Spectrum MoNA016859 for D-GLUCOSAMINE

Rating: (*)★(*)★(*)★(*)★( )☆

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
0.5427167
-1
LC-ESI-QTOF
XEVO-G2S
6V (MS1); Ramp 15V-30V (MSE)
MSMS-USMARCStd-Pos-V1.msp
positive
2.471741643464528
0.7586459193641704
202.0637
[M+Na]+
26.934654764750015 ppm
-0.005442515999988018 Da