######################### # 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 bmse011546 _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 bmse011546 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 bmse011546 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011546 1 2 bmse011546 1 3 bmse011546 1 4 bmse011546 1 5 bmse011546 1 6 bmse011546 1 7 bmse011546 1 8 bmse011546 1 9 bmse011546 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 2.9014 9_m_Q2 bmse011546 1 2 1 3.3033 2,3,8_m bmse011546 1 3 1 3.4212 2,3_d_Q3 bmse011546 1 4 1 4.6500 SUP bmse011546 1 5 1 1.6312 7_m bmse011546 1 6 1 0.8935 10_d bmse011546 1 7 1 2.6029 DMSO bmse011546 1 8 1 1.3764 5,6_m_Q1 bmse011546 1 9 1 1.8456 5,6_m bmse011546 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 5.5900 bmse011546 1 2 2 1 62.5472 bmse011546 1 3 3 1 12.7646 bmse011546 1 4 4 1 0.0000 bmse011546 1 5 5 1 3.6203 bmse011546 1 6 6 1 6.7124 bmse011546 1 7 7 1 1.8156 bmse011546 1 8 8 1 7.1709 bmse011546 1 9 9 1 8.3080 bmse011546 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011546 1 2 bmse011546 1 3 bmse011546 1 4 bmse011546 1 5 bmse011546 1 6 bmse011546 1 7 bmse011546 1 8 bmse011546 1 9 bmse011546 1 10 bmse011546 1 11 bmse011546 1 12 bmse011546 1 13 bmse011546 1 14 bmse011546 1 15 bmse011546 1 16 bmse011546 1 17 bmse011546 1 18 bmse011546 1 19 bmse011546 1 20 bmse011546 1 21 bmse011546 1 22 bmse011546 1 23 bmse011546 1 24 bmse011546 1 25 bmse011546 1 26 bmse011546 1 27 bmse011546 1 28 bmse011546 1 29 bmse011546 1 30 bmse011546 1 31 bmse011546 1 32 bmse011546 1 33 bmse011546 1 34 bmse011546 1 35 bmse011546 1 36 bmse011546 1 37 bmse011546 1 38 bmse011546 1 39 bmse011546 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 2.9247 bmse011546 1 2 1 2.9203 bmse011546 1 3 1 2.9036 bmse011546 1 4 1 2.8990 bmse011546 1 5 1 2.8827 bmse011546 1 6 1 2.8781 bmse011546 1 7 1 3.3554 bmse011546 1 8 1 3.2512 bmse011546 1 9 1 3.4105 bmse011546 1 10 1 3.4318 bmse011546 1 11 1 4.6500 bmse011546 1 12 1 1.6614 bmse011546 1 13 1 1.6543 bmse011546 1 14 1 1.6471 bmse011546 1 15 1 1.6425 bmse011546 1 16 1 1.6356 bmse011546 1 17 1 1.6301 bmse011546 1 18 1 1.6249 bmse011546 1 19 1 1.6185 bmse011546 1 20 1 1.6137 bmse011546 1 21 1 1.6068 bmse011546 1 22 1 1.6011 bmse011546 1 23 1 0.8879 bmse011546 1 24 1 0.8991 bmse011546 1 25 1 2.5968 bmse011546 1 26 1 2.6000 bmse011546 1 27 1 2.6029 bmse011546 1 28 1 2.6060 bmse011546 1 29 1 2.6089 bmse011546 1 30 1 1.4122 bmse011546 1 31 1 1.4060 bmse011546 1 32 1 1.3871 bmse011546 1 33 1 1.3660 bmse011546 1 34 1 1.3615 bmse011546 1 35 1 1.3472 bmse011546 1 36 1 1.3406 bmse011546 1 37 1 1.8594 bmse011546 1 38 1 1.8567 bmse011546 1 39 1 1.8317 bmse011546 1 stop_ save_