Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C16H14O4/c1-9-7-11(15(17)18)3-5-13(9)14-6-4-12(16(19)20)8-10(14)2/h3-8H,1-2H3,(H,17,18)(H,19,20)
SMILES Cc1cc(ccc1c1ccc(cc1C)C(=O)O)C(=O)O
InChI Key VUYFKAXNJXFNFA-UHFFFAOYSA-N
Molecular Formula C16H14O4
Exact Mass 270.280 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VUYFKAXNJXFNFA-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/VUYFKAXNJXFNFA-UHFFFAOYSA-N/CHMO0000498
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-08-06
Related Molecule
  • 4-(4-carboxy-2-methylphenyl)-3-methylbenzoic acid
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.