Spectrum MoNA016692 for DEOXYCYTIDINE

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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
CKTSBUTUHBMZGZ-SHYZEUOFSA-N
C9H13N3O4
227.09060589599997
N=C1N=C(O)N(C=C1)C2OC(CO)C(O)C2
InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1

Mass Spectral Metadata

NameValue
C9H13N3O4
-1
0.6498666
-1
LC-ESI-QTOF
XEVO-G2S
6V (MS1); Ramp 15V-30V (MSE)
MSMS-USMARCStd-Pos-V1.msp
positive
1.1879222387550146
0.46313672248510596
228.0931
[M+H]+
24.007284744601108 ppm
-0.005475895999978775 Da