Metabolomics Structure Database

 
MW REGNO: 41966
Common Name:Phenylethylamine
Systematic Name:2-phenylethan-1-amine
Synonyms: [PubChem Synonyms]
Exact Mass:
121.0891 (neutral)    Calculate m/z:
Formula:C8H11N
InChIKey:BHHGXPLMPWCGHP-UHFFFAOYSA-N
ClassyFire superclass:Benzenoids [C0002448]
ClassyFire class:Benzene and substituted derivatives [C0002279]
ClassyFire subclass:Phenethylamines [C0000186]
ClassyFire direct parent:Phenethylamines [C0000186]
MoNA MS spectra:View spectra
Studies:Available studies

Select appropriate tab below to view additional details:

External database links:

PubChem CID:1001
CHEBI ID:18397
HMDB ID:HMDB0012275
KEGG ID:C05332
Chemspider ID:13856352
BMRB ID:bmse000377
MetaCyc ID:PHENYLETHYLAMINE

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

  logo