Spectrum MoNA024332 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
268.08076948400003
OC1=NC=NC2=C1N=CN2C3OC(CO)C(O)C3O

Mass Spectral Metadata

NameValue
Thermo Scientific Orbitrap ID-X
LC-ESI-Orbitrap
Flow Injection
ESI
MS2
HCD (NCE 40%)
C10H12N4O5
268.0
268.08077000000003
IROA_DB_for_mona_filtered_exported_addedInfo.msp
negative
0.4622503741218638
0.12530915685150676
267.07347000000004
[M-H]-
0.08793086035909059 ppm
-2.3483999996187777E-5 Da