Dataset

high-resolution electrospray ionisation mass spectrometry (HRESIMS)

dataset for high-resolution electrospray ionisation mass spectrometry (HRESIMS)

Chemical Information

molecular Image
InChI InChI=1S/C18H18O6/c1-22-10-4-5-13-15-11-12(17(20)23-2)7-8-14(15)18(21)24-16(13)6-3-9-19/h7-8,11,19H,3,6,9-10H2,1-2H3
SMILES OCCCc1oc(=O)c2c(c1C#CCOC)cc(cc2)C(=O)OC
InChI Key PPLQCTWVGRNGFQ-UHFFFAOYSA-N
Molecular Formula C18H18O6
Exact Mass 330.332 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PPLQCTWVGRNGFQ-UHFFFAOYSA-N/CHMO0000485
License URL
Source https://www.chemotion-repository.net/inchikey/PPLQCTWVGRNGFQ-UHFFFAOYSA-N/CHMO0000485
Version
Author Irina Balova
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-02-16
Related Molecule
  • methyl 3-(3-hydroxypropyl)-4-(3-methoxyprop-1-ynyl)-1-oxoisochromene-6-carboxylate
    • Field Value
    Measurement Technique high-resolution electrospray ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    166625038 PubChem
    The data in this table is sourced from UniChem at EBI.