Spectrum CCMSLIB00005464383 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
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
C11H15N5O4
281.11240396000005
N=C1C=2N=CN(C2N=CN1C)C3OC(CO)C(O)C3O
GFYLSDSUCHVORB-IOSLPCCCSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
Orbitrap
281.112
-1
MSV000084495/peak/mzXML/GNPS00006_G11_n.mzXML
MS2
GNPS-MSMLS
Dorrestein, mpanitchpakdi, Kelly Weldon
negative
0.7839550085133181
0.2536215598273575
280.105
[M-H]-
0.4568286893950614 ppm
-1.2796000004300367E-4 Da