Spectrum PT104800 for 2'-deoxyguanosine 5'-monophosphate sodium salt hydrate

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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
347.22
C10H14N5O7P
347.063084418
O=C1N=C(N)NC2=C1N=CN2C3OC(COP(=O)(O)O)C(O)C3
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
LTFMZDNNPPEQNG-KVQBGUIXSA-N

Mass Spectral Metadata

NameValue
PT104800
120 C
Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
Copyright(C) 2009 Plant Science Center, RIKEN
Q-Tof Premier, Waters
LC-Q-TOF/MS
ESI
Q
Q
LOW-ENERGY CID
Ramp 5-45 V
TOF
Continuum
CH3CN/H2O
3.0 kV
23.0 V
[M+H]+
MS2
positive
0.9264236899479327
0.5756194027682728
348.07088
[M+H]+
0.5010990865673933 ppm
-1.7441800002870878E-4 Da