Exact Mass: 218.1158

Exact Mass Matches: 218.1158

Found 90 metabolites which its exact mass value is equals to given mass value 218.1158, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

THIOFANOX

2-Butanone, 3,3-dimethyl-1-(methylthio)-, O-[(methylamino)carbonyl]oxime

C9H18N2O2S (218.1089)


C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor

   

Di-tert-butyl dicarbonate

Di-tert-butyl dicarbonate

C10H18O5 (218.1154)


CONFIDENCE standard compound; EAWAG_UCHEM_ID 3156

   

3-Hydroxysebacic acid

(3R)-3-hydroxydecanedioic acid

C10H18O5 (218.1154)


3-Hydroxydecanedioic is a dicarboxylic acid that belongs to the class of compounds known hydroxy fatty acids. Hydroxy fatty acids are fatty acids that have hydroxyl functional groups attached to the principal chain. 3-Hydroxydecanedioic acid is found in most vertebrates. Urine from patients with ketoacidosis typically contains a number of aliphatic 3-hydroxy dicarboxylic acids, with the major compound being 3-hydroxydecanedioic acid (PMID: 7353273). The excretion of 3-hydroxydecanedioic acid is correlated with the excretion of hexanedioic acid, another metabolite frequently found in ketoacidosis (PMID: 5031780). It is thought that the 3-hydroxy dicarboxylic acids such as 3-hydroxydecanedioic acid are formed from fatty acids by a combination of omega-oxidation and incomplete beta-oxidation (PMID: 7353273). Marked elevation of urinary 3-hydroxydecanedioic acid has also been reported in a malnourished infant with glycogen storage disease (PMID: 8295400). Subsequent studies have shown that increased amounts of dicarboxylic acids, such as 3-hydroxydecanedioic acid, are typically excreted in human urine under conditions of medium-chain triglyceride (MCT) feeding, abnormal fatty acid oxidation (FAO) and fasting (PMID: 8596483). 3-Hydroxysebacic acid is a normal urinary 3-hydroxydicarboxylic acid metabolite and can be elevated in patients with peroxisomal disorders such as Zellweger syndrome. Marked elevation of urinary 3- Hydroxysebacic acid has also been described in a malnourished infant with glycogen storage disease, mimicking long-chain L-3-hydroxyacyl-CoA dehydrogenase deficiency (OMIM 300438, a defect in the beta-oxidation of fatty acids characterized by massive excretion of 3-hydroxydicarboxylic acids in the urine and accumulation of 3-hydroxy fatty acids in serum). (PMID 12860034, 14708889, 8295400) [HMDB]

   

2-Hydroxydecanedioic acid

alpha-Hydroxysebasic acid

C10H18O5 (218.1154)


2-Hydroxydecanedioic acid appears in the urine of children affected with peroxisomal disorders such as urines of children with neonatal adrenoleukodystrophy and Zellweger syndrome and is a useful marker for these diseases. (PMID 2943344) [HMDB] 2-Hydroxydecanedioic acid appears in the urine of children affected with peroxisomal disorders such as urines of children with neonatal adrenoleukodystrophy and Zellweger syndrome and is a useful marker for these diseases. (PMID 2943344).

   

5-Hydroxysebacate

5-hydroxydecanedioic acid

C10H18O5 (218.1154)


5-hydroxysebacate is a metabolite found in the urine of patients with peroxismal diseases.

