Dataset

4-Aminobenzamide; LC-ESI-QTOF; MS2; CE: Ramp 15.7-23.6 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU276206 contains the MS2 mass spectrum of 4-Aminobenzamide with the InChIkey QIKYZXDTTPVVAC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H8N2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H2,9,10)
SMILES NC(=O)C1=CC=C(N)C=C1
InChI Key QIKYZXDTTPVVAC-UHFFFAOYSA-N
Molecular Formula C7H8N2O
Exact Mass 136.064 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-AU276206
Version
Author
Maintainer
Language
MetadataPublished 2019-05-31
Related Molecule
  • 4-aminobenzamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    AMBZAM CCDC
    HMDB0246352 Human Metabolome Database
    ZINC000000157169 ZINC
    DTXSID7038814 EPA CompTox Dashboard
    50106190 BindingDB
    J60.370H Nikkaji
    CHEMBL332444 ChEMBL
    MCULE-3871926059 Mcule
    20040732 NMRShiftDB
    77722I6PAC FDA SRS
    CB8276951 ChemicalBook
    137304 Brenda
    9048 Brenda
    76079 PubChem
    182421 ChEBI
    15016628 PubChem: Thomson Pharma
    SCHEMBL56532 SureChEMBL
    2835-68-9 ACToR
    494675 eMolecules
    The data in this table is sourced from UniChem at EBI.