Dataset

Ropivacaine

This MassBank record with Accession MSBNK-Eawag-EQ01097401 contains the MS2 mass spectrum of Ropivacaine with the InChIkey ZKMNUMMKYBVTFN-UHFFFAOYSA-N.

Chemical Info

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-EQ01097401
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:03:51.341903
MetadataModified 2025-02-09T10:03:51.535435
MetadataPublished 2024-06-14
Related Molecule
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.