Dataset

Fumonisin Py2; LC-ESI-ITFT; MS2; CE: 40; R=17500; [M-H]-

This MassBank record with Accession MSBNK-AAFC-AC000939 contains the MS2 mass spectrum of Fumonisin Py2 with the InChIkey GZCJIEXTWGJVIN-MKHOGIGVSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C34H56O15/c1-5-6-12-21(3)32(49-31(43)18-24(34(46)47)16-29(40)41)27(48-30(42)17-23(33(44)45)15-28(38)39)14-20(2)11-9-7-8-10-13-25(36)19-26(37)22(4)35/h20-21,23-27,32,36-37H,5-19H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)/t20-,21+,23+,24+,25+,26-,27-,32+/m0/s1
SMILES CCCC[C@H]([C@@H](OC(C[C@H](C(O)=O)CC(O)=O)=O)[C@@H](OC(C[C@H](C(O)=O)CC(O)=O)=O)C[C@H](CCCCCC[C@@H](O)C[C@H](O)C(C)=O)C)C
InChI Key GZCJIEXTWGJVIN-MKHOGIGVSA-N
Molecular Formula C34H56O15
Exact Mass 704.362 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-AC000939
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MetadataPublished 2017-07-07
Related Molecule
  • (2R)-2-[2-[(5R,6R,7S,9S,16R,18S)-6-[(3R)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethyl-19-oxoicosan-7-yl]oxy-2-oxoethyl]butanedioic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    137628394 PubChem
    183918 ChEBI
    The data in this table is sourced from UniChem at EBI.