Metabolomics Workbench : NIH Data Repository : Analyze Studies

Metabolite structure	F1	F2	F3
1,1-DIMETHYLPYRROLIDIN-1-IUM-2-CARBOXYLATE	417609600.00	257736112.00
1-(2,4-DIMETHYLPHENYL)-3-PROPYL-THIOUREA	22541048.00	6756652.00
1-(2,6-DIMETHYLPHENYL)-3-ETHYL-THIOUREA	1002949.00	1048296.00
1-(2-HYDROXY-4,5-DIMETHYL-PHENYL)ETHANONE	52684504.00	113658.00
1-(4-PIPERIDYL)ETHANOL	624094.00	360688.00
1-AMYLINDOLE-3-CARBOXYLIC ACID	10362940.00	3476684.00
1-(BUTYLAMINO)-3-PHENOXY-PROPAN-2-OL	3558362.00	146583.00
1-DIPHENYLPHOSPHORYLCYCLOBUTANECARBOXYLIC ACID	33927524.00	3807781.00
1-ETHYLPIPERAZINE	398209.00	248395.00
[1-METHYL-2-(P-TOLYL)ETHYL]AMINE	712174.00	154009.00
1-METHYL-4-(1-METHYLPYRROLIDIN-2-YL)-9H-BETA-CARBOLINE	3781454.00	11508.00
1-METHYLADENOSINE	124913368.00	93519872.00
1-METHYL NICOTINAMIDE	901723392.00	689520000.00
1-PHENYL-2-(PROPYLAMINO)PENTAN-1-ONE	3442756.00	103008.00
1-PHENYLHEX-1-YN-3-OL	7822643.00	38412.00
(1R,3AR,8S,8AS)-1-ISOPROPYL-3A,6-DIMETHYL-2,3,4,7,8,8A-HEXAH...	13016669.00	312845.00
(1R,5R)-6-HYDROXY-8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-ONE	7149789.00	2801808.00
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-OXIDANYLPROPOXY)PROPOXY]PROPOXY...	81722760.00	7755807.00
2-[2-(2-BUTOXYETHOXY)ETHOXY]ETHANOL	60885784.00	97435248.00
2-(2,6-DIMETHYLMORPHOLINO)ETHANOL	83592344.00	39077536.00
2-(2-AMINO-3-METHYLBUTANAMIDO)-3-PHENYLPROPANOIC ACID	154708800.00	39922332.00
2-[(2-AMMONIOACETYL)AMINO]HEXANOATE	132315520.00	128380712.00
2,2-DIMETHYL-3-(2-METHYLPROP-1-ENYL)CYCLOPROPANECARBOXYLIC A...	12138203.00	345493.00
2,2-DIMETHYLPIPERAZINE	53126800.00	28004924.00
2-(2-ETHYLPHENYL)ACETONITRILE	6037225.00	1099088.00
2-(2-METHYLCOUMARAN-5-YL)ACETIC ACID	10621900.00	365451.00
2,3,4,5-TETRAHYDRO-1-BENZOXEPIN-3-ONE	3230215.00	2245799.00
2,3,4,5-TETRAHYDRO-1H-2-BENZAZEPINE	146005024.00	1378860.00
2,3-DIMETHYL-4-NITRO-1-OXIDO-PYRIDIN-1-IUM	6830558.00	377401.00
2-[3-(LAUROYLAMINO)PROPYL-DIMETHYL-AMMONIO]ACETATE	3815416.00	593825.00
2,4-DITERT-BUTYL-6-[(DIMETHYLAMINO)METHYL]PHENOL	35113844.00	156578.00
2,6-DIAMINO-4-(PIPERIDIN-1-YL)PYRIMIDIN-1-IUM-1-OLATE	364883.00	708975.00
2,6-DIMETHYL-4-(METHYLTHIO)PHENOL	54614944.00	676788.00
2,6-DITERT-BUTYL-4-(MORPHOLINOMETHYL)PHENOL	35470316.00	71384.00
2-ACETAMIDO-2-DEOXY-D-GALACTITOL	6347537.00	22280046.00
(2-AMINO-1,1-DIMETHYL-ETHYL)AMINE	461985.00	678088.00
2-AMINO-9-[(2S,5S)-3,4-DIHYDROXY-5-METHYLOL-TETRAHYDROFURAN-...	262139536.00	178493968.00
2-AMINOETHYL-[2-[4-(2-AMINOETHYL)PIPERAZINO]ETHYL]AMINE	1080281.00	1103025.00
2-AZANIUMYL-3-(1-METHYL-1H-IMIDAZOL-5-YL)PROPANOATE	25411610.00	25657956.00
2-BENZAMIDO-4,5,6,7-TETRAHYDROBENZOTHIOPHENE-3-CARBOXYLIC AC...	27601338.00	321685.00
2-BENZYLMALONIC ACID DIETHYL ESTER	5458230.00	11013.00
