Spectrum MoNA016936 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
GFYLSDSUCHVORB-IOSLPCCCSA-N
C11H15N5O4
281.11240396000005
N=C1C=2N=CN(C2N=CN1C)C3OC(CO)C(O)C3O
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

Mass Spectral Metadata

NameValue
C11H15N5O4
-1
1.762833
-1
LC-ESI-QTOF
XEVO-G2S
6V (MS1); Ramp 15V-30V (MSE)
MSMS-USMARCStd-Pos-V1.msp
positive
0.9893312885238031
0.5521563053047726
282.1162
[M+H]+
14.79518014229474 ppm
-0.004173960000059651 Da