Dataset

7-Benzyloxygramine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80590 contains the MS mass spectrum of 7-Benzyloxygramine with the InChIkey SUZMCIRGERDWMV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H20N2O/c1-20(2)12-15-11-19-18-16(15)9-6-10-17(18)21-13-14-7-4-3-5-8-14/h3-11,19H,12-13H2,1-2H3
SMILES CN(C)CC1=CNC2=C1C=CC=C2OCC3=CC=CC=C3
InChI Key SUZMCIRGERDWMV-UHFFFAOYSA-N
Molecular Formula C18H20N2O
Exact Mass 280.158 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-BML80590
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:23:51.785067
MetadataModified 2024-01-11T22:23:51.946987
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
260807 PubChem
CB8441627 ChemicalBook
J2.550.812B Nikkaji
94067-27-3 ACToR
SCHEMBL2379736 SureChEMBL
535536 eMolecules
MCULE-1044891143 Mcule
ZINC000000057233 ZINC
DTXSID20293836 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.