Dataset

Didesmethylcitalopram

This MassBank record with Accession MSBNK-Waters-WA000895 contains the MS mass spectrum of Didesmethylcitalopram with the InChIkey RKUKMUWCRLRPEJ-SFHVURJKSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H17FN2O/c19-16-5-3-15(4-6-16)18(8-1-9-20)17-7-2-13(11-21)10-14(17)12-22-18/h2-7,10H,1,8-9,12,20H2/t18-/m0/s1
SMILES NCCCC(O1)(c(c3)ccc(F)c3)c(c2)c(cc(C#N)c2)C1
InChI Key RKUKMUWCRLRPEJ-SFHVURJKSA-N
Molecular Formula C18H17FN2O
Exact Mass 296.132 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000895
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:48:29.190189
MetadataModified 2024-01-11T22:48:29.362440
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
87328458 PubChem: Thomson Pharma
JM43W5556T FDA SRS
SCHEMBL13966989 SureChEMBL
ZINC000006093314 ZINC
DTXSID30168066 EPA CompTox Dashboard
J2.823.393K Nikkaji
40582667 PubChem
The data in this table is sourced from UniChem at EBI.