Spectrum KO002709 for 2'-Deoxyguanosine

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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
Natural Product
InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1
YKBGVTZYEHREMT-KVQBGUIXSA-N
C10H13N5O4
267.096753896
N=C1N=C(O)C=2N=CN(C2N1)C3OC(CO)C(O)C3

Mass Spectral Metadata

NameValue
KO002709
2016.01.19 (Created 2007.07.07, modified 2011.05.10)
Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
KEIO_ID D057
267.09675
API3000, Applied Biosystems
LC-ESI-QQ
MS2
40 V
positive
2.2526774035475383
0.6623189279437411
268
[M+H]+
390.76080597013384 ppm
-0.10472389599999588 Da