Exact Mass: 171.06955320000003

Exact Mass Matches: 171.06955320000003

Found 117 metabolites which its exact mass value is equals to given mass value 171.06955320000003, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Metronidazole

1-(2-Hydroxy-1-ethyl)-2-methyl-5-nitroimidazole

C6H9N3O3 (171.0643884)


A nitroimidazole used to treat amebiasis; vaginitis; trichomonas infections; giardiasis; anaerobic bacteria; and treponemal infections. It has also been proposed as a radiation sensitizer for hypoxic cells. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985, p133), this substance may reasonably be anticipated to be a carcinogen (Merck, 11th ed). CONFIDENCE standard compound; INTERNAL_ID 515; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3637; ORIGINAL_PRECURSOR_SCAN_NO 3636 CONFIDENCE standard compound; INTERNAL_ID 515; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3617; ORIGINAL_PRECURSOR_SCAN_NO 3614 CONFIDENCE standard compound; INTERNAL_ID 515; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3589; ORIGINAL_PRECURSOR_SCAN_NO 3584 CONFIDENCE standard compound; INTERNAL_ID 515; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3614; ORIGINAL_PRECURSOR_SCAN_NO 3612 CONFIDENCE standard compound; INTERNAL_ID 515; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3612; ORIGINAL_PRECURSOR_SCAN_NO 3609 G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AF - Imidazole derivatives P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01A - Agents against amoebiasis and other protozoal diseases > P01AB - Nitroimidazole derivatives A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations > A01AB - Antiinfectives and antiseptics for local oral treatment J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01X - Other antibacterials > J01XD - Imidazole derivatives D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06B - Chemotherapeutics for topical use D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents CONFIDENCE standard compound; INTERNAL_ID 1069 C784 - Protein Synthesis Inhibitor Metronidazole is an orally active nitroimidazole antibiotic. Metronidazole can cross blood brain barrier. Metronidazole can be used for the research of anaerobic infections[1][2][3][4].

   

1-Naphthamide

naphthalene-1-carboxamide

C11H9NO (171.06841039999998)


   
   

6-Diazo-5-oxo-L-norleucine

2-amino-6-diazo-5-oxohexanoic acid

C6H9N3O3 (171.0643884)


6-Diazo-5-oxo-L-nor-Leucine (L-6-Diazo-5-oxonorleucine; DON) is a glutamine antagonist that irreversibly inhibits the catabolic effect of glutamine. 6-Diazo-5-oxo-L-nor-Leucine shows good anticancer activity (especially in pancreatic cancer) and reduces the self-renewal potential and metastatic capacity of tumour cells. 6-Diazo-5-oxo-L-nor-Leucine also possesses antibacterial and antiviral activity[1][2][3].

   

4-(2-Aminoethyl)-5-fluoro-1,2-benzenediol

4-(2-aminoethyl)-5-fluorobenzene-1,2-diol

C8H10FNO2 (171.06955320000003)


   

Azulenyl nitrone

N-[(azulen-1-yl)methylidene]hydroxylamine

C11H9NO (171.06841039999998)


   

Fluorodopamine

4-[2-(fluoroamino)ethyl]benzene-1,2-diol

C8H10FNO2 (171.06955320000003)


   

D-Histidine, beta-hydroxy-, erythro-

D-Histidine, beta-hydroxy-, erythro-

C6H9N3O3 (171.0643884)


   
   

metronidazole

metronidazole

C6H9N3O3 (171.0643884)


A member of the class of imidazoles substituted at C-1, -2 and -5 with 2-hydroxyethyl, nitro and methyl groups respectively. It has activity against anaerobic bacteria and protozoa, and has a radiosensitising effect on hypoxic tumour cells. It may be given by mouth in tablets, or as the benzoate in an oral suspension. The hydrochloride salt can be used in intravenous infusions. Metronidazole is a prodrug and is selective for anaerobic bacteria due to their ability to intracellularly reduce the nitro group of metronidazole to give nitroso-containing intermediates. These can covalently bind to DNA, disrupting its helical structure, inducing DNA strand breaks and inhibiting bacterial nucleic acid synthesis, ultimately resulting in bacterial cell death. G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AF - Imidazole derivatives P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01A - Agents against amoebiasis and other protozoal diseases > P01AB - Nitroimidazole derivatives A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations > A01AB - Antiinfectives and antiseptics for local oral treatment J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01X - Other antibacterials > J01XD - Imidazole derivatives D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06B - Chemotherapeutics for topical use D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C784 - Protein Synthesis Inhibitor KEIO_ID M033 CONFIDENCE standard compound; EAWAG_UCHEM_ID 197 Metronidazole is an orally active nitroimidazole antibiotic. Metronidazole can cross blood brain barrier. Metronidazole can be used for the research of anaerobic infections[1][2][3][4].

