Spectrum MoNA032428 for 5'-METHYLTHIOADENOSINE

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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
WUUGFSXJNOTRMR-IOSLPCCCSA-N
C11H15N5O3S
297.08956034000005
OC1C(O)C(OC1N2C=NC=3C(=NC=NC32)N)CSC
InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1

Mass Spectral Metadata

NameValue
C11H15N5O3S
MS2
LC-ESI-QTOF
Agilent qTOF 6545
positive
20 eV
Sonnenburg Lab MS2 Library C18 positive method
Sonnenburg_Lab_qTOF_MS2_Spectra.msp
0.6269311769927665
0.32217889263649946
298.0968364
[M+H]+
2.32790125670738 ppm
-6.939400000760543E-4 Da