Spectrum CCMSLIB00000578145 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
73-40-5
764
C5H5N5O
151.04940978
O=C1N=C(N)NC=2N=CNC12
InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
UYTPUPDQBNUYGX-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial standard
Q-Exactive Plus
151.049
0
IROA_PLATE_ce_neg_1_G.mzXML
MS2
GNPS-EMBL-MCF
Alexandrov Theodore, pphapale, Prasad
negative
1.2306254652195372
0.37771301459558626
150.042
[M-H]-
0.8916170138944496 ppm
-1.33779999998751E-4 Da