######################### # 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 bmse011020 _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 bmse011020 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 bmse011020 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011020 1 2 bmse011020 1 3 bmse011020 1 4 bmse011020 1 5 bmse011020 1 6 bmse011020 1 7 bmse011020 1 8 bmse011020 1 9 bmse011020 1 10 bmse011020 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 7.2793 m_6H bmse011020 1 2 1 2.4852 Imp1 bmse011020 1 3 1 3.4232 s_1H bmse011020 1 4 1 7.3527 m_4H bmse011020 1 5 1 1.2575 m_3H_Q1 bmse011020 1 6 1 8.5845 m_4H bmse011020 1 7 1 7.1657 m_1H bmse011020 1 8 1 7.2298 t_2H bmse011020 1 9 1 2.6029 DMSO bmse011020 1 10 1 3.8024 s_6H bmse011020 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 4.2365 bmse011020 1 2 2 1 0.0000 bmse011020 1 3 3 1 0.0000 bmse011020 1 4 4 1 2.7877 bmse011020 1 5 5 1 3.3012 bmse011020 1 6 6 1 4.9518 bmse011020 1 7 7 1 8.3630 bmse011020 1 8 8 1 4.9518 bmse011020 1 9 9 1 1.8707 bmse011020 1 10 10 1 0.0000 bmse011020 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011020 1 2 bmse011020 1 3 bmse011020 1 4 bmse011020 1 5 bmse011020 1 6 bmse011020 1 7 bmse011020 1 8 bmse011020 1 9 bmse011020 1 10 bmse011020 1 11 bmse011020 1 12 bmse011020 1 13 bmse011020 1 14 bmse011020 1 15 bmse011020 1 16 bmse011020 1 17 bmse011020 1 18 bmse011020 1 19 bmse011020 1 20 bmse011020 1 21 bmse011020 1 22 bmse011020 1 23 bmse011020 1 24 bmse011020 1 25 bmse011020 1 26 bmse011020 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 7.2863 bmse011020 1 2 1 7.2749 bmse011020 1 3 1 7.2722 bmse011020 1 4 1 2.4852 bmse011020 1 5 1 3.4232 bmse011020 1 6 1 7.3596 bmse011020 1 7 1 7.3565 bmse011020 1 8 1 7.3488 bmse011020 1 9 1 7.3457 bmse011020 1 10 1 1.2657 bmse011020 1 11 1 1.2602 bmse011020 1 12 1 1.2533 bmse011020 1 13 1 1.2492 bmse011020 1 14 1 8.5886 bmse011020 1 15 1 8.5804 bmse011020 1 16 1 7.1726 bmse011020 1 17 1 7.1587 bmse011020 1 18 1 7.2216 bmse011020 1 19 1 7.2298 bmse011020 1 20 1 7.2381 bmse011020 1 21 1 2.5967 bmse011020 1 22 1 2.5998 bmse011020 1 23 1 2.6029 bmse011020 1 24 1 2.6060 bmse011020 1 25 1 2.6091 bmse011020 1 26 1 3.8024 bmse011020 1 stop_ save_