2-CHLORO-1-PHENOTHIAZIN-10-YL-PROPAN-1-ONE	4921271.00	108437.00
2-(DIBENZYLCARBAMOYL)BENZOIC ACID	291956576.00	1224130.00
2-(DIETHYLAMINO)ETHAN-1-OL	203694640.00	891278592.00
2-DIPHENYLPHOSPHORYLHYDROQUINONE	40662108.00	977180.00
2-DIPHENYLPHOSPHORYL-N-ETHYL-ACETAMIDE	59772768.00	2582011.00
(2E,6E,11E)-18-[2,6-BIS(OXIDANYLIDENE)PIPERIDIN-4-YL]-8-METH...	8741514.00	668541.00
2-(ETHYLAMINO)-1-PHENYL-PENTAN-1-ONE	861414.00	3476684.00
2-HYDROXYQUINOLINE	6067473.00	3150680.00
(2-METHYL-3,4-DIHYDRO-1H-ISOQUINOLIN-5-YL)AMINE	73775.00	1628584.00
2-(O-TOLYL)AZEPANE	146005024.00	1378860.00
[(2R)-2-(METHYLCARBAMOYLOXY)-3-OCTOXY-PROPYL] 2-(TRIMETHYLAM...	404073600.00	404444416.00
(2R,3R,5S)-2-(6-AMINO-9H-PURIN-9-YL)-5-(HYDROXYMETHYL)OXOLAN...	353236320.00	268993504.00
(2R)-7,13-DIAZATETRACYCLO[7.7.1.02,7.013,17]HEPTADEC-4-EN-6-...	2360334.00	323634.00
(2S)-2-{[(2S)-2-AMINO-1-HYDROXYPROPYLIDENE]AMINO}-4-(C-HYDRO...	10875370.00	9662519.00
(2S,3R)-2-AMINO-3-HYDROXY-BUTYRAMIDE	41150176.00	39925756.00
(2S,3R,4S,5R)-2-ADENIN-9-YL-5-METHYLOL-TETRAHYDROFURAN-3,4-D...	3149217280.00	2408891904.00
(2S,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-[[(3S,5S,8R,9S,10S,13S,1...	3150556.00	9210.00
2-(TRIBROMOMETHYLSULFONYL)PYRIDINE	18098464.00	9430118.00
3-(1H-INDOL-3-YL)-2-(TRIMETHYLAMMONIO)PROPIONATE	68941720.00	51055768.00
3-(1-HYDROXY-4-METHYL-PENTYL)-5-METHYLOL-TETRAHYDROFURAN-2-O...	3443769.00	21833.00
3-[(2,4-DIHYDROXY-3,3-DIMETHYL-BUTANOYL)AMINO]PROPANOIC ACID	367968992.00	396383616.00
3-(2-HYDROXYPHENYL)PROPANOIC ACID	2385903.00	1262797.00
3,4-DIMETHYLBESYLIC ACID	146005024.00	1378860.00
3,6,9,12,15-PENTAOXATRICOSAN-1-OL	32408154.00	2040278.00
3-AMINO-2-METHYL-N-THIAZOL-2-YL-BENZAMIDE	41750540.00	74391.00
3-AMINOHEXANOIC ACID	132424632.00	128372256.00
3-CHLORO-5,5-DIKETO-6-METHYL-BENZO[C][2,1]BENZOTHIAZEPIN-11-...	3478353.00	411845.00
3-CYCLOHEXYL-1,1-DIMETHYL-UREA	126544928.00	55986448.00
3-DIPHENYLPHOSPHORYLPROPIONIC ACID	12872834.00	1480530.00
3-METHOXY-2-(3-METHYLBUT-2-ENYL)-5-PHENETHYL-PHENOL	7201581.00	137253.00
(3R)-3-[(2-METHYLPROPANOYL)OXY]-4-(TRIMETHYLAZANIUMYL)BUTANO...	199868944.00	169003520.00
(3R)-3-(ACETYLOXY)-4-(TRIMETHYLAZANIUMYL)BUTANOATE	398293504.00	196078304.00
(3R,5R,6S,7S,9R,11E,13S,14R)-6-[(3R,4S,6R)-4-(DIMETHYLAMINO)...	182867072.00	108776216.00
(3R,5R,8R,9S,10S,13S,14S,17S)-10,13,17-TRIMETHYL-1,2,3,4,5,6...	93138520.00	5482650.00
(3R,7S,8R,9S,10S,13S,14S,17S)-7,10,13,17-TETRAMETHYL-1,2,3,4...	30120158.00	105507.00
(3S,4AR,6AR,6BS,8AS,12AS,14AR,14BR)-8A-(HYDROXYMETHYL)-4,4,6...	114613976.00	984880.00
(3S,5R)-3-(METHYLAMINO)-2,3,4,5-TETRAHYDRO-1-BENZOXEPIN-5-OL	883705.00	242097.00
(3Z)-HEX-3-EN-1-YL (2E)-2-METHYLBUT-2-ENOATE	251793584.00	153963296.00
4-({[1-(2-AMINOPHENYL)-3-METHYLBUTYL]-C-HYDROXYCARBONIMIDOYL...	41750540.00	74391.00
