Exact Mass: 249.0167
Exact Mass Matches: 249.0167
Found 301 metabolites which its exact mass value is equals to given mass value 249.0167,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Clothianidin
CONFIDENCE standard compound; INTERNAL_ID 50; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6612; ORIGINAL_PRECURSOR_SCAN_NO 6610 CONFIDENCE standard compound; INTERNAL_ID 50; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3164; ORIGINAL_PRECURSOR_SCAN_NO 3162 CONFIDENCE standard compound; INTERNAL_ID 50; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3102; ORIGINAL_PRECURSOR_SCAN_NO 3100 CONFIDENCE standard compound; INTERNAL_ID 50; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6570; ORIGINAL_PRECURSOR_SCAN_NO 6567 CONFIDENCE standard compound; INTERNAL_ID 50; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3103; ORIGINAL_PRECURSOR_SCAN_NO 3100 CONFIDENCE standard compound; INTERNAL_ID 50; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3120; ORIGINAL_PRECURSOR_SCAN_NO 3119 CONFIDENCE standard compound; INTERNAL_ID 50; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3100; ORIGINAL_PRECURSOR_SCAN_NO 3098 CONFIDENCE standard compound; INTERNAL_ID 50; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6580; ORIGINAL_PRECURSOR_SCAN_NO 6577 CONFIDENCE standard compound; INTERNAL_ID 50; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6605; ORIGINAL_PRECURSOR_SCAN_NO 6603 CONFIDENCE standard compound; INTERNAL_ID 50; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6531; ORIGINAL_PRECURSOR_SCAN_NO 6529 CONFIDENCE standard compound; INTERNAL_ID 50; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3091; ORIGINAL_PRECURSOR_SCAN_NO 3089 CONFIDENCE standard compound; INTERNAL_ID 50; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6599; ORIGINAL_PRECURSOR_SCAN_NO 6595 D010575 - Pesticides > D007306 - Insecticides > D000073943 - Neonicotinoids CONFIDENCE standard compound; INTERNAL_ID 8455 CONFIDENCE standard compound; INTERNAL_ID 2328 D016573 - Agrochemicals
Pyridoxine 5'-phosphate
Pyridoxine phosphate, also known as pyridoxine 5-phosphoric acid or pyridoxine 5-(dihydrogen phosphate), is a member of the class of compounds known as pyridoxine-5-phosphates. Pyridoxine-5-phosphates are pyridoxines that carry a phosphate group at the 5-position. Pyridoxine phosphate is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Pyridoxine phosphate can be found primarily in blood. Within the cell, pyridoxine phosphate is primarily located in the cytoplasm (predicted from logP). Pyridoxine phosphate exists in all living species, ranging from bacteria to humans. In humans, pyridoxine phosphate is involved in the vitamin B6 metabolism. Pyridoxine phosphate is also involved in hypophosphatasia, which is a metabolic disorder. Moreover, pyridoxine phosphate is found to be associated with obesity. Pyridoxine 5-phosphate is a substrate for Pyridoxine-5-phosphate oxidase and Pyridoxal kinase.
3,5-Dichloro-L-tyrosine
A chloroamino acid that is L-tyrosine carrying chloro- substituents at positions C-3 and C-5 of the benzyl group.
Alendronic acid
Alendronate (Fosamax, Merck) is a bisphosphonate drug used for osteoporosis and several other bone diseases. It is marketed alone as well as in combination with vitamin D (2,800 U, under the name Fosavance). [HMDB] Alendronate (Fosamax, Merck) is a bisphosphonate drug used for osteoporosis and several other bone diseases. It is marketed alone as well as in combination with vitamin D (2,800 U, under the name Fosavance). M - Musculo-skeletal system > M05 - Drugs for treatment of bone diseases > M05B - Drugs affecting bone structure and mineralization > M05BA - Bisphosphonates C78281 - Agent Affecting Musculoskeletal System > C67439 - Bone Resorption Inhibitor D050071 - Bone Density Conservation Agents > D004164 - Diphosphonates
Saclofen
D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists Saclofen is a competitive antagonist of the GABAB receptor with an IC50 of 7.8 μM. Saclofen can be used to determine the functional roles for the GABAB receptor as a mediator of slow inhibitory postsynaptic potentials in the brain[1].
