Spectrum CCMSLIB00005464319 for GLUCOSAMINE 6-SULFATE

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
91674-26-9
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
C6H13NO8S
259.036187376
O=S(=O)(O)OCC1OC(O)C(N)C(O)C1O
MTDHILKWIRSIHB-QZABAPFNSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
Orbitrap
259.036
-1
MSV000084495/peak/mzXML/GNPS00006_F8_n.mzXML
MS2
GNPS-MSMLS
Dorrestein, mpanitchpakdi, Kelly Weldon
negative
1.6278208491279127
0.4227944010263164
258.029
[M-H]-
0.34346526940763095 ppm
8.86239999999816E-5 Da