Dataset

Tolperison

This MassBank record with Accession MSBNK-Eawag-EQ01099702 contains the MS2 mass spectrum of Tolperison with the InChIkey FSKFPVLPFLJRQB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H23NO/c1-13-6-8-15(9-7-13)16(18)14(2)12-17-10-4-3-5-11-17/h6-9,14H,3-5,10-12H2,1-2H3
SMILES CC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2
InChI Key FSKFPVLPFLJRQB-UHFFFAOYSA-N
Molecular Formula C16H23NO
Exact Mass 245.178 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-EQ01099702
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:01:46.096927
MetadataModified 2025-02-09T10:01:46.304592
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1076211 ChEMBL
TOLPERISONE rxnorm
442744 BindingDB
93835 ChEBI
J6.952C Nikkaji
F5EOM0LD8E FDA SRS
2703 DrugCentral
TOLPERISONE clinicaltrials
DTXSID8023686 EPA CompTox Dashboard
CB0393580 ChemicalBook
DB06264 DrugBank
20198962 NMRShiftDB
MCULE-7696178333 Mcule
PA166152940 PharmGKB
14847585 PubChem: Thomson Pharma
728-88-1 ACToR
LSM-4381 LINCS
PD014588 ProbesDrugs
SCHEMBL148499 SureChEMBL
5511 PubChem
877280 eMolecules
The data in this table is sourced from UniChem at EBI.