Spectrum CCMSLIB00000577924 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
13711
C9H13N3O4
227.090605896
O=C1N=C(N)C=CN1C2OC(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
CKTSBUTUHBMZGZ-SHYZEUOFSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial standard
Q-Exactive Plus
227.091
0
IROA_PLATE_pos_2_A.mzXML
MS2
GNPS-EMBL-MCF
Alexandrov Theodore, pphapale, Prasad
positive
0.5074658578637496
0.14920211940647576
228.1
[M+H]+
6.243331871961797 ppm
0.001424103999994486 Da