Dataset

Isoflavanone base + 3O, O-Hex

This MassBank record with Accession MSBNK-RIKEN-PR309191 contains the MS2 mass spectrum of Isoflavanone base + 3O, O-Hex with the InChIkey SHXLURBSILXFRW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H22O10/c22-7-16-18(26)19(27)20(28)21(31-16)30-15-5-9(1-4-13(15)24)12-8-29-14-6-10(23)2-3-11(14)17(12)25/h1-6,12,16,18-24,26-28H,7-8H2
SMILES OCC1OC(OC2=C(O)C=CC(=C2)C2COC3=C(C=CC(O)=C3)C2=O)C(O)C(O)C1O
InChI Key SHXLURBSILXFRW-UHFFFAOYSA-N
Molecular Formula C21H22O10
Exact Mass 434.397 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR309191
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MetadataCreated 2024-01-11T20:08:02.077467
MetadataModified 2025-02-09T18:33:36.925411
MetadataPublished 2019-03-28
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