Spectrum CCMSLIB00000578104 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
6021
C10H12N4O5
268.080769484
O=C1N=CNC2=C1N=CN2C3OC(CO)C(O)C3O
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)
UGQMRVRMYYASKQ-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial standard
Q-Exactive Plus
268.081
0
IROA_PLATE_neg_1_B.mzXML
MS2
GNPS-EMBL-MCF
Alexandrov Theodore, pphapale, Prasad
negative
0.9131526225708989
0.3101278814171279
267.073
[M-H]-
1.8477494917242239 ppm
-4.934840000032636E-4 Da