Exact Mass: 94.9983
Exact Mass Matches: 94.9983
Found 60 metabolites which its exact mass value is equals to given mass value 94.9983,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
2-Hydroxypyridine
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
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].
Pyridin-3-ol
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].
3-Pyridinol
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
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.
2-Formylpyrrole
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].
Methanesulfonate
A 1,1-diunsubstituted alkanesulfonate that is the conjugate base of methanesulfonic acid.
Guanidine hydrochloride
Guanidine hydrochloride (Guanidinium chloride) a strong chaotrope, is also a strong denaturant of proteins[1][2].
AI3-35104
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
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].
Pyridine N-oxide
The pyridine N-oxide derived from the parent pyridine. It is a drug metabolite of the antihypertensive agent pinacidil.
Pyridin-2-ol
A monohydroxypyridine that is pyridine substituted by a hydroxy group at position 2.
