######################### # 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 bmse011061 _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 bmse011061 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 bmse011061 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011061 1 2 bmse011061 1 3 bmse011061 1 4 bmse011061 1 5 bmse011061 1 6 bmse011061 1 7 bmse011061 1 8 bmse011061 1 9 bmse011061 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 4.6500 SUP bmse011061 1 2 1 3.2987 m_3H bmse011061 1 3 1 3.0144 m_4H_Q1 bmse011061 1 4 1 7.3406 m_3H bmse011061 1 5 1 2.0558 d_2H bmse011061 1 6 1 3.5915 s_1H bmse011061 1 7 1 2.6028 DMSO bmse011061 1 8 1 7.2716 m_4H bmse011061 1 9 1 1.8367 m_2H bmse011061 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 bmse011061 1 2 2 1 11.5908 bmse011061 1 3 3 1 5.4653 bmse011061 1 4 4 1 7.5927 bmse011061 1 5 5 1 13.6449 bmse011061 1 6 6 1 0.0000 bmse011061 1 7 7 1 1.9532 bmse011061 1 8 8 1 6.9325 bmse011061 1 9 9 1 8.9499 bmse011061 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011061 1 2 bmse011061 1 3 bmse011061 1 4 bmse011061 1 5 bmse011061 1 6 bmse011061 1 7 bmse011061 1 8 bmse011061 1 9 bmse011061 1 10 bmse011061 1 11 bmse011061 1 12 bmse011061 1 13 bmse011061 1 14 bmse011061 1 15 bmse011061 1 16 bmse011061 1 17 bmse011061 1 18 bmse011061 1 19 bmse011061 1 20 bmse011061 1 21 bmse011061 1 22 bmse011061 1 23 bmse011061 1 24 bmse011061 1 25 bmse011061 1 26 bmse011061 1 27 bmse011061 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 4.6500 bmse011061 1 2 1 3.3277 bmse011061 1 3 1 3.3148 bmse011061 1 4 1 3.3007 bmse011061 1 5 1 3.2697 bmse011061 1 6 1 3.0281 bmse011061 1 7 1 3.0184 bmse011061 1 8 1 3.0138 bmse011061 1 9 1 3.0008 bmse011061 1 10 1 7.3532 bmse011061 1 11 1 7.3398 bmse011061 1 12 1 7.3279 bmse011061 1 13 1 2.0444 bmse011061 1 14 1 2.0672 bmse011061 1 15 1 3.5915 bmse011061 1 16 1 2.5963 bmse011061 1 17 1 2.5998 bmse011061 1 18 1 2.6029 bmse011061 1 19 1 2.6058 bmse011061 1 20 1 2.6093 bmse011061 1 21 1 7.2832 bmse011061 1 22 1 7.2731 bmse011061 1 23 1 7.2601 bmse011061 1 24 1 1.8591 bmse011061 1 25 1 1.8384 bmse011061 1 26 1 1.8240 bmse011061 1 27 1 1.8143 bmse011061 1 stop_ save_