######################### # 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 bmse011286 _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 bmse011286 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 bmse011286 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011286 1 2 bmse011286 1 3 bmse011286 1 4 bmse011286 1 5 bmse011286 1 6 bmse011286 1 7 bmse011286 1 8 bmse011286 1 10 bmse011286 1 11 bmse011286 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 7.2429 10,11_m bmse011286 1 2 1 2.0550 8,9_m_Q1 bmse011286 1 3 1 3.5837 6_m bmse011286 1 4 1 2.4192 9_m_Q2 bmse011286 1 5 1 7.3629 15_t bmse011286 1 6 1 2.6031 DMSO bmse011286 1 7 1 4.6500 SUP bmse011286 1 8 1 7.4427 13,14_dd bmse011286 1 9 1 2.7219 12_s bmse011286 1 10 1 3.7435 5_m_Q3 bmse011286 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 4.2365 bmse011286 1 2 2 1 165.2805 bmse011286 1 3 3 1 2.8532 bmse011286 1 4 4 1 2.4409 bmse011286 1 5 5 1 7.4277 bmse011286 1 6 6 1 1.8156 bmse011286 1 7 7 1 0.0000 bmse011286 1 8 8 1 7.7028 bmse011286 1 9 8 1 7.7028 bmse011286 1 10 9 1 0.0000 bmse011286 1 11 10 1 5.6340 bmse011286 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011286 1 2 bmse011286 1 3 bmse011286 1 4 bmse011286 1 5 bmse011286 1 6 bmse011286 1 7 bmse011286 1 8 bmse011286 1 9 bmse011286 1 10 bmse011286 1 11 bmse011286 1 12 bmse011286 1 13 bmse011286 1 14 bmse011286 1 15 bmse011286 1 16 bmse011286 1 17 bmse011286 1 18 bmse011286 1 19 bmse011286 1 20 bmse011286 1 21 bmse011286 1 22 bmse011286 1 23 bmse011286 1 24 bmse011286 1 25 bmse011286 1 26 bmse011286 1 27 bmse011286 1 28 bmse011286 1 29 bmse011286 1 30 bmse011286 1 31 bmse011286 1 32 bmse011286 1 33 bmse011286 1 34 bmse011286 1 35 bmse011286 1 36 bmse011286 1 37 bmse011286 1 38 bmse011286 1 39 bmse011286 1 40 bmse011286 1 41 bmse011286 1 42 bmse011286 1 43 bmse011286 1 44 bmse011286 1 45 bmse011286 1 46 bmse011286 1 47 bmse011286 1 48 bmse011286 1 49 bmse011286 1 50 bmse011286 1 51 bmse011286 1 52 bmse011286 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 7.2500 bmse011286 1 2 1 7.2482 bmse011286 1 3 1 7.2359 bmse011286 1 4 1 2.1927 bmse011286 1 5 1 1.9173 bmse011286 1 6 1 3.6170 bmse011286 1 7 1 3.6137 bmse011286 1 8 1 3.6122 bmse011286 1 9 1 3.6093 bmse011286 1 10 1 3.6045 bmse011286 1 11 1 3.6042 bmse011286 1 12 1 3.5981 bmse011286 1 13 1 3.5976 bmse011286 1 14 1 3.5926 bmse011286 1 15 1 3.5913 bmse011286 1 16 1 3.5867 bmse011286 1 17 1 3.5833 bmse011286 1 18 1 3.5741 bmse011286 1 19 1 3.5623 bmse011286 1 20 1 3.5504 bmse011286 1 21 1 2.4415 bmse011286 1 22 1 2.4392 bmse011286 1 23 1 2.4346 bmse011286 1 24 1 2.4326 bmse011286 1 25 1 2.4293 bmse011286 1 26 1 2.4263 bmse011286 1 27 1 2.4247 bmse011286 1 28 1 2.4162 bmse011286 1 29 1 2.4122 bmse011286 1 30 1 2.4043 bmse011286 1 31 1 2.3977 bmse011286 1 32 1 2.3968 bmse011286 1 33 1 7.3505 bmse011286 1 34 1 7.3628 bmse011286 1 35 1 7.3752 bmse011286 1 36 1 2.5970 bmse011286 1 37 1 2.6000 bmse011286 1 38 1 2.6031 bmse011286 1 39 1 2.6062 bmse011286 1 40 1 2.6091 bmse011286 1 41 1 4.6500 bmse011286 1 42 1 7.4555 bmse011286 1 43 1 7.4429 bmse011286 1 44 1 7.4429 bmse011286 1 45 1 7.4299 bmse011286 1 46 1 2.7219 bmse011286 1 47 1 3.7670 bmse011286 1 48 1 3.7589 bmse011286 1 49 1 3.7464 bmse011286 1 50 1 3.7384 bmse011286 1 51 1 3.7285 bmse011286 1 52 1 3.7200 bmse011286 1 stop_ save_