Spectrum MoNA016811 for URATE

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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
LEHOTFFKMJEONL-UHFFFAOYSA-N
C5H4N4O3
168.02833998799997
OC=1N=C(O)C=2N=C(O)NC2N1
InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)

Mass Spectral Metadata

NameValue
C5H4N4O3
-1
0.7598833
-1
LC-ESI-QTOF
XEVO-G2S
6V (MS1); Ramp 15V-30V (MSE)
MSMS-USMARCStd-Pos-V1.msp
positive
3.269389264929838
0.8274329547314311
169.0361
[M+H]+
1.242267184146984 ppm
-2.09987999966188E-4 Da