Dataset

Desmethylcitalopram

This MassBank record with Accession MSBNK-Waters-WA000978 contains the MS mass spectrum of Desmethylcitalopram with the InChIkey PTJADDMMFYXMMG-IBGZPJMESA-N.

Chemical Info

molecular Image
InChI InChI=1S/C19H19FN2O/c1-22-10-2-9-19(16-4-6-17(20)7-5-16)18-8-3-14(12-21)11-15(18)13-23-19/h3-8,11,22H,2,9-10,13H2,1H3/t19-/m0/s1
SMILES CNCCCC(O1)(c(c3)ccc(F)c3)c(c2)c(cc(C#N)c2)C1
InChI Key PTJADDMMFYXMMG-IBGZPJMESA-N
Molecular Formula C19H19FN2O
Exact Mass 310.148 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-WA000978
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:48:10.956640
MetadataModified 2024-01-11T22:48:11.122475
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
11255350 PubChem
30154438 eMolecules
16340681 PubChem: Thomson Pharma
SCHEMBL2859441 SureChEMBL
68457TFE9P FDA SRS
CB8773223 ChemicalBook
ZINC000005996320 ZINC
J2.448.864K Nikkaji
The data in this table is sourced from UniChem at EBI.