Sulfapyridine
Sulfapyridine is only found in individuals that have used or taken this drug. It is an antibacterial, potentially toxic, used to treat certain skin diseases. [PubChem] Sulfapyridine is a competitive inhibitor of the bacterial enzyme dihydropteroate synthetase. The inhibited reaction is necessary in these organisms for the synthesis of folic acid by means of processing the substrate para-aminobenzoic acid (PABA). Dihydropteroate synthetase activity is vital in the synthesis of folate, and folate is required for cells to make nucleic acids, such as DNA or RNA. So if DNA molecules cannot be built, the cell cannot divide. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01EB - Short-acting sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides COVID info from PDB, Protein Data Bank D003879 - Dermatologic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Norepinephrine sulfate
Plasma norepinephrine sulfate increases after sympathetic nervous system activation by an exhausting incremental exercise test and remain elevated up to 2 h after exercise. (PMID: 8330610). Human platelets contribute to the formation of plasma norepinephrine sulfate by norepinephrine uptake, intraplatelet sulfoconjugation and release of norepinephrine sulfate. (PMID: 7968241). Higher concentrations of norepinephrine sulfate in portal venous than arterial plasma indicate substantial production of norepinephrine by mesenteric organs. (PMID: 8627312). Intravenously infused norepinephrine is sulfoconjugated in humans, indicating that a major part of NE is sulfoconjugated in blood or at sites easily accessible from blood. (PMID: 12020748). Plasma norepinephrine sulfate increases after sympathetic nervous system activation by an exhausting incremental exercise test and remain elevated up to 2 h after exercise. (PMID: 8330610)
5-[(4-Ethylphenyl)methylene]-2-thioxo-4-thiazolidinone
Erdosteine
R - Respiratory system > R05 - Cough and cold preparations > R05C - Expectorants, excl. combinations with cough suppressants > R05CB - Mucolytics C78273 - Agent Affecting Respiratory System > C74536 - Mucolytic Agent D019141 - Respiratory System Agents > D005100 - Expectorants
S-[(3R,3As,6S,6aS)-3-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] ethanethioate
Phaclofen
D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists Phaclofen is a selective GABAB receptor antagonist. Phaclofen is a peripheral and central baclofen antagonist. Phaclofen maybe a potential compound in determining the physiological significance of central and peripheral bicuculline-insensitive receptors with which GABA and (-)-baclofen interact[1][2].
2-[(2S)-2-Amino-3-carboxypropanoyl]oxybutanedioic acid
6,7-dimethoxy-2-methylisoquinoline-1,3,4(2H)-trione
Di-Me ether,N-formyl-3-Amino-6,7-dihydroxy-2H-1-benzopyran-2-one
3-Amino-4,5-bis(methylthio)thiophene-2-carboxylic acid methyl ester
2-Acetylamino-3,4-dihydro-4-oxopteridine-6-carboxylic acid
8-Hydroxy-4-methoxythiochinaldinsaeure-S-methylester
Phaclofen
D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists Phaclofen is a selective GABAB receptor antagonist. Phaclofen is a peripheral and central baclofen antagonist. Phaclofen maybe a potential compound in determining the physiological significance of central and peripheral bicuculline-insensitive receptors with which GABA and (-)-baclofen interact[1][2].
sulfapyridine
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01EB - Short-acting sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides COVID info from PDB, Protein Data Bank D003879 - Dermatologic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 2344 CONFIDENCE standard compound; INTERNAL_ID 4088 CONFIDENCE standard compound; EAWAG_UCHEM_ID 234 CONFIDENCE standard compound; INTERNAL_ID 1020
Clothianidin
