Spectrum CCMSLIB00000577943 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
15763-06-1
27476
C11H15N5O4
281.11240396
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
GFYLSDSUCHVORB-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
0
LC-ESI
Commercial standard
Q-Exactive Plus
281.112
IROA_PLATE_pos_2_D.mzXML
MS2
GNPS-EMBL-MCF
Alexandrov Theodore, pphapale, Prasad
positive
0.6101144121943145
0.15935532974015168
282.12
[M+H]+
1.3255352331998709 ppm
-3.7395999999034757E-4 Da