Spectrum FiehnHILIC001612 for 2'-Deoxycytidine

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  • Originally submitted to the Fiehn Lab HILIC Library

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
M + 0
15 eV
617
positive
35 eV
5.6627
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
0.5648521943293382
0.18553063933130773
228.0958
[M+H]+
12.16986897599346 ppm
-0.0027758959999744093 Da