######################### # 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 bmse011088 _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 bmse011088 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 bmse011088 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011088 1 2 bmse011088 1 3 bmse011088 1 4 bmse011088 1 5 bmse011088 1 6 bmse011088 1 7 bmse011088 1 8 bmse011088 1 9 bmse011088 1 10 bmse011088 1 11 bmse011088 1 12 bmse011088 1 13 bmse011088 1 14 bmse011088 1 16 bmse011088 1 17 bmse011088 1 18 bmse011088 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 1.0926 t_9H bmse011088 1 2 1 1.3182 m_12H bmse011088 1 3 1 3.3524 s_3H bmse011088 1 4 1 6.4765 s_1H bmse011088 1 5 1 7.8242 s_3H bmse011088 1 6 1 2.4854 Imp1 bmse011088 1 7 1 2.7197 Imp2 bmse011088 1 8 1 8.3611 s_1H bmse011088 1 9 1 3.5682 q_6H_Q1 bmse011088 1 10 1 2.2446 s_3H bmse011088 1 11 1 2.6032 DMSO bmse011088 1 12 1 3.2697 s_9H bmse011088 1 13 1 7.0289 s_3H bmse011088 1 14 1 6.9246 dd_6H bmse011088 1 15 1 7.7717 m_2H bmse011088 1 16 1 7.3848 s_2H bmse011088 1 17 1 2.3590 s_6H bmse011088 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 7.0975 bmse011088 1 2 2 1 3.8239 bmse011088 1 3 3 1 0.0000 bmse011088 1 4 4 1 0.0000 bmse011088 1 5 5 1 0.0000 bmse011088 1 6 6 1 0.0000 bmse011088 1 7 7 1 0.0000 bmse011088 1 8 8 1 0.0000 bmse011088 1 9 9 1 7.1159 bmse011088 1 10 10 1 0.0000 bmse011088 1 11 11 1 1.9532 bmse011088 1 12 12 1 0.0000 bmse011088 1 13 13 1 0.0000 bmse011088 1 14 14 1 13.9200 bmse011088 1 15 14 1 8.7481 bmse011088 1 16 15 1 8.6931 bmse011088 1 17 16 1 0.0000 bmse011088 1 18 17 1 0.0000 bmse011088 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011088 1 2 bmse011088 1 3 bmse011088 1 4 bmse011088 1 5 bmse011088 1 6 bmse011088 1 7 bmse011088 1 8 bmse011088 1 9 bmse011088 1 10 bmse011088 1 11 bmse011088 1 12 bmse011088 1 13 bmse011088 1 14 bmse011088 1 15 bmse011088 1 16 bmse011088 1 17 bmse011088 1 18 bmse011088 1 19 bmse011088 1 20 bmse011088 1 21 bmse011088 1 22 bmse011088 1 23 bmse011088 1 24 bmse011088 1 25 bmse011088 1 26 bmse011088 1 27 bmse011088 1 28 bmse011088 1 29 bmse011088 1 30 bmse011088 1 31 bmse011088 1 32 bmse011088 1 33 bmse011088 1 34 bmse011088 1 35 bmse011088 1 36 bmse011088 1 37 bmse011088 1 38 bmse011088 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 1.0807 bmse011088 1 2 1 1.0927 bmse011088 1 3 1 1.1044 bmse011088 1 4 1 1.3437 bmse011088 1 5 1 1.3316 bmse011088 1 6 1 1.3237 bmse011088 1 7 1 1.3193 bmse011088 1 8 1 1.3162 bmse011088 1 9 1 1.3119 bmse011088 1 10 1 1.3046 bmse011088 1 11 1 1.3002 bmse011088 1 12 1 1.2927 bmse011088 1 13 1 3.3524 bmse011088 1 14 1 6.4765 bmse011088 1 15 1 7.8242 bmse011088 1 16 1 2.4854 bmse011088 1 17 1 2.7197 bmse011088 1 18 1 8.3611 bmse011088 1 19 1 3.5504 bmse011088 1 20 1 3.5622 bmse011088 1 21 1 3.5739 bmse011088 1 22 1 3.5860 bmse011088 1 23 1 2.2446 bmse011088 1 24 1 2.5967 bmse011088 1 25 1 2.6001 bmse011088 1 26 1 2.6031 bmse011088 1 27 1 2.6058 bmse011088 1 28 1 2.6097 bmse011088 1 29 1 3.2697 bmse011088 1 30 1 7.0289 bmse011088 1 31 1 6.9435 bmse011088 1 32 1 6.9288 bmse011088 1 33 1 6.9202 bmse011088 1 34 1 6.9057 bmse011088 1 35 1 7.7645 bmse011088 1 36 1 7.7790 bmse011088 1 37 1 7.3848 bmse011088 1 38 1 2.3590 bmse011088 1 stop_ save_