Dataset

Fusarenone-X; LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+

This MassBank record with Accession MSBNK-AAFC-AC000143 contains the MS2 mass spectrum of Fusarenone-X with the InChIkey XGCUCFKWVIWWNW-CAYGJDLQSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H22O8/c1-7-4-9-16(5-18,12(22)10(7)20)15(3)13(24-8(2)19)11(21)14(25-9)17(15)6-23-17/h4,9,11-14,18,21-22H,5-6H2,1-3H3/t9-,11-,12-,13-,14-,15-,16-,17+/m1/s1
SMILES CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)CO
InChI Key XGCUCFKWVIWWNW-CAYGJDLQSA-N
Molecular Formula C17H22O8
Exact Mass 354.131 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-AC000143
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Maintainer
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MetadataPublished 2017-07-07
Related Molecule
  • [(1S,2R,3S,7R,9R,10R,11S,12S)-3,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] acetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    304599 PubChem
    PD044437 ProbesDrugs
    60059546 NMRShiftDB
    499552 eMolecules
    0CV8D1DR96 FDA SRS
    ZINC000005327851 ZINC
    CHEMBL1079719 ChEMBL
    J34.150I Nikkaji
    The data in this table is sourced from UniChem at EBI.