Spectrum MoNA010798 for 1,3,7-Trimethyluric acid

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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/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14)
BYXCFUMGEBZDDI-UHFFFAOYSA-N
C8H10N4O3
210.07529017999997
O=C1C2=C(N=C(O)N2C)N(C(=O)N1C)C

Mass Spectral Metadata

NameValue
40
MS2
DDA
PMID 28641411
Agilent 6550 iFunnel
Q-TOF
CC-BY
KI_HILIC V0.99f.msp.txt
AIF
2.7414866555471606
0.874339567146919
211.082565307617
[M+H]+
3.291945888409708 ppm
-6.948723829793835E-4 Da