Dataset

Isoeleutherin; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00613 contains the MS2 mass spectrum of Isoeleutherin with the InChIkey IAJIIJBMBCZPSW-YGPZHTELSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H16O4/c1-8-7-11-13(9(2)20-8)16(18)14-10(15(11)17)5-4-6-12(14)19-3/h4-6,8-9H,7H2,1-3H3/t8?,9-/m1/s1
SMILES COc(c3)c(c(=O)1)c(cc3)c(=O)c(C2)c([C@@H](C)OC(C)2)1
InChI Key IAJIIJBMBCZPSW-YGPZHTELSA-N
Molecular Formula C16H16O4
Exact Mass 272.105 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00613
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (1R)-9-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    134737241 PubChem
    The data in this table is sourced from UniChem at EBI.