Spectrum MoNA001773 for L-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
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
MS2
LC-ESI-QTOF
Agilent QTOF 6550
10
C11H15N5O4
281.11241
281.11241
qtof_library_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
1.217365961706393
0.3128011748891364
282.119955880301
[M+H]+
1.4819217509233338 ppm
-4.1807969898854935E-4 Da