Spectrum CCMSLIB00005463648 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
89-84-9
na
InChI=1S/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H3
C8H8O3
152.04734411599998
O=C(C1=CC=C(O)C=C1O)C
SULYEHHGGXARJS-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
Orbitrap
152.047
-1
MSV000084072/peak/negative/GNPS00001_C2_n.mzXML
MS2
GNPS-MSMLS
mpanitchpakdi, Dorrestein, Fernando Vargas
negative
1.615292170739115
0.46197302375106
151.04
[M-H]-
0.45097987284317925 ppm
-6.811599999423379E-5 Da