Spectrum KO003075 for Hypoxanthine

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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
InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
FDGQSTZJBFJUBT-UHFFFAOYSA-N
C5H4N4O
136.038510748
OC1=NC=NC=2NC=NC12

Mass Spectral Metadata

NameValue
KO003075
2016.01.19 (Created 2007.07.07, modified 2011.05.10)
Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
KEIO_ID H014
136.03851
API3000, Applied Biosystems
LC-ESI-QQ
MS2
30 V
positive
0.13976459063373534
0.058286361468417466
137
[M+H]+
339.27553284666686 ppm
-0.046480747999993355 Da