Spectrum PT101193 for D-Glucosamine-6-phosphate sodium salt

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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
259.15
C6H14NO8P
259.045703038
O=P(O)(O)OCC1OC(O)C(N)C(O)C1O
InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6+/m1/s1
XHMJOUIAFHJHBW-UKFBFLRUSA-N

Mass Spectral Metadata

NameValue
ESI
PT101193
Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
Copyright(C) 2009 Plant Science Center, RIKEN
Q-Tof Premier, Waters
LC-Q-TOF/MS
120 C
Q
Q
LOW-ENERGY CID
30 V
TOF
Continuum
CH3CN/H2O
3.0 kV
23.0 V
[M+H]+
MS2
positive
1.9963833907347497
0.8670182903594051
260.0535
[M+H]+
0.6653938517036035 ppm
-1.7303800001400305E-4 Da