Dataset

high-resolution electrospray ionisation mass spectrometry (HRESIMS)

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

Chemical Information

molecular Image
InChI InChI=1S/C17H15NO4/c1-21-9-3-4-13-15-10-12(11-18)6-7-14(15)17(20)22-16(13)5-2-8-19/h6-7,10,19H,2,5,8-9H2,1H3
SMILES COCC#Cc1c(CCCO)oc(=O)c2c1cc(C#N)cc2
InChI Key VPUJZQDJDXGCRO-UHFFFAOYSA-N
Molecular Formula C17H15NO4
Exact Mass 297.305 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VPUJZQDJDXGCRO-UHFFFAOYSA-N/CHMO0000485
License URL
Source https://www.chemotion-repository.net/inchikey/VPUJZQDJDXGCRO-UHFFFAOYSA-N/CHMO0000485
Version
Author Irina Balova
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-06-02
Related Molecule
  • 3-(3-hydroxypropyl)-4-(3-methoxyprop-1-ynyl)-1-oxoisochromene-6-carbonitrile
    • Field Value
    Measurement Technique high-resolution electrospray ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168301075 PubChem
    The data in this table is sourced from UniChem at EBI.