Exact Mass: 95.0152

Exact Mass Matches: 95.0152

Found 71 metabolites which its exact mass value is equals to given mass value 95.0152, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

2-Hydroxypyridine

2-Hydroxypyridine sodium salt

C5H5NO (95.0371)


This colourless crystalline solid is used in peptide synthesis. It is well known to form hydrogen bonded structures somewhat related to the base-pairing mechanism found in RNA and DNA. It is also a classic case of a molecule that exists as tautomers. Some publications only focus one of the two possible patterns, and neglect the influence of the other. For example, to calculation of the energy difference of the two tautomers in a non-polar solution will lead to a wrong result if a large quantity of the substance is on the side of the dimer in an equilibrium. The direct tautomerisation is not energetically favoured, but a dimerisation followed by a double proton transfer and dissociation of the dimer is a self catalytic path from one tautomer to the other. Protic solvents also mediate the proton transfer during the tautomerisation. Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID H021 α-Pyridone is an endogenous metabolite.

   

1H-Pyrrole-2-carboxaldehyde

1H-Pyrrole-2-carboxaldehyde,radical ion(1-) (9CI)

C5H5NO (95.0371)


Pyrrole-2-carboxaldehyde is a pyrrole carrying a formyl substituent at the 2-position. It is a member of pyrroles and a 1,3-thiazole-2-carbaldehyde. Pyrrole-2-carboxaldehyde is a natural product found in Polygala senega, Theobroma cacao, and other organisms with data available. 1H-Pyrrole-2-carboxaldehyde is found in coffee and coffee products. 1H-Pyrrole-2-carboxaldehyde is a constituent of numerous plant species including tea, coffee and various legumes Constituent of numerous plant subspecies including tea, coffee and various legumes. 1H-Pyrrole-2-carboxaldehyde is found in tea, coffee and coffee products, and pulses. Pyrrole-2-carboxaldehyde has vibrational and electronic characteristics used to establish the existence of dimeric form in solid phase and monomeric form in solution phase[1]. Pyrrole-2-carboxaldehyde has vibrational and electronic characteristics used to establish the existence of dimeric form in solid phase and monomeric form in solution phase[1].

   

2-Aminopyrimidine

1,2-dihydro-2-iminopyrimidine

C4H5N3 (95.0483)


   

Pyrimidin-5-amine

5-Aminopyrimidine

C4H5N3 (95.0483)


   

Phosphoramide

(diaminophosphoryl)amine

H6N3OP (95.0248)


   

Pyridine-N-oxide

Pyridine N-oxide perchlorate

C5H5NO (95.0371)


   

4-HYDROXYPYRIDINE

4-HYDROXYPYRIDINE

C5H5NO (95.0371)


   

Pyridin-3-ol

3-HYDROXYPYRIDINE

C5H5NO (95.0371)


D020011 - Protective Agents > D000975 - Antioxidants Acquisition and generation of the data is financially supported in part by CREST/JST. 3-Hydroxypyridine is isolated from Bamboo grass. 3-Hydroxypyridine derivatives are structural analogues of vitamin B6 and have a wide range of pharmacological properties, such as antioxidant properties[1][2]. 3-Hydroxypyridine is isolated from Bamboo grass. 3-Hydroxypyridine derivatives are structural analogues of vitamin B6 and have a wide range of pharmacological properties, such as antioxidant properties[1][2].

   

formyl 1h pyrrol

formyl 1h pyrrol

C5H5NO (95.0371)


   

Aminopyrazine

2-Aminopyrazine

C4H5N3 (95.0483)


   

2-pyridone

2-HYDROXYPYRIDINE

C5H5NO (95.0371)


α-Pyridone is an endogenous metabolite.

   

3-Pyridinol

3-HYDROXYPYRIDINE

C5H5NO (95.0371)


D020011 - Protective Agents > D000975 - Antioxidants CONFIDENCE standard compound; INTERNAL_ID 8045 3-Hydroxypyridine is isolated from Bamboo grass. 3-Hydroxypyridine derivatives are structural analogues of vitamin B6 and have a wide range of pharmacological properties, such as antioxidant properties[1][2]. 3-Hydroxypyridine is isolated from Bamboo grass. 3-Hydroxypyridine derivatives are structural analogues of vitamin B6 and have a wide range of pharmacological properties, such as antioxidant properties[1][2].

