Experiments currently available on Bruker Avance 500

Obs. nuclei

Exp. Name

Parameters

Description

1H

1d_1H_12ppm

pulse prog.: zg30

1H observe with 30o pulse

SW: 12 ppm, TD: 32k, O1p: 5 ppm, D1: 3 s, ns: 16.

exp. time: 2 mins

Provides chemical shift and JH-X couplings information for structure determination.

Adjustable parameters: NS (number of scans)

 

1d_1H_20ppm

pulse prog.: zg30

1H observe with 30o pulse

SW: 20 ppm, TD: 65k, O1p: 5 ppm, d1: 3 s, ns: 16.

exp. time: 2mins

Used to minimize/eliminate the intense water signal for samples in H2O/D2O solvent.

Adjustable parameters: TD0 (number of cycle)

 

1d_1H_PRESAT

pulse prog.: zgpr

1H observe with water suppression

SW: 12 ppm, TD: 65k, O1p: 4.7ppm, d1: 2s, ns: 16

exp. time: 2 mins

Used to minimize/eliminate the intense water signal for samples in H2O/D2O solvent.

Adjustable parameters: NS (number of scans)

 

1d_DOSY

pulse prog:stegp1s1d

1H observe diffusion measurement using stimulated echo

SW: 12 ppm, TD: 16k, O1p: 5 ppm, D1: 3 s, ns: 8.

exp. time: 1 mins

1D diffusion experiment used for set-up of 2d_DOSY.

Adjustable parameters: D20 (big delta), p30 (little delta), GPZ6 (gradient strength % - start at 2, compare with 95)

 

1d_HOMODEC

pulse prog.: zg0hd

1H observe with homodecoupling

TD1: 32k, sw: 12 ppm, O1p: 5 ppm, d1: 3 s, ns: 16

expt: 2 mins

Used for decoupling protons from protons.

You will need to first run a regular 1H spectrum to measure position of the signal to irradiate.

Adjustable parameter: O2p (position of the irradiated proton).

 

1d_MULTIPRESAT

pulse prog.: lc1pnps

1H observe with multiple solvent suppression

TD1: 32k, sw: 20 ppm, O1p: 5 ppm, d1: 3 s, ns: 16

expt: 10 mins.

Use shape pulse for off-resonance presaturation of multiple peaks.

Use “xau lcsetup” in command line to setup experiment.

Use “xau au_lc1d” in command line to start experiment.

1H

2d_COSY

pulse prog.: cosygpqf

2D homonuclear shift correlation using gradient pulse for selection

TD2: 2048, TD1: 256, d1: 1.5 s, ns: 1

expt: 8 mins

Used for correlating protons over 2- or more bonds.

Adjustable parameters: NS (number of scans)

 

2d_DOSY

pulse prog.: stegp1s

2D diffusion experiment

SW: 12 ppm, TD: 16k, O1p: 5 ppm, d1: 3s, ns: 8

expt: variable

Used to measure diffusion coefficient or to separate compounds of different size.

Must use 1d_DOSY to setup experiment (optimize big delta, small delta).

Experiment starts with DOSY in command line.

Adjustable parameters: D20 (big delta), p30 (little delta), NS (number of scans), RG (gain)

 

2d_HSQC

pulse prog.: hsqcetgpsi

2D 1H-13C correlation via double inept transfer using trim pulses in inept transfer, decoupling during acquisition, phase sensitive using Echo/Antiecho-TPPI gradient selection.

TD2: 2k, TD1: 256, d1: 1.5, ns:2, sw2: 20ppm, sw1: 300ppm.

expt: 14 min

Correlates 1H and 13C connected by C-H coupling over 1 bond.

Adjustable parameters: NS (number of scans)

 

2d_NOESY

pulse prog.: noesygpph

2D homonuclear correlation via dipolar coupling, using gradient pulse in mixing time, phase sensitive (States-TPPI)

TD2: 2K, TD1: 256, d1: 1.5s, d8: 800 ms , ns: 2, sw: 12ppm

expt: 21 mins.

Establishing NOEs. Dipolar coupling may be due to NOE or chemical exchange. Suitable for small (Mr<1000) and large (Mr>2000) molecules (positive and negative NOE, respectively).

Adjustable parameters: NS (number of scans), d8: mixing time (value about T1)

 

2d_T1_inv_reco

pulse prog.:t1ir

1H observe T1 measurement using inversion recovery

SW: 12ppm TD: 16k, O1p: 5 ppm, d1: 10s, ns: 8

expt: 22 min

Pseudo-2D used to measure T1.

Adjustable parameters: NS (number of scans), VDLIST (variable delay list)

 

2d_T2

pulse prog.: cpmg_vd

1H observe T2 measurement using Carr-Purcell_meiboom-Gill sequence .

SW: 12ppm TD: 16k, O1p: 5 ppm, d1: 10s, ns: 8

expt: 20 min

Pseudo-2D used to measure T1.

Adjustable parameters: NS (number of scans), VDLIST (variable delay list)

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