Dataset

METHYL 2,5-DICHLORO-3-AMINOBENZOATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP009903 contains the MS mass spectrum of METHYL 2,5-DICHLORO-3-AMINOBENZOATE with the InChIkey DTSSCQVCVYZGSI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H7Cl2NO2/c1-13-8(12)5-2-4(9)3-6(11)7(5)10/h2-3H,11H2,1H3
SMILES COC(=O)c(c1)c(Cl)c(N)cc(Cl)1
InChI Key DTSSCQVCVYZGSI-UHFFFAOYSA-N
Molecular Formula C8H7Cl2NO2
Exact Mass 218.985 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-Fac_Eng_Univ_Tokyo-JP009903
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • methyl 3-amino-2,5-dichlorobenzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J81.360E Nikkaji
    ZINC000001732074 ZINC
    DTXSID1041762 EPA CompTox Dashboard
    SCHEMBL176841 SureChEMBL
    7286-84-2 ACToR
    PR0142CJCU FDA SRS
    23714 PubChem
    The data in this table is sourced from UniChem at EBI.