   

(-)-Menthyl chloroformate

5-methyl-2-(propan-2-yl)cyclohexyl chloroformate

C11H19ClO2 (218.1074)


   

3-[(carboxymethoxy)methyl]heptanoic acid

3-[(carboxymethoxy)methyl]heptanoic acid

C10H18O5 (218.1154)


   

(2Z,6S)-3-Chloromethyl-6-methoxyl-7-methylocta-2,7(10)-dien-1-ol|6-Me ether-3-Chloromethyl-7-methyl-2, 7-octadiene-1, 6-diol

(2Z,6S)-3-Chloromethyl-6-methoxyl-7-methylocta-2,7(10)-dien-1-ol|6-Me ether-3-Chloromethyl-7-methyl-2, 7-octadiene-1, 6-diol

C11H19ClO2 (218.1074)


   

(4E)-6,7,9-trihydroxydec-4-enoic acid

(4E)-6,7,9-trihydroxydec-4-enoic acid

C10H18O5 (218.1154)


   

(2Z,6S)-3-Chloromethyl-1-methoxyl-7-methylocta-2,7(10)-dien-6-ol

(2Z,6S)-3-Chloromethyl-1-methoxyl-7-methylocta-2,7(10)-dien-6-ol

C11H19ClO2 (218.1074)


   

Methyl 2,3-O-isopropylidene-a-L-rhamnopyranoside

Methyl 2,3-O-isopropylidene-a-L-rhamnopyranoside

C10H18O5 (218.1154)


   

3-Hydroxysebacic acid

3-Hydroxysebacic acid

C10H18O5 (218.1154)


An alpha,omega-dicarboxylic acid that is decanedioic (sebacic) acid carrying a hydroxy substituent at position 3.

   

1COOH-2But-A7-OCH2COOH

1COOH-2But-A7-OCH2COOH

C10H18O5 (218.1154)


Literature spectrum; CONFIDENCE Tentative identification: isomers possible (Level 3); Could be alkyl homologue of given structure; Digitised from figure: approximate intensities

   

Hydroxysebacic acid

Hydroxysebacic acid

C10H18O5 (218.1154)


Annotation level-3

   

3-Hydroxysebacate

3-hydroxy-decanedioic acid

C10H18O5 (218.1154)


   

2-Hydroxydecanedioic acid

2-Hydroxydecanedioic acid

C10H18O5 (218.1154)


   

2-hydroxy-decanedioic acid

2-hydroxy-decanedioic acid

C10H18O5 (218.1154)


   

FA 10:1;O3

3-hydroxy-decanedioic acid

C10H18O5 (218.1154)


   

2-METHYL-1-PHENYL-NAPHTHALENE

2-METHYL-1-PHENYL-NAPHTHALENE

C17H14 (218.1095)


   

2-(1,1,2,2,2-pentadeuterioethylamino)-1-phenylpropan-1-one,hydrochloride

2-(1,1,2,2,2-pentadeuterioethylamino)-1-phenylpropan-1-one,hydrochloride

C11H11ClD5NO (218.1234)


   

trimethyl(1-trimethylsilyloxyprop-1-enoxy)silane

trimethyl(1-trimethylsilyloxyprop-1-enoxy)silane

C9H22O2Si2 (218.1158)


   

Ethanol, 2,2-oxybis-,1,1-dipropanoate

Ethanol, 2,2-oxybis-,1,1-dipropanoate

C10H18O5 (218.1154)


   

1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one

1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one

C11H14N4O (218.1168)


   

2,2,6,6-tetrakis(hydroxymethyl)cyclohexan-1-one

2,2,6,6-tetrakis(hydroxymethyl)cyclohexan-1-one

C10H18O5 (218.1154)


   

4-piperidin-1-yl-2,1,3-benzoxadiazol-7-amine

4-piperidin-1-yl-2,1,3-benzoxadiazol-7-amine

C11H14N4O (218.1168)


   

1-CYCLOPENTYL-6-FLUORO-3-METHYL-1H-INDAZOLE

1-CYCLOPENTYL-6-FLUORO-3-METHYL-1H-INDAZOLE

C13H15FN2 (218.1219)


   

4-(3-MORPHOLINOPROPYL)-3-THIOSEMICARBAZIDE

4-(3-MORPHOLINOPROPYL)-3-THIOSEMICARBAZIDE

C8H18N4OS (218.1201)


   

