Spectrum MoNA016894 for LUMAZINE

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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
C6H4N4O2
UYEUUXMDVNYCAM-UHFFFAOYSA-N
164.033425368
OC=1N=C(O)C2=NC=CN=C2N1
InChI=1S/C6H4N4O2/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1-2H,(H2,8,9,10,11,12)

Mass Spectral Metadata

NameValue
C6H4N4O2
-1
0.9449
-1
LC-ESI-QTOF
XEVO-G2S
6V (MS1); Ramp 15V-30V (MSE)
MSMS-USMARCStd-Pos-V1.msp
positive
1.918933740192304
0.6921090476924868
187.0211
[M+Na]+
11.203912285828167 ppm
-0.002095367999999098 Da