######################### # Spectral peak lists # ######################### save_spectral_peaks_1D_1H _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peaks_1D_1H _Spectral_peak_list.Entry_ID bmse011761 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '1D 1H' _Spectral_peak_list.Number_of_spectral_dimensions 1 _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Details 'F1: 1H' loop_ _Spectral_dim.ID _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 600.1728185 H 1 'Full H' 12.0157698570257 ppm bmse011761 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_topspin bmse011761 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011761 1 2 bmse011761 1 3 bmse011761 1 4 bmse011761 1 5 bmse011761 1 6 bmse011761 1 8 bmse011761 1 9 bmse011761 1 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Details _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 4.1894 s_1H bmse011761 1 2 1 4.6500 SUP bmse011761 1 3 1 7.1866 d_1H bmse011761 1 4 1 7.4812 d_1H bmse011761 1 5 1 2.6029 DMSO bmse011761 1 6 1 7.0504 dd_1H bmse011761 1 7 1 8.5057 d_2H_Q1 bmse011761 1 8 1 7.4180 d_2H bmse011761 1 stop_ loop_ _Peak_coupling.ID _Peak_coupling.Peak_ID _Peak_coupling.Spectral_dim_ID _Peak_coupling.Coupling_val _Peak_coupling.Entry_ID _Peak_coupling.Spectral_peak_list_ID 1 1 1 0.0000 bmse011761 1 2 2 1 0.0000 bmse011761 1 3 3 1 3.3012 bmse011761 1 4 4 1 5.7220 bmse011761 1 5 5 1 1.9807 bmse011761 1 6 6 1 5.1718 bmse011761 1 7 6 1 3.5213 bmse011761 1 8 7 1 6.1622 bmse011761 1 9 8 1 6.0522 bmse011761 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011761 1 2 bmse011761 1 3 bmse011761 1 4 bmse011761 1 5 bmse011761 1 6 bmse011761 1 7 bmse011761 1 8 bmse011761 1 9 bmse011761 1 10 bmse011761 1 11 bmse011761 1 12 bmse011761 1 13 bmse011761 1 14 bmse011761 1 15 bmse011761 1 16 bmse011761 1 17 bmse011761 1 18 bmse011761 1 19 bmse011761 1 stop_ loop_ _Spectral_transition_char.Spectral_transition_ID _Spectral_transition_char.Spectral_dim_ID _Spectral_transition_char.Chem_shift_val _Spectral_transition_char.Entry_ID _Spectral_transition_char.Spectral_peak_list_ID 1 1 4.1894 bmse011761 1 2 1 4.6500 bmse011761 1 3 1 7.1838 bmse011761 1 4 1 7.1893 bmse011761 1 5 1 7.4764 bmse011761 1 6 1 7.4860 bmse011761 1 7 1 2.5963 bmse011761 1 8 1 2.6000 bmse011761 1 9 1 2.6029 bmse011761 1 10 1 2.6058 bmse011761 1 11 1 2.6095 bmse011761 1 12 1 7.0577 bmse011761 1 13 1 7.0518 bmse011761 1 14 1 7.0491 bmse011761 1 15 1 7.0432 bmse011761 1 16 1 8.5006 bmse011761 1 17 1 8.5109 bmse011761 1 18 1 7.4130 bmse011761 1 19 1 7.4231 bmse011761 1 stop_ save_