An N-nitro compound consisting of 2-nitroguanidine having a (2-chloro-1,3-thiazol-5-yl)methyl group at position 1 and a methyl group at position 3. D010575 - Pesticides > D007306 - Insecticides > D000073943 - Neonicotinoids D016573 - Agrochemicals CONFIDENCE standard compound; EAWAG_UCHEM_ID 2933
ALENDRONIC ACID
M - Musculo-skeletal system > M05 - Drugs for treatment of bone diseases > M05B - Drugs affecting bone structure and mineralization > M05BA - Bisphosphonates C78281 - Agent Affecting Musculoskeletal System > C67439 - Bone Resorption Inhibitor D050071 - Bone Density Conservation Agents > D004164 - Diphosphonates
4-(3-Chloro-benzyl)-1H-pyrrole-3-carboxylic acid Methyl ester
3-amino-5-(4-methoxyphenyl)thiophene-2-carboxylic acid
methyl 2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
Benzamide, N-[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]-2-methyl- (9CI)
5-(3,4-Dimethoxy-phenyl)-isoxazole-3-carboxylic acid
5-(2,4-dimethyl-benzylidene)-2-thioxo-thiazolidin-4-one
6-CHLORO-2-METHYLQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
1H-Pyrazole-3-carboxylicacid, 4,5-dihydro-1-(4-nitrophenyl)-5-oxo-
methyl 3-amino-3-(4-chlorophenyl)propanoate hydrochloride
4-[(4-PYRIDINYLAMINO)CARBONYL]-2-THIAZOLECARBOXYLICACID
2-[2-(4-METHOXYPHENYL)-1,3-THIAZOL-4-YL]ACETIC ACID
2-HYDRAZONO-6-(TRIFLUOROMETHOXY)-2,3-DIHYDROBENZO[D]THIAZOLE
2-CHLORO-6-METHYL-5-(2-METHYL-1,3-THIAZOL-4-YL)NICOTINONITRILE
3-(METHYLTHIO)-1-PHENYL-1H-PYRAZOLE-4-CARBOTHIOAMIDE
6-Chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid
5-bromo-3-methylpyridine-2-carboximidamide,hydrochloride
3-[(2E)-1-Oxo-3-phenyl-2-propenyl]-2-thiazolidinethione
2-CYCLOPROPYLAMINOMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
2-(1H-Imidazol-1-yl)-6-(trifluoromethyl)pyridine hydrochloride
3-AMINO-3-(3,5-DICHLORO-4-HYDROXY-PHENYL)-PROPIONIC ACID
(r)-3-amino-4-(4-chlorophenyl)butanoic acid hydrochloride
{[4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO}ACETIC ACID
3-AMINO-4-(ISPROPYLSULFONYL)THIOPHENE-2-CARBOXYLIC ACID
PCPA methyl ester hydrochloride
PCPA methyl ester hydrochloride (4-Chloro-DL-phenylalanine methyl ester hydrochloride), a reversible tryptophan hydroxylase inhibitor, is a serotonin (5-HT) synthesis inhibitor. PCPA methyl ester hydrochloride crosses the blood brain barrier and reduces 5-HT central availability[1][2].
(2S)-4-(1,3-Dioxoisoindolin-2-yl)-2-hydroxybutanoic acid
3-AMINO-3-(4-TRIFLUOROMETHOXY-PHENYL)-PROPIONIC ACID
6-AMINO-2-(4-CHLORO-PHENYL)-PYRIMIDINE-4-CARBOXYLIC ACID
N-(2-hydroxyethyl)-N-[hydroxy(methoxy)phosphoryl]-methoxyphosphonamidic acid
4-bromomethyl-2,2,5,5-tetramethyl-3-imida-zoline-3-oxide-1-oxyl free radical
2-AMINO-1-[4-(METHYLSULFONYL)PHENYL]-1-ETHANONE HYDROCHLORIDE
Pyridinium,3-carboxy-1-(phenylmethyl)-, chloride (1:1)
5-[(4-Ethylphenyl)methylene]-2-thioxo-4-thiazolidinone
2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
7-chloro-2-(3-methylimidazol-4-yl)thieno[3,2-b]pyridine
7-CHLORO-2-METHYL-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
7-Chloro-6-nitro-4-oxo-1,4-dihydro-3-quinolinecarbonitrile
8-Chloro-4-hydroxy-6-nitro-3-quinolinecarbonitrile
2,2,2-Trifluoro-N-(6-oxo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)acetamide
1H-Carbazole-2-carboxylic acid, 7-chloro-2,3,4,9-tetrahydro-
2-METHYL-2-(5-(TRIFLUOROMETHYL)PYRIDIN-2-YLOXY)PROPANOIC ACID
5-Methyl-1-[2-(methylsulfonyloxy)ethyl]-2-nitro-1H-imidazole
3-Quinolinecarboxylic acid, 2-(chloromethyl)-4-methyl-, methyl ester
Cobalt(2+),pentaamminechloro-, chloride (1:2), (OC-6-22)-
2-(4-hydroxy-phenyl)-thiazole-4-carboxylic acid ethyl ester
ETHYL 4-HYDROXY-2-PHENYL-1,3-THIAZOLE-5-CARBOXYLATE
2-(2-METHOXY-ETHYL)-1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOLE-5-CARBOXYLIC ACID
7-(METHYLTHIO)-1-(PROP-2-YNYL)-1H-PYRIMIDO[4,5-D][1,3]OXAZINE-2,4-DIONE
4-Chloro-5-(5-methoxy-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridine
3-AMINO-3-(2-TRIFLUOROMETHOXY-PHENYL)-PROPIONIC ACID
POLY(ACRYLONITRILE-CO-VINYLIDENE CHLORIDE-CO-METHYL METHACRYLATE)
