Spectrum FiehnHILIC003012 for Thymidine

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  • 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
IQFYYKKMVGJFEH-XLPZGREQSA-N
C10H14N2O5
242.09027154799998
O=C1N=C(O)C(=CN1C2OC(CO)C(O)C2)C
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
15 eV
negative
262
2.687217
35 eV
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
0.41278820999244004
0.25647973544263203
241.0845
[M-H]-
6.240351412081823 ppm
0.0015044520000060402 Da