######################### # 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 bmse011703 _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 bmse011703 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 bmse011703 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011703 1 2 bmse011703 1 3 bmse011703 1 4 bmse011703 1 5 bmse011703 1 7 bmse011703 1 8 bmse011703 1 9 bmse011703 1 10 bmse011703 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 6.7450 m_1H bmse011703 1 2 1 6.7885 m_2H bmse011703 1 3 1 4.6500 SUP bmse011703 1 4 1 2.0568 d_2H bmse011703 1 5 1 1.9135 dd_1H bmse011703 1 6 1 4.2019 d_1H bmse011703 1 7 1 0.8236 d_6H bmse011703 1 8 1 5.8804 s_2H_Q1 bmse011703 1 9 1 2.6027 DMSO bmse011703 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 8.0329 bmse011703 1 2 2 1 6.0522 bmse011703 1 3 3 1 0.0000 bmse011703 1 4 4 1 7.3726 bmse011703 1 5 5 1 13.6449 bmse011703 1 6 5 1 6.8224 bmse011703 1 7 6 1 5.9421 bmse011703 1 8 7 1 6.7124 bmse011703 1 9 8 1 0.0000 bmse011703 1 10 9 1 0.0000 bmse011703 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011703 1 2 bmse011703 1 3 bmse011703 1 4 bmse011703 1 5 bmse011703 1 6 bmse011703 1 7 bmse011703 1 8 bmse011703 1 9 bmse011703 1 10 bmse011703 1 11 bmse011703 1 12 bmse011703 1 13 bmse011703 1 14 bmse011703 1 15 bmse011703 1 16 bmse011703 1 17 bmse011703 1 18 bmse011703 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 6.7383 bmse011703 1 2 1 6.7517 bmse011703 1 3 1 6.7986 bmse011703 1 4 1 6.7856 bmse011703 1 5 1 6.7784 bmse011703 1 6 1 4.6500 bmse011703 1 7 1 2.0507 bmse011703 1 8 1 2.0629 bmse011703 1 9 1 1.9306 bmse011703 1 10 1 1.9192 bmse011703 1 11 1 1.9078 bmse011703 1 12 1 1.8965 bmse011703 1 13 1 4.1969 bmse011703 1 14 1 4.2068 bmse011703 1 15 1 0.8180 bmse011703 1 16 1 0.8292 bmse011703 1 17 1 5.8804 bmse011703 1 18 1 2.6027 bmse011703 1 stop_ save_