Exact Mass: 165.03050180000002
Exact Mass Matches: 165.03050180000002
Found 500 metabolites which its exact mass value is equals to given mass value 165.03050180000002,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Methionine sulfoxide
Methionine sulfoxide belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. Methionine sulfoxide exists in all living species, ranging from bacteria to humans. Within humans, methionine sulfoxide participates in a number of enzymatic reactions. In particular, methionine sulfoxide can be biosynthesized from L-methionine through its interaction with the enzyme methionine-R-sulfoxide reductase B3. In addition, methionine sulfoxide can be biosynthesized from L-methionine through the action of the enzyme methionine-R-sulfoxide reductase b2, mitochondrial. In humans, methionine sulfoxide is involved in the metabolic disorder called hypermethioninemia. Methionine sulfoxide is an oxidation product of methionine with reactive oxygen species via 2-electron-dependent mechanism. Such oxidants can be generated from activated neutrophils; therefore, methionine sulfoxide can be regarded as a biomarker of oxidative stress in vivo. (PMID 12576054) [HMDB]. Methionine sulfoxide is found in many foods, some of which are romaine lettuce, white cabbage, dill, and yellow bell pepper. L-Methionine sulfoxide (H-Met(O)-OH), a metabolite of Methionine, induces M1/classical macrophage polarization, and modulates oxidative stress and purinergic signaling parameters[1]. Methionine sulfoxide is an oxidation product of methionine with reactive oxygen species and can be regarded as a biomarker of oxidative stress in vivo. Methionine sulfoxide is an oxidation product of methionine with reactive oxygen species and can be regarded as a biomarker of oxidative stress in vivo.
N-formylanthranilic acid
Formylanthranilic acid is a polar acid metabolite of anthranilic acid, occasionally found in human urine. (PMID 7320161) [HMDB] Formylanthranilic acid is a polar acid metabolite of anthranilic acid, occasionally found in human urine. (PMID 7320161).
4-Pyridoxolactone
4-Pyridoxolactone is a bacterial oxidation metabolite of vitamin B6 (KEGG) [HMDB] 4-Pyridoxolactone is a bacterial oxidation metabolite of vitamin B6 (KEGG).
5-Pyridoxolactone
5-Pyridoxolactone is a normal human metabolite of vitamin B6 metabolism. (PMIDs 9211301, 14995036) [HMDB] 5-Pyridoxolactone is a normal human metabolite of vitamin B6 metabolism. (PMIDs 9211301, 14995036).
(R)-2-Hydroxy-2H-1,4-benzoxazin-3(4H)-one
(R)-2-Hydroxy-2H-1,4-benzoxazin-3(4H)-one is found in cereals and cereal products. (R)-2-Hydroxy-2H-1,4-benzoxazin-3(4H)-one is a constituent of juvenile wheat (Triticum aestivum). Constituent of juvenile wheat (Triticum aestivum). (R)-2-Hydroxy-2H-1,4-benzoxazin-3(4H)-one is found in wheat and cereals and cereal products.
6-Methoxy-2(3H)-benzoxazolone
6-methoxy-2-benzoxazolinone is a 2-benzoxazolinone that is substituted by a methoxy group at position 6. It has a role as a plant metabolite, a muscle relaxant, an anticonvulsant, an antibacterial agent and an antifungal agent. It is a benzoxazole and an aromatic ether. It is functionally related to a 2-benzoxazolinone. Coixol is a natural product found in Scoparia dulcis, Oceanapia, and other organisms with data available. Isolated from roots of Coix lacryma jobi (Jobs tears) and from seedlings of wheat, corn and rye. 6-Methoxy-2(3H)-benzoxazolone is found in many foods, some of which are cereals and cereal products, corn, alcoholic beverages, and coffee and coffee products. 6-Methoxy-2(3H)-benzoxazolone is found in alcoholic beverages. 6-Methoxy-2(3H)-benzoxazolone is isolated from roots of Coix lacryma jobi (Jobs tears) and from seedlings of wheat, corn and rye. Coixol (6-Methoxy-2-benzoxazolinone;6-MBOA) is a polyphenol extracted from coix (Coix lachryma-jobi?L.var.ma-yuen?Stapf) with antimicrobial and antitumor activities[1]. Coixol (6-Methoxy-2-benzoxazolinone;6-MBOA) is a polyphenol extracted from coix (Coix lachryma-jobi?L.var.ma-yuen?Stapf) with antimicrobial and antitumor activities[1].
