Spectrum CCMSLIB00000081285 for Genistein

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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
485-72-3
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
C15H10O5
270.05282342
O=C1C(=COC=2C=C(O)C=C(O)C12)C=3C=CC(O)=CC3
TZBJGXHYKVUXJN-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
DI-ESI
Isolated
qTof
270.053
1
f.rsilva/q_tof_25_05/gnps_Genistein_pos_MplusNa.mgf;
MS2
GNPS-LIBRARY
rsilva, Denise Silva, Norberto Lopes
positive
0.0
NaN
293.167
[M+Na]+
424.3539688981717 ppm
0.12440657999997029 Da