Dataset

Roquefortine M; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+

This MassBank record with Accession MSBNK-AAFC-AC000928 contains the MS2 mass spectrum of Roquefortine M with the InChIkey GIYROBMIPLLHQE-OQLLNIDSSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H23N5O4/c1-4-21(2,3)22(14-7-5-6-8-17(14)27(31)20(22)30)10-16-19(29)25-15(18(28)26-16)9-13-11-23-12-24-13/h4-9,11-12,16,31H,1,10H2,2-3H3,(H,23,24)(H,25,29)(H,26,28)/b15-9+
SMILES CC(C=C)(C1(C(N(O)C2=CC=CC=C12)=O)CC3C(N/C(C(N3)=O)=C/C4=CN=CN4)=O)C
InChI Key GIYROBMIPLLHQE-OQLLNIDSSA-N
Molecular Formula C22H23N5O4
Exact Mass 421.175 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-AC000928
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MetadataPublished 2017-07-07
Related Molecule
  • (6E)-3-[[1-hydroxy-3-(2-methylbut-3-en-2-yl)-2-oxoindol-3-yl]methyl]-6-(1H-imidazol-5-ylmethylidene)piperazine-2,5-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    137628390 PubChem
    The data in this table is sourced from UniChem at EBI.