Dataset

N-Acetyl mesalazine; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU272501 contains the MS2 mass spectrum of N-Acetyl mesalazine with the InChIkey GEFDRROBUCULOD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H9NO4/c1-5(11)10-6-2-3-8(12)7(4-6)9(13)14/h2-4,12H,1H3,(H,10,11)(H,13,14)
SMILES CC(=O)NC1=CC=C(O)C(=C1)C(O)=O
InChI Key GEFDRROBUCULOD-UHFFFAOYSA-N
Molecular Formula C9H9NO4
Exact Mass 195.053 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-Athens_Univ-AU272501
Version
Author
Maintainer
Language
MetadataPublished 2019-05-30
Related Molecule
  • 5-acetamido-2-hydroxybenzoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:89810 chebi
    CHEMBL3410756 chembl
    170522 surechembl
    30076649 surechembl
    65512 pubchem
    9H126Z3PF5 fdasrs
    PD117462 probes_and_drugs
    VAXYOK CCDC
    36656 brenda
    50538 brenda
    58123 brenda
    58124 brenda
    HMDB0060602 hmdb
    Molport-001-933-335 molport
    The data in this table is sourced from UniChem at EBI.