Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)

Chemical Information

molecular Image
InChI InChI=1S/C14H10O5/c15-8-11-12(17)6-10(16)7-13(11)19-14(18)9-4-2-1-3-5-9/h1-8,16-17H
SMILES O=Cc1c(cc(cc1O)O)OC(=O)c1ccccc1
InChI Key NQGFNZGQTUVDDL-UHFFFAOYSA-N
Molecular Formula C14H10O5
Exact Mass 258.226 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NQGFNZGQTUVDDL-UHFFFAOYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/NQGFNZGQTUVDDL-UHFFFAOYSA-N/Mass/EI
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • (2-formyl-3,5-dihydroxyphenyl) benzoate
    • Field Value
    Measurement Technique electron ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    122581 PubChem
    SCHEMBL5692519 SureChEMBL
    32292-78-7 ACToR
    DTXSID20186032 EPA CompTox Dashboard
    J319.358F Nikkaji
    The data in this table is sourced from UniChem at EBI.