Spectrum PM006908 for Isobavachalcone

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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
324.14
InChI=1S/C20H20O4/c1-13(2)3-9-16-19(23)12-10-17(20(16)24)18(22)11-6-14-4-7-15(21)8-5-14/h3-8,10-12,21,23-24H,9H2,1-2H3/b11-6+
DUWPGRAKHMEPCM-IZZDOVSWSA-N
C20H20O4
324.13615912
O=C(C=CC1=CC=C(O)C=C1)C2=CC=C(O)C(=C2O)CC=C(C)C

Mass Spectral Metadata

NameValue
PM006908
Zhao L, Huang C, Shan Z, Xiang B, & Mei L
Copyright(C) 2012 Plant Science Center, RIKEN
H2O/CH3CN/CH3COOH
QIT
G2445A
ESI
positive
Psoralea corylifolia
[M+H]+
MS2
0.7113864571354167
0.5131568569324174
325
[M+H]+
443.47421538462254 ppm
-0.14412912000000233 Da