Dataset

Glandicoline B

This MassBank record with Accession MSBNK-AAFC-AC000779 contains the MS2 mass spectrum of Glandicoline B with the InChIkey YEVSOYBNHBOQJZ-UNPMEJEESA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H21N5O4/c1-4-20(2,3)21-10-17(28)19(30)26-16(9-13-11-23-12-24-13)18(29)25-22(21,26)27(31)15-8-6-5-7-14(15)21/h4-12,28,31H,1H2,2-3H3,(H,23,24)(H,25,29)/b16-9+/t21-,22-/m0/s1
SMILES C=CC(C)(C)[C@]12C=C(C(=O)N3/C(=C/c4cnc[nH]4)/C(=N[C@@]23N(c2ccccc12)O)O)O
InChI Key YEVSOYBNHBOQJZ-UNPMEJEESA-N
Molecular Formula C22H21N5O4
Exact Mass 419.159 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000779
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:24:29.237636
MetadataModified 2024-01-11T09:24:29.391494
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
51136326 PubChem
CHEMBL5269931 ChEMBL
J3.451.160H Nikkaji
The data in this table is sourced from UniChem at EBI.