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
    1688 Brenda
    MTBLC29136 Metabolights
    CB6293240 ChemicalBook
    165854 Brenda
    29136 Rhea
    SCHEMBL1316 SureChEMBL
    694-59-7 ACToR
    12753 PubChem
    110408-34-9 ACToR
    91F12JJJ4H FDA SRS
    15119673 PubChem: Thomson Pharma
    480599 eMolecules
    9PO PDBe
    29136 ChEBI
    CHEMBL3278446 ChEMBL
    DTXSID3061007 EPA CompTox Dashboard
    ZINC000000967324 ZINC
    J35.411B Nikkaji
    PYRDNO CCDC
    HMDB0256967 Human Metabolome Database
    The data in this table is sourced from UniChem at EBI.