Dataset

high-resolution electrospray ionisation mass spectrometry (HRESIMS)

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

Chemical Information

molecular Image
InChI InChI=1S/C17H14O5/c1-20-16(18)11-6-7-13-14(10-11)12-4-2-8-21-9-3-5-15(12)22-17(13)19/h6-7,10H,3,5,8-9H2,1H3
SMILES COC(=O)c1ccc2c(c1)c1C#CCOCCCc1oc2=O
InChI Key MTTHMHHBSGCPOH-UHFFFAOYSA-N
Molecular Formula C17H14O5
Exact Mass 298.290 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MTTHMHHBSGCPOH-UHFFFAOYSA-N/CHMO0000485
License URL
Source https://www.chemotion-repository.net/inchikey/MTTHMHHBSGCPOH-UHFFFAOYSA-N/CHMO0000485
Version
Author Natalia Danilkina
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-02-16
Related Molecule
  • methyl 8-oxo-9,14-dioxatricyclo[8.7.0.02,7]heptadeca-1(10),2(7),3,5-tetraen-16-yne-4-carboxylate
    • Field Value
    Measurement Technique high-resolution electrospray ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    166625044 PubChem
    The data in this table is sourced from UniChem at EBI.