Spectrum FiehnHILIC000124 for 5-Hydroxymethylcytidine

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
NFEXJLMYXXIWPI-JXOAFFINSA-N
C10H15N3O6
273.09608519999995
N=C1N=C(O)N(C=C1CO)C2OC(CO)C(O)C2O
InChI=1S/C10H15N3O6/c11-8-4(2-14)1-13(10(18)12-8)9-7(17)6(16)5(3-15)19-9/h1,5-7,9,14-17H,2-3H2,(H2,11,12,18)/t5-,6-,7-,9-/m1/s1

Mass Spectral Metadata

NameValue
M + 0
positive
HCD (NCE 20-30-40%)
7.539866
1397
LC-ESI-QFT
Thermo Q Exactive HF
Michael Sa and Megan Showalter
MS2
274.1031
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
0.7455312124448772
0.3000238308785089
[M+H]+
3.484820127770926 ppm
-9.551999999644067E-4 Da