Dataset

1H-Isoindole-1,3(2H)-dione; ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UA002001 contains the MS2 mass spectrum of 1H-Isoindole-1,3(2H)-dione with the InChIkey XKJCHHZQLQNZHY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H,(H,9,10,11)
SMILES c1ccc2c(c1)C(=O)NC2=O
InChI Key XKJCHHZQLQNZHY-UHFFFAOYSA-N
Molecular Formula C8H5NO2
Exact Mass 147.032 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UA002001
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Maintainer
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MetadataPublished 2014-06-24
Related Molecule
  • isoindole-1,3-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:38817 chebi
    CHEMBL277294 chembl
    1388700 surechembl
    29366030 surechembl
    64 surechembl
    6809 pubchem
    1J6PQ7YI80 fdasrs
    PD218690 probes_and_drugs
    PHALIM CCDC
    103756 brenda
    268725 brenda
    6052 brenda
    HMDB0256502 hmdb
    50654840 bindingdb
    50654850 bindingdb
    51323220 bindingdb
    Molport-000-006-133 molport
    The data in this table is sourced from UniChem at EBI.