Exact Mass: 287.1416

Exact Mass Matches: 287.1416

Found 70 metabolites which its exact mass value is equals to given mass value 287.1416, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

NAc-AAA-ME

Methyl-N-acetyl-N-L-alanyl-N-L-alanyl alaninate

C12H21N3O5 (287.1481)


   

(2E)-Hexenedioylcarnitine

3-{[(2E)-5-carboxypent-2-enoyl]oxy}-4-(trimethylammonio)butanoic acid

C13H21NO6 (287.1369)


(2E)-Hexenedioylcarnitine is an acylcarnitine. More specifically, it is an (2E)-hexenedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (2E)-Hexenedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2E)-Hexenedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].

   

(2E)-3-Methylpent-2-enedioylcarnitine

3-[(4-carboxy-3-methylbut-2-enoyl)oxy]-4-(trimethylazaniumyl)butanoate

C13H21NO6 (287.1369)


(2E)-3-methylpent-2-enedioylcarnitine is an acylcarnitine. More specifically, it is an (2E)-3-methylpent-2-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (2E)-3-methylpent-2-enedioylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine (2E)-3-methylpent-2-enedioylcarnitine is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. In particular (2E)-3-methylpent-2-enedioylcarnitine is elevated in the blood or plasma of individuals with 3-hydroxy-3-methylglutarylCoA lyase deficiency (PMID: 32685354). (2E)-3-methylpent-2-enedioylcarnitine is elevated in the urine of individuals with 3-methylglutaconic aciduria (PMID: 7850987). Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].

   

Hex-3-enedioylcarnitine

3-[(5-carboxypent-3-enoyl)oxy]-4-(trimethylazaniumyl)butanoate

C13H21NO6 (287.1369)


hex-3-enedioylcarnitine is an acylcarnitine. More specifically, it is an hex-3-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. hex-3-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine hex-3-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].

   

indole-3-acetyl-isoleucine

N-(1-Carboxy-2-methylbutyl)-2-(1H-indol-3-yl)ethanecarboximidic acid

C16H19N2O3 (287.1396)


Indole-3-acetyl-isoleucine is also known as iaa-ile. Indole-3-acetyl-isoleucine is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Indole-3-acetyl-isoleucine can be found in a number of food items such as oriental wheat, brazil nut, corn, and cauliflower, which makes indole-3-acetyl-isoleucine a potential biomarker for the consumption of these food products.

   

indole-3-acetyl-leucine

N-(1-Carboxy-3-methylbutyl)-2-(1H-indol-3-yl)ethanecarboximidic acid

C16H19N2O3- (287.1396)


Indole-3-acetyl-leucine is also known as iaa-leu. Indole-3-acetyl-leucine is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Indole-3-acetyl-leucine can be found in a number of food items such as prairie turnip, pecan nut, common sage, and saffron, which makes indole-3-acetyl-leucine a potential biomarker for the consumption of these food products.

   

2-acetamido-3,6-anhydro-2-deoxy-5-O-isovaleryl-D-glucofuranose|furanodictine A

2-acetamido-3,6-anhydro-2-deoxy-5-O-isovaleryl-D-glucofuranose|furanodictine A

C13H21NO6 (287.1369)


   

9,14,14b,15-tetrahydro-8H-pyrido[4,3:4,5]azepino[1,2:1,2]pyrido[3,4-b]indole|Naufolin|Naufoline

9,14,14b,15-tetrahydro-8H-pyrido[4,3:4,5]azepino[1,2:1,2]pyrido[3,4-b]indole|Naufolin|Naufoline

C19H17N3 (287.1422)


   
   
   
   
   

C.I. Basic Red 9

C.I. Basic Red 9

C19H17N3 (287.1422)


