RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0200488
RefMet name	Phenyl salicylate
Systematic name	phenyl 2-hydroxybenzoate
Synonyms	PubChem Synonyms
Exact mass	214.062994 (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	C13H10O3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	45212 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	ZQBAKBUEJOMQEX-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	c1ccc(cc1)OC(=O)c1ccccc1O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Polyketides
Main Class	Aromatic polyketides
Sub Class	Depsides and depsidones
Distribution of Phenyl salicylate 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 Phenyl salicylate
External Links
Pubchem CID	8361
ChEBI ID	34918
KEGG ID	C14163
HMDB ID	HMDB0032018
Chemspider ID	8058
EPA CompTox	DTXCID201957
Spectral data for Phenyl salicylate standards
MassBank(EU)	View MS spectra