######################### # 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 bmse011717 _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 bmse011717 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 bmse011717 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011717 1 2 bmse011717 1 3 bmse011717 1 4 bmse011717 1 5 bmse011717 1 6 bmse011717 1 7 bmse011717 1 8 bmse011717 1 9 bmse011717 1 10 bmse011717 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 2.7168 Imp2 bmse011717 1 2 1 2.4793 Imp1 bmse011717 1 3 1 2.3868 t_3H bmse011717 1 4 1 6.3522 s_1H_Q1 bmse011717 1 5 1 0.8410 m_3H bmse011717 1 6 1 1.0970 m_6H bmse011717 1 7 1 1.6002 m_9H bmse011717 1 8 1 1.4775 m_3H bmse011717 1 9 1 2.3174 s_4H bmse011717 1 10 1 2.6029 DMSO bmse011717 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 bmse011717 1 2 2 1 0.0000 bmse011717 1 3 3 1 7.6477 bmse011717 1 4 4 1 0.0000 bmse011717 1 5 5 1 5.3039 bmse011717 1 6 6 1 6.1150 bmse011717 1 7 7 1 16.7260 bmse011717 1 8 8 1 7.4093 bmse011717 1 9 9 1 0.0000 bmse011717 1 10 10 1 0.0000 bmse011717 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011717 1 2 bmse011717 1 3 bmse011717 1 4 bmse011717 1 5 bmse011717 1 6 bmse011717 1 7 bmse011717 1 8 bmse011717 1 9 bmse011717 1 10 bmse011717 1 11 bmse011717 1 12 bmse011717 1 13 bmse011717 1 14 bmse011717 1 15 bmse011717 1 16 bmse011717 1 17 bmse011717 1 18 bmse011717 1 19 bmse011717 1 20 bmse011717 1 21 bmse011717 1 22 bmse011717 1 23 bmse011717 1 24 bmse011717 1 25 bmse011717 1 26 bmse011717 1 27 bmse011717 1 28 bmse011717 1 29 bmse011717 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 2.7168 bmse011717 1 2 1 2.4793 bmse011717 1 3 1 2.3741 bmse011717 1 4 1 2.3869 bmse011717 1 5 1 2.3996 bmse011717 1 6 1 6.3522 bmse011717 1 7 1 0.8631 bmse011717 1 8 1 0.8589 bmse011717 1 9 1 0.8415 bmse011717 1 10 1 0.8382 bmse011717 1 11 1 0.8215 bmse011717 1 12 1 0.8189 bmse011717 1 13 1 1.1326 bmse011717 1 14 1 1.1165 bmse011717 1 15 1 1.1128 bmse011717 1 16 1 1.1116 bmse011717 1 17 1 1.1064 bmse011717 1 18 1 1.0921 bmse011717 1 19 1 1.0774 bmse011717 1 20 1 1.0613 bmse011717 1 21 1 1.6280 bmse011717 1 22 1 1.6020 bmse011717 1 23 1 1.5723 bmse011717 1 24 1 1.4960 bmse011717 1 25 1 1.4839 bmse011717 1 26 1 1.4715 bmse011717 1 27 1 1.4590 bmse011717 1 28 1 2.3174 bmse011717 1 29 1 2.6029 bmse011717 1 stop_ save_