1-CYCLOBUTYL-3-ETHYL-6-FLUORO-1H-INDAZOLE

1-CYCLOBUTYL-3-ETHYL-6-FLUORO-1H-INDAZOLE

C13H15FN2 (218.1219)


   

diethyl 3-hydroxy-3-methylglutarate

diethyl 3-hydroxy-3-methylglutarate

C10H18O5 (218.1154)


   

2-PIPERIDINYL(1-PYRROLIDINYL)METHANONE HYDROCHLORIDE

2-PIPERIDINYL(1-PYRROLIDINYL)METHANONE HYDROCHLORIDE

C10H19ClN2O (218.1186)


   

7-Fluoro-3-(piperidin-4-yl)-1H-indole

7-Fluoro-3-(piperidin-4-yl)-1H-indole

C13H15FN2 (218.1219)


   

4-Fluoro-3-(piperidin-4-yl)-1H-indole

4-Fluoro-3-(piperidin-4-yl)-1H-indole

C13H15FN2 (218.1219)


   

3-PIPERIDIN-4-YL-1,3-DIHYDRO-IMIDAZO[4,5-B]PYRIDIN-2-ONE

3-PIPERIDIN-4-YL-1,3-DIHYDRO-IMIDAZO[4,5-B]PYRIDIN-2-ONE

C11H14N4O (218.1168)


   

methyl 2,3-o-isopropylidene-alpha-l-rhamnopyranose

Methyl 2,3-o-isopropylidene-alpha-l-rhamnopyranoside

C10H18O5 (218.1154)


   

4-tert-butylcyclohexyl chloroformate

4-tert-butylcyclohexyl chloroformate

C11H19ClO2 (218.1074)


   

4-(4-fluorophenyl)-1-methylpiperidine-4-carbonitrile

4-(4-fluorophenyl)-1-methylpiperidine-4-carbonitrile

C13H15FN2 (218.1219)


   

Naphthalene,2-(phenylmethyl)-

Naphthalene,2-(phenylmethyl)-

C17H14 (218.1095)


   

Ethanone, 1-(2,8-diazaspiro[4.5]dec-8-yl)-, hydrochloride (1:1)

Ethanone, 1-(2,8-diazaspiro[4.5]dec-8-yl)-, hydrochloride (1:1)

C10H19ClN2O (218.1186)


   

5-Fluoro-3-(piperidin-4-yl)-1H-indole

5-Fluoro-3-(piperidin-4-yl)-1H-indole

C13H15FN2 (218.1219)


   

6-Fluoro-3-(piperidin-4-yl)-1H-indole

6-Fluoro-3-(piperidin-4-yl)-1H-indole

C13H15FN2 (218.1219)


   
   

4-(2-Fluorophenyl)-1-Methylpiperidine-4-carbonitrile

4-(2-Fluorophenyl)-1-Methylpiperidine-4-carbonitrile

C13H15FN2 (218.1219)


   

3-Morpholino-1H-indazol-5-amine

3-Morpholino-1H-indazol-5-amine

C11H14N4O (218.1168)


   

4-(6-METHOXY-2-METHYLPYRIDIN-3-YL)-3-METHYL-1H-PYRAZOL-5-AMINE

4-(6-METHOXY-2-METHYLPYRIDIN-3-YL)-3-METHYL-1H-PYRAZOL-5-AMINE

C11H14N4O (218.1168)


   

(1-(4-Methoxybenzyl)-1H-1,2,4-triazol-5-yl)methanamine

(1-(4-Methoxybenzyl)-1H-1,2,4-triazol-5-yl)methanamine

C11H14N4O (218.1168)


   

1H-Benzotriazole,1-(4-morpholinylmethyl)-

1H-Benzotriazole,1-(4-morpholinylmethyl)-

C11H14N4O (218.1168)


   

(2-FORMYLPHENYL)BORONIC ACID NEOPENTYL GLYCOL ESTER

2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde

C12H15BO3 (218.1114)


