Dataset

Fumonisin B1; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU596800 contains the MS2 mass spectrum of Fumonisin B1 with the InChIkey UVBUBMSSQKOIBE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C34H59NO15/c1-5-6-9-20(3)32(50-31(44)17-23(34(47)48)15-29(41)42)27(49-30(43)16-22(33(45)46)14-28(39)40)13-19(2)12-24(36)10-7-8-11-25(37)18-26(38)21(4)35/h19-27,32,36-38H,5-18,35H2,1-4H3,(H,39,40)(H,41,42)(H,45,46)(H,47,48)
SMILES CCCCC(C)C(C(CC(C)CC(CCCCC(CC(C(C)N)O)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O
InChI Key UVBUBMSSQKOIBE-UHFFFAOYSA-N
Molecular Formula C34H59NO15
Exact Mass 721.389 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU596800
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Maintainer
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MetadataPublished 2020-04-11
Related Molecule
  • 2-[2-[19-amino-6-(3,4-dicarboxybutanoyloxy)-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:185259 chebi
    CHEMBL1588379 chembl
    182918 surechembl
    3431 pubchem
    PD118504 probes_and_drugs
    HMDB0034702 hmdb
    The data in this table is sourced from UniChem at EBI.