Dataset

Bupivacaine; LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ330503 contains the MS2 mass spectrum of Bupivacaine with the InChIkey LEBVLXFERQHONN-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)
SMILES CCCCN1CCCCC1/C(=N/C2=C(C=CC=C2C)C)/O
InChI Key LEBVLXFERQHONN-UHFFFAOYSA-N
Molecular Formula C18H28N2O
Exact Mass 288.220 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-Eawag-EQ330503
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MetadataPublished 2015-08-25
Related Molecule
  • 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00297 drugbank
    CHEBI:77431 chebi
    CHEMBL1098 chembl
    25438 surechembl
    2474 pubchem
    2397 gtopdb
    7211 gtopdb
    PD010116 probes_and_drugs
    22295 brenda
    62249 brenda
    Y8335394RO fdasrs
    HMDB0014442 hmdb
    Molport-004-955-820 molport
    432 drugcentral
    50350790 bindingdb
    The data in this table is sourced from UniChem at EBI.