4-[(2-CHLOROACETYL)AMINO]BENZOIC ACID ISOPROPYL ESTER	3485262.00	377401.00
4-(4-BROMOPHENYL)-2,5-DIMETHYL-THIAZOLE	12593674.00	149157.00
4-ACETAMIDOBUTANOIC ACID	26942934.00	29333922.00
4-[ACETYL(METHYL)AMINO]BENZOIC ACID	62856500.00	54854068.00
4-AMINO-1-[(2S,4S,5R)-4-HYDROXY-5-METHYLOL-TETRAHYDROFURAN-2...	2360482048.00	2527606016.00
4-AMINO-2-METHYL-BENZAMIDE	6012082.00	120201.00
4-AMINOBUTYRIC ACID ETHYL ESTER	391340.00	712266.00
[4-(AMINOMETHYL)PHENYL]METHANOL	185026720.00	47644732.00
4-KETO-6-METHYL-1H-PYRIDINE-3-CARBOXYLIC ACID	686781632.00	370626720.00
(4-METHYL-2,3,4,5-TETRAHYDROPYRIDIN-6-YL)AMINE	27114498.00	6065968.00
4-(METHYLAMINO)-1-(3-PYRIDYL)BUTAN-1-OL	2539989.00	5152669.00
(4S,5R,6R,7S,8R)-4,6,7,8,9-PENTAHYDROXY-5-[(1-HYDROXYETHYLID...	44338884.00	44655856.00
4-TERT-BUTYL-N-ISOPROPYL-BENZAMIDE	24329120.00	103080.00
5-(2-AMINOETHYL)-2-METHOXYPHENOL	28484086.00	9755963.00
5-(2-HYDROXYETHYL)-4-METHYLTHIAZOLE	25534708.00	12298152.00
5-AMINOHEXYLAMINE	5004159.00	1406299.00
5-CYCLOPROPYLISOXAZOLE-3-CARBOXYLIC ACID METHYL ESTER	69007920.00	35313760.00
5-DIPHENYLPHOSPHORYLVALERIC ACID	8543453.00	2014616.00
5-METHYLCYTOSINE	233452192.00	209194560.00
5^-METHYLTHIOADENOSINE	12341302.00	55039.00
6,8,9-TRIBENZOXY-2,4,10-TRIOXATRICYCLO[3.3.1.13,7]DECANE	13943829.00	25180.00
6-AMINO-1-BENZYL-PYRIMIDINE-2,4-QUINONE	10360284.00	3476684.00
6-METHOXY-1H-BENZIMIDAZOLE-2-CARBOXYLIC ACID	38161864.00	3743799.00
[7,7,12,16-TETRAMETHYL-15-(6-METHYLHEPT-5-EN-2-YL)-6-PENTACY...	30120158.00	105507.00
7-METHYLGUANINE	262283504.00	178879664.00
7-OXABICYCLO[4.1.0]HEPTANE-3-CARBOXYLIC ACID 7-OXABICYCLO[4....	13966336.00	98803.00
8-HYDROXY-2,10,10-TRIMETHYL-TRICYCLO[6.3.0.01,5]UNDEC-6-ENE-...	4626491.00	1873387.00
(9Z,14Z)-12,13,16-TRIHYDROXYOCTADECA-9,14-DIENOIC ACID METHY...	7914464.00	1304866.00
ACETIC ACID [(1S,3R)-1-[(2R)-3,3-DIMETHYLOXIRAN-2-YL]-3-[(5R...	19342330.00	181156.00
ACETIC ACID (5^,7,9,13-TETRAMETHYLSPIRO[5-OXAPENTACYCLO[10.8...	114541192.00	234297.00
ACEXAMIC ACID	688020608.00	72716824.00
ADENINE	43841788.00	19718258.00
ADIPIC ACID DIHEXYL ESTER	566833088.00	424701216.00
ARGININE	598339904.00	617039360.00
BENALAXYL	1073831.00	157000.00
CAR(3:0)	235853456.00	222127616.00
CAR(4:0(3ME))	135880272.00	108154328.00
CAR(6:0)	20575780.00	31577612.00
CARNOSINE	75661808.00	60921572.00
CATHINONE	250712.00	1628584.00
CITRULLINE	12339621.00	10965788.00
CREATINE	111962592.00	106090480.00
CREATININE	277125824.00	208255296.00
CYCLOHEXYL-(2-NITROPHENYL)AMINE	27582044.00	31451240.00
CYTOSINE	2343411200.00	2430604288.00
D-ASPARAGINE	15427777.00	15174262.00
DECAMETHYL-1,3,5,7,9,2,4,6,8,10-PENTAOXAPENTASILECANE	41049584.00	4470473.00
DEOXYADENOSINE	33157022.00	10912478.00
D-GLUTAMINE	1812262528.00	1722776960.00
