Spectrum TY000024 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
Natural Product; Flavonoid
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
CH3CN
TY000024
2016.01.19 (Created 2008.09.24, modified 2011.05.06)
Ken TANAKA
CC BY-SA
270.05282
Shimadzu LC20A-IT-TOFMS
LC-ESI-ITTOF
MS1
200 C
-3.50 kV
0.1 sec/scan (m/z = 150-2000)
Waters Atlantis T3 (2.1 x 150 mm, 5 um)
40 C
10 % B to 100 % B/40 min
0.2 ml/min
981.900 sec
5 mM ammonium acetate
[M-H]-
negative
0.5048908235636286
0.7284034873455916