Spectrum CCMSLIB00000848069 for NCGC00384827-01!6-hydroxy-1,5-dimethoxyxanthen-9-one

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
n/a
n/a
InChI=1S/C15H12O5/c1-18-10-4-3-5-11-12(10)13(17)8-6-7-9(16)15(19-2)14(8)20-11/h3-7,16H,1-2H3
C15H12O5
272.068473484
O=C1C2=CC=C(O)C(OC)=C2OC3=CC=CC(OC)=C13
NTMVXGVBFJZCFH-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
272.068
1
positive
A11_GA11_01_2610.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
3.091314739013312
0.5132135195507976
273.075
[M+H]+
5.286034972048586 ppm
-0.0014434839999921678 Da