DICYCLOHEXYLAMINE	47615628.00	506769.00
DIETHYLHEXYL ADIPATE	17841232.00	638650.00
DL-THREONINE	23400562.00	21807546.00
(E)-3,10-DIHYDROXY-4,9-DIMETHYL-DODEC-6-ENEDIOIC ACID	8843254.00	1608190.00
(E)-3-[(1R,4S,7R,7AR)-1-HYDROXY-3,7-DIMETHYL-2,4,5,6,7,7A-HE...	1584542.00	325091.00
(E)-3-PHENYLACRYLIC ACID (10-HYDROXY-9-ISOPROPYL-1,6-DIMETHY...	9328578.00	185914.00
EDETIC ACID	22093592.00	25173442.00
GLUTAMIC ACID	7077329.00	7090517.00
HEXAETHYLENE GLYCOL	167281216.00	6155131.00
HISTIDINE	135521904.00	127674944.00
HORDENINE	6178664.00	189377.00
HYPOXANTHINE	3325436672.00	3841671680.00
INDAN-2-YLAMINE	5503245.00	133981.00
INOSINE	116369488.00	35532048.00
L-METHIONINE S-OXIDE	4351524.00	4600374.00
LYSINE	249150448.00	464295456.00
METHYL(1-PHENYLETHYL)AMINE	3190842.00	202685.00
METHYL[(3E)-4-(PYRIDIN-3-YL)BUT-3-EN-1-YL]AMINE	10360284.00	3476684.00
N-(1-ADAMANTYL)-1-AMYL-INDOLE-3-CARBOXAMIDE	13966336.00	98803.00
N1-METHYL-2-PYRIDONE-5-CARBOXAMIDE	15836892.00	370608352.00
N-(4-METHOXY-2-NITRO-PHENYL)ISONICOTINAMIDE	89232888.00	27739518.00
N-ACETYLARGININE	101993408.00	93749288.00
N-ACETYL-BETA-ALANINE	45882164.00	67174256.00
N-ACETYLORNITHINE	11745567.00	11057631.00
N-ACETYLTHREONINE	93091984.00	85125304.00
NICOFIBRATE	18098700.00	9424967.00
NICOTINAMIDE RIBOSIDE	1277213696.00	390691520.00
N-METHYLISOLEUCINE	5751.00	5751.00
~{N}-METHYLOLNICOTINAMIDE	1276524544.00	390550112.00
N,N-BIS(2-HYDROXYETHYL)DODECANAMIDE	680906.00	1854239.00
N,N-BIS(PHENYLMETHYL)-N^-PROP-2-ENYLCARBAMIMIDOTHIOIC ACID	291753216.00	1224130.00
N,N^-BIS(P-TOLYL)MALONAMIDE	8084574.00	553682.00
N-NITROSOMETHYLETHYLAMINE	7533441.00	175682.00
N-PHENYLCARBAMIC ACID [2-(ETHYLAMINO)-2-KETO-1-METHYL-ETHYL]...	33739984.00	13195242.00
ONDANSETRON	7142992.00	200896.00
ORNITHINE	12756452.00	8583536.00
PENTAETHYLENE GLYCOL	295055040.00	13996231.00
PHENACYL(TRIPHENYL)PHOSPHONIUM	23571512.00	28669032.00
PHENYLALANINE	154708800.00	39922332.00
PILOCARPINE	13120826.00	2830232.00
PPG.3	42696692.00	18904092.00
PRAMOCAINE	6437363.00	2233329.00
PYRIDOXAL	241621792.00	149479696.00
QUINOLIN-4-OL	21303270.00	3148924.00
SERINE	19623156.00	18473834.00
SKF 91581	10516880.00	3017203.00
SN-GLYCERO-3-PHOSPHOCHOLINE	239784912.00	220119328.00
SPERMINE	114882.00	114882.00
SPHINGANINE	1127807.00	803468.00
TERT-BUTYL 2-OXOPIPERIDINE-1-CARBOXYLATE	198579440.00	2948393.00
TETRAETHYLENE GLYCOL	339204512.00	54213980.00
THIAMINE	119894208.00	57377608.00
TRIGONELLINE	150864352.00	1221081.00
TRIPHENYL PHOSPHATE	11800492.00	20240208.00
TRIPHENYLPHOSPHINE	35378268.00	1290774.00
TRIS(2-BUTOXYETHYL) PHOSPHATE	61161288.00	311519.00
TRYPTOPHAN	26075222.00	18342922.00
UROCANIC ACID	54986684.00	80886376.00
VINYLPYRAZINE	52958316.00	27889124.00
(Z)-2-OCTYLPENT-2-ENEDIOIC ACID	3236602.00	2245799.00

