######################### # 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 bmse011057 _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 bmse011057 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 bmse011057 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011057 1 2 bmse011057 1 3 bmse011057 1 4 bmse011057 1 5 bmse011057 1 6 bmse011057 1 7 bmse011057 1 9 bmse011057 1 10 bmse011057 1 11 bmse011057 1 12 bmse011057 1 13 bmse011057 1 14 bmse011057 1 15 bmse011057 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 6.9321 d_2H bmse011057 1 2 1 3.2695 s_2H_Q1 bmse011057 1 3 1 7.0959 m_6H bmse011057 1 4 1 4.2652 d_1H bmse011057 1 5 1 2.7162 Imp2 bmse011057 1 6 1 3.5680 q_2H bmse011057 1 7 1 7.2870 dd_2H bmse011057 1 8 1 3.7721 s_6H bmse011057 1 9 1 7.1361 m_6H bmse011057 1 10 1 2.4856 Imp1 bmse011057 1 11 1 2.6031 DMSO bmse011057 1 12 1 2.2270 m_9H bmse011057 1 13 1 6.9620 m_2H bmse011057 1 14 1 1.0926 m_3H bmse011057 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 3.7413 bmse011057 1 2 2 1 0.0000 bmse011057 1 3 3 1 8.0329 bmse011057 1 4 4 1 5.8321 bmse011057 1 5 5 1 0.0000 bmse011057 1 6 6 1 7.1159 bmse011057 1 7 7 1 5.1168 bmse011057 1 8 7 1 1.0454 bmse011057 1 9 8 1 0.0000 bmse011057 1 10 9 1 8.0329 bmse011057 1 11 10 1 0.0000 bmse011057 1 12 11 1 1.8707 bmse011057 1 13 12 1 0.0000 bmse011057 1 14 13 1 2.8610 bmse011057 1 15 14 1 7.0975 bmse011057 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011057 1 2 bmse011057 1 3 bmse011057 1 4 bmse011057 1 5 bmse011057 1 6 bmse011057 1 7 bmse011057 1 8 bmse011057 1 9 bmse011057 1 10 bmse011057 1 11 bmse011057 1 12 bmse011057 1 13 bmse011057 1 14 bmse011057 1 15 bmse011057 1 16 bmse011057 1 17 bmse011057 1 18 bmse011057 1 19 bmse011057 1 20 bmse011057 1 21 bmse011057 1 22 bmse011057 1 23 bmse011057 1 24 bmse011057 1 25 bmse011057 1 26 bmse011057 1 27 bmse011057 1 28 bmse011057 1 29 bmse011057 1 30 bmse011057 1 31 bmse011057 1 32 bmse011057 1 33 bmse011057 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 6.9290 bmse011057 1 2 1 6.9352 bmse011057 1 3 1 3.2695 bmse011057 1 4 1 7.0892 bmse011057 1 5 1 7.1026 bmse011057 1 6 1 4.2604 bmse011057 1 7 1 4.2701 bmse011057 1 8 1 2.7162 bmse011057 1 9 1 3.5502 bmse011057 1 10 1 3.5622 bmse011057 1 11 1 3.5739 bmse011057 1 12 1 3.5858 bmse011057 1 13 1 7.2922 bmse011057 1 14 1 7.2907 bmse011057 1 15 1 7.2839 bmse011057 1 16 1 7.2819 bmse011057 1 17 1 3.7721 bmse011057 1 18 1 7.1294 bmse011057 1 19 1 7.1427 bmse011057 1 20 1 2.4856 bmse011057 1 21 1 2.5968 bmse011057 1 22 1 2.5998 bmse011057 1 23 1 2.6029 bmse011057 1 24 1 2.6058 bmse011057 1 25 1 2.6093 bmse011057 1 26 1 2.2270 bmse011057 1 27 1 6.9691 bmse011057 1 28 1 6.9634 bmse011057 1 29 1 6.9607 bmse011057 1 30 1 6.9548 bmse011057 1 31 1 1.1044 bmse011057 1 32 1 1.0927 bmse011057 1 33 1 1.0807 bmse011057 1 stop_ save_