Dataset

D-Pinitol; LC-ESI-QTOF; MS; NEGATIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81146 contains the MS mass spectrum of D-Pinitol with the InChIkey DSCFFEYYQKSRSV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3
SMILES COC1C(C(C(C(C1O)O)O)O)O
InChI Key DSCFFEYYQKSRSV-UHFFFAOYSA-N
Molecular Formula C7H14O6
Exact Mass 194.079 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-Washington_State_Univ-BML81146
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 6-methoxycyclohexane-1,2,3,4,5-pentol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL171890 ChEMBL
    SCHEMBL23720629 SureChEMBL
    ZZZIIO CCDC
    MCULE-7951850879 Mcule
    J3.334.597F Nikkaji
    230881 PubChem
    60074342 NMRShiftDB
    PD065201 ProbesDrugs
    484-68-4 ACToR
    60537-25-9 ACToR
    642-38-6 ACToR
    10284-63-6 ACToR
    SCHEMBL24537 SureChEMBL
    1972348 eMolecules
    The data in this table is sourced from UniChem at EBI.