Spectrum MoNA016873 for GALNAC

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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-CBQIKETKSA-N

Mass Spectral Metadata

NameValue
C8H15NO6
-1
0.6820167
-1
LC-ESI-QTOF
XEVO-G2S
6V (MS1); Ramp 15V-30V (MSE)
MSMS-USMARCStd-Pos-V1.msp
positive
3.0509904590446517
0.7684549462548224
244.0776
[M+Na]+
8.63331989491589 ppm
-0.0021071999999833224 Da