Dataset

Carisoprodol; LC-ESI-Q; MS; POS; 60 V, 90 V

This MassBank record with Accession MSBNK-Waters-WA001587 contains the MS mass spectrum of Carisoprodol with the InChIkey OFZCIYFFPZCNJE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H24N2O4/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16)
SMILES CCCC(C)(COC(N)=O)COC(=O)NC(C)C
InChI Key OFZCIYFFPZCNJE-UHFFFAOYSA-N
Molecular Formula C12H24N2O4
Exact Mass 260.174 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-WA001587
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • [2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00395 drugbank
    CHEBI:3419 chebi
    CHEMBL1233 chembl
    33286 surechembl
    2576 pubchem
    21925K482H fdasrs
    7610 gtopdb
    PD002442 probes_and_drugs
    HMDB0014539 hmdb
    509 drugcentral
    The data in this table is sourced from UniChem at EBI.