Dataset

Norsertraline

This MassBank record with Accession MSBNK-Athens_Univ-AU156604 contains the MS2 mass spectrum of Norsertraline with the InChIkey SRPXSILJHWNFMK-ZBEGNZNMSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H15Cl2N/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-5,7,9,11,16H,6,8,19H2/t11-,16-/m0/s1
SMILES N[C@H]1CC[C@@H](C2=CC(Cl)=C(Cl)C=C2)C2=CC=CC=C12
InChI Key SRPXSILJHWNFMK-ZBEGNZNMSA-N
Molecular Formula C16H15Cl2N
Exact Mass 291.058 g/mol

Data and Resources

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-AU156604
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:42:22.660522
MetadataModified 2024-01-11T09:42:22.794887
MetadataPublished 2015-12-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL40733 ChEMBL
DB14071 DrugBank
168370 Brenda
ZINC000006117444 ZINC
DTXSID60236666 EPA CompTox Dashboard
50028066 BindingDB
50367182 BindingDB
J258.553G Nikkaji
CJJ71O9BE8 FDA SRS
114743 PubChem
PD085666 ProbesDrugs
SCHEMBL145234 SureChEMBL
87857-41-8 ACToR
93866-15-0 ACToR
14998135 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.