Exact Mass: 173.07014220000002
Exact Mass Matches: 173.07014220000002
Found 500 metabolites which its exact mass value is equals to given mass value 173.07014220000002,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Quinaldic acid
Quinaldic acid, also known as quinaldate, 2-carboxyquinoline, or quinoline-2-carboxylic acid, belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions. The quinoline ring system is a double-ring structure composed of a benzene and a pyridine ring fused at two adjacent carbon atoms. Quinaldic acid is a quinoline having a carboxy group at the 2-position. It is a solid that is moderately soluble in water with a melting point of 156°C. Quinaldic acid is a metabolite of tryptophan degradation that is formed via the kynurenine pathway; it is formed through the dehydroxylation of the intermediate kynurenic acid (PMID: 13385219). It is excreted in urine, and its urine concentration is decreased in individuals suffering from chronic alcoholism (PMID: 25754126). Quinaldic acid has been shown to inhibit proinsulin synthesis in pancreatic islet cells (PMID: 373355). Quinaldic acid has been shown to have anti-proliferative or anti-tumour effects and has been found to alter the expression of the p53 tumour suppressor gene as well as the phosphorylation of the p53 protein in in vitro studies (PMID: 30780127). A product of l-tryptophan catabolism, via kynurenic acid, found in human urine. [HMDB] Quinoline-2-carboxylic acid is an endogenous metabolite.
1,2,5,6-Tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one
1,2,5,6-Tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one is a fungicide against rice blast disease. Fungicide against rice blast disease
Deisopropylatrazine
CONFIDENCE standard compound; INTERNAL_ID 140; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6172; ORIGINAL_PRECURSOR_SCAN_NO 6168 CONFIDENCE standard compound; INTERNAL_ID 140; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6175; ORIGINAL_PRECURSOR_SCAN_NO 6173 CONFIDENCE standard compound; INTERNAL_ID 140; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6181; ORIGINAL_PRECURSOR_SCAN_NO 6180 CONFIDENCE standard compound; INTERNAL_ID 140; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6202; ORIGINAL_PRECURSOR_SCAN_NO 6200 CONFIDENCE standard compound; INTERNAL_ID 140; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6192; ORIGINAL_PRECURSOR_SCAN_NO 6191 CONFIDENCE standard compound; EAWAG_UCHEM_ID 287 CONFIDENCE standard compound; INTERNAL_ID 2539 CONFIDENCE standard compound; INTERNAL_ID 3726 CONFIDENCE standard compound; INTERNAL_ID 4030 CONFIDENCE standard compound; INTERNAL_ID 8411 KEIO_ID A203
N-Acetyl-L-glutamate 5-semialdehyde
N-Acetyl-L-glutamate 5-semialdehyde is an intermediate in Urea cycle and metabolism of amino groups. N-Acetyl-L-glutamate 5-semialdehyde is the. second to last step in the synthesis of L-Ornithine and is converted. from N-Acetyl-L-glutamate 5-phosphate via the enzyme N-acetyl-gamma-glutamyl-phosphate reductase (EC 1.2.1.38). It is then converted to N-Acetylornithine via the enzyme acetylornithine aminotransferase (EC 2.6.1.11). N-Acetyl-L-glutamate 5-semialdehyde is an intermediate in Urea cycle and metabolism of amino groups. N-Acetyl-L-glutamate 5-semialdehyde is the
2-Oxoarginine
2-Oxoarginine is a guanidino compound metabolite of arginine catabolism. 2-Oxoarginine levels are increased in patients with argininemia (OMIM:207800). Argininemia, characterized by arginase deficiency (EC 3.5.3.1, catalyzes the last step of the urea cycle) is an autosomal recessive inborn error of metabolism caused by a defect in the final step in the urea cycle, the hydrolysis of arginine to urea and ornithine. Accumulation of arginine metabolites (such as guanidino compounds) especially 2-oxoarginine, may produce the central nervous system damage in argininemia. (PMID: 3433275 , 1588833 , 1690873 , 819629). 2-Oxoarginine has also been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID: 22626821). 2-Oxoarginine is a guanidino compound metabolite of arginine catabolism. 2-Oxoarginine levels are increased in patients with argininemia (OMIM:207800). Argininemia, characterized by arginase deficiency (EC 3.5.3.1, catalyzes the last step of the urea cycle) is an autosomal recessive inborn error of metabolism caused by a defect in the final step in the urea cycle, the hydrolysis of arginine to urea and ornithine. Accumulation of arginine metabolites (such as guanidino compounds) especially 2-oxoarginine, may produce the central nervous system damage in argininemia. (PMID: 3433275, 1588833, 1690873, 819629) [HMDB]
Triethylenephosphoramide
C6H12N3OP (173.07179519999997)
D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents
1-nitronaphthalene
1-nitronaphthalene is also known as Nitrol D009676 - Noxae > D002273 - Carcinogens
4-Amino-2-methyl-1-naphthol
Vitamin. 4-Amino-2-methyl-1-naphthol is used as a food preservative. Vitamin. It is used as a food preservative.
