Spectrum VF-NPL-QEHF026158 for Hypoxanthine

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  • Originally submitted to the Vaniya/Fiehn Natural Products Library

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)
C5H4N4O
136.038510748
OC1=NC=NC=2NC=NC12
FDGQSTZJBFJUBT-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35HCD
NP_UC_2288_p4_H07_6.raw
17
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.6156523728759367
0.4779830035565536
175.0016632080078
[M+K]+
772.2643174627335 ppm
-0.13514753999217533 Da