Spectrum MoNA016716 for GUANINE

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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
UYTPUPDQBNUYGX-UHFFFAOYSA-N
C5H5N5O
151.04940978000002
N=C1N=C(O)C=2N=CNC2N1
InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)

Mass Spectral Metadata

NameValue
-1
-1
[M+H]+
C5H5N5O
0.9663333
LC-ESI-QTOF
XEVO-G2S
6V (MS1); Ramp 15V-30V (MSE)
MSMS-USMARCStd-Pos-V1.msp
positive
0.7447758089839713
0.4627552285366378
152.0537
24.200529155339343 ppm
-0.003679780000027222 Da