Spectrum FiehnHILIC000133 for 5-Methylcytidine

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
ZAYHVCMSTBRABG-JXOAFFINSA-N
C10H15N3O5
257.10117058
N=C1N=C(O)N(C=C1C)C2OC(CO)C(O)C2O
InChI=1S/C10H15N3O5/c1-4-2-13(10(17)12-8(4)11)9-7(16)6(15)5(3-14)18-9/h2,5-7,9,14-16H,3H2,1H3,(H2,11,12,17)/t5-,6-,7-,9-/m1/s1

Mass Spectral Metadata

NameValue
M + 0
positive
HCD (NCE 20-30-40%)
620
6.390517
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)
0.13431394958791798
0.04959802795873228
258.1081
[M+H]+
4.031566618770998 ppm
-0.0010405799999944065 Da