Spectrum FiehnHILIC000892 for 2'-Deoxycytidine

Rating: (*)★(*)★(*)★(*)★(*)★
  • 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
227.090605896
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
1042
negative
5.952567
HCD (NCE 20-30-40%)
LC-ESI-QFT
Thermo Q Exactive HF
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
0.8782497526805875
0.35343370051970174
226.0831
[M-H]-
1.0168650377120478 ppm
-2.2989600000755672E-4 Da