Spectrum MetaboBASE0967 for Oroxylin A

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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
LKOJGSWUMISDOF-UHFFFAOYSA-N
C16H12O5
284.068473484
InChI=1S/C16H12O5/c1-20-16-11(18)8-13-14(15(16)19)10(17)7-12(21-13)9-5-3-2-4-6-9/h2-8,18-19H,1H3
O=C1C=C(OC2=CC(O)=C(OC)C(O)=C12)C=3C=CC=CC3

Mass Spectral Metadata

NameValue
283.0604
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
10
0.012
2014-08-28 19:29:26+02:00
Waters Acquity BEH C18 1.7um x 2.1 x 150 mm
807.6
C:\Data\Confirmed standards 27_Aug_2014\Oroxylin A vial 315 MSMS_1-A,5_01_717.d
1.2322373030185716
0.6877247332475142
[M-H]-
2.8173633612285642 ppm
-7.974839999747019E-4 Da