Spectrum KO009043 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
KO009043
2011.12.05 (Created 2008.05.12)
Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
265.11749
LC/MSD Trap XCT, Agilent Technologies
LC-ESI-IT
MS3
0.70/0.50
LC/MSD Trap Control and Data Analysis
positive
266/150
[M+H]+
1.3872401412486641
0.5785240735846396
150.0
[M+H]+
774169.7289333334 ppm
-116.12545934000002 Da