Exact Mass: 171.00870460000002
Exact Mass Matches: 171.00870460000002
Found 500 metabolites which its exact mass value is equals to given mass value 171.00870460000002,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
P-Toluenesulfonamide
CONFIDENCE standard compound; INTERNAL_ID 926; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4179; ORIGINAL_PRECURSOR_SCAN_NO 4178 CONFIDENCE standard compound; INTERNAL_ID 926; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4160; ORIGINAL_PRECURSOR_SCAN_NO 4155 CONFIDENCE standard compound; INTERNAL_ID 926; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4177; ORIGINAL_PRECURSOR_SCAN_NO 4175 CONFIDENCE standard compound; INTERNAL_ID 926; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4145; ORIGINAL_PRECURSOR_SCAN_NO 4142 CONFIDENCE standard compound; INTERNAL_ID 926; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4171; ORIGINAL_PRECURSOR_SCAN_NO 4169 CONFIDENCE standard compound; INTERNAL_ID 926; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4164; ORIGINAL_PRECURSOR_SCAN_NO 4159 C274 - Antineoplastic Agent > C129839 - Apoptotic Pathway-targeting Antineoplastic Agent CONFIDENCE standard compound; EAWAG_UCHEM_ID 3618 CONFIDENCE standard compound; INTERNAL_ID 4185 CONFIDENCE standard compound; INTERNAL_ID 2869 CONFIDENCE standard compound; INTERNAL_ID 8805 COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2,6-Dichlorobenzonitrile
CONFIDENCE standard compound; EAWAG_UCHEM_ID 84 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Nitrogen mustard N-oxide
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D009676 - Noxae > D011042 - Poisons > D002619 - Chemical Warfare Agents D009676 - Noxae > D000477 - Alkylating Agents D009676 - Noxae > D007509 - Irritants
Ditiocarb sodium
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D064449 - Sequestering Agents > D002614 - Chelating Agents D007155 - Immunologic Factors
L-Homocysteine sulfonic acid
L-Homocysteine sulfonic acid is an oxydative metabolite of the amino acid homocystine that was found in the urine and blood of 2 mentally retarded children. (PMID: 5119311) [HMDB] L-Homocysteine sulfonic acid is an oxydative metabolite of the amino acid homocystine that was found in the urine and blood of 2 mentally retarded children. (PMID: 5119311).
2-(4-Methyl-5-thiazolyl)ethyl formate
2-(4-Methyl-5-thiazolyl)ethyl formate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
2-Chloro-1-(chloromethyl)ethyl carbamate
C4H7Cl2NO2 (170.98538220000003)
1-naphthoate
1-naphthoate, also known as 1-naphthoic acid, is a member of the class of compounds known as naphthalenecarboxylic acids. Naphthalenecarboxylic acids are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring. 1-naphthoate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 1-naphthoate can be found in a number of food items such as coconut, mountain yam, broad bean, and kombu, which makes 1-naphthoate a potential biomarker for the consumption of these food products.
O-TOLUENESULFONAMIDE
CONFIDENCE standard compound; INTERNAL_ID 899; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4231; ORIGINAL_PRECURSOR_SCAN_NO 4229 CONFIDENCE standard compound; INTERNAL_ID 899; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4232; ORIGINAL_PRECURSOR_SCAN_NO 4229 CONFIDENCE standard compound; INTERNAL_ID 899; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4251; ORIGINAL_PRECURSOR_SCAN_NO 4248 CONFIDENCE standard compound; INTERNAL_ID 899; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4236; ORIGINAL_PRECURSOR_SCAN_NO 4233 CONFIDENCE standard compound; INTERNAL_ID 899; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4321; ORIGINAL_PRECURSOR_SCAN_NO 4320 CONFIDENCE standard compound; INTERNAL_ID 899; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4233; ORIGINAL_PRECURSOR_SCAN_NO 4231 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3605
Aspartate
C4H5CaNO4 (170.98444800000001)
Calcium L-aspartate is an organic molecular entity. One of the non-essential amino acids commonly occurring in the L-form. It is found in animals and plants, especially in sugar cane and sugar beets. It may be a neurotransmitter. D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids Aspartic acid calcium (Calcium L-aspartate) is a chelate where calcium is attached to an amino acid naming L-Aspartic acid. L-Aspartic acid is an amino acid and serves as a building block for proteins in the body.
