Spectrum MoNA001888 for INOSINE

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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/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1
UGQMRVRMYYASKQ-KQYNXXCUSA-N
C10H12N4O5
268.080769484
OC1=NC=NC2=C1N=CN2C3OC(CO)C(O)C3O

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent QTOF 6550
20
C10H12N4O5
268.08077
268.08077
qtof_library_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
1.1924137356820714
0.3302245480315789
269.087951660156
[M+H]+
2.92775592177105 ppm
-7.878238439502638E-4 Da