Spectrum MetaboBASE0104 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
InChI=1S/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H3
SULYEHHGGXARJS-UHFFFAOYSA-N
C8H8O3
152.04734411599998
O=C(C1=CC=C(O)C=C1O)C

Mass Spectral Metadata

NameValue
License CC-BY-NC-SA 4.0 International
Plant Biology, The Noble Foundation, Ardmore, OK, US/Dennis Fine, Daniel Wherritt, and Lloyd Sumner
LC-ESI-TOF
impact HD
ESI
negative
MS2
5
Nitrogen
10
0.023
2013-09-05 19:46:08+02:00
Waters Acquity BEH C18 1.7um x 2.1 x 150 mm
298.8
C:\Data\Confirmed Standards\Reinjection 2 uL\MSMS\2,4-Dihydroxyacetophenone MSMS.d
0.8723013605374497
0.5419913087657967
151.0443
[M-H]-
28.01750215007387 ppm
0.004231884000006403 Da