Spectrum FiehnHILIC000794 for Thymidine

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
O=C1N=C(O)C(=CN1C2OC(CO)C(O)C2)C
IQFYYKKMVGJFEH-XLPZGREQSA-N
C10H14N2O5
242.09027154799998
InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1

Mass Spectral Metadata

NameValue
M + 0
2.570717
positive
HCD (NCE 20-30-40%)
398
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)
1.3563023644865586
0.4787152253577862
243.0972
[M+H]+
4.284491964486774 ppm
-0.001041547999989234 Da