(1r,3r)-1-Aminocyclopentane-1,3-dicarboxylic acid
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D020011 - Protective Agents trans-ACPD, a metabotropic receptor agonist, produces calcium mobilization and an inward current in cultured cerebellar Purkinje neurons.
PAR_174.09141_15.0
CONFIDENCE Identification confirmed with Reference Standard synthesized at Eawag (Level 1); INTERNAL_ID 1402 INTERNAL_ID 1402; CONFIDENCE Identification confirmed with Reference Standard synthesized at Eawag (Level 1)
Me glycoside-alpha-D-Pyranose-4-Amino-2,3,4-trideoxy-erythro-hex-2-enuronic acid
(E)-4-(prop-1-enyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-5-one|4-propenyl-6,7-dihydro[2]pyrindin-5-one|loisianin D|louisianin D
2-Quinolinecarboxylic acid
Quinoline-2-carboxylic acid is an endogenous metabolite.
Quinaldic acid
A quinolinemonocarboxylic acid having the carboxy group at the 2-position. MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; LOAUVZALPPNFOQ-UHFFFAOYSA-N_STSL_0207_Quinaldic acid_0125fmol_180831_S2_L02M02_32; 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. Quinoline-2-carboxylic acid is an endogenous metabolite.
3-Methyl-1-phenyl-1H-pyrazol-5-amine
CONFIDENCE standard compound; INTERNAL_ID 1011; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4978; ORIGINAL_PRECURSOR_SCAN_NO 4976 CONFIDENCE standard compound; INTERNAL_ID 1011; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4993; ORIGINAL_PRECURSOR_SCAN_NO 4992 CONFIDENCE standard compound; INTERNAL_ID 1011; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5005; ORIGINAL_PRECURSOR_SCAN_NO 5002 CONFIDENCE standard compound; INTERNAL_ID 1011; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5023; ORIGINAL_PRECURSOR_SCAN_NO 5021 DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; CONFIDENCE standard compound; INTERNAL_ID 1011; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5023; ORIGINAL_PRECURSOR_SCAN_NO 5021 CONFIDENCE standard compound; INTERNAL_ID 1011; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5011; ORIGINAL_PRECURSOR_SCAN_NO 5010 CONFIDENCE standard compound; INTERNAL_ID 1011; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5012; ORIGINAL_PRECURSOR_SCAN_NO 5010
2-Quinolinecarboxylate
Quinoline-2-carboxylic acid is an endogenous metabolite.
5-(2-ETHOXY-ETHYL)-[1,3,4]THIADIAZOL-2-YLAMINE
C6H11N3OS (173.06227959999998)
2-Hydroxy-2-phenylethanaminium chloride
C8H12ClNO (173.06073719999998)
3-HYDROXYPHENETHYLAMINE HYDROCHLORIDE
C8H12ClNO (173.06073719999998)
1,3,5-Triazine-2,4-diamine,6-chloro-N2,N2-dimethyl-
1-(2-FURAN-2-YL-IMIDAZO[1,2-A]PYRIDIN-3-YLMETHYL)-PIPERIDINE-4-CARBOXYLICACID
(S)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-5-AMINE HYDROCHLORIDE
C7H12ClN3 (173.07197019999998)
(R)-3-(1-aminoethyl)phenol hydrochloride
C8H12ClNO (173.06073719999998)
2,5-dibromopiperidine
Cis-piperidine-2,3-dicarboxylic acid is a non-specific antagonist of NMDA, AMPA and kainate ionotropic receptors and a partial agonist for NMDA receptors. Cis-piperidine-2,3-dicarboxylic acid can be used in blocking general excitatory synaptic transmissions[1].
