Spectrum CCMSLIB00005464387 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
951-77-9
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
C9H13N3O4
227.090605896
N=C1N=C(O)N(C=C1)C2OC(CO)C(O)C2
CKTSBUTUHBMZGZ-SHYZEUOFSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
Orbitrap
227.091
1
MSV000084495/peak/mzXML/GNPS00006_E1_p.mzXML
MS2
GNPS-MSMLS
Dorrestein, mpanitchpakdi, Kelly Weldon
positive
2.289874601823028
0.6947778955452767
455.188
[2M+H]+
2.5962723094880094 ppm
-0.001181792000011228 Da