Dataset

Paroxetine

This MassBank record with Accession MSBNK-UFZ-UF407904 contains the MS2 mass spectrum of Paroxetine with the InChIkey AHOUBRCZNHFOSL-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2
SMILES FC1=CC=C(C=C1)C1CCNCC1COC1=CC2=C(OCO2)C=C1
InChI Key AHOUBRCZNHFOSL-UHFFFAOYSA-N
Molecular Formula C19H20FNO3
Exact Mass 329.143 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF407904
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:58:02.513770
MetadataModified 2025-02-09T19:47:57.458614
MetadataPublished 2017-01-05
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
94410 ChEBI
86422 BindingDB
J1.676.699B Nikkaji
CHEMBL169007 ChEMBL
SAM002548935 NIH Clinical Collection
MCULE-3717318507 Mcule
4691 PubChem
1988374 eMolecules
SCHEMBL114238 SureChEMBL
14875167 PubChem: Thomson Pharma
189380-72-1 ACToR
PD002925 ProbesDrugs
LSM-5101 LINCS
The data in this table is sourced from UniChem at EBI.