Dataset

Gardneramine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR300135 contains the MS2 mass spectrum of Gardneramine with the InChIkey RIMDDIPKIZTBHU-KPDHXFAYSA-N.

Chemical Information

molecular Image

InChI	InChI=1S/C23H28N2O5/c1-26-6-5-12-10-25-15-9-23-18(25)7-13(12)14(15)11-30-22(23)24-20-16(27-2)8-17(28-3)21(29-4)19(20)23/h5,8,13-15,18H,6-7,9-11H2,1-4H3/b12-5+/t13-,14+,15+,18?,23?/m1/s1
SMILES	COC\C=C1/CN2[C@H]3CC45C2C[C@H]1[C@@H]3COC4=NC1=C5C(OC)=C(OC)C=C1OC
InChI Key	RIMDDIPKIZTBHU-KPDHXFAYSA-N
Molecular Formula	C23H28N2O5
Exact Mass	412.486 g/mol

Data and Resources

GardneramineHTML

Go to source

Related Molecule ⌄

(12S,13S,16Z,17S)-3,4,6-trimethoxy-16-(2-methoxyethylidene)-10-oxa-8,14-diazahexacyclo[11.6.1.01,9.02,7.012,17.014,19]icosa-2(7),3,5,8-tetraene

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-PR300135
Version
Author
Maintainer
Language
MetadataPublished	2019-03-28
Related Molecule	(12S,13S,16Z,17S)-3,4,6-trimethoxy-16-(2-methoxyethylidene)-10-oxa-8,14-diazahexacyclo[11.6.1.01,9.02,7.012,17.014,19]icosa-2(7),3,5,8-tetraene

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
34274-91-4	ACToR
6441560	PubChem
The data in this table is sourced from UniChem at EBI.