RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0200340
RefMet name	Methyl nicotinate
Systematic name	methyl pyridine-3-carboxylate
Synonyms	PubChem Synonyms
Exact mass	137.047679 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C7H7NO2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	44063 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	YNBADRVTZLEFNH-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	COC(=O)c1cccnc1 Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organoheterocyclic compounds
Main Class	Pyridines
Sub Class	Pyridine carboxylic acids
Distribution of Methyl nicotinate in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Methyl nicotinate
External Links
Pubchem CID	7151
ChEBI ID	134761
HMDB ID	HMDB0029806
Chemspider ID	21111785
EPA CompTox	DTXCID5024471
Spectral data for Methyl nicotinate standards
MassBank(EU)	View MS spectra