Spectrum MoNA016712 for 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
O=S(=O)(O)OCC1OC(O)C(N)C(O)C1O
MTDHILKWIRSIHB-QZABAPFNSA-N
C6H13NO8S
259.036187376
InChI=1S/C6H13NO8S/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H,11,12,13)/t2-,3-,4-,5-,6-/m1/s1

Mass Spectral Metadata

NameValue
-1
C6H13NO8S
-1
0.63915
LC-ESI-QTOF
XEVO-G2S
6V (MS1); Ramp 15V-30V (MSE)
MSMS-USMARCStd-Pos-V1.msp
positive
2.2917853693190358
0.7414279822747456
260.0415
[M+H]+
10.219045806157602 ppm
-0.002657376000001932 Da