Dataset

Harmalol

This MassBank record with Accession MSBNK-RIKEN-PR300577 contains the MS2 mass spectrum of Harmalol with the InChIkey CRQDWQWZCNKKAC-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H12N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-3,6,13-14H,4-5H2,1H3
SMILES CC1=C2NC3=CC(=O)C=CC3=C2CCN1
InChI Key CRQDWQWZCNKKAC-UHFFFAOYSA-N
Molecular Formula C12H12N2O
Exact Mass 200.241 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR300577
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:50:32.039127
MetadataModified 2025-02-09T18:27:36.496181
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
70031351 NMRShiftDB
6028-00-8 ACToR
ZINC000100018523 ZINC
SCHEMBL15821030 SureChEMBL
The data in this table is sourced from UniChem at EBI.