Spectrum VF-NPL-LTQ000557 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
C9H12N2O6
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)
244.06953610399998
O=C1N=C(O)C=CN1C2OC(CO)C(O)C2O
DRTQHJPVMGBUCF-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35
MX_C1_11_p13_D08_POS_iTree_02.raw
positive
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
0.7732358307926377
0.7038295846208505
267.0855352228338
M-H
89945.99838134556 ppm
24.023275118833823 Da