ETHYL 2-(3,5-DICHLORO-4-OXO-1,4-DIHYDROPYRIDIN-1-YL)ACETATE
(s)-3-amino-4-(4-chlorophenyl)butanoic acid hydrochloride
(S)-3-Amino-4-(2-chlorophenyl)butyric acid hydrochloride
2-(2-methyl-5-nitroimidazol-1-yl)ethyl methanesulfonate
4-chloro-3-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
(r)-3-amino-4-(2-chlorophenyl)butanoic acid hydrochloride
(s)-3-amino-4-(3-chlorophenyl)butanoic acid hydrochloride
2-methyl-4-(4-methoxy)phenyl thiazole-5-carboxylic acid
methyl 4-chloro-6,8-dimethyl-quinoline-2-carboxylate
3-AMINO-4-(N-PROPYLSULFONYL)THIOPHENE-2-CARBOXYLIC ACID
4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-5-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
(2S)-2-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]PYRROLIDINE
(S)-3-(4-Fluoro-benzenesulfinyl)-pyrrolidine hydrochloride
3-AMINO-3-(3,5-DICHLORO-2-HYDROXY-PHENYL)-PROPIONIC ACID
1,3-DIHYDRO-α-HYDROXY-1,3-DIOXO-2H-ISOINDOLE-2-BUTANOIC ACID
1-(3-Bromophenyl)-1-methylethylamine hydrochloride
1H-Imidazole-4-carboxylicacid,5-[[(4-fluorophenyl)amino]carbonyl]-(9CI)
(2E)-2-(6-nitro-4-oxochromen-3-ylidene)acetic acid
4-(4-chlorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
5-(2,4-DIMETHYOXYPHENYL)-1,3-OXAZOLE-4-CARBOXYLIC ACID
2-(4-Methoxybenzyl)-1,3-thiazole-4-carboxylic acid
Methyl 3-(aminomethyl)-4-(trifluoromethoxy)benzoate
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethylsulfamide
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C471 - Enzyme Inhibitor > C29577 - Carbonic Anhydrase Inhibitor
N-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamide
(E)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-yl)acrylamide
3-(Dimethylamino)-5-(trifluoromethyl)pyridine-2-carbothioamide
Erdosteine
R - Respiratory system > R05 - Cough and cold preparations > R05C - Expectorants, excl. combinations with cough suppressants > R05CB - Mucolytics C78273 - Agent Affecting Respiratory System > C74536 - Mucolytic Agent D019141 - Respiratory System Agents > D005100 - Expectorants
L-gamma-glutamyl-L-cysteinate(1-)
Conjugate base of L-gamma-glutamyl-L-cysteine arising from deprotonation of both carboxy groups and protonation of the primary amino group; major species at pH 7.3. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2-Hydroxy-6-(2-hydroxyphenoxy)-6-oxo-cis,cis-hexa-2,4-dienoate
(2Z,2E)-2-hydroxy-6-oxo-6-(2,3-dihydroxyphenyl)-hexa-2,4-dienoate
(5S)-2-methylsulfanylspiro[4H-1,3-thiazole-5,3-indole]-2-olate
[(E)-2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enoyl]azanium
[(Z)-2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enoyl]azanium
(5Z)-5-(4-ethylbenzylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one
2-[(2S)-2-Amino-3-carboxypropanoyl]oxybutanedioic acid
N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]carbamic acid methyl ester
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]pyridin-2-amine
methyl N-[[(Z)-indol-3-ylidenemethyl]amino]carbamodithioate
N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide
N-Acetyl-S-(2-carbamoyl-2-hydroxyethyl)-L-cysteine
2-(6-Hydroxy-1,3-benzothiazol-2-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5-ide
2-[(4-Methoxy-1-benzouran-5-carbonyl)amino]acetic acid
Pyridoxine 5'-phosphate
Pyridoxine 5'-phosphate is a vitamin B6 phosphate. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is functionally related to a pyridoxine. It is a conjugate acid of a pyridoxine 5'-phosphate(2-). Pyridoxine 5'-phosphate is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
6,7-dimethoxy-n-methyl-3,4-dioxo-1(2h)-iso-quinolinone
{"Ingredient_id": "HBIN012082","Ingredient_name": "6,7-dimethoxy-n-methyl-3,4-dioxo-1(2h)-iso-quinolinone","Alias": "NA","Ingredient_formula": "C12H11NO5","Ingredient_Smile": "CN1C(=O)C2=CC(=C(C=C2C(=O)C1=O)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6259","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