   

Diethylammonium phosphate

Diethylammonium phosphate

C4H14NO4P (171.0660414)


   

Metronidazole-13C2,15N2

Metronidazole-13C2,15N2

C6H9N3O3 (171.0643884)


   

(5Z)-1-ethyl-5-methoxyiminoimidazolidine-2,4-dione

(5Z)-1-ethyl-5-methoxyiminoimidazolidine-2,4-dione

C6H9N3O3 (171.0643884)


   

2,4(1H,3H)-Pyrimidinedione,5-[(2-hydroxyethyl)amino]-

2,4(1H,3H)-Pyrimidinedione,5-[(2-hydroxyethyl)amino]-

C6H9N3O3 (171.0643884)


   

(2-METHOXY-ETHYL)-THIOPHEN-3-YLMETHYL-AMINE

(2-METHOXY-ETHYL)-THIOPHEN-3-YLMETHYL-AMINE

C8H13NOS (171.0717808)


   

4-methylquinoline-2-carbaldehyde

4-methylquinoline-2-carbaldehyde

C11H9NO (171.06841039999998)


   

2-METHYLQUINOLINE-4-CARBOXALDEHYDE

2-METHYLQUINOLINE-4-CARBOXALDEHYDE

C11H9NO (171.06841039999998)


   

3-methylquinoline-2-carbaldehyde

3-methylquinoline-2-carbaldehyde

C11H9NO (171.06841039999998)


   
   

4-(1H-Pyrrol-1-yl)benzaldehyde

4-(1H-Pyrrol-1-yl)benzaldehyde

C11H9NO (171.06841039999998)


   

1-Naphthalenecarboxaldehyde,oxime

1-Naphthalenecarboxaldehyde,oxime

C11H9NO (171.06841039999998)


   

5-HYDRAZINO-1,3-DIMETHYL-4-NITRO-1H-PYRAZOLE

5-HYDRAZINO-1,3-DIMETHYL-4-NITRO-1H-PYRAZOLE

C5H9N5O2 (171.07562140000002)


   
   

(R)-3-(Methylamino)-1-(thiophen-2-yl)propan-1-ol

(R)-3-(Methylamino)-1-(thiophen-2-yl)propan-1-ol

C8H13NOS (171.0717808)


   

2-Methyl-6-quinolinecarbaldehyde

2-Methyl-6-quinolinecarbaldehyde

C11H9NO (171.06841039999998)


   
   
   
   
   

2,2-Difluorocyclohexanamine hydrochloride (1:1)

2,2-Difluorocyclohexanamine hydrochloride (1:1)

C6H12ClF2N (171.06262859999998)


   
   
   

1,3,5-Trihydroxyamino-benzene

1,3,5-Trihydroxyamino-benzene

C6H9N3O3 (171.0643884)


   

6-DIAZO-5-OXO-D-NORLEUCINE

6-DIAZO-5-OXO-D-NORLEUCINE

C6H9N3O3 (171.0643884)


   

(1,3-DIOXO-3,4-DIHYDROISOQUINOLIN-2(1H)-YL)ACETICACID

(1,3-DIOXO-3,4-DIHYDROISOQUINOLIN-2(1H)-YL)ACETICACID

C6H9N3O3 (171.0643884)


   

4,4-Difluorocyclohexanamine Hydrochloride

4,4-Difluorocyclohexanamine Hydrochloride

C6H12ClF2N (171.06262859999998)


   

(1ALPHA,2BETA,5ALPHA)-5-(ISOPROPYL)-2-METHYLCYCLOHEXAN-1-OL

(1ALPHA,2BETA,5ALPHA)-5-(ISOPROPYL)-2-METHYLCYCLOHEXAN-1-OL

C4H14NO4P (171.0660414)


   
   

1-Thia-4-azaspiro[4.5]decan-3-one

1-Thia-4-azaspiro[4.5]decan-3-one

C8H13NOS (171.0717808)


   
   

2,4,6-TRIMETHOXY-S-TRIAZINE

2,4,6-TRIMETHOXY-S-TRIAZINE

C6H9N3O3 (171.0643884)


   
   

5-Amino-1-(2-hydroxyethyl)-1H-pyrazole-4-carboxylic acid

5-Amino-1-(2-hydroxyethyl)-1H-pyrazole-4-carboxylic acid

C6H9N3O3 (171.0643884)


   

2-amino-4,6-dimethoxypyrimidin-5-ol

2-amino-4,6-dimethoxypyrimidin-5-ol

C6H9N3O3 (171.0643884)


