Spectrum MCH00013 for 2',4',6'-Trihydroxyaceto-phenone

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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
Non-Natural Product
InChI=1S/C8H8O4/c1-4(9)8-6(11)2-5(10)3-7(8)12/h2-3,10-12H,1H3
XLEYFDVVXLMULC-UHFFFAOYSA-N
C8H8O4
168.042258736
O=C(C=1C(O)=CC(O)=CC1O)C

Mass Spectral Metadata

NameValue
MCH00013
2016.01.19 (Created 2010.10.06, modified 2011.05.11)
Wada Y, Osaka Medical Center for Maternal and Child Health
CC BY-SA
MALDI-TOF
168.04226
Voyager DE-PRO, Applied Biosystems
MS1
UV 337 nm nitrogen lazer, 20 Hz, 10 nsec
10 mg/mL
50% acetonitrile
positive
2.7115525867729633
0.7626686726241465