Dataset

Harmalol

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81356 contains the MS 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=C2C(=C3C=CC(=O)C=C3N2)CCN1
InChI Key CRQDWQWZCNKKAC-UHFFFAOYSA-N
Molecular Formula C12H12N2O
Exact Mass 200.095 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-BML81356
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:26:05.567300
MetadataModified 2024-01-11T22:26:05.715495
MetadataPublished 2016-01-19
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.