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
Version
Author
Maintainer
Language
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
    CHEMBL1098 ChEMBL
    2397 Guide to Pharmacology
    C07529 KEGG Ligand
    BUPIVACAINE rxnorm
    MARCAINE rxnorm
    EXPAREL rxnorm
    SENSORCAINE rxnorm
    BUPIVACAINE LIPOSOME rxnorm
    BUPIVACAINE HYDROCHLORIDE rxnorm
    SENSORCAINE clinicaltrials
    BUCAINE clinicaltrials
    BUPIVACAINE clinicaltrials
    BUPIVACAINE HYDROCHLORIDE clinicaltrials
    EXPAREL clinicaltrials
    LIQ865 clinicaltrials
    LIQ-865 clinicaltrials
    SKY-0402 clinicaltrials
    SKY0402 clinicaltrials
    CARBOSTESIN clinicaltrials
    MARCAINE clinicaltrials
    Y8335394RO FDA SRS
    DTXSID2022703 EPA CompTox Dashboard
    432 DrugCentral
    J7.351B Nikkaji
    50350790 BindingDB
    BUPIVACAINE DailyMed
    CB8897837 ChemicalBook
    SCHEMBL25438 SureChEMBL
    77431 ChEBI
    2474 PubChem
    MCULE-2286784276 Mcule
    bupivacaine DailyMed
    CB4413068 ChemicalBook
    HMDB0014442 Human Metabolome Database
    22295 Brenda
    62249 Brenda
    2180-92-9 ACToR
    38396-39-3 ACToR
    15233-43-9 ACToR
    LSM-4301 LINCS
    14897927 PubChem: Thomson Pharma
    PA135057240 PharmGKB
    XARACOLL clinicaltrials
    POSIMIR clinicaltrials
    PD010116 ProbesDrugs
    901488 eMolecules
    The data in this table is sourced from UniChem at EBI.