   

3-HYDROXYPYRIDINE

3-HYDROXYPYRIDINE

C5H5NO (95.0371)


MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; GRFNBEZIAWKNCO-UHFFFAOYSA-N_STSL_0238_3-Hydroxypyridine_0016fmol_190403_S2_LC02MS02_062; 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.

   

4-Hydroxypyridine; AIF; CE0; CorrDec

4-Hydroxypyridine; AIF; CE0; CorrDec

C5H5NO (95.0371)


   

4-Hydroxypyridine; AIF; CE10; CorrDec

4-Hydroxypyridine; AIF; CE10; CorrDec

C5H5NO (95.0371)


   

4-Hydroxypyridine; AIF; CE30; CorrDec

4-Hydroxypyridine; AIF; CE30; CorrDec

C5H5NO (95.0371)


   

4-Hydroxypyridine; AIF; CE0; MS2Dec

4-Hydroxypyridine; AIF; CE0; MS2Dec

C5H5NO (95.0371)


   

4-Hydroxypyridine; AIF; CE10; MS2Dec

4-Hydroxypyridine; AIF; CE10; MS2Dec

C5H5NO (95.0371)


   

4-Hydroxypyridine; AIF; CE30; MS2Dec

4-Hydroxypyridine; AIF; CE30; MS2Dec

C5H5NO (95.0371)


   

2-Hydroxypyridine; AIF; CE0; CorrDec

2-Hydroxypyridine; AIF; CE0; CorrDec

C5H5NO (95.0371)


   

2-Hydroxypyridine; AIF; CE10; CorrDec

2-Hydroxypyridine; AIF; CE10; CorrDec

C5H5NO (95.0371)


   

2-Hydroxypyridine; AIF; CE30; CorrDec

2-Hydroxypyridine; AIF; CE30; CorrDec

C5H5NO (95.0371)


   

2-Hydroxypyridine; AIF; CE0; MS2Dec

2-Hydroxypyridine; AIF; CE0; MS2Dec

C5H5NO (95.0371)


   

2-Hydroxypyridine; AIF; CE10; MS2Dec

2-Hydroxypyridine; AIF; CE10; MS2Dec

C5H5NO (95.0371)


   

2-Hydroxypyridine; AIF; CE30; MS2Dec

2-Hydroxypyridine; AIF; CE30; MS2Dec

C5H5NO (95.0371)


   

2-HYDROXYPYRIDINE

2-HYDROXYPYRIDINE

C5H5NO (95.0371)


   

pyridin-4-ol

4-HYDROXYPYRIDINE

C5H5NO (95.0371)


   

pyrazinamine

2-Aminopyrazine

C4H5N3 (95.0483)


   

2-Formylpyrrole

Pyrrole-2-carboxaldehyde (8CI)

C5H5NO (95.0371)


Pyrrole-2-carboxaldehyde has vibrational and electronic characteristics used to establish the existence of dimeric form in solid phase and monomeric form in solution phase[1]. Pyrrole-2-carboxaldehyde has vibrational and electronic characteristics used to establish the existence of dimeric form in solid phase and monomeric form in solution phase[1].

   

3-Oxocyclobutanecarbonitrile

3-Oxocyclobutanecarbonitrile

C5H5NO (95.0371)


   

Trimethylamine hydrochloride

Trimethylammonium monohydrochloride

C3H10ClN (95.0502)


Trimethylammonium chloride is an endogenous metabolite. Trimethylammonium chloride is an endogenous metabolite.

   

propan-1-amine,hydrochloride

propan-1-amine,hydrochloride

C3H10ClN (95.0502)


   

guanidine,hydrochloride

guanidine,hydrochloride

CH6ClN3 (95.025)


   

2,2-Difluoroacetamide

2,2-Difluoroacetamide

C2H3F2NO (95.0183)


   

Methanesulfonamide

Methanesulfonamide

CH5NO2S (95.0041)


   

Natriumdiformylazanid

Natriumdiformylazanid

C2H2NNaO2 (94.9983)


   

3-methyl-1,2,4-triazine

3-methyl-1,2,4-triazine

C4H5N3 (95.0483)


   

Trifluoroacetonitrile

Trifluoroacetonitrile

C2F3N (94.9983)


   

Pyrrole-3-carboxaldehyde

Pyrrole-3-carboxaldehyde

C5H5NO (95.0371)


   

4-Pyridazinamine

4-Pyridazinamine

C4H5N3 (95.0483)


   

3-Oxetanylideneacetonitrile

3-Oxetanylideneacetonitrile

C5H5NO (95.0371)


   

Propan-1-aminium chloride

Propan-1-aminium chloride

C3H10ClN (95.0502)


   

2406 i.s.

