Dataset

Glandicoline B; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+

This MassBank record with Accession MSBNK-AAFC-AC000776 contains the MS2 mass spectrum of Glandicoline B with the InChIkey YEVSOYBNHBOQJZ-UNPMEJEESA-N.

Chemical Information

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-AC000776
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Maintainer
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MetadataPublished 2017-07-07
Related Molecule
  • (1S,9R,14E)-2,11-dihydroxy-14-(1H-imidazol-5-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7,10-tetraene-12,15-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    51136326 PubChem
    J3.451.160H Nikkaji
    CHEMBL5269931 ChEMBL
    The data in this table is sourced from UniChem at EBI.