   

t-Hexyl peroxy isopropyl monocarbonate

t-Hexyl peroxy isopropyl monocarbonate

C10H18O5 (218.1154)


   

3-(4-Morpholinyl)-1H-pyrrolo[2,3-b]pyridin-5-amine

3-(4-Morpholinyl)-1H-pyrrolo[2,3-b]pyridin-5-amine

C11H14N4O (218.1168)


   

(R)-4-AMINOMETHYL-THIAZOLIDINE-3-CARBOXYLICACIDTERT-BUTYLESTER

(R)-4-AMINOMETHYL-THIAZOLIDINE-3-CARBOXYLICACIDTERT-BUTYLESTER

C9H18N2O2S (218.1089)


   

(+)-Menthyl Chloroformate

(+)-Menthyl Chloroformate

C11H19ClO2 (218.1074)


   

N-(2-Ethoxybenzyl)-1H-1,2,4-triazol-5-amine

N-(2-Ethoxybenzyl)-1H-1,2,4-triazol-5-amine

C11H14N4O (218.1168)


   

diethylenglykol-diglycidylether

diethylenglykol-diglycidylether

C10H18O5 (218.1154)


   

Naphthalene, 2-p-tolyl- (6CI,7CI)

Naphthalene, 2-p-tolyl- (6CI,7CI)

C17H14 (218.1095)


   

6-(3,4-Diaminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone

6-(3,4-Diaminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone

C11H14N4O (218.1168)


   

2-[[(butylamino)carbonyl]oxy]ethyl acrylate

2-[[(butylamino)carbonyl]oxy]ethyl acrylate

C6H20Cl2N4 (218.1065)


   

(R)-Diisopropyl 2-hydroxysuccinate

(R)-Diisopropyl 2-hydroxysuccinate

C10H18O5 (218.1154)


   

Methyl-2-phenylnaphthalene

Methyl-2-phenylnaphthalene

C17H14 (218.1095)


   

Methyldihydrofluoranthene

Methyldihydrofluoranthene

C17H14 (218.1095)


   

N-[2-(2-Amino-benzoimidazol-1-yl)-ethyl]-acetamide

N-[2-(2-Amino-benzoimidazol-1-yl)-ethyl]-acetamide

C11H14N4O (218.1168)


   

(1R,2S,5R)-2-isopropyl-5-methylcyclohexylcarbonochloridate

(1R,2S,5R)-2-isopropyl-5-methylcyclohexylcarbonochloridate

C11H19ClO2 (218.1074)


   

piperidin-3-yl(pyrrolidin-1-yl)methanone,hydrochloride

piperidin-3-yl(pyrrolidin-1-yl)methanone,hydrochloride

C10H19ClN2O (218.1186)


   

2-(1,4-Diazepan-1-yl)oxazolo[5,4-b]pyridine

2-(1,4-Diazepan-1-yl)oxazolo[5,4-b]pyridine

C11H14N4O (218.1168)


   

(3 4-DIHYDRO-1-NAPHTHYLOXY)TRIMETHYL-

(3 4-DIHYDRO-1-NAPHTHYLOXY)TRIMETHYL-

C13H18OSi (218.1127)


   

[4-(cyclopentanecarbonyl)phenyl]boronic acid

[4-(cyclopentanecarbonyl)phenyl]boronic acid

C12H15BO3 (218.1114)


   

4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde

4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde

C12H15BO3 (218.1114)


   
   

Trientine hydrochloride

TRIETHYLENETETRAMINE DIHYDROCHLORIDE

C6H20Cl2N4 (218.1065)


C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor D064449 - Sequestering Agents > D002614 - Chelating Agents

   

Propanedioic acid,2-(ethoxymethyl)-, 1,3-diethyl ester

Propanedioic acid,2-(ethoxymethyl)-, 1,3-diethyl ester

C10H18O5 (218.1154)


   