Iminodiacetonitrile

C4H5N3 (95.0483)


   

1-Vinyl-1,2,4-triazole

1-Vinyl-1,2,4-triazole

C4H5N3 (95.0483)


   

pyridine oxide

Pyridine-N-oxide

C5H5NO (95.0371)


   

aminopyridazine

aminopyridazine

C4H5N3 (95.0483)


   

5-Cyanotetrazole

5-Cyanotetrazole

C2HN5 (95.0232)


   

Isopropylamine Hydrochloride

Isopropylamine Hydrochloride

C3H10ClN (95.0502)


   

4-Pyrimidinamine

4-Aminopyrimidine

C4H5N3 (95.0483)


   

Chloronitromethane

Chloronitromethane

CH2ClNO2 (94.9774)


   

N-Methylethanaminhydrochlorid

N-Methylethanaminhydrochlorid

C3H10ClN (95.0502)


   

Methanesulfonate

Methanesulfonate

CH3O3S- (94.9803)


A 1,1-diunsubstituted alkanesulfonate that is the conjugate base of methanesulfonic acid.

   

Phosphoramidate

Phosphoramidate

H2NO3P-2 (94.9772)


D004791 - Enzyme Inhibitors

   

Phosphoramide

Phosphoramide

H6N3OP (95.0248)


   

Difluoroacetate

Difluoroacetate

C2HF2O2- (94.9945)


   

Guanidine hydrochloride

Guanidine hydrochloride

CH6ClN3 (95.025)


Guanidine hydrochloride (Guanidinium chloride) a strong chaotrope, is also a strong denaturant of proteins[1][2].

   

AI3-35104

InChI=1\C5H5NO\c7-4-5-2-1-3-6-5\h1-4,6

C5H5NO (95.0371)


Pyrrole-2-carboxaldehyde has vibrational and electronic characteristics used to establish the existence of dimeric form in solid phase and monomeric form in solution phase[1]. Pyrrole-2-carboxaldehyde has vibrational and electronic characteristics used to establish the existence of dimeric form in solid phase and monomeric form in solution phase[1].

   

3-Pyridol

InChI=1\C5H5NO\c7-5-2-1-3-6-4-5\h1-4,7

C5H5NO (95.0371)


D020011 - Protective Agents > D000975 - Antioxidants 3-Hydroxypyridine is isolated from Bamboo grass. 3-Hydroxypyridine derivatives are structural analogues of vitamin B6 and have a wide range of pharmacological properties, such as antioxidant properties[1][2]. 3-Hydroxypyridine is isolated from Bamboo grass. 3-Hydroxypyridine derivatives are structural analogues of vitamin B6 and have a wide range of pharmacological properties, such as antioxidant properties[1][2].

   

Methylphosphonate(1-)

Methylphosphonate(1-)

CH4O3P- (94.9898)


   

4-Oxocyclohexa-2,5-dienylium

4-Oxocyclohexa-2,5-dienylium

C6H7O+ (95.0497)


   

m-Guanidinium chloride

m-Guanidinium chloride

CH6ClN3 (95.025)


   

Hydroperoxy(trihydroxy)boranuide

Hydroperoxy(trihydroxy)boranuide

BH4O5- (95.0152)


   

Trihydrogen orthosilicate

Trihydrogen orthosilicate

H3O4Si- (94.9801)


   

Piridin-4-one

Piridin-4-one

C5H5NO (95.0371)


   

2-Aminopyrimidine

2-Aminopyrimidine

C4H5N3 (95.0483)


   

5-Aminopyrimidine

5-Aminopyrimidine

C4H5N3 (95.0483)


   

Pyridine N-oxide

Pyridine N-oxide

C5H5NO (95.0371)


The pyridine N-oxide derived from the parent pyridine. It is a drug metabolite of the antihypertensive agent pinacidil.

   

Pyridin-2-ol

Pyridin-2-ol

C5H5NO (95.0371)


A monohydroxypyridine that is pyridine substituted by a hydroxy group at position 2.

   

4-Pyridone

4-Pyridone

C5H5NO (95.0371)


   

Hydroxypyridine

Hydroxypyridine

C5H5NO (95.0371)


   

Pyridone

Pyridone

C5H5NO (95.0371)