Dataset

Isatin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

This MassBank record with Accession MSBNK-Keio_Univ-KO003201 contains the MS2 mass spectrum of Isatin with the InChIkey JXDYKVIHCLTXOP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)
SMILES C1=CC=C2C(=C1)C(=O)C(=O)N2
InChI Key JXDYKVIHCLTXOP-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-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Keio_Univ-KO003201
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 1H-indole-2,3-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB02095 drugbank
    CHEBI:27539 chebi
    ISN rcsb_pdb
    CHEMBL326294 chembl
    28614049 surechembl
    31087266 surechembl
    34016 surechembl
    7073534 surechembl
    7054 pubchem
    82X95S7M06 fdasrs
    PD008558 probes_and_drugs
    ISATIN CCDC
    135332 brenda
    163986 brenda
    227241 brenda
    227512 brenda
    805 brenda
    HMDB0061933 hmdb
    Molport-000-871-222 molport
    11022 bindingdb
    The data in this table is sourced from UniChem at EBI.