5-tert-Butyl-2-(chloromethyl)oxazole
C8H12ClNO (173.06073719999998)
4,5,6,7-Tetrahydro-2H-indazol-3-ylaMine dihydrochloride
C7H12ClN3 (173.07197019999998)
TRANS-4-AMINOCYCLOHEXANE CARBOXYLIC ACID ETHYL ESTER
(1R,2S,6R,7S)-4,4-DIMETHYL-3,5-DIOXA-8-AZATRICYCLO[5.2.1.0(2,6)]DECAN-9-ONE
2-Amino-5-ethylphenol hydrochloride (1:1)
C8H12ClNO (173.06073719999998)
Tyramine
C8H12ClNO (173.06073719999998)
Tyramine hydrochloride is an amino acid that helps regulate blood pressure. Tyramine hydrochloride occurs naturally in the body, and it's found in certain foods[1].
1-(3-METHOXYPHENYL)-2,5-DIHYDRO-1H-PYRROLE-2,5-DIONE
Oxaceprol
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018501 - Antirheumatic Agents D003879 - Dermatologic Agents D - Dermatologicals
O-(4-METHYLBENZYL)HYDROXYLAMINE HYDROCHLORIDE
C8H12ClNO (173.06073719999998)
(R)-2-TERT-BUTOXYCARBONYLAMINO-3-(2-HYDROXY-PHENYL)-PROPIONICACID
C8H12ClNO (173.06073719999998)
(4-METHYLPIPERIDINO)(3-PIPERIDINYL)METHANONEHYDROCHLORIDE
2-isocyano-4-(methylthio)butyric acid methyl ester
Spiro[cyclopentane-1,2-[2H]imidazo[4,5-b]pyridine] (9CI)
[2-(Aminooxy)ethyl]benzene hydrochloride (1:1)
C8H12ClNO (173.06073719999998)
Pyrimido[1,2-a]benzimidazole, 1,2,3,4-tetrahydro- (8CI,9CI)
N-Methyl-p-anisidine hydrochloride ,98
C8H12ClNO (173.06073719999998)
1,4,5,6,7,8-hexahydropyrazolo[3,4-d]azepine,hydrochloride
C7H12ClN3 (173.07197019999998)
2-hydroxy-n-methylbenzylamine hydrochloride
C8H12ClNO (173.06073719999998)
4-(Dimethylamino)phenol hydrochloride
C8H12ClNO (173.06073719999998)
3-(chloromethyl)-5-(2-methylpropyl)-1,2-oxazole
C8H12ClNO (173.06073719999998)
4-BUTYL-5-MERCAPTO-4H-1,2,4-TRIAZOL-3-OL
C6H11N3OS (173.06227959999998)
4-methyl-3-amino-2-(methoxycarbonyl)-4,5-dihydrothiophene
Pyrrolidine, 1-(2-fluoro-1,3-dioxobutyl)- (9CI)
C8H12FNO2 (173.08520240000001)
3-Methoxy-2-methylaniline hydrochloride
C8H12ClNO (173.06073719999998)
(4-(AMINOMETHYL)PHENYL)METHANOL HYDROCHLORIDE
C8H12ClNO (173.06073719999998)
2-Ethyl-3-hydroxy-6-methylpyridine hydrochloride
C8H12ClNO (173.06073719999998)
(2-Methoxyphenyl)methanamine hydrochloride
C8H12ClNO (173.06073719999998)
1H-Pyrrolo[2,3-c]pyridine-7-carbonitrile,4-methoxy-(9CI)
1H-Benzimidazole-5-carbonitrile,2-(hydroxymethyl)-(9CI)
7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline
dl-b-hydroxyphenethylamine hydrochloride
C8H12ClNO (173.06073719999998)
N-pyridin-4-ylethane-1,2-diamine,hydrochloride
C7H12ClN3 (173.07197019999998)
4-Pyrimidinamine,N-ethyl-2,6-difluoro-5-methyl-(9CI)
2-Amino-1-phenylethanol hydrochloride
C8H12ClNO (173.06073719999998)
quinoline-3-carboxylic acid
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
1H-Benzimidazole-5-carbonitrile,2,3-dihydro-1-methyl-2-oxo-(9CI)
1H-Pyrrole, 1-[(1,1-dimethylethyl)sulfinyl]-2,5-dihydro-
3-(4-CHLORO-3-METHYL-PYRAZOL-1-YL)-PROPYLAMINE
C7H12ClN3 (173.07197019999998)
