######################### # 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 bmse011034 _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 bmse011034 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 bmse011034 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011034 1 2 bmse011034 1 3 bmse011034 1 4 bmse011034 1 5 bmse011034 1 6 bmse011034 1 7 bmse011034 1 8 bmse011034 1 9 bmse011034 1 10 bmse011034 1 11 bmse011034 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 7.2872 m_2H bmse011034 1 2 1 2.2943 s_2H bmse011034 1 3 1 3.1109 q_4H bmse011034 1 4 1 3.2694 s_1H bmse011034 1 5 1 3.7633 m_2H bmse011034 1 6 1 1.1919 t_6H bmse011034 1 7 1 2.7195 Imp2 bmse011034 1 8 1 7.4068 m_1H_Q1 bmse011034 1 9 1 1.0924 m_1H bmse011034 1 10 1 2.6028 DMSO bmse011034 1 11 1 2.4817 Imp1 bmse011034 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 7.7578 bmse011034 1 2 2 1 0.0000 bmse011034 1 3 3 1 7.3726 bmse011034 1 4 4 1 0.0000 bmse011034 1 5 5 1 0.0000 bmse011034 1 6 6 1 7.3726 bmse011034 1 7 7 1 0.0000 bmse011034 1 8 8 1 3.6313 bmse011034 1 9 9 1 7.0975 bmse011034 1 10 10 1 1.9532 bmse011034 1 11 11 1 0.0000 bmse011034 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011034 1 2 bmse011034 1 3 bmse011034 1 4 bmse011034 1 5 bmse011034 1 6 bmse011034 1 7 bmse011034 1 8 bmse011034 1 9 bmse011034 1 10 bmse011034 1 11 bmse011034 1 12 bmse011034 1 13 bmse011034 1 14 bmse011034 1 15 bmse011034 1 16 bmse011034 1 17 bmse011034 1 18 bmse011034 1 19 bmse011034 1 20 bmse011034 1 21 bmse011034 1 22 bmse011034 1 23 bmse011034 1 24 bmse011034 1 25 bmse011034 1 26 bmse011034 1 27 bmse011034 1 28 bmse011034 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 7.3131 bmse011034 1 2 1 7.3013 bmse011034 1 3 1 7.2889 bmse011034 1 4 1 7.2733 bmse011034 1 5 1 7.2614 bmse011034 1 6 1 2.2943 bmse011034 1 7 1 3.0924 bmse011034 1 8 1 3.1047 bmse011034 1 9 1 3.1170 bmse011034 1 10 1 3.1293 bmse011034 1 11 1 3.2694 bmse011034 1 12 1 3.7633 bmse011034 1 13 1 1.1796 bmse011034 1 14 1 1.1919 bmse011034 1 15 1 1.2041 bmse011034 1 16 1 2.7195 bmse011034 1 17 1 7.4128 bmse011034 1 18 1 7.4095 bmse011034 1 19 1 7.4007 bmse011034 1 20 1 1.1042 bmse011034 1 21 1 1.0925 bmse011034 1 22 1 1.0806 bmse011034 1 23 1 2.5963 bmse011034 1 24 1 2.5998 bmse011034 1 25 1 2.6027 bmse011034 1 26 1 2.6056 bmse011034 1 27 1 2.6093 bmse011034 1 28 1 2.4817 bmse011034 1 stop_ save_