######################### # 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 bmse011071 _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 bmse011071 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 bmse011071 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011071 1 2 bmse011071 1 3 bmse011071 1 4 bmse011071 1 5 bmse011071 1 6 bmse011071 1 7 bmse011071 1 8 bmse011071 1 9 bmse011071 1 10 bmse011071 1 11 bmse011071 1 12 bmse011071 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 8.7666 d_4H bmse011071 1 2 1 7.4961 m_4H bmse011071 1 3 1 6.9895 m_4H_Q1 bmse011071 1 4 1 3.2697 s_2H bmse011071 1 5 1 9.2098 m_3H bmse011071 1 6 1 2.6031 DMSO bmse011071 1 7 1 2.4850 Imp1 bmse011071 1 8 1 1.0907 m_3H bmse011071 1 9 1 2.7201 Imp2 bmse011071 1 10 1 7.3945 m_9H bmse011071 1 11 1 8.7256 m_4H bmse011071 1 12 1 3.5681 q_1H bmse011071 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 2.5309 bmse011071 1 2 2 1 2.9931 bmse011071 1 3 3 1 2.5309 bmse011071 1 4 4 1 0.0000 bmse011071 1 5 5 1 1.3205 bmse011071 1 6 6 1 1.8707 bmse011071 1 7 7 1 0.0000 bmse011071 1 8 8 1 4.0990 bmse011071 1 9 9 1 0.0000 bmse011071 1 10 10 1 4.6492 bmse011071 1 11 11 1 1.9807 bmse011071 1 12 12 1 7.0792 bmse011071 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011071 1 2 bmse011071 1 3 bmse011071 1 4 bmse011071 1 5 bmse011071 1 6 bmse011071 1 7 bmse011071 1 8 bmse011071 1 9 bmse011071 1 10 bmse011071 1 11 bmse011071 1 12 bmse011071 1 13 bmse011071 1 14 bmse011071 1 15 bmse011071 1 16 bmse011071 1 17 bmse011071 1 18 bmse011071 1 19 bmse011071 1 20 bmse011071 1 21 bmse011071 1 22 bmse011071 1 23 bmse011071 1 24 bmse011071 1 25 bmse011071 1 26 bmse011071 1 27 bmse011071 1 28 bmse011071 1 29 bmse011071 1 30 bmse011071 1 31 bmse011071 1 32 bmse011071 1 33 bmse011071 1 34 bmse011071 1 35 bmse011071 1 36 bmse011071 1 37 bmse011071 1 38 bmse011071 1 39 bmse011071 1 40 bmse011071 1 41 bmse011071 1 42 bmse011071 1 43 bmse011071 1 44 bmse011071 1 45 bmse011071 1 46 bmse011071 1 47 bmse011071 1 48 bmse011071 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 8.7645 bmse011071 1 2 1 8.7687 bmse011071 1 3 1 7.5085 bmse011071 1 4 1 7.5052 bmse011071 1 5 1 7.5017 bmse011071 1 6 1 7.4906 bmse011071 1 7 1 7.4873 bmse011071 1 8 1 7.4836 bmse011071 1 9 1 7.0063 bmse011071 1 10 1 7.0051 bmse011071 1 11 1 7.0021 bmse011071 1 12 1 6.9917 bmse011071 1 13 1 6.9880 bmse011071 1 14 1 6.9787 bmse011071 1 15 1 6.9765 bmse011071 1 16 1 6.9744 bmse011071 1 17 1 6.9726 bmse011071 1 18 1 3.2697 bmse011071 1 19 1 9.2109 bmse011071 1 20 1 9.2087 bmse011071 1 21 1 2.5968 bmse011071 1 22 1 2.5998 bmse011071 1 23 1 2.6029 bmse011071 1 24 1 2.6060 bmse011071 1 25 1 2.6093 bmse011071 1 26 1 2.4850 bmse011071 1 27 1 1.1044 bmse011071 1 28 1 1.0925 bmse011071 1 29 1 1.0873 bmse011071 1 30 1 1.0807 bmse011071 1 31 1 1.0771 bmse011071 1 32 1 2.7201 bmse011071 1 33 1 7.4255 bmse011071 1 34 1 7.4119 bmse011071 1 35 1 7.4013 bmse011071 1 36 1 7.3983 bmse011071 1 37 1 7.3879 bmse011071 1 38 1 7.3798 bmse011071 1 39 1 7.3774 bmse011071 1 40 1 7.3657 bmse011071 1 41 1 7.3635 bmse011071 1 42 1 8.7289 bmse011071 1 43 1 8.7263 bmse011071 1 44 1 8.7223 bmse011071 1 45 1 3.5504 bmse011071 1 46 1 3.5623 bmse011071 1 47 1 3.5741 bmse011071 1 48 1 3.5858 bmse011071 1 stop_ save_