Exact Mass: 165.046
Exact Mass Matches: 165.046
Found 500 metabolites which its exact mass value is equals to given mass value 165.046,
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.
7-Methylguanine
7-Methylguanine is a metabolite of DNA methylation and depurination observed in normal human biofluids; however, it has been found significantly higher in the urine of smokers than in nonsmokers. (PMID 16059882). 7-Methylguanine has been identified in the human placenta (PMID: 32033212). 7-Methylguanine is a metabolite of DNA methylation and depurination observed in normal human biofluids; however, it has been found significantly higher in the urine of smokers than in nonsmokers. (PMID 16059882) [HMDB] KEIO_ID M043
3-Methylguanine
3-Methylguanine is a methylated purine base. Methylated purine bases are known to be present in normal urine and to change under pathological conditions, in particular in the development of leukemia, tumors and immunodeficiency, by the altered turnover of nucleic acids typical of these diseases. (PMID 9069642) [HMDB] 3-Methylguanine is a methylated purine base. Methylated purine bases are known to be present in normal urine and to change under pathological conditions, in particular in the development of leukemia, tumors and immunodeficiency, by the altered turnover of nucleic acids typical of these diseases. (PMID 9069642). KEIO_ID M042
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].
1-Methylguanine
1-Methylguanine is a naturally occurring modified purine derived from tRNA, found in elevated levels in the serum and urine of cancer patients (PMID:2413515). Increase of 1-methylguanine in the urine of colorectal tumor bearing patients, has been justified either by a more rapid turnover of nucleic acids in tumor tissue or by an increase in the extent of their methylation (PMID:9069642). Present in Chinese cabbage (Brassica chinensis), and other plants
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
N2-Methylguanine
N2-Methylguanine is a modified nucleoside. N2-Methylguanine is an endogenous methylated nucleoside found in human fluids; methylated purine bases are present in higher amounts in tumor-bearing patients compared to healthy controls. Human exposure to carcinogenic alkylating agents can lead to the formation of covalently bound adducts in DNA, some of which are excreted in urine as alkylated purines following DNA degrdn. and repair; the N2 position of guanine is one of the major sites for DNA modification by various carcinogens. Measurements of RNA or DNA catabolites in urine can be used as a measure for the metabolism of each of the three major species of RNA. An accumulation of modified ribonucleosides appears in the serum of uremic patients. (PMID: 16527824, 16061253, 8043914, 2428556, 7159514, 9607216) [HMDB] N2-Methylguanine is a modified nucleoside. N2-Methylguanine is an endogenous methylated nucleoside found in human fluids; methylated purine bases are present in higher amounts in tumor-bearing patients compared to healthy controls. Human exposure to carcinogenic alkylating agents can lead to the formation of covalently bound adducts in DNA, some of which are excreted in urine as alkylated purines following DNA degrdn. and repair; the N2 position of guanine is one of the major sites for DNA modification by various carcinogens. Measurements of RNA or DNA catabolites in urine can be used as a measure for the metabolism of each of the three major species of RNA. An accumulation of modified ribonucleosides appears in the serum of uremic patients. (PMID: 16527824, 16061253, 8043914, 2428556, 7159514, 9607216).
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-hydroxy-6-methylaminopurine|2-hydroxy-N6-methyladenine|6-Methylamino-2-hydroxy-purin|6-methylamino-3,7(9)-dihydro-purin-2-one
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.
2-AMINO-5-METHYL-4H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-ONE
(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
Methyl 1-aminocyclobutanecarboxylate hydrochloride
(1R,2S)-2-Aminocyclopentanecarboxylic acid hydrochloride
3,3-Dimethoxy-2-(hydroxymethylene)propionitrile sodium salt
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
1-ETHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE
Isoxazolo[4,5-d]pyridazin-4(5H)-one,3,7-dimethyl-(9CI)
methyl trans-3-amino-cyclobutanecarboxylate hydrochloride
2-(AMINOMETHYL)-5-(TRIFLUOROMETHYL)FURAN 971-[5-(TRIFLUOROMETHYL)-2-FURYL]METHYLAMINE
(1s,3s)-methyl 3-aminocyclobutane carboxylate hydrochloride
(1S,2R)-(+)-2-Amino-1-cyclopentanecarboxylic acid hydrochloride
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
(2E)-4-(Dimethylamino)-2-butenoic acid hydrochloride (1:1)
trans-3-aminocyclopentane-1-carboxylic acid hydrochloride
4-amino-3-methyl-1,2,7,8-tetrazabicyclo[4.3.0]nona-3,6,8-trien-5-one
2,3-dihydro[1,4]dioxino[2,3-c]pyridine-7-carbaldehyde
Methyl 2-(2-chloro-1-iminoethyl)hydrazinecarboxylate
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.
(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.
D-lyxonate
A lyxonate that is the conjugate base of D-lyxonic acid, obtained by the deprotonation of the carboxy group.
[(3R)-3-carboxy-3-hydroxypropyl]-dimethylsulfanium
(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.
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.
3-Methylguanine
A 3-methylguanine that is 3,7-dihydro-6H-purin-6-one substituted by an amino group at position 2 and a methyl group at position 3.
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-hydroxymethyladenine
A 6-alkylaminopurine that is adenine where one of the hydrogens of the amino group is replaced by a hydroxymethyl group.
2-amino-3-methyl-3,9-dihydro-6H-purin-6-one
A 3-methylguanine that is 3,9-dihydro-6H-purin-6-one substituted by an amino group at position 2 and a methyl group at position 3.
2-imino-3-methyl-1,2,3,9-tetrahydro-6H-purin-6-one
A 3-methylguanine that is 1,2,3,9-tetrahydro-6H-purin-6-one substituted by an imino group at position 2 and a methyl group at position 3.
2-imino-7-methyl-1,2,3,7-tetrahydro-6H-purin-6-one
A 7-methylguanine that is 1,2,3,7-tetrahydro-6H-purin-6-one substituted by an imino group at position 2 and a methyl group at position 7.
2-amino-7-methyl-7H-purin-6-ol
A 7-methylguanine that is 7H-purine substituted by an amino group at position 2, a methyl group at position 7 and a hydroxy group at position 6.
2-amino-7-methyl-1,7-dihydro-6H-purin-6-one
A 7-methylguanine that is 1,7-dihydro-6H-purin-6-one substituted by an amino group at position 2 and a methyl group at position 7.
N(2)-Methylguanine
A methylguanine in which the methyl group is located at the N2-position.
6-methoxy-2-benzoxazolinone
A 2-benzoxazolinone that is substituted by a methoxy group at position 6.
2-aminophenylglyoxylic acid
A 2-oxo monocarboxylic acid that is glyoxylic acid in which the aldehydic hydrogen is replaced by a 2-aminophenyl group.
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"}
