Dataset

high-resolution electrospray ionisation mass spectrometry (HRESIMS)

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

Chemical Information

molecular Image
InChI InChI=1S/C16H11NO3/c17-10-11-5-6-13-14(9-11)12-3-1-7-19-8-2-4-15(12)20-16(13)18/h5-6,9H,2,4,7-8H2
SMILES N#Cc1ccc2c(c1)c1C#CCOCCCc1oc2=O
InChI Key FUHXXZUHXVYRQO-UHFFFAOYSA-N
Molecular Formula C16H11NO3
Exact Mass 265.263 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FUHXXZUHXVYRQO-UHFFFAOYSA-N/CHMO0000485
License URL
Source https://www.chemotion-repository.net/inchikey/FUHXXZUHXVYRQO-UHFFFAOYSA-N/CHMO0000485
Version
Author Irina Balova
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-06-02
Related Molecule
  • 8-oxo-9,14-dioxatricyclo[8.7.0.02,7]heptadeca-1(10),2(7),3,5-tetraen-16-yne-4-carbonitrile
    • Field Value
    Measurement Technique high-resolution electrospray ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168301077 PubChem
    The data in this table is sourced from UniChem at EBI.