######################### # 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 bmse011668 _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 bmse011668 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 bmse011668 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011668 1 2 bmse011668 1 3 bmse011668 1 4 bmse011668 1 5 bmse011668 1 6 bmse011668 1 7 bmse011668 1 8 bmse011668 1 9 bmse011668 1 10 bmse011668 1 11 bmse011668 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 2.6027 DMSO bmse011668 1 2 1 4.6500 SUP bmse011668 1 3 1 3.4687 13_t bmse011668 1 4 1 3.4093 12_t bmse011668 1 5 1 6.9919 9,10_m bmse011668 1 6 1 3.8162 11_d_Q2 bmse011668 1 7 1 1.7842 16_quint bmse011668 1 8 1 0.9201 17,18_d bmse011668 1 9 1 1.9925 14_m_Q1 bmse011668 1 10 1 7.4236 5,6_m_Q3 bmse011668 1 11 1 1.8931 15_quint bmse011668 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 1.8156 bmse011668 1 2 2 1 0.0000 bmse011668 1 3 3 1 7.1526 bmse011668 1 4 4 1 6.7124 bmse011668 1 5 5 1 2.8610 bmse011668 1 6 6 1 6.7124 bmse011668 1 7 7 1 6.7399 bmse011668 1 8 8 1 6.8224 bmse011668 1 9 9 1 6.7491 bmse011668 1 10 10 1 2.8610 bmse011668 1 11 11 1 6.9050 bmse011668 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011668 1 2 bmse011668 1 3 bmse011668 1 4 bmse011668 1 5 bmse011668 1 6 bmse011668 1 7 bmse011668 1 8 bmse011668 1 9 bmse011668 1 10 bmse011668 1 11 bmse011668 1 12 bmse011668 1 13 bmse011668 1 14 bmse011668 1 15 bmse011668 1 16 bmse011668 1 17 bmse011668 1 18 bmse011668 1 19 bmse011668 1 20 bmse011668 1 21 bmse011668 1 22 bmse011668 1 23 bmse011668 1 24 bmse011668 1 25 bmse011668 1 26 bmse011668 1 27 bmse011668 1 28 bmse011668 1 29 bmse011668 1 30 bmse011668 1 31 bmse011668 1 32 bmse011668 1 33 bmse011668 1 34 bmse011668 1 35 bmse011668 1 36 bmse011668 1 37 bmse011668 1 38 bmse011668 1 39 bmse011668 1 40 bmse011668 1 41 bmse011668 1 42 bmse011668 1 43 bmse011668 1 44 bmse011668 1 45 bmse011668 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 2.5967 bmse011668 1 2 1 2.5998 bmse011668 1 3 1 2.6027 bmse011668 1 4 1 2.6058 bmse011668 1 5 1 2.6088 bmse011668 1 6 1 4.6500 bmse011668 1 7 1 3.4567 bmse011668 1 8 1 3.4687 bmse011668 1 9 1 3.4806 bmse011668 1 10 1 3.3981 bmse011668 1 11 1 3.4093 bmse011668 1 12 1 3.4204 bmse011668 1 13 1 6.9799 bmse011668 1 14 1 6.9845 bmse011668 1 15 1 6.9880 bmse011668 1 16 1 6.9957 bmse011668 1 17 1 6.9992 bmse011668 1 18 1 7.0038 bmse011668 1 19 1 3.8106 bmse011668 1 20 1 3.8218 bmse011668 1 21 1 1.7617 bmse011668 1 22 1 1.7731 bmse011668 1 23 1 1.7843 bmse011668 1 24 1 1.7954 bmse011668 1 25 1 1.8066 bmse011668 1 26 1 0.9145 bmse011668 1 27 1 0.9258 bmse011668 1 28 1 2.0263 bmse011668 1 29 1 2.0149 bmse011668 1 30 1 2.0037 bmse011668 1 31 1 1.9925 bmse011668 1 32 1 1.9813 bmse011668 1 33 1 1.9702 bmse011668 1 34 1 1.9588 bmse011668 1 35 1 7.4117 bmse011668 1 36 1 7.4163 bmse011668 1 37 1 7.4200 bmse011668 1 38 1 7.4275 bmse011668 1 39 1 7.4310 bmse011668 1 40 1 7.4356 bmse011668 1 41 1 1.8701 bmse011668 1 42 1 1.8812 bmse011668 1 43 1 1.8932 bmse011668 1 44 1 1.9047 bmse011668 1 45 1 1.9161 bmse011668 1 stop_ save_