Spectrum FiehnHILIC002449 for 2'-Deoxyuridine 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
JSRLJPSBLDHEIO-SHYZEUOFSA-N
C9H13N2O8P
308.040952006
O=C1N=C(O)C=CN1C2OC(COP(=O)(O)O)C(O)C2
InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1

Mass Spectral Metadata

NameValue
M + 0
15 eV
1136
negative
8.260716
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)
1.3409732114018689
0.6103032094368718
307.0326
[M-H]-
3.5045333948422295 ppm
-0.0010760060000052363 Da