   

7-methylquinoline-3-carbaldehyde

7-methylquinoline-3-carbaldehyde

C11H9NO (171.06841039999998)


   

4-Amino-N-(2-aminoethyl)-1,2,5-oxadiazole-3-carboxamide

4-Amino-N-(2-aminoethyl)-1,2,5-oxadiazole-3-carboxamide

C5H9N5O2 (171.07562140000002)


   

Phenyl(1H-pyrrol-3-yl)methanone

Phenyl(1H-pyrrol-3-yl)methanone

C11H9NO (171.06841039999998)


   
   

5-PHENYLPYRROLE-2-CARBOXALDEHYDE

5-PHENYLPYRROLE-2-CARBOXALDEHYDE

C11H9NO (171.06841039999998)


   

2,3-DIHYDRO-1H-PYRROLO[1,2-A]INDOL-1-ONE

2,3-DIHYDRO-1H-PYRROLO[1,2-A]INDOL-1-ONE

C11H9NO (171.06841039999998)


   
   
   
   

5,6,7,8-tetrahydro-5-oxonaphthalene-1-carbonitrile

5,6,7,8-tetrahydro-5-oxonaphthalene-1-carbonitrile

C11H9NO (171.06841039999998)


   
   

4H-Pyrrolo[3,2,1-ij]quinolin-6(5H)-one

4H-Pyrrolo[3,2,1-ij]quinolin-6(5H)-one

C11H9NO (171.06841039999998)


   

3-(METHYLAMINO)-1-(THIOPHEN-2-YL)PROPAN-1-OL

3-(METHYLAMINO)-1-(THIOPHEN-2-YL)PROPAN-1-OL

C8H13NOS (171.0717808)


   
   
   

7-Methyl-2-quinolinecarbaldehyde

7-Methyl-2-quinolinecarbaldehyde

C11H9NO (171.06841039999998)


   
   

chembrdg-bb 5256258

chembrdg-bb 5256258

C6H9N3O3 (171.0643884)


   

3-Methylamino-1-(2-thienyl)-1-propanol

3-Methylamino-1-(2-thienyl)-1-propanol

C8H13NOS (171.0717808)


   

3-(1H-Pyrrol-1-yl)benzaldehyde

3-(1H-Pyrrol-1-yl)benzaldehyde

C11H9NO (171.06841039999998)


   

2-Naphthamide

Naphthalene-2-carboxamide

C11H9NO (171.06841039999998)


   
   

1-oxido-3-phenylpyridin-1-ium

1-oxido-3-phenylpyridin-1-ium

C11H9NO (171.06841039999998)


   
   

6-OXO-5,6,7,8-TETRAHYDRO-NAPHTHALENE-2-CARBONITRILE

6-OXO-5,6,7,8-TETRAHYDRO-NAPHTHALENE-2-CARBONITRILE

C11H9NO (171.06841039999998)


   

3-ISOPROPOXY-4-NITRO-1H-PYRAZOLE

3-ISOPROPOXY-4-NITRO-1H-PYRAZOLE

C6H9N3O3 (171.0643884)


   
   

(2-METHOXY-ETHYL)-THIOPHEN-2-YLMETHYL-AMINE

(2-METHOXY-ETHYL)-THIOPHEN-2-YLMETHYL-AMINE

C8H13NOS (171.0717808)


   
   

Methylboronic acid MIDA ester

Methylboronic acid MIDA ester

C6H10BNO4 (171.070285)


   
   

1-PHENYL-1H-PYRROLE-2-CARBALDEHYDE

1-PHENYL-1H-PYRROLE-2-CARBALDEHYDE

C11H9NO (171.06841039999998)


   
   
   
   
   
   

(4-METHOXYPYRIDIN-3-YL)BORONIC ACID HYDRATE

(4-METHOXYPYRIDIN-3-YL)BORONIC ACID HYDRATE

C6H10BNO4 (171.070285)


   

2-(quinolin-3-yl)acetaldehyde

2-(quinolin-3-yl)acetaldehyde

C11H9NO (171.06841039999998)


   

2-(quinolin-4-yl)acetaldehyde

2-(quinolin-4-yl)acetaldehyde

C11H9NO (171.06841039999998)


   

2-(quinolin-5-yl)acetaldehyde

2-(quinolin-5-yl)acetaldehyde

C11H9NO (171.06841039999998)


   

2-(quinolin-6-yl)acetaldehyde

2-(quinolin-6-yl)acetaldehyde

C11H9NO (171.06841039999998)


   

2-(quinolin-7-yl)acetaldehyde

2-(quinolin-7-yl)acetaldehyde

C11H9NO (171.06841039999998)