1,1-DIMETHYLPYRROLIDIN-1-IUM-2-CARBOXYLATE

417609600.00

257736112.00

1-(2,4-DIMETHYLPHENYL)-3-PROPYL-THIOUREA

22541048.00

6756652.00

1-(2,6-DIMETHYLPHENYL)-3-ETHYL-THIOUREA

1002949.00

1048296.00

1-(2-HYDROXY-4,5-DIMETHYL-PHENYL)ETHANONE

52684504.00

113658.00

1-(4-PIPERIDYL)ETHANOL

624094.00

360688.00

1-AMYLINDOLE-3-CARBOXYLIC ACID

10362940.00

3476684.00

1-(BUTYLAMINO)-3-PHENOXY-PROPAN-2-OL

3558362.00

146583.00

1-DIPHENYLPHOSPHORYLCYCLOBUTANECARBOXYLIC ACID

33927524.00

3807781.00

1-ETHYLPIPERAZINE

398209.00

248395.00

[1-METHYL-2-(P-TOLYL)ETHYL]AMINE

712174.00

154009.00

1-METHYL-4-(1-METHYLPYRROLIDIN-2-YL)-9H-BETA-CARBOLINE

3781454.00

11508.00

1-METHYLADENOSINE

124913368.00

93519872.00

1-METHYL NICOTINAMIDE

901723392.00

689520000.00

1-PHENYL-2-(PROPYLAMINO)PENTAN-1-ONE

3442756.00

103008.00

1-PHENYLHEX-1-YN-3-OL

7822643.00

38412.00

(1R,3AR,8S,8AS)-1-ISOPROPYL-3A,6-DIMETHYL-2,3,4,7,8,8A-HEXAH...

13016669.00

312845.00

(1R,5R)-6-HYDROXY-8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-ONE

7149789.00

2801808.00

2-[2-[2-[2-[2-[2-[2-[2-[2-(2-OXIDANYLPROPOXY)PROPOXY]PROPOXY...

81722760.00

7755807.00

2-[2-(2-BUTOXYETHOXY)ETHOXY]ETHANOL

60885784.00

97435248.00

2-(2,6-DIMETHYLMORPHOLINO)ETHANOL

83592344.00

39077536.00

2-(2-AMINO-3-METHYLBUTANAMIDO)-3-PHENYLPROPANOIC ACID

154708800.00

39922332.00

2-[(2-AMMONIOACETYL)AMINO]HEXANOATE

132315520.00

128380712.00

2,2-DIMETHYL-3-(2-METHYLPROP-1-ENYL)CYCLOPROPANECARBOXYLIC A...

12138203.00

345493.00

2,2-DIMETHYLPIPERAZINE

53126800.00

28004924.00

2-(2-ETHYLPHENYL)ACETONITRILE

6037225.00

1099088.00

2-(2-METHYLCOUMARAN-5-YL)ACETIC ACID

10621900.00

365451.00

2,3,4,5-TETRAHYDRO-1-BENZOXEPIN-3-ONE

3230215.00

2245799.00

2,3,4,5-TETRAHYDRO-1H-2-BENZAZEPINE

146005024.00

1378860.00

2,3-DIMETHYL-4-NITRO-1-OXIDO-PYRIDIN-1-IUM

6830558.00

377401.00

2-[3-(LAUROYLAMINO)PROPYL-DIMETHYL-AMMONIO]ACETATE

3815416.00

593825.00

2,4-DITERT-BUTYL-6-[(DIMETHYLAMINO)METHYL]PHENOL

35113844.00

156578.00

2,6-DIAMINO-4-(PIPERIDIN-1-YL)PYRIMIDIN-1-IUM-1-OLATE

364883.00

708975.00

2,6-DIMETHYL-4-(METHYLTHIO)PHENOL

54614944.00

676788.00

2,6-DITERT-BUTYL-4-(MORPHOLINOMETHYL)PHENOL

35470316.00

71384.00

2-ACETAMIDO-2-DEOXY-D-GALACTITOL

6347537.00

22280046.00

(2-AMINO-1,1-DIMETHYL-ETHYL)AMINE

461985.00

678088.00

2-AMINO-9-[(2S,5S)-3,4-DIHYDROXY-5-METHYLOL-TETRAHYDROFURAN-...

262139536.00

178493968.00

2-AMINOETHYL-[2-[4-(2-AMINOETHYL)PIPERAZINO]ETHYL]AMINE

1080281.00

1103025.00

2-AZANIUMYL-3-(1-METHYL-1H-IMIDAZOL-5-YL)PROPANOATE

25411610.00

25657956.00

2-BENZAMIDO-4,5,6,7-TETRAHYDROBENZOTHIOPHENE-3-CARBOXYLIC AC...

