Dataset

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

This MassBank record with Accession MSBNK-AAFC-AC000767 contains the MS2 mass spectrum of Decarestrictine F with the InChIkey MXRJZFNJVFPSQN-NQRYBKARSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H12O4/c1-6-4-9-8(14-9)3-2-7(11)5-10(12)13-6/h2-3,6,8-9H,4-5H2,1H3/b3-2-/t6-,8-,9+/m1/s1
SMILES C[C@@H]1C[C@H]2[C@H](O2)/C=C\C(=O)CC(=O)O1
InChI Key MXRJZFNJVFPSQN-NQRYBKARSA-N
Molecular Formula C10H12O4
Exact Mass 196.074 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-AC000767
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Author
Maintainer
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MetadataPublished 2017-07-07
Related Molecule
  • (1S,3R,8Z,10R)-3-methyl-4,11-dioxabicyclo[8.1.0]undec-8-ene-5,7-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J506.446E Nikkaji
    101635652 PubChem
    DTXSID20894004 EPA CompTox Dashboard
    60053518 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.