Spectrum MetaboBASE0248 for Baicalein

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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/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
FXNFHKRTJBSTCS-UHFFFAOYSA-N
C15H10O5
270.05282342
O=C1C=C(OC2=CC(O)=C(O)C(O)=C12)C=3C=CC=CC3

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
40
0.014
2013-11-18 22:11:44+01:00
Waters Acquity BEH C18 1.7um x 2.1 x 150 mm
685.8
C:\Data\Confirmed Standards\Confirmed stds MSMS 14Nov13\Baicalein MSMS (vial 76).d
2.627815400794878
0.9091617345125199
269.0452
[M-H]-
1.291307185441996 ppm
-3.474199999686789E-4 Da