Dataset

Duloxetine

This MassBank record with Accession MSBNK-Athens_Univ-AU273505 contains the MS2 mass spectrum of Duloxetine with the InChIkey ZEUITGRIYCTCEM-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3
SMILES CNCCC(OC1=C2C=CC=CC2=CC=C1)C1=CC=CS1
InChI Key ZEUITGRIYCTCEM-UHFFFAOYSA-N
Molecular Formula C18H19NOS
Exact Mass 297.119 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU273505
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:50:18.269903
MetadataModified 2024-01-11T09:50:18.412777
MetadataPublished 2019-05-30
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL424660 ChEMBL
36796 ChEBI
50136680 BindingDB
MCULE-6609530201 Mcule
14873632 PubChem: Thomson Pharma
122252 PubChem
116539-58-3 ACToR
SCHEMBL3803 SureChEMBL
PD075196 ProbesDrugs
J2.038.377A Nikkaji
The data in this table is sourced from UniChem at EBI.