Spectrum VF-NPL-QEHF000768 for Arabinofuranosyluracil

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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
InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)
C9H12N2O6
244.06953610399998
O=C1N=C(O)C=CN1C2OC(CO)C(O)C2O
DRTQHJPVMGBUCF-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
65HCD
MX_C1_11_p13_D08_NEG_QEHF_08.raw
6
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.568944164232575
0.5475919136084008
243.062255859375
[M-H]-
0.017463118550684775 ppm
-4.244624989269141E-6 Da