Spectrum MoNA024019 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
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
MTDHILKWIRSIHB-QZABAPFNSA-N
C6H13NO8S
259.036187376
O=S(=O)(O)OCC1OC(O)C(N)C(O)C1O

Mass Spectral Metadata

NameValue
Thermo Scientific Orbitrap ID-X
LC-ESI-Orbitrap
Flow Injection
ESI
MS2
HCD (NCE 40%)
C6H13NO8S
259.0
259.03619
IROA_DB_for_mona_filtered_exported_addedInfo.msp
positive
2.956359865945482
0.7031096285877134
260.04348999999996
[M+H]+
2.5664014893200298 ppm
-6.673760000239781E-4 Da