Lauric acid

13890.93

22254.87

Leucine

15910.20

37018.80

Leucine - 2.2892022

9106.47

8368.07

Leu Tyr Met

8400.93

7918.13

L-Norleucine

23159.20

22033.80

Loroxanthin ester/ Loroxanthin dodecenoate

9965.33

18096.53

Lys Trp Arg

5510.47

6123.47

Methionine

2361.47

3223.53

Met His Lys

9050.07

9905.20

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

7557.13

7341.87

Methylglyoxal

12338.00

19812.13

Methylglyoxal - 1.1846838

4004.07

3766.80

Methyl jasmonate

2262.27

2100.53

Monensin

1723.73

2922.20

m-Salicylic acid

2714.47

19262.20

Murocholic acid

16298.13

20527.60

N-Acetylarylamine

16622.13

21253.60

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

12881.47

13324.73

NIMUSTINE

2569.33

2412.07

O-BENZYL-l-SERINE

10462.00

10454.80

O-Desmethylnaproxen

766.13

7733.07

O-Desmethylnaproxen - 2.3228056

4008.40

21741.40

OSTHOL

1950.07

6537.60

Panaxytriol

12711.67

11418.67

Panaxytriol - 11.984834

1870.00

3806.33

Parahydroxyphenylacetic acid

2475.53

3327.07

Penicillin G

2231.00

5017.00

Phe Arg Ser

23027.87

23405.87

Phenol

29335.87

21651.93

Phenol - 5.4432707

2266.13

11501.53

Phensuximide

2311.27

1134.67

Phe Pro Arg

10491.80

22896.87

p-HYDROXYCINNAMALDEHYDE

1621.07

1268.33

Pregnanolone sulfate

19374.00

26251.47

Pregnenolone sulfate

2940.60

4596.93

Procarbazine

6135.47

6127.93

Proline

13329.40

10922.07

PROTOVERATRINE B

4228.93

3986.27

Purine

263642.07

282777.93

Pyrocatechol

7902.60

13297.40

Pyrocatechol - 4.3859496

2588.27

2551.80

Pyrocatechol sulfate

29200.27

47882.60

Pyroglutamic acid

8498.93

10006.13

Pyruvic acid

1724.13

986.20

Pyruvic acid - 1.1770045

4998.27

4778.53

Sedoheptulose

2627.53

431.60

Sodium tetradecyl sulfate

11224.07

11900.27

Stearic acid

57319.60

73580.47

Stearic acid - 13.633164

3194.93

4542.00

Stearic acid - 14.151329

6843.53

7050.47

Sulfate

10661.60

9353.33

Teasterone

3502.27

9427.93

Testosterone sulfate

160945.07

252757.87

Tetrahydrofuran

32317.87

56417.93

TG(16:1(9Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))[iso6]

11835.87

13081.07

TG(16:1(9Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))[iso6] - 14...

9281.53

13117.00

TG(16:1(9Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))[iso6] - 14...

3800.93

6703.87

Thr Met Arg

2164.27

2994.53

thyrotropin releasing hormone

8549.60

9550.00

TRIDESACETOXYKHIVORIN

5714.13

4608.00

Tryptophan

122884.93

127487.33

Tyr Arg Leu

5392.07

8118.40

Tyrosine

2140.53

2669.67

Uric acid

254824.40

195968.47

Uridine

7745.07

10097.93

Valine

27714.93

27523.00

Data for ST000422

Factors:

F1	treatment:ND
F2	treatment:T1D good glycemic control