27601338.00

321685.00

2-BENZYLMALONIC ACID DIETHYL ESTER

5458230.00

11013.00

2-CHLORO-1-PHENOTHIAZIN-10-YL-PROPAN-1-ONE

4921271.00

108437.00

2-(DIBENZYLCARBAMOYL)BENZOIC ACID

291956576.00

1224130.00

2-(DIETHYLAMINO)ETHAN-1-OL

203694640.00

891278592.00

2-DIPHENYLPHOSPHORYLHYDROQUINONE

40662108.00

977180.00

2-DIPHENYLPHOSPHORYL-N-ETHYL-ACETAMIDE

59772768.00

2582011.00

(2E,6E,11E)-18-[2,6-BIS(OXIDANYLIDENE)PIPERIDIN-4-YL]-8-METH...

8741514.00

668541.00

2-(ETHYLAMINO)-1-PHENYL-PENTAN-1-ONE

861414.00

3476684.00

2-HYDROXYQUINOLINE

6067473.00

3150680.00

(2-METHYL-3,4-DIHYDRO-1H-ISOQUINOLIN-5-YL)AMINE

73775.00

1628584.00

2-(O-TOLYL)AZEPANE

146005024.00

1378860.00

[(2R)-2-(METHYLCARBAMOYLOXY)-3-OCTOXY-PROPYL] 2-(TRIMETHYLAM...

404073600.00

404444416.00

(2R,3R,5S)-2-(6-AMINO-9H-PURIN-9-YL)-5-(HYDROXYMETHYL)OXOLAN...

353236320.00

268993504.00

(2R)-7,13-DIAZATETRACYCLO[7.7.1.02,7.013,17]HEPTADEC-4-EN-6-...

2360334.00

323634.00

(2S)-2-{[(2S)-2-AMINO-1-HYDROXYPROPYLIDENE]AMINO}-4-(C-HYDRO...

10875370.00

9662519.00

(2S,3R)-2-AMINO-3-HYDROXY-BUTYRAMIDE

41150176.00

39925756.00

(2S,3R,4S,5R)-2-ADENIN-9-YL-5-METHYLOL-TETRAHYDROFURAN-3,4-D...

3149217280.00

2408891904.00

(2S,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-[[(3S,5S,8R,9S,10S,13S,1...

3150556.00

9210.00

2-(TRIBROMOMETHYLSULFONYL)PYRIDINE

18098464.00

9430118.00

3-(1H-INDOL-3-YL)-2-(TRIMETHYLAMMONIO)PROPIONATE

68941720.00

51055768.00

3-(1-HYDROXY-4-METHYL-PENTYL)-5-METHYLOL-TETRAHYDROFURAN-2-O...

3443769.00

21833.00

3-[(2,4-DIHYDROXY-3,3-DIMETHYL-BUTANOYL)AMINO]PROPANOIC ACID

367968992.00

396383616.00

3-(2-HYDROXYPHENYL)PROPANOIC ACID

2385903.00

1262797.00

3,4-DIMETHYLBESYLIC ACID

146005024.00

1378860.00

3,6,9,12,15-PENTAOXATRICOSAN-1-OL

32408154.00

2040278.00

3-AMINO-2-METHYL-N-THIAZOL-2-YL-BENZAMIDE

41750540.00

74391.00

3-AMINOHEXANOIC ACID

132424632.00

128372256.00

3-CHLORO-5,5-DIKETO-6-METHYL-BENZO[C][2,1]BENZOTHIAZEPIN-11-...

3478353.00

411845.00

3-CYCLOHEXYL-1,1-DIMETHYL-UREA

126544928.00

55986448.00

3-DIPHENYLPHOSPHORYLPROPIONIC ACID

12872834.00

1480530.00

3-METHOXY-2-(3-METHYLBUT-2-ENYL)-5-PHENETHYL-PHENOL

7201581.00

137253.00

(3R)-3-[(2-METHYLPROPANOYL)OXY]-4-(TRIMETHYLAZANIUMYL)BUTANO...

199868944.00

169003520.00

(3R)-3-(ACETYLOXY)-4-(TRIMETHYLAZANIUMYL)BUTANOATE

398293504.00

196078304.00

(3R,5R,6S,7S,9R,11E,13S,14R)-6-[(3R,4S,6R)-4-(DIMETHYLAMINO)...

182867072.00

108776216.00

(3R,5R,8R,9S,10S,13S,14S,17S)-10,13,17-TRIMETHYL-1,2,3,4,5,6...

93138520.00

5482650.00

(3R,7S,8R,9S,10S,13S,14S,17S)-7,10,13,17-TETRAMETHYL-1,2,3,4...

30120158.00

105507.00

(3S,4AR,6AR,6BS,8AS,12AS,14AR,14BR)-8A-(HYDROXYMETHYL)-4,4,6...

114613976.00

984880.00

(3S,5R)-3-(METHYLAMINO)-2,3,4,5-TETRAHYDRO-1-BENZOXEPIN-5-OL

883705.00

242097.00

(3Z)-HEX-3-EN-1-YL (2E)-2-METHYLBUT-2-ENOATE

251793584.00

153963296.00

4-({[1-(2-AMINOPHENYL)-3-METHYLBUTYL]-C-HYDROXYCARBONIMIDOYL...