D004396 - Coloring Agents > D012394 - Rosaniline Dyes D005404 - Fixatives CONFIDENCE standard compound; INTERNAL_ID 229; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6850; ORIGINAL_PRECURSOR_SCAN_NO 6849 CONFIDENCE standard compound; INTERNAL_ID 229; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6885; ORIGINAL_PRECURSOR_SCAN_NO 6883 CONFIDENCE standard compound; INTERNAL_ID 229; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6893; ORIGINAL_PRECURSOR_SCAN_NO 6892 CONFIDENCE standard compound; INTERNAL_ID 229; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6896; ORIGINAL_PRECURSOR_SCAN_NO 6895 CONFIDENCE standard compound; INTERNAL_ID 229; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6827; ORIGINAL_PRECURSOR_SCAN_NO 6826 CONFIDENCE standard compound; INTERNAL_ID 229; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6868; ORIGINAL_PRECURSOR_SCAN_NO 6867

   

1,N2-4-Oxo-(2E)-nonenal-guanine

1,N2-4-Oxo-(2E)-nonenal-guanine

C14H17N5O2 (287.1382)


   
   
   

PARAROSANILINE

PARAROSANILINE

C19H17N3 (287.1422)


   

CAR 6:2;O2

3-{[(2E)-5-carboxypent-2-enoyl]oxy}-4-(trimethylammonio)butanoate;trans-2-hexenedioylcarnitine

C13H21NO6 (287.1369)


   

4-tert-butyl-2-[3-(trifluoromethyl)phenyl]morpholine

4-tert-butyl-2-[3-(trifluoromethyl)phenyl]morpholine

C15H20F3NO (287.1497)


   

N-(4-AMINO-6,7-DIMETHOXYQUINAZOL-2-YL)-N-METHYL-2-CYANOETHYLAMINE

N-(4-AMINO-6,7-DIMETHOXYQUINAZOL-2-YL)-N-METHYL-2-CYANOETHYLAMINE

C14H17N5O2 (287.1382)


   

1,2,3-Triphenylguanidine

1,2,3-Triphenylguanidine

C19H17N3 (287.1422)


   

(2S,4R)-1-(TERT-BUTOXYCARBONYL)-4-(2-METHOXY-2-OXOETHYL)PYRROLIDINE-2-CARBOXYLIC ACID

(2S,4R)-1-(TERT-BUTOXYCARBONYL)-4-(2-METHOXY-2-OXOETHYL)PYRROLIDINE-2-CARBOXYLIC ACID

C13H21NO6 (287.1369)


   

2-(Diphenylmethyl)piperidine hydrochloride (1:1)

2-(Diphenylmethyl)piperidine hydrochloride (1:1)

C18H22ClN (287.1441)


   

[2-(4-Methoxy-phenyl)-ethyl]-(4-methylsulfanyl-benzyl)-amine

[2-(4-Methoxy-phenyl)-ethyl]-(4-methylsulfanyl-benzyl)-amine

C17H21NOS (287.1344)


   

2-(2-quinolin-6-yl-1H-indol-3-yl)ethanamine

2-(2-quinolin-6-yl-1H-indol-3-yl)ethanamine

C19H17N3 (287.1422)


   

(3R,4R)-1-[(tert-butoxy)carbonyl]-4-(ethoxycarbonyl)pyrrolidine-

(3R,4R)-1-[(tert-butoxy)carbonyl]-4-(ethoxycarbonyl)pyrrolidine-

C13H21NO6 (287.1369)


   

1-[BIS-(4-FLUOROPHENYL)-METHYL]-PIPERIDINE

1-[BIS-(4-FLUOROPHENYL)-METHYL]-PIPERIDINE

C18H19F2N (287.1485)


   

5-METHOXY-N-(2-(THIOPHEN-2-YL)ETHYL)-1,2,3,4-TETRAHYDRONAPHTHALEN-2-AMINE

5-METHOXY-N-(2-(THIOPHEN-2-YL)ETHYL)-1,2,3,4-TETRAHYDRONAPHTHALEN-2-AMINE

C17H21NOS (287.1344)


   

