######################### # 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 bmse011385 _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 bmse011385 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 bmse011385 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011385 1 2 bmse011385 1 3 bmse011385 1 4 bmse011385 1 5 bmse011385 1 7 bmse011385 1 8 bmse011385 1 9 bmse011385 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 3.7635 s_2H bmse011385 1 2 1 4.6500 SUP bmse011385 1 3 1 3.0030 s_2H bmse011385 1 4 1 7.1479 m_2H_Q1 bmse011385 1 5 1 7.4746 dd_1H bmse011385 1 6 1 2.6032 DMSO bmse011385 1 7 1 7.3514 m_1H bmse011385 1 8 1 2.9370 s_1H bmse011385 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 bmse011385 1 2 2 1 0.0000 bmse011385 1 3 3 1 0.0000 bmse011385 1 4 4 1 9.1333 bmse011385 1 5 5 1 8.6931 bmse011385 1 6 5 1 5.3919 bmse011385 1 7 6 1 1.8432 bmse011385 1 8 7 1 2.8170 bmse011385 1 9 8 1 0.0000 bmse011385 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011385 1 2 bmse011385 1 3 bmse011385 1 4 bmse011385 1 5 bmse011385 1 6 bmse011385 1 7 bmse011385 1 8 bmse011385 1 9 bmse011385 1 10 bmse011385 1 11 bmse011385 1 12 bmse011385 1 13 bmse011385 1 14 bmse011385 1 15 bmse011385 1 16 bmse011385 1 17 bmse011385 1 18 bmse011385 1 19 bmse011385 1 20 bmse011385 1 21 bmse011385 1 22 bmse011385 1 23 bmse011385 1 24 bmse011385 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 3.7635 bmse011385 1 2 1 4.6500 bmse011385 1 3 1 3.0030 bmse011385 1 4 1 7.1783 bmse011385 1 5 1 7.1635 bmse011385 1 6 1 7.1470 bmse011385 1 7 1 7.1321 bmse011385 1 8 1 7.1174 bmse011385 1 9 1 7.4863 bmse011385 1 10 1 7.4774 bmse011385 1 11 1 7.4719 bmse011385 1 12 1 7.4629 bmse011385 1 13 1 2.5970 bmse011385 1 14 1 2.6001 bmse011385 1 15 1 2.6033 bmse011385 1 16 1 2.6062 bmse011385 1 17 1 2.6093 bmse011385 1 18 1 7.3631 bmse011385 1 19 1 7.3596 bmse011385 1 20 1 7.3541 bmse011385 1 21 1 7.3486 bmse011385 1 22 1 7.3431 bmse011385 1 23 1 7.3397 bmse011385 1 24 1 2.9370 bmse011385 1 stop_ save_