Spectrum CCMSLIB00000479701 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
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
C5H5N5O
151.04940978000002
N=C1N=C(O)C=2N=CNC2N1

Mass Spectral Metadata

NameValue
DI-ESI
Commercial
Orbitrap
151.049
1
Guanine2.mzXML
MS2
GNPS-EMBL-MCF
Alexandrov Theodore, pphapale, Prasad
positive
0.42420406010454587
0.14406957084389518
152.064
[M+H]+
43.53574810588727 ppm
0.006620219999973642 Da