Ethyl N-[(5-amino-1-phenyl-1H-pyrazol-4-yl)-carbonyl]ethanehydrazonoate

Ethyl N-[(5-amino-1-phenyl-1H-pyrazol-4-yl)-carbonyl]ethanehydrazonoate

C14H17N5O2 (287.1382)


   

TRANS-1-(tert-butoxycarbonyl)-4-(ethoxycarbonyl)pyrrolidine-3-carboxylic acid

TRANS-1-(tert-butoxycarbonyl)-4-(ethoxycarbonyl)pyrrolidine-3-carboxylic acid

C13H21NO6 (287.1369)


   

N-(3-METHYLPHENYL)-N-[4-(PHENYLAZO)PHENYL]AMINE

N-(3-METHYLPHENYL)-N-[4-(PHENYLAZO)PHENYL]AMINE

C19H17N3 (287.1422)


   

trolamine salicylate

trolamine salicylate

C13H21NO6 (287.1369)


D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic

   

1-cyclopropyl-6-fluoro-7-piperazin-1-ylquinolin-4-one

1-cyclopropyl-6-fluoro-7-piperazin-1-ylquinolin-4-one

C16H18FN3O (287.1434)


   

Boc-L-glutamic acid γ-allyl ester

Boc-L-glutamic acid γ-allyl ester

C13H21NO6 (287.1369)


   

Indole-3-acetyl-leu

Indole-3-acetyl-leu

C16H19N2O3- (287.1396)


   

(indol-3-yl)acetyl-L-isoleucine

(indol-3-yl)acetyl-L-isoleucine

C16H19N2O3- (287.1396)


   

Hex-3-enedioylcarnitine

Hex-3-enedioylcarnitine

C13H21NO6 (287.1369)


   

indole-3-acetyl-isoleucine

indole-3-acetyl-isoleucine

C16H19N2O3- (287.1396)


   

(2E)-3-Methylpent-2-enedioylcarnitine

(2E)-3-Methylpent-2-enedioylcarnitine

C13H21NO6 (287.1369)


   

1,4,8-Trimethyl-12-quinolino[2,3-b]quinolinamine

1,4,8-Trimethyl-12-quinolino[2,3-b]quinolinamine

C19H17N3 (287.1422)


   

N-Acetyl-ala-ala-ala-methylester

N-Acetyl-ala-ala-ala-methylester

C12H21N3O5 (287.1481)


   

2-[6-(Methoxymethyl)-4-oxo-1,4-dihydropyrimidin-2-yl]-1-(4-methylphenyl)guanidine

2-[6-(Methoxymethyl)-4-oxo-1,4-dihydropyrimidin-2-yl]-1-(4-methylphenyl)guanidine

C14H17N5O2 (287.1382)


   

(2S,3R)-2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoic acid

(2S,3R)-2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoic acid

C12H21N3O5 (287.1481)


   

1-(2-Ethyl-6-methylphenyl)-3-[(1-methyl-2-pyrrolyl)methyl]thiourea

1-(2-Ethyl-6-methylphenyl)-3-[(1-methyl-2-pyrrolyl)methyl]thiourea

C16H21N3S (287.1456)


   

5,7-dimethyl-3-(4-methylphenyl)-3H-pyrido[4,3,2-de]quinazoline

5,7-dimethyl-3-(4-methylphenyl)-3H-pyrido[4,3,2-de]quinazoline

C19H17N3 (287.1422)


   
   
   
   
   
   

(2E)-8-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]oct-2-enoate

(2E)-8-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]oct-2-enoate

C14H23O6- (287.1495)


   

(E,7R)-7-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyoct-2-enoate

(E,7R)-7-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyoct-2-enoate

C14H23O6- (287.1495)


   

N-Acetyl-glycyl-valyl-glycine methylester

N-Acetyl-glycyl-valyl-glycine methylester

C12H21N3O5 (287.1481)


   

N-Acetyl-alanyl-alanyl-alanine methyl ester

N-Acetyl-alanyl-alanyl-alanine methyl ester

C12H21N3O5 (287.1481)


   

