Spectrum KO002728 for 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
Natural Product
InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1
OLXZPDWKRNYJJZ-RRKCRQDMSA-N
C10H13N5O3
251.101839276
OCC1OC(N2C=NC=3C(=NC=NC32)N)CC1O

Mass Spectral Metadata

NameValue
KO002728
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 D069
251.10184
API3000, Applied Biosystems
LC-ESI-QQ
MS2
30 V
positive
2.136014904155198
0.54326287676068
252
[M+H]+
435.7510952380671 ppm
-0.1098092759999929 Da