Spectrum CCMSLIB00000479614 for Cytidine

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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
65-46-3
6175
InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1
UHDGCWIWMRVCDJ-XVFCMESISA-N
C9H13N3O5
243.085520516
N=C1N=C(O)N(C=C1)C2OC(CO)C(O)C2O

Mass Spectral Metadata

NameValue
DI-ESI
Commercial
Orbitrap
243.086
1
Cytidine2.mzXML
MS2
GNPS-EMBL-MCF
Alexandrov Theodore, pphapale, Prasad
positive
0.11748069803592404
0.03921602042780367
244.09
[M+H]+
14.300118808633654 ppm
-0.0034905159999993884 Da