Spectrum MoNA032471 for 2',4'-DIHYDROXYACETOPHENONE

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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
SULYEHHGGXARJS-UHFFFAOYSA-N
C8H8O3
152.04734411599998
O=C(C1=CC=C(O)C=C1O)C
InChI=1S/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H3

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent qTOF 6545
C8H8O3
positive
40 eV
153.0546201
Sonnenburg Lab MS2 Library C18 positive method
Sonnenburg_Lab_qTOF_MS2_Spectra.msp
1.9066658691024054
0.6596611193330452
[M+H]+
4.534433521375724 ppm
-6.940159999828666E-4 Da