Adenine hydrochloride
Adenine hydrochloride (6-Aminopurine hydrochloride), a purine, is one of the four nucleobases in the nucleic acid of DNA. Adenine hydrochloride acts as a chemical component of DNA and RNA. Adenine hydrochloride also plays an important role in biochemistry involved in cellular respiration, the form of both ATP and the cofactors (NAD and FAD), and protein synthesis[1][2][3]. Adenine hydrochloride (6-Aminopurine hydrochloride), a purine, is one of the four nucleobases in the nucleic acid of DNA. Adenine hydrochloride acts as a chemical component of DNA and RNA. Adenine hydrochloride also plays an important role in biochemistry involved in cellular respiration, the form of both ATP and the cofactors (NAD and FAD), and protein synthesis[1][2][3]. Adenine hydrochloride (6-Aminopurine hydrochloride), a purine, is one of the four nucleobases in the nucleic acid of DNA. Adenine hydrochloride acts as a chemical component of DNA and RNA. Adenine hydrochloride also plays an important role in biochemistry involved in cellular respiration, the form of both ATP and the cofactors (NAD and FAD), and protein synthesis[1][2][3].
(3-Amino-4-chlorophenyl)boronic acid
C6H7BClNO2 (171.02583420000002)
4-(3-chloro-2-methylprop-1-enyl)-2-methyl-1,3-oxazole
1-Chloro-2-fluoro-3-isocyanatobenzene
C7H3ClFNO (170.98871899999997)
4-chloro-7-fluoro-3H-imidazo[4,5-c]pyridine
C6H3ClFN3 (170.99995199999998)
4-Pyridinecarbonyl chloride, 1,2-dihydro-1-methyl-2-oxo- (9CI)
C7H6ClNO2 (171.00870460000002)
Ethanone, 2-chloro-1-(2,5-dimethyl-1H-pyrrol-3-yl)- (9CI)
4-chloro-5-methylpyridine-2-carboxylic acid
C7H6ClNO2 (171.00870460000002)
3-Pyridinecarbonyl chloride, 2-methoxy- (9CI)
C7H6ClNO2 (171.00870460000002)
4-CYCLOPROPYLAMINOMETHYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
6-Chloro-4-methyl-3-pyridinecarboxylic acid
C7H6ClNO2 (171.00870460000002)
2-Chloro-6-methoxyisonicotinaldehyde
C7H6ClNO2 (171.00870460000002)
1H-1,2,4-Triazole-3-carboxylic acid, 1-acetyl-2,5-dihydro-5-oxo- (9CI)
4-(2-Chloroacetyl)-1H-pyrrole-2-carbaldehyde
C7H6ClNO2 (171.00870460000002)
3-Pyridinecarbonyl chloride, 6-methoxy- (9CI)
C7H6ClNO2 (171.00870460000002)
4-Pyridinecarbonyl chloride, 2-methoxy- (9CI)
C7H6ClNO2 (171.00870460000002)
5-Chloro-3-methylpyridine-2-carboxylic acid
C7H6ClNO2 (171.00870460000002)
6-Chloro-2-Methylpyridine-3-Boronic Acid
C6H7BClNO2 (171.02583420000002)
6-Chloro-4-methylpyridine-2-carboxylic acid
C7H6ClNO2 (171.00870460000002)
4-amino-2-methylsulfanyl-1,3-thiazole-5-carbonitrile
3-Isoxazolecarbonyl chloride, 5-cyclopropyl- (9CI)
C7H6ClNO2 (171.00870460000002)
