Spectrum FiehnHILIC002678 for Thymidine 5'-monophosphate

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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
GYOZYWVXFNDGLU-XLPZGREQSA-N
C10H15N2O8P
322.05660207
O=C1N=C(O)C(=CN1C2OC(COP(=O)(O)O)C(O)C2)C
InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1

Mass Spectral Metadata

NameValue
M + 0
8.024716
1168
15 eV
negative
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)
1.0915106798196803
0.787358522426597
321.0487
[M-H]-
1.9500779788543112 ppm
-6.260700000098041E-4 Da