Dataset

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

This MassBank record with Accession MSBNK-AAFC-AC000907 contains the MS2 mass spectrum of Fumiquinazoline F with the InChIkey SUVZUTHVKIBYOH-KPZWWZAWSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H18N4O2/c1-12-19-24-17-9-5-3-7-15(17)21(27)25(19)18(20(26)23-12)10-13-11-22-16-8-4-2-6-14(13)16/h2-9,11-12,18,22H,10H2,1H3,(H,23,26)/t12-,18+/m0/s1
SMILES C[C@H]1C2=NC3=CC=CC=C3C(=O)N2[C@@H](C(=O)N1)CC4=CNC5=CC=CC=C54
InChI Key SUVZUTHVKIBYOH-KPZWWZAWSA-N
Molecular Formula C21H18N4O2
Exact Mass 358.143 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-AC000907
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Maintainer
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MetadataPublished 2017-07-07
Related Molecule
  • (1S,4R)-4-(1H-indol-3-ylmethyl)-1-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    15076837 PubChem: Thomson Pharma
    64550 ChEBI
    60073860 NMRShiftDB
    10089772 PubChem
    DTXSID30891847 EPA CompTox Dashboard
    MTBLC64550 Metabolights
    CHEMBL2229117 ChEMBL
    ZINC000015219760 ZINC
    J2.450.529D Nikkaji
    The data in this table is sourced from UniChem at EBI.