Spectrum VF-NPL-QTOF007406 for Deoxyuridine

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  • Originally submitted to the Vaniya/Fiehn Natural Products 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
MS2
LC-ESI-QTOF
Agilent 6530 Q-TOF
Arpana Vaniya and Alberto Valdes Tabernero
negative
10 V
120_35
0.3297 minutes
1.67828255792165
0.6753905858253599
227.0673
[M-H]-
0.20031065678539595 ppm
-4.5483999997486535E-5 Da