Dataset

Gardnerine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR300366 contains the MS2 mass spectrum of Gardnerine with the InChIkey RBALEJFQJCAPLN-RFEOFLAMSA-N.

Chemical Information

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/b11-3-/t14?,16?,18?,19-/m0/s1
SMILES	COC1=CC2=C(C=C1)C1=C(N2)[C@@H]2CC3C(CO)C(C1)N2C\C3=C\C
InChI Key	RBALEJFQJCAPLN-RFEOFLAMSA-N
Molecular Formula	C20H24N2O2
Exact Mass	324.424 g/mol

Data and Resources

GardnerineHTML

Go to source

Related Molecule ⌄

[(1S,15E)-15-ethylidene-6-methoxy-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-13-yl]methanol

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-PR300366
Version
Author
Maintainer
Language
MetadataPublished	2019-03-28
Related Molecule	[(1S,15E)-15-ethylidene-6-methoxy-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-13-yl]methanol

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
6445140	PubChem
The data in this table is sourced from UniChem at EBI.