Spectrum VF-NPL-QTOF007383 for Deoxyguanylic acid

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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
LTFMZDNNPPEQNG-KVQBGUIXSA-N
C10H14N5O7P
347.063084418
O=P(O)(O)OCC1OC(N2C=NC=3C(O)=NC(=N)NC32)CC1O
InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent 6530 Q-TOF
Arpana Vaniya and Alberto Valdes Tabernero
positive
20 V
120_48
0.2945 minutes
0.6522014702522038
0.40523555783883564
348.0704
[M+H]+
1.8801311459134045 ppm
-6.544180000105371E-4 Da