2-Chloro-6-methylisonicotinic acid
C7H6ClNO2 (171.00870460000002)
2-CHLORO-3-METHYLISONICOTINIC ACID
C7H6ClNO2 (171.00870460000002)
3-Chloro-6-fluorobenzo[d]isoxazole
C7H3ClFNO (170.98871899999997)
3-CHLORO-5-FLUOROBENZO[D]ISOXAZOLE
C7H3ClFNO (170.98871899999997)
2-(3-Chloropyridin-2-yl)acetic acid
C7H6ClNO2 (171.00870460000002)
3-Chloro-2-methoxyisonicotinaldehyde
C7H6ClNO2 (171.00870460000002)
3-Aminotetrahydrothiophene 1,1-dioxide hydrochloride
4-Chloro-2-fluorophenyl isocyanate
C7H3ClFNO (170.98871899999997)
1-[5-(methylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
6-Chloro-8-fluoro-[1,2,4]triazolo[4,3-a]pyridine
C6H3ClFN3 (170.99995199999998)
2-AMINO-4-CHLOROPHENYL BORONIC ACID
C6H7BClNO2 (171.02583420000002)
4-chloro-2-methylpyridine-3-carboxylic acid
C7H6ClNO2 (171.00870460000002)
3-mercapto-2-(methylamino)propanoic acid hydrochloride
Methyl 5-chloropyridine-2-carboxylate
C7H6ClNO2 (171.00870460000002)
6-Chloro-5-methylpyridine-2-carboxylic acid
C7H6ClNO2 (171.00870460000002)
2-Chloro-1-fluoro-3-isocyanatobenzene
C7H3ClFNO (170.98871899999997)
5-Chloro-2-methylisonicotinic acid
C7H6ClNO2 (171.00870460000002)
6-Chloro-3-methyl-2-pyridinecarboxylic acid
C7H6ClNO2 (171.00870460000002)
FURO[2,3-C]PYRIDIN-3(2H)-ONE HYDROCHLORIDE
C7H6ClNO2 (171.00870460000002)
1-BENZYLAMINO-CYCLOHEXANECARBOXYLICACIDHYDROCHLORIDE
3-chloro-4-fluorophenyl isocyanate
C7H3ClFNO (170.98871899999997)
4-CHLORO-3-METHOXYPYRIDINE-2-CARBOXALDEHYDE
C7H6ClNO2 (171.00870460000002)
furo[3,2-c]pyridin-7-ol,hydrochloride
C7H6ClNO2 (171.00870460000002)
6-CHLORO-5-FLUORO-1H-BENZO[D][1,2,3]TRIAZOLE
C6H3ClFN3 (170.99995199999998)
2-(chloromethyl)-3,5-dimethyl-1-oxidopyridin-1-ium
2-hydroxy-6-Methylisonicotinoyl chloride
C7H6ClNO2 (171.00870460000002)
2-Chloro-5-methylpyridine-3-boronic acid
C6H7BClNO2 (171.02583420000002)
2-Chloro-4-methylpyridine-3-boronic acid
C6H7BClNO2 (171.02583420000002)
2-chloro-6-methylpyridine-3-boronic acid
C6H7BClNO2 (171.02583420000002)
2-Amino-5-chlorophenylboronic acid
C6H7BClNO2 (171.02583420000002)
2-(4-chloropyridin-2-yl)acetic acid
C7H6ClNO2 (171.00870460000002)
5-CHLORO-2-METHOXY-PYRIDINE-4-CARBALDEHYDE
C7H6ClNO2 (171.00870460000002)
3-chloro-5-methoxypyridine-4-carbaldehyde
C7H6ClNO2 (171.00870460000002)
Pyrimidine,2-(methylthio)-5-nitro-
C5H5N3O2S (171.01024700000002)
L-Cysteinesulfinic acid monohydrate
L-Cysteinesulfinic acid monohydrate is a potent agonist at several rat metabotropic glutamate receptors (mGluRs) with pEC50s of 3.92, 4.6, 3.9, 2.7, 4.0, and 3.94 for mGluR1, mGluR5, mGluR2, mGluR4, mGluR6, and mGluR8, respectively[1].