41750540.00

74391.00

4-[(2-CHLOROACETYL)AMINO]BENZOIC ACID ISOPROPYL ESTER

3485262.00

377401.00

4-(4-BROMOPHENYL)-2,5-DIMETHYL-THIAZOLE

12593674.00

149157.00

4-ACETAMIDOBUTANOIC ACID

26942934.00

29333922.00

4-[ACETYL(METHYL)AMINO]BENZOIC ACID

62856500.00

54854068.00

4-AMINO-1-[(2S,4S,5R)-4-HYDROXY-5-METHYLOL-TETRAHYDROFURAN-2...

2360482048.00

2527606016.00

4-AMINO-2-METHYL-BENZAMIDE

6012082.00

120201.00

4-AMINOBUTYRIC ACID ETHYL ESTER

391340.00

712266.00

[4-(AMINOMETHYL)PHENYL]METHANOL

185026720.00

47644732.00

4-KETO-6-METHYL-1H-PYRIDINE-3-CARBOXYLIC ACID

686781632.00

370626720.00

(4-METHYL-2,3,4,5-TETRAHYDROPYRIDIN-6-YL)AMINE

27114498.00

6065968.00

4-(METHYLAMINO)-1-(3-PYRIDYL)BUTAN-1-OL

2539989.00

5152669.00

(4S,5R,6R,7S,8R)-4,6,7,8,9-PENTAHYDROXY-5-[(1-HYDROXYETHYLID...

44338884.00

44655856.00

4-TERT-BUTYL-N-ISOPROPYL-BENZAMIDE

24329120.00

103080.00

5-(2-AMINOETHYL)-2-METHOXYPHENOL

28484086.00

9755963.00

5-(2-HYDROXYETHYL)-4-METHYLTHIAZOLE

25534708.00

12298152.00

5-AMINOHEXYLAMINE

5004159.00

1406299.00

5-CYCLOPROPYLISOXAZOLE-3-CARBOXYLIC ACID METHYL ESTER

69007920.00

35313760.00

5-DIPHENYLPHOSPHORYLVALERIC ACID

8543453.00

2014616.00

5-METHYLCYTOSINE

233452192.00

209194560.00

5^-METHYLTHIOADENOSINE

12341302.00

55039.00

6,8,9-TRIBENZOXY-2,4,10-TRIOXATRICYCLO[3.3.1.13,7]DECANE

13943829.00

25180.00

6-AMINO-1-BENZYL-PYRIMIDINE-2,4-QUINONE

10360284.00

3476684.00

6-METHOXY-1H-BENZIMIDAZOLE-2-CARBOXYLIC ACID

38161864.00

3743799.00

[7,7,12,16-TETRAMETHYL-15-(6-METHYLHEPT-5-EN-2-YL)-6-PENTACY...

30120158.00

105507.00

7-METHYLGUANINE

262283504.00

178879664.00

7-OXABICYCLO[4.1.0]HEPTANE-3-CARBOXYLIC ACID 7-OXABICYCLO[4....

13966336.00

98803.00

8-HYDROXY-2,10,10-TRIMETHYL-TRICYCLO[6.3.0.01,5]UNDEC-6-ENE-...

4626491.00

1873387.00

(9Z,14Z)-12,13,16-TRIHYDROXYOCTADECA-9,14-DIENOIC ACID METHY...

7914464.00

1304866.00

ACETIC ACID [(1S,3R)-1-[(2R)-3,3-DIMETHYLOXIRAN-2-YL]-3-[(5R...

19342330.00

181156.00

ACETIC ACID (5^,7,9,13-TETRAMETHYLSPIRO[5-OXAPENTACYCLO[10.8...

114541192.00

234297.00

ACEXAMIC ACID

688020608.00

72716824.00

ADENINE

43841788.00

19718258.00

ADIPIC ACID DIHEXYL ESTER

566833088.00

424701216.00

ARGININE

598339904.00

617039360.00

BENALAXYL

1073831.00

157000.00

CAR(3:0)

235853456.00

222127616.00

CAR(4:0(3ME))

135880272.00

108154328.00

CAR(6:0)

20575780.00

31577612.00

CARNOSINE

75661808.00

60921572.00

CATHINONE

250712.00

1628584.00

CITRULLINE

12339621.00

10965788.00

CREATINE

111962592.00

106090480.00

CREATININE

277125824.00

208255296.00

CYCLOHEXYL-(2-NITROPHENYL)AMINE

27582044.00

31451240.00

CYTOSINE

2343411200.00

2430604288.00

D-ASPARAGINE

15427777.00

15174262.00

DECAMETHYL-1,3,5,7,9,2,4,6,8,10-PENTAOXAPENTASILECANE

41049584.00

4470473.00

DEOXYADENOSINE

33157022.00

10912478.00

D-GLUTAMINE

1812262528.00

1722776960.00

DICYCLOHEXYLAMINE

47615628.00

506769.00

DIETHYLHEXYL ADIPATE

17841232.00

638650.00

DL-THREONINE

23400562.00

21807546.00

(E)-3,10-DIHYDROXY-4,9-DIMETHYL-DODEC-6-ENEDIOIC ACID

8843254.00

1608190.00

(E)-3-[(1R,4S,7R,7AR)-1-HYDROXY-3,7-DIMETHYL-2,4,5,6,7,7A-HE...

