Dataset

3-ISOQUINOLYLMETHYL 2-METHYLBENZOATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP011469 contains the MS mass spectrum of 3-ISOQUINOLYLMETHYL 2-METHYLBENZOATE with the InChIkey AZZFAKNRCBCLEK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H15NO2/c1-13-6-2-4-8-15(13)18(20)21-12-17-16-9-5-3-7-14(16)10-11-19-17/h2-11H,12H2,1H3
SMILES Cc(c3)c(ccc3)C(=O)OCc(n1)c(c2)c(ccc2)cc1
InChI Key AZZFAKNRCBCLEK-UHFFFAOYSA-N
Molecular Formula C18H15NO2
Exact Mass 277.110 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-JP011469
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • isoquinolin-1-ylmethyl 2-methylbenzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    132993843 PubChem
    The data in this table is sourced from UniChem at EBI.