Ethyl 4,4-diethoxy-3-oxobutanoate

Ethyl 4,4-diethoxy-3-oxobutanoate

C10H18O5 (218.1154)


   
   

9-Methyl-10-vinylanthracene

9-Methyl-10-vinylanthracene

C17H14 (218.1095)


   

((Z)-5-Chloropent-1-enyl)triethylsilane

((Z)-5-Chloropent-1-enyl)triethylsilane

C11H23ClSi (218.1257)


   

Alanylglycine, TMS derivative

Alanylglycine, TMS derivative

C8H18N2O3Si (218.1087)


   

Methyl 3,4-O-isopropylidene-beta-D-fucopyranoside

Methyl 3,4-O-isopropylidene-beta-D-fucopyranoside

C10H18O5 (218.1154)


   

Methyl 2,3-O-isopropylidene-alpha-L-rhamnopyranoside (2,2,2,3,3,3-D6)

Methyl 2,3-O-isopropylidene-alpha-L-rhamnopyranoside (2,2,2,3,3,3-D6)

C10H18O5 (218.1154)


   

Methyl 3,4-O-isopropylidene-beta-D-fucopyranoside (3,3,3,4,4,4-D6)

Methyl 3,4-O-isopropylidene-beta-D-fucopyranoside (3,3,3,4,4,4-D6)

C10H18O5 (218.1154)


   

1-O-Acetyl-2-O-valerylglycerol

1-O-Acetyl-2-O-valerylglycerol

C10H18O5 (218.1154)


   

(1-Hydroxy-3-propanoyloxypropan-2-yl) butanoate

(1-Hydroxy-3-propanoyloxypropan-2-yl) butanoate

C10H18O5 (218.1154)


   

5-Hydroxysebacate

5-Hydroxysebacate

C10H18O5 (218.1154)


   

Hydroxydecanedioic acid

Hydroxydecanedioic acid

C10H18O5 (218.1154)


   

Tert-butoxycarbonyl anhydride

Tert-butoxycarbonyl anhydride

C10H18O5 (218.1154)


   

3-(chloromethyl)-6-methoxy-7-methylocta-2,7-dien-1-ol

3-(chloromethyl)-6-methoxy-7-methylocta-2,7-dien-1-ol

C11H19ClO2 (218.1074)


   

(2s)-2-({[(2s)-2-hydroxyoxolan-2-yl]methoxy}methyl)oxolan-2-ol

(2s)-2-({[(2s)-2-hydroxyoxolan-2-yl]methoxy}methyl)oxolan-2-ol

C10H18O5 (218.1154)


   

6-(chloromethyl)-8-methoxy-2-methylocta-1,6-dien-3-ol

6-(chloromethyl)-8-methoxy-2-methylocta-1,6-dien-3-ol

C11H19ClO2 (218.1074)


   

(3s,6z)-6-(chloromethyl)-8-methoxy-2-methylocta-1,6-dien-3-ol

(3s,6z)-6-(chloromethyl)-8-methoxy-2-methylocta-1,6-dien-3-ol

C11H19ClO2 (218.1074)


   

2-{[(2-hydroxyoxolan-2-yl)methoxy]methyl}oxolan-2-ol

2-{[(2-hydroxyoxolan-2-yl)methoxy]methyl}oxolan-2-ol

C10H18O5 (218.1154)


   

6,7,9-trihydroxydec-4-enoic acid

6,7,9-trihydroxydec-4-enoic acid

C10H18O5 (218.1154)


   

(4e,6s,7s,9s)-6,7,9-trihydroxydec-4-enoic acid

(4e,6s,7s,9s)-6,7,9-trihydroxydec-4-enoic acid

C10H18O5 (218.1154)


   

(2z,6s)-3-(chloromethyl)-6-methoxy-7-methylocta-2,7-dien-1-ol

(2z,6s)-3-(chloromethyl)-6-methoxy-7-methylocta-2,7-dien-1-ol

C11H19ClO2 (218.1074)