Spectrum FiehnHILIC001711 for 5-Methyl-3-deoxyuridine

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
UYUWZFRYAAHPDN-LKEWCRSYSA-N
C10H14N2O5
242.090271548
O=C1N=C(O)C(=CN1C2OC(CO)CC2O)C
InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-8(5)15)9-7(14)2-6(4-13)17-9/h3,6-7,9,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,9+/m0/s1

Mass Spectral Metadata

NameValue
M + 0
2.602383
245
15 eV
positive
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)
1.0803487131127345
0.3548499757224906
243.097
[M+H]+
5.107212347317628 ppm
-0.0012415479999958734 Da