Spectrum MoNA016875 for GLCNAC

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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
C8H15NO6
221.08993719999998
OC(=NC1C(O)OC(CO)C(O)C1O)C
InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8+/m1/s1
OVRNDRQMDRJTHS-PVFLNQBWSA-N

Mass Spectral Metadata

NameValue
C8H15NO6
-1
-1
0.6713
LC-ESI-QTOF
XEVO-G2S
6V (MS1); Ramp 15V-30V (MSE)
MSMS-USMARCStd-Pos-V1.msp
positive
2.8806608910863103
0.7707104119088343
244.0795
[M+Na]+
0.8489037382373055 ppm
-2.0719999997709238E-4 Da