Dataset

Harmol

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81371 contains the MS mass spectrum of Harmol with the InChIkey LBBJNGFCXDOYMQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H10N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-6,13-14H,1H3
SMILES CC1=C2C(=C3C=CC(=O)C=C3N2)C=CN1
InChI Key LBBJNGFCXDOYMQ-UHFFFAOYSA-N
Molecular Formula C12H10N2O
Exact Mass 198.079 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-BML81371
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:25:28.301467
MetadataModified 2024-01-11T22:25:28.477693
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL486817 ChEMBL
60021263 NMRShiftDB
PD056450 ProbesDrugs
68094 PubChem
40580-83-4 ACToR
SCHEMBL10024119 SureChEMBL
95347 ChEBI
50498226 BindingDB
ZINC000100076738 ZINC
MTBLC95347 Metabolights
33436 Brenda
The data in this table is sourced from UniChem at EBI.