Dataset

Gardneramine

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

Chemical Info

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

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
MetadataCreated 2024-01-11T20:07:56.234399
MetadataModified 2025-02-09T18:39:04.821674
MetadataPublished 2019-03-28
Related Molecule
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.