Dataset

METHYL 5-ETHYNYLPYRIDINE-2-CARBOXYLATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP002060 contains the MS mass spectrum of METHYL 5-ETHYNYLPYRIDINE-2-CARBOXYLATE with the InChIkey PGYCVRHIHIYNBF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H7NO2/c1-3-7-4-5-8(10-6-7)9(11)12-2/h1,4-6H,2H3
SMILES C#Cc(c1)cnc(c1)C(=O)OC
InChI Key PGYCVRHIHIYNBF-UHFFFAOYSA-N
Molecular Formula C9H7NO2
Exact Mass 161.048 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP002060
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • methyl 5-ethynylpyridine-2-carboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    159424 surechembl
    568567 pubchem
    DTXSID50340923 comptox
    Molport-023-223-081 molport
    The data in this table is sourced from UniChem at EBI.