1-Methyl-3-methoxycarbonyl-5-trimethylsilyl-2-phenylpyrrole

1-Methyl-3-methoxycarbonyl-5-trimethylsilyl-2-phenylpyrrole

C16H21NO2Si (287.1341)


   

(2E)-hexenedioylcarnitine

(2E)-hexenedioylcarnitine

C13H21NO6 (287.1369)


   

2-[6-(methoxymethyl)-4-oxo-1H-pyrimidin-2-yl]-1-(4-methylphenyl)guanidine

2-[6-(methoxymethyl)-4-oxo-1H-pyrimidin-2-yl]-1-(4-methylphenyl)guanidine

C14H17N5O2 (287.1382)


   

ascr#13(1-)

ascr#13(1-)

C14H23O6 (287.1495)


Conjugate base of ascr#13

   

oscr#13(1-)

oscr#13(1-)

C14H23O6 (287.1495)


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#13, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

O-[(2E)-hexenedioyl]carnitine

O-[(2E)-hexenedioyl]carnitine

C13H21NO6 (287.1369)


An O-acylcarnitine having (2E)-hexenedioyl as the acyl substituent.

   
   
   
   

n-{2-hydroxy-6-[(3-methylbutanoyl)oxy]-hexahydrofuro[3,2-b]furan-3-yl}ethanimidic acid

n-{2-hydroxy-6-[(3-methylbutanoyl)oxy]-hexahydrofuro[3,2-b]furan-3-yl}ethanimidic acid

C13H21NO6 (287.1369)


   

n-[(2r,3r,3ar,6r,6as)-2-hydroxy-6-[(3-methylbutanoyl)oxy]-hexahydrofuro[3,2-b]furan-3-yl]ethanimidic acid

n-[(2r,3r,3ar,6r,6as)-2-hydroxy-6-[(3-methylbutanoyl)oxy]-hexahydrofuro[3,2-b]furan-3-yl]ethanimidic acid

C13H21NO6 (287.1369)


   

3,13,17-triazapentacyclo[11.9.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]docosa-2(10),4,6,8,15,17,19,21-octaene

3,13,17-triazapentacyclo[11.9.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]docosa-2(10),4,6,8,15,17,19,21-octaene

C19H17N3 (287.1422)


   

n-[(3r,3ar,6r,6as)-2-hydroxy-6-[(3-methylbutanoyl)oxy]-hexahydrofuro[3,2-b]furan-3-yl]ethanimidic acid

n-[(3r,3ar,6r,6as)-2-hydroxy-6-[(3-methylbutanoyl)oxy]-hexahydrofuro[3,2-b]furan-3-yl]ethanimidic acid

C13H21NO6 (287.1369)


   

(1s)-3,13,18-triazapentacyclo[11.9.0.0²,¹⁰.0⁴,⁹.0¹⁶,²¹]docosa-2(10),4,6,8,14,16,18,20-octaene

(1s)-3,13,18-triazapentacyclo[11.9.0.0²,¹⁰.0⁴,⁹.0¹⁶,²¹]docosa-2(10),4,6,8,14,16,18,20-octaene

C19H17N3 (287.1422)


   

n-[(3s,3ar,6r,6as)-2-hydroxy-6-[(3-methylbutanoyl)oxy]-hexahydrofuro[3,2-b]furan-3-yl]ethanimidic acid

n-[(3s,3ar,6r,6as)-2-hydroxy-6-[(3-methylbutanoyl)oxy]-hexahydrofuro[3,2-b]furan-3-yl]ethanimidic acid

C13H21NO6 (287.1369)


   

n-[(2r,3s,3ar,6r,6as)-2-hydroxy-6-[(3-methylbutanoyl)oxy]-hexahydrofuro[3,2-b]furan-3-yl]ethanimidic acid

n-[(2r,3s,3ar,6r,6as)-2-hydroxy-6-[(3-methylbutanoyl)oxy]-hexahydrofuro[3,2-b]furan-3-yl]ethanimidic acid

C13H21NO6 (287.1369)