Spectrum FiehnHILIC001614 for 2'-Deoxyuridine

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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
MXHRCPNRJAMMIM-SHYZEUOFSA-N
C9H12N2O5
228.07462148399998
O=C1N=C(O)C=CN1C2OC(CO)C(O)C2
InChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1

Mass Spectral Metadata

NameValue
M + 0
276
15 eV
positive
35 eV
3.1222
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
0.6387656030027591
0.32826058454593215
229.0804
[M+H]+
9.566440428685658 ppm
-0.002191483999979482 Da