Spectrum TY000023 for Wogonin

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

Mass Spectral Metadata

NameValue
TY000023
2016.01.19 (Created 2008.09.24, modified 2011.05.06)
Ken TANAKA
CC BY-SA
284.06847
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
1165.899 sec
5 mM ammonium acetate
CH3CN
[M-H]-
negative
0.8198792739091887
0.7462862762104728