Dataset

Isoflavone base + 2O, 1MeO; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR309183 contains the MS2 mass spectrum of Isoflavone base + 2O, 1MeO with the InChIkey DXYUAIFZCFRPTH-UHFFFAOYSA-N.

Chemical Information

molecular Image

InChI	InChI=1S/C16H12O5/c1-20-15-6-11-14(7-13(15)18)21-8-12(16(11)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
SMILES	O=C1C(=COC=2C=C(O)C(OC)=CC1=2)C3=CC=C(O)C=C3
InChI Key	DXYUAIFZCFRPTH-UHFFFAOYSA-N
Molecular Formula	C16H12O5
Exact Mass	284.267 g/mol

Data and Resources

Isoflavone base + 2O, 1MeOHTML

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Related Molecule ⌄

7-hydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one

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-PR309183
Version
Author
Maintainer
Language
MetadataPublished	2019-03-28
Related Molecule	7-hydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEBI:34778	chebi
LMPK12050104	lipidmaps
CHEMBL513024	chembl
19720	surechembl
29497281	surechembl
5317750	pubchem
92M5F28TVF	fdasrs
PD015502	probes_and_drugs
13662	brenda
164082	brenda
234048	brenda
HMDB0005781	hmdb
DTXSID40193960	comptox
Molport-003-889-283	molport
50241530	bindingdb
The data in this table is sourced from UniChem at EBI.