Dataset

8-Chlro-1-tetrahydronorharmanone

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01815 contains the MS2 mass spectrum of 8-Chlro-1-tetrahydronorharmanone with the InChIkey ILCLBYYAGZLAGC-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H9ClN2O/c12-8-3-1-2-6-7-4-5-13-11(15)10(7)14-9(6)8/h1-3,14H,4-5H2,(H,13,15)
SMILES C1CNC(=O)C2=C1C3=C(N2)C(=CC=C3)Cl
InChI Key ILCLBYYAGZLAGC-UHFFFAOYSA-N
Molecular Formula C11H9ClN2O
Exact Mass 220.040 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-Washington_State_Univ-BML01815
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:24:37.715410
MetadataModified 2024-01-11T22:24:37.884501
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
4174840 PubChem
SCHEMBL6353901 SureChEMBL
ZINC000000394561 ZINC
MCULE-3811095896 Mcule
1948109 eMolecules
The data in this table is sourced from UniChem at EBI.