Spectrum MoNA002160 for D-GLUCOSAMINE 6-SULFATE

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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
WJFVEEAIYIOATH-FMDGEEDCSA-N
C8H15NO9S
301.04675206
InChI=1S/C8H15NO9S/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H,14,15,16)/t4-,5-,6-,7-,8-/m1/s1
O=S(=O)(O)OCC1OC(O)C(N=C(O)C)C(O)C1O

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent QTOF 6550
10
C6H13NO8S
259.03619
259.03619
qtof_library_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
2.973870125834345
0.752641532044503
260.043499755859
[M+H]+
161554.59507191347 ppm
-42.01122230414103 Da