   

2-(quinolin-8-yl)acetaldehyde

2-(quinolin-8-yl)acetaldehyde

C11H9NO (171.06841039999998)


   

3,4-dihydrocyclopenta[b]indol-2(1H)-one

3,4-dihydrocyclopenta[b]indol-2(1H)-one

C11H9NO (171.06841039999998)


   
   

L-DON

6-Diazo-5-oxo-L-norleucine

C6H9N3O3 (171.0643884)


A non-proteinogenic L-alpha-amino acid that is L-norleucine which is substituted at position 5 by an oxo group and at position 6 by a diazo group. It is as inhibitor of various glutamine-utilising enzymes. C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2133 - Cytidine Triphosphate Synthetase Inhibitor D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents 6-Diazo-5-oxo-L-nor-Leucine (L-6-Diazo-5-oxonorleucine; DON) is a glutamine antagonist that irreversibly inhibits the catabolic effect of glutamine. 6-Diazo-5-oxo-L-nor-Leucine shows good anticancer activity (especially in pancreatic cancer) and reduces the self-renewal potential and metastatic capacity of tumour cells. 6-Diazo-5-oxo-L-nor-Leucine also possesses antibacterial and antiviral activity[1][2][3].

   
   

4-(DIFLUOROMETHYL)PIPERIDINE HYDROCHLORIDE

4-(DIFLUOROMETHYL)PIPERIDINE HYDROCHLORIDE

C6H12ClF2N (171.06262859999998)


   

1-vinyl-3-MethyliMidazoliuM nitrate

1-vinyl-3-MethyliMidazoliuM nitrate

C6H9N3O3 (171.0643884)


   

4,5-DIHYDRO-NAPHTHO[1,2-C]ISOXAZOLE

4,5-DIHYDRO-NAPHTHO[1,2-C]ISOXAZOLE

C11H9NO (171.06841039999998)


   
   

1,2,4-TRIAZOLE-BUTYRICACID

1,2,4-TRIAZOLE-BUTYRICACID

C6H9N3O3 (171.0643884)


   

1H-Tetrazole-1-aceticacid, 5-amino-, ethyl ester

1H-Tetrazole-1-aceticacid, 5-amino-, ethyl ester

C5H9N5O2 (171.07562140000002)


   
   

1,2,3-Cyclohexanetrione Trioxime

1,2,3-Cyclohexanetrione Trioxime

C6H9N3O3 (171.0643884)


   

7-cyano-3,4-dihydro-2H-naphthalen-; 1-one

7-cyano-3,4-dihydro-2H-naphthalen-; 1-one

C11H9NO (171.06841039999998)


   

2-(1H-PYRROL-1-YL)BENZALDEHYDE

2-(1H-PYRROL-1-YL)BENZALDEHYDE

C11H9NO (171.06841039999998)


   

2-(2-METHYL-4-NITRO-IMIDAZOL-1-YL)-ETHANOL

2-(2-METHYL-4-NITRO-IMIDAZOL-1-YL)-ETHANOL

C6H9N3O3 (171.0643884)


   
   
   
   

3-methoxypyridine-4-boronic acid hydrate

3-methoxypyridine-4-boronic acid hydrate

C6H10BNO4 (171.070285)


   

(2-METHOXYPYRIDIN-3-YL)BORONIC ACID HYDRATE

(2-METHOXYPYRIDIN-3-YL)BORONIC ACID HYDRATE

C6H10BNO4 (171.070285)


   

5-(2-ETHOXYETHYL)-4-METHYLTHIAZOLE

5-(2-ETHOXYETHYL)-4-METHYLTHIAZOLE

C8H13NOS (171.0717808)


   

ethyl 5-(aminomethyl)-1,2,4-oxadiazole-3-carboxylate

ethyl 5-(aminomethyl)-1,2,4-oxadiazole-3-carboxylate

C6H9N3O3 (171.0643884)


   
   
   

6-Diazo-5-oxo-norleucine

6-Diazo-5-oxo-norleucine

C6H9N3O3 (171.0643884)


   

E-azulenecarboxaldehyde oxime

E-azulenecarboxaldehyde oxime

C11H9NO (171.06841039999998)


   

(2S)-2-Azaniumyl-6-diazo-5-oxohexanoate

(2S)-2-Azaniumyl-6-diazo-5-oxohexanoate

C6H9N3O3 (171.0643884)


   
   

4-(2-amino-1-hydroxyethyl)-2-fluorophenol

4-(2-amino-1-hydroxyethyl)-2-fluorophenol

C8H10FNO2 (171.06955320000003)