Spectrum KO003513 for N6-Methyl-2'-deoxyadenosine

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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
InChI=1S/C11H15N5O3/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(18)7(3-17)19-8/h4-8,17-18H,2-3H2,1H3,(H,12,13,14)/t6-,7+,8+/m0/s1
DYSDOYRQWBDGQQ-XLPZGREQSA-N
C11H15N5O3
265.11748934
OCC1OC(N2C=NC=3C(=NC=NC32)NC)CC1O

Mass Spectral Metadata

NameValue
KO003513
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 M110
265.11749
API3000, Applied Biosystems
LC-ESI-QQ
MS2
20 V
positive
0.8893183795420269
0.2350089360139176
266
[M+H]+
471.65165413541484 ppm
-0.12545934000002035 Da