######################### # 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 bmse011433 _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 bmse011433 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 bmse011433 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011433 1 2 bmse011433 1 3 bmse011433 1 4 bmse011433 1 5 bmse011433 1 6 bmse011433 1 7 bmse011433 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 7.4431 13,14_d bmse011433 1 2 1 2.6031 DMSO bmse011433 1 3 1 7.3392 17_m_Q2 bmse011433 1 4 1 7.7683 4,5_m_Q3 bmse011433 1 5 1 7.3858 15,16_m bmse011433 1 6 1 7.0052 10,11_m_Q1 bmse011433 1 7 1 4.6500 SUP bmse011433 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 7.2626 bmse011433 1 2 2 1 1.8707 bmse011433 1 3 3 1 3.6038 bmse011433 1 4 4 1 2.9491 bmse011433 1 5 5 1 7.4277 bmse011433 1 6 6 1 2.9491 bmse011433 1 7 7 1 0.0000 bmse011433 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011433 1 2 bmse011433 1 3 bmse011433 1 4 bmse011433 1 5 bmse011433 1 6 bmse011433 1 7 bmse011433 1 8 bmse011433 1 9 bmse011433 1 10 bmse011433 1 11 bmse011433 1 12 bmse011433 1 13 bmse011433 1 14 bmse011433 1 15 bmse011433 1 16 bmse011433 1 17 bmse011433 1 18 bmse011433 1 19 bmse011433 1 20 bmse011433 1 21 bmse011433 1 22 bmse011433 1 23 bmse011433 1 24 bmse011433 1 25 bmse011433 1 26 bmse011433 1 27 bmse011433 1 28 bmse011433 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 7.4370 bmse011433 1 2 1 7.4491 bmse011433 1 3 1 2.5968 bmse011433 1 4 1 2.6000 bmse011433 1 5 1 2.6031 bmse011433 1 6 1 2.6062 bmse011433 1 7 1 2.6093 bmse011433 1 8 1 7.3512 bmse011433 1 9 1 7.3430 bmse011433 1 10 1 7.3391 bmse011433 1 11 1 7.3351 bmse011433 1 12 1 7.3272 bmse011433 1 13 1 7.7560 bmse011433 1 14 1 7.7610 bmse011433 1 15 1 7.7643 bmse011433 1 16 1 7.7724 bmse011433 1 17 1 7.7757 bmse011433 1 18 1 7.7806 bmse011433 1 19 1 7.3982 bmse011433 1 20 1 7.3862 bmse011433 1 21 1 7.3734 bmse011433 1 22 1 6.9930 bmse011433 1 23 1 6.9979 bmse011433 1 24 1 7.0012 bmse011433 1 25 1 7.0093 bmse011433 1 26 1 7.0126 bmse011433 1 27 1 7.0175 bmse011433 1 28 1 4.6500 bmse011433 1 stop_ save_