Spectrum KO003430 for 1-Methyladenosine

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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/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3/t5-,7-,8-,11-/m1/s1
GFYLSDSUCHVORB-IOSLPCCCSA-N
C11H15N5O4
281.11240396
N=C1C=2N=CN(C2N=CN1C)C3OC(CO)C(O)C3O

Mass Spectral Metadata

NameValue
KO003430
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 M051
281.1124
API3000, Applied Biosystems
LC-ESI-QQ
MS2
40 V
positive
0.7885535198524092
0.22963204953777225
282
[M+H]+
426.85801418437904 ppm
-0.1203739599999949 Da