Dataset

Salicin; LC-ESI-QTOF; MS; NEGATIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML82126 contains the MS mass spectrum of Salicin with the InChIkey NGFMICBWJRZIBI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2
SMILES C1=CC=C(C(=C1)CO)OC2C(C(C(C(O2)CO)O)O)O
InChI Key NGFMICBWJRZIBI-UHFFFAOYSA-N
Molecular Formula C13H18O7
Exact Mass 286.105 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-BML82126
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Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]oxane-3,4,5-triol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL315895 chembl
    4533731 surechembl
    5145 pubchem
    12454 gtopdb
    PD055296 probes_and_drugs
    178964 bindingdb
    179034 bindingdb
    Molport-004-285-477 molport
    The data in this table is sourced from UniChem at EBI.