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Typical chemical shift assignments for 15N CP/MAS Solid-state NMR of organic materials

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Chemical
Shift

Structure

Chemical
Assignment
NO3- = 0 ppm NH4+= 0 ppm
30 to 0 ppm 410 to 380 ppm Ø-N=O Nitroso-
25 to -25 ppm 405 to 355 ppm NO3- or NO2- Nitrate or Nitrite
-20 ppm 360 ppm CH3NO2 Nitromethane (solution NMR)
-10 to -30 ppm 350 to 330 ppm - Oxime(s)
-25 to -90 ppm 355 to 290 ppm Hydroxyimine, Phenazine
Pyridine (-80 ppm) , Nitrile (Knicker)
-90 to -150 ppm 290 to 240 ppm N7 of Purines
-120 to -140 ppm 260 to 240 ppm Pyroxime(s)
-150 to -180 ppm 230 to 200 ppm Nitrile (Steelink)
-220 to -270 ppm 160 to 110 ppm -O=C-NH-OH Pyrrole, Carbamate
>N-C=O- Amide(s), Lactam(s)
-230 to -240 ppm 150 to 140 ppm -NH-CO-CH3 Chitin Structures, N-Acetyls
-247 ppm -- >N-C=O- main amide peak in composts (Knicker)
-240 to -260 ppm 140 to 120 ppm -- Maillard products, Melanoidins
-280 to -300 ppm 100 to 80 ppm NH2-C(=NH)-NHR
  +NH3OH
Guanidine(s), Hydroxylammonium
Ca. -320 ppm 60 ppm Aniline(s)
-300 to -325 ppm 80 to 50 ppm NRH  NR2 Amines
-325 to -350 ppm 45 to 10 ppm NH2-CH2- terminal Amines eg. Lysine
-370 ppm 10 ppm +NH3CH2COO- Glycine
-350 to -380 30 to 0 ppm +NH4 Ammonium, Ammines
-400 ppm -20 ppm NH3 Ammonia (liquid)
-390 to -410 ppm -10 to -30 ppm NH2OH Hydroxamine(s)
Ca. - 200 ppm Ca. 200 ppm breakthrough The transmitter is pulsed in the 15N frequency at about 200 ppm, and imperfect filtering may result in breakthru pulses most obvious here.

 

Literature References include:

H.Knicker, G.Alemandros, F.J.Gonzales-Vila, F.Martin and H-D.Lü
Soil Biol. Biochem., 28, p1053, 1996.

C. Steelink
Humic Substances in the Global Environment, p405, 1994

Benzing-Purdie Et Al.
J. Soil Sci., 43, p113, 1992.



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