Spectrum CCMSLIB00005464034 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
InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
C5H5N5O
151.04940978000002
N=C1N=C(O)C=2N=CNC2N1
UYTPUPDQBNUYGX-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
Orbitrap
151.049
1
MSV000084493/peak/mzXML/GNPS00004_H2_p.mzXML
MS2
GNPS-MSMLS
Dorrestein, mpanitchpakdi, Kelly Weldon
positive
1.0071843584178206
0.28328713279225015
152.057
[M+H]+
2.4976160257755975 ppm
-3.7978000003136003E-4 Da