1H-Imidazole-4-carboxaldehyde,2-(2-pyridinyl)- (9CI)
7-BROMO-1,2,3,4-TETRAHYDROISOQUINOLINEHYDROCHLORIDE
(+/-)-1-aminocyclopentane-cis-1,2-dicarboxylic acid
1H-Imidazole-4-carboxaldehyde,2-(3-pyridinyl)- (9CI)
1H-Imidazole-4-carboxaldehyde,2-(4-pyridinyl)- (9CI)
1-(2-Hydroxyethyl)-5-oxopyrrolidine-3-carboxylic acid
1,5-methano-2-oxo-2,3,4,5-tetrahydro-1H-3-benzazepine
3-(2-Pyridyl)-1-propanol Hydrochloride
C8H12ClNO (173.06073719999998)
6-(3-pyridinyl)-3(2H)-pyridazinone(SALTDATA: FREE)
(2S,5R)-5-(Carboxymethyl)pyrrolidine-2-carboxylic acid
(2R,5R)-5-(carboxymethyl)pyrrolidine-2-carboxylic acid
Nitronaphthalene
A mononitronaphthalene substituted by a nitro group at position 1. D009676 - Noxae > D002273 - Carcinogens
(3R,4S,5R)--3,4,5-trihydroxycyclohex-1-ene-1-carboxylate
N-formimidoyl-L-glutamate(1-)
Conjugate base of N-formimidoyl-L-glutamic acid having both carboxy groups in anionic form and the imine nitrogen protonated. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
4,7-Dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile
(5S)-2,5-dihydroxy-5-(hydroxymethyl)-3-oxocyclohex-1-en-1-olate
1-Aminocyclopropanecarboxylic acid, trimethylsilyl ester
Deisopropylatrazine
A diamino-1,3,5-triazine that is N-ethyl-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6.
Triethylenephosphoramide
C6H12N3OP (173.07179519999997)
D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents
5-guanidino-2-oxopentanoic acid zwitterion
Zwitterionic form of 5-guanidino-2-oxopentanoic acid.
7-(methylthio)heptanonitrile oxide
A nitrile oxide that is hexane in which two of the terminal methyl hydrogens at positions 1 and 6 have been replaced by oxidonitrile and methylsulfanyl groups.
2-Acetamido-5-oxopentanoic acid
A glutamic semialdehyde that is L-glutamate 5-semialdehyde in which one of the hydrogens of the amino group has been replaced by an acetyl group.
5-Guanidino-2-oxopentanoic acid
A 2-oxo monocarboxylic acid that is 2-oxopentanoic acid in which one of the methyl hydrogens is substituted by a carbamimidamido group.
(5S)-5-(carboxymethyl)-L-proline
A L-proline derivative that is L-proline substituted at position 5 by a carboxymethyl group.
8-Methoxy-2-methylquinoline
{"Ingredient_id": "HBIN013802","Ingredient_name": "8-Methoxy-2-methylquinoline","Alias": "NA","Ingredient_formula": "C11H11NO","Ingredient_Smile": "CC1=NC2=C(C=CC=C2OC)C=C1","Ingredient_weight": "173.21 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37320","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "316986","DrugBank_id": "NA"}
α-keto-δ-guanidino-valericacid
{"Ingredient_id": "HBIN015573","Ingredient_name": "\u03b1-keto-\u03b4-guanidino-valericacid","Alias": "NA","Ingredient_formula": "C6H11N3O3","Ingredient_Smile": "C(CC(=O)C(=O)O)CN=C(N)N","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "12196","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}