2-Chloro-4-methylpyridine-5-boronic acid
C6H7BClNO2 (171.02583420000002)
6-Chloro-4-methoxypyridine-3-carbaldehyde
C7H6ClNO2 (171.00870460000002)
3-Pyridinecarbonyl chloride, 1,6-dihydro-1-methyl-6-oxo- (9CI)
C7H6ClNO2 (171.00870460000002)
Mecysteine hydrochloride
D019141 - Respiratory System Agents > D005100 - Expectorants
4-chloro-5-fluoro-7H-pyrrolo[2,3-d]pyrimidine
C6H3ClFN3 (170.99995199999998)
N-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide
6-CHLORO-5-METHYLPYRIDINE-3-BORONIC ACID
C6H7BClNO2 (171.02583420000002)
5-CHLORO-2-METHYL-3-PYRIDINECARBOXYLIC ACID
C7H6ClNO2 (171.00870460000002)
2-Amino-1,3-propanediol-3-phosphate
C3H10NO5P (171.02965799999998)
4-Amino-2-mercaptopyrimidine-5-carboxylic acid
C5H5N3O2S (171.01024700000002)
5-Chlorosalicylate
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
4-Chlorosalicylate
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
(2E,4E)-2,4-dihydroxy-5-methyl-6-oxohexa-2,4-dienoate
(2Z,4E)-4-hydroxy-6-methoxy-6-oxohexa-2,4-dienoate
[(2S)-2-amino-3-hydroxypropyl] dihydrogen phosphate
C3H10NO5P (171.02965799999998)
Aspartate
C4H5NO4. Ca (170.98444800000001)
Calcium L-aspartate is an organic molecular entity. One of the non-essential amino acids commonly occurring in the L-form. It is found in animals and plants, especially in sugar cane and sugar beets. It may be a neurotransmitter. D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids Aspartic acid calcium (Calcium L-aspartate) is a chelate where calcium is attached to an amino acid naming L-Aspartic acid. L-Aspartic acid is an amino acid and serves as a building block for proteins in the body.
Sodium diethyldithiocarbamate
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D064449 - Sequestering Agents > D002614 - Chelating Agents D007155 - Immunologic Factors
Nitrogen mustard N-oxide
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D009676 - Noxae > D011042 - Poisons > D002619 - Chemical Warfare Agents D009676 - Noxae > D000477 - Alkylating Agents D009676 - Noxae > D007509 - Irritants
Dichlobenil
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
3-dehydroshikimate
A monocarboxylic acid anion that is the conjugate base of 3-dehydroshikimic acid, arising from deprotonation of the carboxy group.
trans-aconitate(3-)
An aconitate(3-) that is the conjugate base of trans-aconitic acid.
Hydantoin-5-propionate
A monocarboxylic acid anion that is the conjugate base of hydantoin-5-propionic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoate
A hydroxy monocarboxylic acid anion that is the conjugate base of 2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
4-Toluenesulfonamide
C274 - Antineoplastic Agent > C129839 - Apoptotic Pathway-targeting Antineoplastic Agent COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
cis,cis-2,4-Dihydroxy-5-methyl-6-oxo-2,4-hexadienoate
A hydroxy monocarboxylic acid anion that is the conjugate base of cis,cis-2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
trans,trans-2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoate
A hydroxy monocarboxylic acid anion that is the conjugate base of trans,trans-2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
cis-aconitate(3-)
An aconitate(3-) that is the conjugate base of cis-aconitic acid.
(2s)-2-amino-4,4-dichlorobutanoic acid
C4H7Cl2NO2 (170.98538220000003)