Dataset

Gardnerine

This MassBank record with Accession MSBNK-RIKEN-PR304688 contains the MS2 mass spectrum of Gardnerine with the InChIkey RBALEJFQJCAPLN-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H24N2O2/c1-3-11-9-22-18-8-15-13-5-4-12(24-2)6-17(13)21-20(15)19(22)7-14(11)16(18)10-23/h3-6,14,16,18-19,21,23H,7-10H2,1-2H3
SMILES COC1=CC2=C(C=C1)C1=C(N2)C2CC3C(CO)C(C1)N2CC3=CC
InChI Key RBALEJFQJCAPLN-UHFFFAOYSA-N
Molecular Formula C20H24N2O2
Exact Mass 324.424 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-PR304688
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:40:08.988393
MetadataModified 2024-01-11T20:40:09.157180
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
72952949 PubChem
182379 ChEBI
The data in this table is sourced from UniChem at EBI.