Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C5H5NO/c7-6-4-2-1-3-5-6/h1-5H
SMILES [O-][n+]1ccccc1
InChI Key ILVXOBCQQYKLDS-UHFFFAOYSA-N
Molecular Formula C5H5NO
Exact Mass 95.099 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ILVXOBCQQYKLDS-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/ILVXOBCQQYKLDS-UHFFFAOYSA-N/Mass
Version
Author Hannes Kühner
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-04-25
Related Molecule
  • 1-oxidopyridin-1-ium
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:29136 chebi
    9PO rcsb_pdb
    CHEMBL3278446 chembl
    1316 surechembl
    12753 pubchem
    91F12JJJ4H fdasrs
    PYRDNO CCDC
    165854 brenda
    1688 brenda
    9PO - Ideal conformer pdbe
    HMDB0256967 hmdb
    Molport-001-779-833 molport
    Molport-053-145-753 molport
    The data in this table is sourced from UniChem at EBI.