Spectrum MetaboBASE0420 for 7-Hydroxy-2'-methoxyflavone

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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
InChI=1S/C16H12O4/c1-19-14-5-3-2-4-12(14)16-9-13(18)11-7-6-10(17)8-15(11)20-16/h2-9,17H,1H3
PFEQKIBOPJQNBI-UHFFFAOYSA-N
C16H12O4
268.073558864
O=C1C=C(OC2=CC(O)=CC=C12)C=3C=CC=CC3OC

Mass Spectral Metadata

NameValue
License CC-BY-NC-SA 4.0 International
Plant Biology, The Noble Foundation, Ardmore, OK, US/Dennis Fine, Daniel Wherritt, and Lloyd Sumner
LC-ESI-TOF
impact HD
ESI
negative
MS2
5
Nitrogen
30
0.012
2014-07-26 10:43:56+02:00
Waters Acquity BEH C18 1.7um x 2.1 x 150 mm
713.4
C:\Data\Confirmed standards 24_July_2014\MSMS\7Hydroxy2'methoxyflavon v120_1-C,1_01_498.d
2.5396034629033535
0.47494901651296934
267.0611
[M-H]-
19.40703457001165 ppm
-0.005182864000005338 Da