Dataset

PARA-METHYLHIPPURIC ACID; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP002238 contains the MS mass spectrum of PARA-METHYLHIPPURIC ACID with the InChIkey NRSCPTLHWVWLLH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H11NO3/c1-7-2-4-8(5-3-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)
SMILES OC(=O)CNC(=O)c(c1)ccc(C)c1
InChI Key NRSCPTLHWVWLLH-UHFFFAOYSA-N
Molecular Formula C10H11NO3
Exact Mass 193.074 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-JP002238
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 2-[(4-methylbenzoyl)amino]acetic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:68552 chebi
    CHEMBL274877 chembl
    1285723 surechembl
    97479 pubchem
    9QOX0DSK6F fdasrs
    YELRIT CCDC
    75694 brenda
    HMDB0013292 hmdb
    Molport-000-183-526 molport
    50016613 bindingdb
    The data in this table is sourced from UniChem at EBI.