Dataset

N-Desmethylclomipramine

This MassBank record with Accession MSBNK-Waters-WA000985 contains the MS mass spectrum of N-Desmethylclomipramine with the InChIkey VPIXQGUBUKFLRF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H21ClN2/c1-20-11-4-12-21-17-6-3-2-5-14(17)7-8-15-9-10-16(19)13-18(15)21/h2-3,5-6,9-10,13,20H,4,7-8,11-12H2,1H3
SMILES CNCCCN(c21)c(c3)c(ccc(Cl)3)CCc(cccc2)1
InChI Key VPIXQGUBUKFLRF-UHFFFAOYSA-N
Molecular Formula C18H21ClN2
Exact Mass 300.139 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-WA000985
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:49:04.313990
MetadataModified 2024-01-11T22:49:04.489718
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HMDB0060947 Human Metabolome Database
LSM-36428 LINCS
MolPort-047-116-106 MolPort
ZINC000002570877 ZINC
124969 ChEBI
J344.128H Nikkaji
SCHEMBL11384662 SureChEMBL
303-48-0 ACToR
PD060813 ProbesDrugs
15493288 PubChem: Thomson Pharma
01DN47PPQG FDA SRS
622606 PubChem
The data in this table is sourced from UniChem at EBI.