Spectrum MoNA002150 for D-(+)-GALACTOSAMINE

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
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
MSWZFWKMSRAUBD-GASJEMHNSA-N
C6H13NO5
179.079372516
OCC1OC(O)C(N)C(O)C1O

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent QTOF 6550
40
C6H13NO5
179.079376
179.079376
qtof_library_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
1.8045990433804668
0.7837274065880236
180.086480712891
[M+H]+
4.785495866243922 ppm
-8.618031090179556E-4 Da