Spectrum MoNA016603 for D-GLUCOSAMINE

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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
MSWZFWKMSRAUBD-IVMDWMLBSA-N
C6H13NO5
179.079372516
OCC1OC(O)C(N)C(O)C1O
InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6?/m1/s1

Mass Spectral Metadata

NameValue
C6H13NO5
-1
0.5534334
-1
LC-ESI-QTOF
XEVO-G2S
6V (MS1); Ramp 15V-30V (MSE)
MSMS-USMARCStd-Pos-V1.msp
positive
2.773517046103981
0.7164487295516395
381.138
[2M+Na]+
27.58851649548863 ppm
-0.010515032000057545 Da