Metabolomics Structure Database

 
MW REGNO: 45150
Common Name:2-Ethylpyrazine
Systematic Name:2-ethylpyrazine
Synonyms: [PubChem Synonyms]
Exact Mass:
108.0687 (neutral)    Calculate m/z:
Formula:C6H8N2
InChIKey:KVFIJIWMDBAGDP-UHFFFAOYSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Diazines [C0001346]
ClassyFire subclass:Pyrazines [C0000067]
ClassyFire direct parent:Pyrazines [C0000067]
Massbank MS spectra:View MS spectra
SMILES:CCc1cnccn1
Studies:-

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External database links:

PubChem CID:26331
CHEBI ID:73232
HMDB ID:HMDB0031849
Chemspider ID:24533
Plant Metabolite Hub(Pmhub):MS000016334

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

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