Dataset

O-Desarylranolazine

This MassBank record with Accession MSBNK-Eawag-EQ01153454 contains the MS2 mass spectrum of O-Desarylranolazine with the InChIkey LDEJNELBMSFPDJ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H27N3O3/c1-13-4-3-5-14(2)17(13)18-16(23)11-20-8-6-19(7-9-20)10-15(22)12-21/h3-5,15,21-22H,6-12H2,1-2H3,(H,18,23)
SMILES CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(CO)O
InChI Key LDEJNELBMSFPDJ-UHFFFAOYSA-N
Molecular Formula C17H27N3O3
Exact Mass 321.205 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-EQ01153454
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:53:40.506307
MetadataModified 2025-02-09T09:53:40.705022
MetadataPublished 2024-05-08
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
27519020 eMolecules
46781239 PubChem
99433762 PubChem: Thomson Pharma
DTXSID70675825 EPA CompTox Dashboard
04210SF62M FDA SRS
J2.767.323F Nikkaji
The data in this table is sourced from UniChem at EBI.