Spectrum PR010180 for N-Acetyl-D-glucosamine

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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
Natural Product
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
OVRNDRQMDRJTHS-RTRLPJTCSA-N
C8H15NO6
221.08993719999998
OC(=NC1C(O)OC(CO)C(O)C1O)C

Mass Spectral Metadata

NameValue
PR010180
2016.01.19 (Created 2006.12.21, modified 2011.05.06)
Kusano M, Fukushima A, Plant Science Center, RIKEN.
CC BY-SA
221.08994
Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
GC-EI-TOF
MS1
2073.4
530.434 sec
C20H47NO6Si4
509.24804
4 TMS
ChromaTOF ver. 2.32 (Leco)
positive
3.3609144137734224
0.6343361828404643