4-Hydroxybenzyl isothiocyanate
4-Hydroxybenzyl isothiocyanate is found in herbs and spices. 4-Hydroxybenzyl isothiocyanate is obtained from white mustard seeds (Sinapis alba). 4-Hydroxybenzyl isothiocyanate is formed from 4-Hydroxybenzyl glucosinolate
Ethiin
Constituent of numerous Allium subspecies Ethiin is found in many foods, some of which are sour cherry, wax gourd, arrowroot, and silver linden. Ethiin is found in onion-family vegetables. Ethiin is a constituent of numerous Allium species.
Noradrenochrome
Noradrenochrome is an aminochrome and is closely related to adrenochrome and dopaminochrome. This compound is present in human brain, induces a combination of neurotoxic and mind-mood altering effect, and is therapeutic for the treatment of schizophrenia. [HMDB] Noradrenochrome is an aminochrome and is closely related to adrenochrome and dopaminochrome. This compound is present in human brain, induces a combination of neurotoxic and mind-mood altering effect, and is therapeutic for the treatment of schizophrenia.
Arsenocholine
Arsenocholine is found in crustaceans. Claimed isolation from marine crustacea (prawns
8-Oxoguanine
8-oxoguanine belongs to the family of Purinones. These are purines in which the purine moiety bears a ketone.
Benzeneacetaldehyde, 4-hydroxy-.alpha.-oxo-, aldoxime
2-Amino-3-(2-hydroxy-ethylsulfanyl)-propionic acid
Methionine sulfoxide
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; QEFRNWWLZKMPFJ-UHFFFAOYSA-N_STSL_0131_Methionine sulfoxide_2000fmol_180425_S2_LC02_MS02_81; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. relative retention time with respect to 9-anthracene Carboxylic Acid is 0.052 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.050 L-Methionine sulfoxide (H-Met(O)-OH), a metabolite of Methionine, induces M1/classical macrophage polarization, and modulates oxidative stress and purinergic signaling parameters[1]. Methionine sulfoxide is an oxidation product of methionine with reactive oxygen species and can be regarded as a biomarker of oxidative stress in vivo. Methionine sulfoxide is an oxidation product of methionine with reactive oxygen species and can be regarded as a biomarker of oxidative stress in vivo.
Phthalamic acid
CONFIDENCE standard compound; INTERNAL_ID 2791 CONFIDENCE standard compound; INTERNAL_ID 8700
H-Met(O)-OH
L-Methionine sulfoxide (H-Met(O)-OH), a metabolite of Methionine, induces M1/classical macrophage polarization, and modulates oxidative stress and purinergic signaling parameters[1].
Arsenocholine
An arsonium ion that is choline in which the central nitrogen has been replaced by arsenic.
(1R,2S)-(-)-2-Amino-1-cyclopentanecarboxylic acid hydrochloride
(1S,2S)-2-Aminocyclopentanecarboxylic acid hydrochloride
(1R,2R)-2-Aminocyclopetanecarboxylic acid hydrochloride
1H-Pyrrole-2-carboxylicacid,3-amino-4-cyano-,methylester(9CI)
(R)-Methyl pyrrolidine-3-carboxylate hydrochloride
3-HYDROXY-4-METHYLAMINOTETRAHYDROTHIOPHENE, 1,1-DIOXIDE
Methyl cis-3-aminocyclobutanecarboxylate hydrochloride (1:1)
6H-Furo[2,3-b]pyrrole-5-carboxylicacid,6-methyl-(9CI)
1H-Imidazo[1,2-b]pyrazole-6-carboxylicacid,2-methyl-(9CI)
(S)-Methyl pyrrolidine-3-carboxylate hydrochloride
