Dataset

Citalopram

This MassBank record with Accession MSBNK-Athens_Univ-AU151301 contains the MS2 mass spectrum of Citalopram with the InChIkey WSEQXVZVJXJVFP-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3
SMILES	CN(C)CCCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1
InChI Key	WSEQXVZVJXJVFP-UHFFFAOYSA-N
Molecular Formula	C20H21FN2O
Exact Mass	324.164 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU151301
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T08:51:24.075931
MetadataModified	2025-02-08T19:01:30.467708
MetadataPublished	2015-12-07
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
2771	PubChem
PD000475	ProbesDrugs
LSM-1585	LINCS
14826333	PubChem: Thomson Pharma
SCHEMBL946	SureChEMBL
PA449015	PharmGKB
59729-33-8	ACToR
901656	eMolecules
77397	ChEBI
MCULE-5882770916	Mcule
20182136	NMRShiftDB
HMDB0005038	Human Metabolome Database
CB5244937	ChemicalBook
75639	Brenda
citalopram	DailyMed
DB00215	DrugBank
C07572	KEGG Ligand
CHEMBL549	ChEMBL
SAM002589960	NIH Clinical Collection
CITALOPRAM	DailyMed
CITALOPRAM	rxnorm
CELEXA	rxnorm
CITALOPRAM HYDROBROMIDE	rxnorm
CITALOPRAM HYDROBROMIDE	clinicaltrials
CITALOPRAM	clinicaltrials
25870	BindingDB
0DHU5B8D6V	FDA SRS
DTXSID8022826	EPA CompTox Dashboard
663	DrugCentral
4621	Guide to Pharmacology
7547	Guide to Pharmacology
J18.081E	Nikkaji
CELEXA	clinicaltrials
The data in this table is sourced from UniChem at EBI.