Dataset

Harmaline

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00079 contains the MS2 mass spectrum of Harmaline with the InChIkey QJOZJXNKVMFAET-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,14H,5-6H2,1-2H3
SMILES CC1=C2C(=C3C=CC(=CC3=N2)OC)CCN1
InChI Key QJOZJXNKVMFAET-UHFFFAOYSA-N
Molecular Formula C13H14N2O
Exact Mass 214.111 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-BML00079
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:27:45.722231
MetadataModified 2024-01-11T22:27:45.909589
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL3862598 SureChEMBL
70031352 NMRShiftDB
PD056221 ProbesDrugs
ZINC000012496083 ZINC
95328 ChEBI
MTBLC95328 Metabolights
The data in this table is sourced from UniChem at EBI.