2-Cyano-6-fluorophenylboronic acid
C7H5BFNO2 (165.03973520000002)
Methyl 1-aminocyclobutanecarboxylate hydrochloride
(1R,2S)-2-Aminocyclopentanecarboxylic acid hydrochloride
potassium[(dimethylamino)methyl]trifluoroborate
C3H8BF3KN (165.03389339999998)
5-CYANO-2-FLUOROBENZENEBORONIC ACID
C7H5BFNO2 (165.03973520000002)
(3-Cyano-5-fluorophenyl)boronic acid
C7H5BFNO2 (165.03973520000002)
3,3-Dimethoxy-2-(hydroxymethylene)propionitrile sodium salt
(4-Cyano-3-fluorophenyl)boronic acid
C7H5BFNO2 (165.03973520000002)
1-Acetyl-2-amino-4,5-dihydro-4-oxo-1H-pyrrole-3-carbonitrile
(1S,3R)-3-AMINOCYCLOPENTANECARBOXYLIC ACID HYDROCHLORIDE
1,5-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
methyl 3-aminocyclobutane-1-carboxylate hydrochloride
1H-Imidazole-5-carboxylic acid,4-(cyanomethyl)-2-methyl-
METHYL 2-(1-AMINOCYCLOPROPYL)ACETATE HYDROCHLORIDE
4-Oxo-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid
(2-Cyano-4-fluorophenyl)boronic acid
C7H5BFNO2 (165.03973520000002)
1-ETHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE
Isoxazolo[4,5-d]pyridazin-4(5H)-one,3,7-dimethyl-(9CI)
3-Cyano-4-fluorobenzeneboronic acid
C7H5BFNO2 (165.03973520000002)
methyl trans-3-amino-cyclobutanecarboxylate hydrochloride
2-(AMINOMETHYL)-5-(TRIFLUOROMETHYL)FURAN 971-[5-(TRIFLUOROMETHYL)-2-FURYL]METHYLAMINE
(1s,3s)-methyl 3-aminocyclobutane carboxylate hydrochloride
1-(5-Methyl-1,3,4-thiadiazol-2-yl)methanamine hydrochloride (1:1)
(1S,2R)-(+)-2-Amino-1-cyclopentanecarboxylic acid hydrochloride
3-Amino-1,1,1-trifluoro-propan-2-ol
C3H7ClF3NO (165.01682379999997)
1H-Pyrazolo[3,4-b]pyridine-3,6(2H,7H)-dione,4-methyl-
Azetidin-3-yl-acetic acid methyl ester hydrochloride
1H-Pyrrolizine-3-carboxylicacid,2,3-dihydro-1-oxo-(9CI)
1H-Imidazole-5-carboxylic acid, 4-cyano-, ethyl ester
1,2-DIHYDRO-4-HYDROXY-6-METHYL-3H-PYRAZOLO[3,4-B]PYRIDIN-3-ONE
1H-1,2,4-Triazole, 1-(trifluoroacetyl)- (9CI)
C4H2F3N3O (165.01499579999998)
4-Cyano-2-fluorophenylboronic acid
C7H5BFNO2 (165.03973520000002)
(2E)-4-(Dimethylamino)-2-butenoic acid hydrochloride (1:1)
trans-3-aminocyclopentane-1-carboxylic acid hydrochloride
2,3-dihydro[1,4]dioxino[2,3-c]pyridine-7-carbaldehyde
Methyl 2-(2-chloro-1-iminoethyl)hydrazinecarboxylate
C4H8ClN3O2 (165.03050180000002)
1-Methyl-3-pyrrolidinecarboxylic acid hydrochloride
2,3-DIHYDRO[1,4]DIOXINO[2,3-B]PYRIDINE-6-CARBALDEHYDE
2,3-Dihydro-[1,4]dioxino[2,3-b]pyridine-7-carbaldehyde
2-(Cyanomethyl)-3-furancarboxylic acid methyl ester
2,5-dimethyl-6H-[1,3]oxazolo[5,4-d]pyrimidin-7-one
L-Methionine (S)-S-oxide
The (S)-oxido diastereomer of L-methionine S-oxide.
L-Methionine (R)-S-oxide
The (R)-oxido diastereomer of L-methionine S-oxide.
Coixol
Coixol (6-Methoxy-2-benzoxazolinone;6-MBOA) is a polyphenol extracted from coix (Coix lachryma-jobi?L.var.ma-yuen?Stapf) with antimicrobial and antitumor activities[1]. Coixol (6-Methoxy-2-benzoxazolinone;6-MBOA) is a polyphenol extracted from coix (Coix lachryma-jobi?L.var.ma-yuen?Stapf) with antimicrobial and antitumor activities[1].
3-(2-Hydroxyphenyl)propanoate
A monocarboxylic acid anion that is obtained by removal of a proton from the carbosylic acid group of 3-(2-hydroxyphenyl)propanoic acid.
