RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0162596
RefMet name	Phenylephrine
Systematic name	3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol
Synonyms	PubChem Synonyms
Exact mass	167.094629 (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	C9H13NO2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	38062 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1
InChIKey	SONNWYBIRXJNDC-VIFPVBQESA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CNC[C@@H](c1cccc(c1)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Benzenoids
Main Class	Phenols
Sub Class	Other phenols
Distribution of Phenylephrine in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Studies	NMDR Studies reporting Phenylephrine
External Links
Pubchem CID	6041
ChEBI ID	8093
KEGG ID	C07441
HMDB ID	HMDB0002182
Chemspider ID	5818
EPA CompTox	DTXCID20196671
Spectral data for Phenylephrine standards
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)