Dataset

Bupivacaine; LC-ESI-Q; MS; POS; 30 V

This MassBank record with Accession MSBNK-Waters-WA000942 contains the MS 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 CCCCN(C2)C(CCC2)C(=O)Nc(c(C)1)c(C)ccc1
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-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000942
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Maintainer
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MetadataPublished 2016-01-19
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
    312236 bindingdb
    50607743 bindingdb
    50655187 bindingdb
    50655188 bindingdb
    50772008 bindingdb
    50774627 bindingdb
    50774655 bindingdb
    50777338 bindingdb
    51233428 bindingdb
    51233452 bindingdb
    51233463 bindingdb
    Molport-004-955-820 molport
    432 drugcentral
    The data in this table is sourced from UniChem at EBI.