1584542.00

325091.00

(E)-3-PHENYLACRYLIC ACID (10-HYDROXY-9-ISOPROPYL-1,6-DIMETHY...

9328578.00

185914.00

EDETIC ACID

22093592.00

25173442.00

GLUTAMIC ACID

7077329.00

7090517.00

HEXAETHYLENE GLYCOL

167281216.00

6155131.00

HISTIDINE

135521904.00

127674944.00

HORDENINE

6178664.00

189377.00

HYPOXANTHINE

3325436672.00

3841671680.00

INDAN-2-YLAMINE

5503245.00

133981.00

INOSINE

116369488.00

35532048.00

L-METHIONINE S-OXIDE

4351524.00

4600374.00

LYSINE

249150448.00

464295456.00

METHYL(1-PHENYLETHYL)AMINE

3190842.00

202685.00

METHYL[(3E)-4-(PYRIDIN-3-YL)BUT-3-EN-1-YL]AMINE

10360284.00

3476684.00

N-(1-ADAMANTYL)-1-AMYL-INDOLE-3-CARBOXAMIDE

13966336.00

98803.00

N1-METHYL-2-PYRIDONE-5-CARBOXAMIDE

15836892.00

370608352.00

N-(4-METHOXY-2-NITRO-PHENYL)ISONICOTINAMIDE

89232888.00

27739518.00

N-ACETYLARGININE

101993408.00

93749288.00

N-ACETYL-BETA-ALANINE

45882164.00

67174256.00

N-ACETYLORNITHINE

11745567.00

11057631.00

N-ACETYLTHREONINE

93091984.00

85125304.00

NICOFIBRATE

18098700.00

9424967.00

NICOTINAMIDE RIBOSIDE

1277213696.00

390691520.00

N-METHYLISOLEUCINE

5751.00

~{N}-METHYLOLNICOTINAMIDE

1276524544.00

390550112.00

N,N-BIS(2-HYDROXYETHYL)DODECANAMIDE

680906.00

1854239.00

N,N-BIS(PHENYLMETHYL)-N^-PROP-2-ENYLCARBAMIMIDOTHIOIC ACID

291753216.00

1224130.00

N,N^-BIS(P-TOLYL)MALONAMIDE

8084574.00

553682.00

N-NITROSOMETHYLETHYLAMINE

7533441.00

175682.00

N-PHENYLCARBAMIC ACID [2-(ETHYLAMINO)-2-KETO-1-METHYL-ETHYL]...

33739984.00

13195242.00

ONDANSETRON

7142992.00

200896.00

ORNITHINE

12756452.00

8583536.00

PENTAETHYLENE GLYCOL

295055040.00

13996231.00

PHENACYL(TRIPHENYL)PHOSPHONIUM

23571512.00

28669032.00

PHENYLALANINE

154708800.00

39922332.00

PILOCARPINE

13120826.00

2830232.00

PPG.3

42696692.00

18904092.00

PRAMOCAINE

6437363.00

2233329.00

PYRIDOXAL

241621792.00

149479696.00

QUINOLIN-4-OL

21303270.00

3148924.00

SERINE

19623156.00

18473834.00

SKF 91581

10516880.00

3017203.00

SN-GLYCERO-3-PHOSPHOCHOLINE

239784912.00

220119328.00

SPERMINE

114882.00

SPHINGANINE

1127807.00

803468.00

TERT-BUTYL 2-OXOPIPERIDINE-1-CARBOXYLATE

198579440.00

2948393.00

TETRAETHYLENE GLYCOL

339204512.00

54213980.00

THIAMINE

119894208.00

57377608.00

TRIGONELLINE

150864352.00

1221081.00

TRIPHENYL PHOSPHATE

11800492.00

20240208.00

TRIPHENYLPHOSPHINE

35378268.00

1290774.00

TRIS(2-BUTOXYETHYL) PHOSPHATE

61161288.00

311519.00

TRYPTOPHAN

26075222.00

18342922.00

UROCANIC ACID

54986684.00

80886376.00

VINYLPYRAZINE

52958316.00

27889124.00

(Z)-2-OCTYLPENT-2-ENEDIOIC ACID

3236602.00

2245799.00

Data for ST003302

Factors:

F1	Sample type:aCSF \| Dialysate concentration:N/A
F2	Sample type:Dialysate \| Dialysate concentration:10x
F3	Sample type:Dialysate \| Dialysate concentration:1x