Spectrum FiehnHILIC001138 for Cytidine

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
UHDGCWIWMRVCDJ-XVFCMESISA-N
C9H13N3O5
243.08552051599997
N=C1N=C(O)N(C=C1)C2OC(CO)C(O)C2O
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

Mass Spectral Metadata

NameValue
M + 0
1153
negative
HCD (NCE 20-30-40%)
6.8408
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)
1.4478375131767163
0.5826526776368998
242.0781
[M-H]-
0.5969808916112483 ppm
-1.4451599997755693E-4 Da