Spectrum CCMSLIB00005464413 for N-ACETYLGLUCOSAMINE

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
7512-17-6
InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8?/m1/s1
C8H15NO6
221.08993719999998
OC(=NC1C(O)OC(CO)C(O)C1O)C
OVRNDRQMDRJTHS-RTRLPJTCSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
Orbitrap
221.09
1
MSV000084495/peak/mzXML/GNPS00006_D6_p.mzXML
MS2
GNPS-MSMLS
Dorrestein, mpanitchpakdi, Kelly Weldon
positive
0.8861490377575343
0.31277172953338717
465.169
[2M+Na]+
1.3853029759050328 ppm
-6.443999999987682E-4 Da