Spectrum CCMSLIB00000424823 for Spongothymidine

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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/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7+,9-/m1/s1
C10H14N2O6
258.08518616799995
O=C1N=C(O)C(=CN1C2OC(CO)C(O)C2O)C
DWRXFEITVBNRMK-JAGXHNFQSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Isolated
Ion Trap
258.228
1
f.mbertin/2189_7.mzXML;
MS2
GNPS-LIBRARY
mbertin, M. Bertin, Gerwick
positive
0.8518489407573181
0.28930772442038294
258.76
[M+H]+
1287.510310712473 ppm
-0.3331561679999595 Da