Dataset

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

This MassBank record with Accession MSBNK-Waters-WA001760 contains the MS mass spectrum of Vecuronium with the InChIkey BGSZAXLLHYERSY-XQIGCQGXSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C34H57N2O4/c1-23(37)39-31-20-25-12-13-26-27(34(25,4)22-29(31)35-16-8-6-9-17-35)14-15-33(3)28(26)21-30(32(33)40-24(2)38)36(5)18-10-7-11-19-36/h25-32H,6-22H2,1-5H3/q+1/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
SMILES C([N+1]1(C(C2)C(C(C3)(C)C([H])2C(C6)([H])C(C(C4(C6)[H])(CC(N(C5)CCCC5)C(C4)OC(C)=O)C)([H])C3)OC(C)=O)C)CCCC1
InChI Key BGSZAXLLHYERSY-XQIGCQGXSA-N
Molecular Formula [C34H57N2O4]+
Exact Mass 557.432 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-WA001760
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01339 drugbank
    CHEBI:9939 chebi
    CHEMBL1201219 chembl
    13575838 surechembl
    39765 pubchem
    5438723848 fdasrs
    PD009547 probes_and_drugs
    JODZUX CCDC
    HMDB0015432 hmdb
    DTXSID1044146 comptox
    NCT00473694 clinicaltrials
    NCT00552617 clinicaltrials
    NCT00970762 clinicaltrials
    NCT00970762 clinicaltrials
    NCT02123355 clinicaltrials
    NCT02134093 clinicaltrials
    NCT02327923 clinicaltrials
    NCT03219294 clinicaltrials
    NCT03346057 clinicaltrials
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    2811 drugcentral
    50424713 bindingdb
    The data in this table is sourced from UniChem at EBI.