Spectrum FiehnHILIC001255 for Hypoxanthine

Rating: (*)★(*)★(*)★(*)★(*)★
  • Originally submitted to the Fiehn Lab HILIC 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
FDGQSTZJBFJUBT-UHFFFAOYSA-N
C5H4N4O
136.038510748
OC1=NC=NC=2NC=NC12
InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)

Mass Spectral Metadata

NameValue
M + 0
854
negative
HCD (NCE 20-30-40%)
4.91075
LC-ESI-QFT
Thermo Q Exactive HF
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
0.9479677113935472
0.38149027106286787
135.0301
[M-H]-
8.403667034226839 ppm
-0.0011347479999983534 Da