Dataset

Coumaroyl Hexoside (isomer of 691, 692); LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR309357 contains the MS2 mass spectrum of Coumaroyl Hexoside (isomer of 691, 692) with the InChIkey DSNCQKUYZOSARM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2
SMILES O=C(OC1OC(CO)C(O)C(O)C1(O))C=CC2=CC=C(O)C=C2
InChI Key DSNCQKUYZOSARM-UHFFFAOYSA-N
Molecular Formula C15H18O8
Exact Mass 326.301 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR309357
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MetadataPublished 2019-03-28
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    72727649 PubChem
    The data in this table is sourced from UniChem at EBI.