Spectrum FiehnHILIC001015 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
273.0960852
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
7.573483
1293
negative
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)
1.9863708253952577
0.6524408560051833
272.089
[M-H]-
0.701241137952627 ppm
1.9079999998439234E-4 Da