3-(3-Hydroxyphenyl)propanoate
A monocarboxylic acid anion that is the conjugate base of 3-(3-hydroxyphenyl)propanoic acid.
Phloretate
A hydroxy monocarboxylic acid anion that is the conjugate base of phloretic acid, arising from deprotonation of the carboxy group.
3-Phenyllactate
A 2-hydroxy carboxylate that results from the removal of a proton from the carboxylic acid group of 3-phenyllactic acid.
PYRIDINE-2,6-dicarboxylate
D064449 - Sequestering Agents > D002614 - Chelating Agents D004791 - Enzyme Inhibitors
(R)-3-Phenyllactate
A (2R)-2-hydroxy monocarboxylic acid anion resulting from the removal of a proton from the carboxylic acid group of (R)-3-phenyllactic acid.
L-Lyxonate
A lyxonate that is the conjugate base of L-lyxonic acid, obtained by the deprotonation of the carboxy group.
Tropate
A hydroxy monocarboxylic acid anion that results from the deprotonation of the carboxylic acid group of tropic acid.
D-lyxonate
A lyxonate that is the conjugate base of D-lyxonic acid, obtained by the deprotonation of the carboxy group.
[(3S)-3-amino-3-carboxypropyl]-oxido-oxophosphanium
[(3R)-3-carboxy-3-hydroxypropyl]-dimethylsulfanium
C6H13O3S+ (165.05853679999998)
(S)-3-Phenyllactate
A (2S)-2-hydroxy monocarboxylic acid anion resulting from the removal of a proton from the carboxylic acid group of (S)-3-phenyllactic acid.
(3-Carboxy-3-hydroxypropyl)-dimethylsulfanium
C6H13O3S+ (165.05853679999998)
N-Formylanthranilic acid
An amidobenzoic acid consisting of anthranilic acid carrying an N-formyl group.
5-Pyridoxolactone
A furopyridine that is furo[3,4-c]pyridin-3(1H)-one substituted by a hydroxy group at position 7 and a methoxy group at position 6. It is a metabolite of vitamin B6.
Methionine S-oxide
The S-oxide derivative of methionine. It is a biomarker of oxidative stress.
2-Hydroxy-1,4-benzoxazin-3-one
A benzoxazine bearing hydroxy and oxo substituents at positions 2 and 3 respectively.
L-methionine (R)-S-oxide zwitterion
Zwitterionic form of L-methionine (R)-S-oxide.
6-methoxy-2-benzoxazolinone
A 2-benzoxazolinone that is substituted by a methoxy group at position 6.
dipicolinate(2-)
A pyridinedicarboxylate that is the conjugate base of dipicolinate(1-)
3-thio-L-aspartic acid
A sulfur-containing amino acid that is L-aspartic acid substituted at position 3 by a thio (sulfanyl) group.
2-aminophenylglyoxylic acid
A 2-oxo monocarboxylic acid that is glyoxylic acid in which the aldehydic hydrogen is replaced by a 2-aminophenyl group.
piperonylate
A monocarboxylic acid anion that is the conjugate base of piperonylic acid resulting from the deprotonation of the carboxy group; major species at pH 7.3.
L-methionine (S)-S-oxide zwitterion
Zwitterionic form of L-methionine (S)-S-oxide.
Vigabatrin (hydrochloride)
Vigabatrin hydrochloride (γ-Vinyl-GABA hydrochloride), a inhibitory neurotransmitter GABA vinyl-derivative, is an orally active and irreversible GABA transaminase inhibitor. Vigabatrin hydrochloride is an antiepileptic agent, which acts by increasing GABA levels in the brain by inhibiting the catabolism of GABA by GABA transaminase[1][2][3].
(2r)-sodium 3-phenyllactate
{"Ingredient_id": "HBIN006555","Ingredient_name": "(2r)-sodium 3-phenyllactate","Alias": "NA","Ingredient_formula": "C9H9O3-","Ingredient_Smile": "C1=CC=C(C=C1)CC(C(=O)[O-])O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "20018","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-hydroxy ethyl benzoate
{"Ingredient_id": "HBIN010538","Ingredient_name": "4-hydroxy ethyl benzoate","Alias": "NA","Ingredient_formula": "C9H9O3-","Ingredient_Smile": "C1=CC(=CC=C1CCO)C(=O)[O-]","Ingredient_weight": "165.17 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38328","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "22257526","DrugBank_id": "NA"}
