Spectrum KO000621 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
KO000621
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
30 V
negative
1.9211898895853237
0.5829141330998147
266
[M-H]-
336.383067669193 ppm
-0.08947789600000533 Da