Spectrum KO003093 for 4-Hydroxymethylimidazole

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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/C4H6N2O/c7-2-4-1-5-3-6-4/h1,3,7H,2H2,(H,5,6)
QDYTUZCWBJRHKK-UHFFFAOYSA-N
C4H6N2O
98.048012812
OCC1=CN=CN1

Mass Spectral Metadata

NameValue
KO003093
2016.01.19 (Created 2007.07.07, modified 2012.10.22)
Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
KEIO_ID H025
98.04801
API3000, Applied Biosystems
LC-ESI-QQ
MS2
10 V
positive
0.6845745087044905
0.32921074960898905
99
[M+H]+
565.4829494949124 ppm
-0.05598281199999633 Da