Dataset

Ropivacaine; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01097408 contains the MS2 mass spectrum of Ropivacaine with the InChIkey ZKMNUMMKYBVTFN-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H26N2O/c1-4-11-19-12-6-5-10-15(19)17(20)18-16-13(2)8-7-9-14(16)3/h7-9,15H,4-6,10-12H2,1-3H3,(H,18,20)
SMILES CCCN1CCCCC1C(=O)NC2=C(C=CC=C2C)C
InChI Key ZKMNUMMKYBVTFN-UHFFFAOYSA-N
Molecular Formula C17H26N2O
Exact Mass 274.205 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01097408
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MetadataPublished 2024-06-14
Related Molecule
  • N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    60802 ChEBI
    J824.305K Nikkaji
    HMDB0243661 Human Metabolome Database
    71273 PubChem
    SCHEMBL3219378 SureChEMBL
    14897353 PubChem: Thomson Pharma
    PD055275 ProbesDrugs
    PA451271 PharmGKB
    The data in this table is sourced from UniChem at EBI.