Spectrum CCMSLIB00005464336 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
58-63-9
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
C10H12N4O5
268.080769484
OC1=NC=NC2=C1N=CN2C3OC(CO)C(O)C3O
UGQMRVRMYYASKQ-KQYNXXCUSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
Orbitrap
268.081
-1
MSV000084495/peak/mzXML/GNPS00006_G8_n.mzXML
MS2
GNPS-MSMLS
Dorrestein, mpanitchpakdi, Kelly Weldon
negative
0.7670741001252482
0.2278012205801144
267.073
[M-H]-
1.8477494917242239 ppm
-4.934840000032636E-4 Da