Spectrum KNA00294 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
Natural Product
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
KNA00294
244.09
[M+H]+
2016.01.19 (Created 2009.11.17, modified 2011.08.03)
Takahashi H, Kanaya S, Ogasawara N, Graduate School of Information Science, NAIST
CC BY-SA
243.08552
LTQ Orbitrap XL, Thermo Scientfic
LC-ESI-ITFT
MS2
35eV
ESI
TOSOH TSKgel ODS-100V 5um Part no. 21456
0min:3%, 45min:97%, 50min:97%, 50.1:3%, 57min:3% (acetonitrile)
0.5 ml/min
5.466600 min
0.1%formate-water / 0.1%formate-acetonitrile
positive
0.013818945354391739
0.012578546132180063
14.300118808633654 ppm
-0.0034905159999993884 Da