Dataset

1-Naphthoic acid methyl ester; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+

This MassBank record with Accession MSBNK-CASMI_2016-SM803101 contains the MS2 mass spectrum of 1-Naphthoic acid methyl ester with the InChIkey HMRROBKAACRWBP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H10O2/c1-14-12(13)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
SMILES COC(=O)C1=CC=CC2=CC=CC=C12
InChI Key HMRROBKAACRWBP-UHFFFAOYSA-N
Molecular Formula C12H10O2
Exact Mass 186.068 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-CASMI_2016-SM803101
Version
Author
Maintainer
Language
MetadataPublished 2016-12-12
Related Molecule
  • methyl naphthalene-1-carboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    29580762 surechembl
    522791 surechembl
    120056 pubchem
    DTXSID901030976 comptox
    Molport-002-495-163 molport
    The data in this table is sourced from UniChem at EBI.