Spectrum MoNA024346 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
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)
LEHOTFFKMJEONL-UHFFFAOYSA-N
C5H4N4O3
168.02833998799997
OC=1N=C(O)C=2N=C(O)NC2N1

Mass Spectral Metadata

NameValue
Thermo Scientific Orbitrap ID-X
LC-ESI-Orbitrap
Flow Injection
ESI
MS2
HCD (NCE 40%)
C5H4N4O3
168.0
168.02834
IROA_DB_for_mona_filtered_exported_addedInfo.msp
negative
2.5209074144321626
0.6881029058417413
167.02104
[M-H]-
0.14362262371881715 ppm
-2.3987999981045505E-5 Da