Dataset

Harmalol; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR300550 contains the MS2 mass spectrum of Harmalol with the InChIkey CRQDWQWZCNKKAC-UHFFFAOYSA-N.

Chemical Information

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

HarmalolHTML

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Related Molecule ⌄

1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-7-one

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-PR300550
Version
Author
Maintainer
Language
MetadataPublished	2019-03-28
Related Molecule	1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-7-one

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.