Spectrum CCMSLIB00005720546 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
6990
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
qTof
152.047
1
IROATECH_MSMLS_SCIEX_5600_TripleTOF.mgf
MS2
PSU-MSMLS
Andrew D. Patterson, mpanitchpakdi, Philip Smith
positive
2.6105741952726436
0.6231000776951797
153.055
[M+H]+
2.052307993662405 ppm
-3.141159999699994E-4 Da