Spectrum MoNA002249 for URACIL

Rating: (*)★(*)★(*)★(*)★(*)☆

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/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
ISAKRJDGNUQOIC-UHFFFAOYSA-N
C4H4N2O2
112.027277368
OC1=NC=CC(O)=N1

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent QTOF 6550
40
C4H4N2O2
112.02728
112.02728
qtof_library_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
1.8415371457679228
0.7997694206268731
113.034381866455
[M+H]+
7.656975963435255 ppm
-8.65501544993208E-4 Da