Dataset

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

This MassBank record with Accession MSBNK-Athens_Univ-AU272601 contains the MS2 mass spectrum of Benzocaine with the InChIkey BLFLLBZGZJTVJG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3
SMILES CCOC(=O)C1=CC=C(N)C=C1
InChI Key BLFLLBZGZJTVJG-UHFFFAOYSA-N
Molecular Formula C9H11NO2
Exact Mass 165.079 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-AU272601
Version
Author
Maintainer
Language
MetadataPublished 2019-05-30
Related Molecule
  • ethyl 4-aminobenzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01086 drugbank
    CHEMBL278172 chembl
    25100 surechembl
    2337 pubchem
    U3RSY48JW5 fdasrs
    PD002459 probes_and_drugs
    QQQAXG CCDC
    164015 brenda
    233974 brenda
    37093 brenda
    HMDB0004992 hmdb
    Molport-000-871-526 molport
    323 drugcentral
    197282 bindingdb
    The data in this table is sourced from UniChem at EBI.