Dataset

Gardnutine

This MassBank record with Accession MSBNK-RIKEN-PR308860 contains the MS2 mass spectrum of Gardnutine with the InChIkey XJTWLFBHBFSVRS-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H22N2O2/c1-3-10-8-22-16-7-13(10)14-9-24-20(19(14)22)17-12-5-4-11(23-2)6-15(12)21-18(16)17/h3-6,13-14,16,19-21H,7-9H2,1-2H3
SMILES COC1=CC=C2C(NC3=C2C2OCC4C2N2CC(=CC)C4CC32)=C1
InChI Key XJTWLFBHBFSVRS-UHFFFAOYSA-N
Molecular Formula C20H22N2O2
Exact Mass 322.408 g/mol

Data and Resources

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-PR308860
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:43:53.346523
MetadataModified 2024-01-11T20:43:53.501917
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
72811236 PubChem
182652 ChEBI
The data in this table is sourced from UniChem at EBI.