######################### # 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 bmse011210 _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 bmse011210 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 bmse011210 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011210 1 3 bmse011210 1 4 bmse011210 1 5 bmse011210 1 6 bmse011210 1 7 bmse011210 1 8 bmse011210 1 9 bmse011210 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 6.3449 7_dd_Q3 bmse011210 1 2 1 7.5655 8,10_m bmse011210 1 3 1 3.6522 6,13_m bmse011210 1 4 1 4.6500 SUP bmse011210 1 5 1 1.1256 15_m bmse011210 1 6 1 2.6029 DMSO bmse011210 1 7 1 3.0016 12_m_Q1 bmse011210 1 8 1 3.8981 14_m_Q2 bmse011210 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 2.0357 bmse011210 1 2 1 1 2.0357 bmse011210 1 3 2 1 57.2121 bmse011210 1 4 3 1 189.3768 bmse011210 1 5 4 1 0.0000 bmse011210 1 6 5 1 5.9788 bmse011210 1 7 6 1 1.8156 bmse011210 1 8 7 1 7.9503 bmse011210 1 9 8 1 4.7317 bmse011210 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011210 1 2 bmse011210 1 3 bmse011210 1 4 bmse011210 1 5 bmse011210 1 6 bmse011210 1 7 bmse011210 1 8 bmse011210 1 9 bmse011210 1 10 bmse011210 1 11 bmse011210 1 12 bmse011210 1 13 bmse011210 1 14 bmse011210 1 15 bmse011210 1 16 bmse011210 1 17 bmse011210 1 18 bmse011210 1 19 bmse011210 1 20 bmse011210 1 21 bmse011210 1 22 bmse011210 1 23 bmse011210 1 24 bmse011210 1 25 bmse011210 1 26 bmse011210 1 27 bmse011210 1 28 bmse011210 1 29 bmse011210 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 6.3483 bmse011210 1 2 1 6.3450 bmse011210 1 3 1 6.3450 bmse011210 1 4 1 6.3415 bmse011210 1 5 1 7.6132 bmse011210 1 6 1 7.5178 bmse011210 1 7 1 3.8099 bmse011210 1 8 1 3.4944 bmse011210 1 9 1 4.6500 bmse011210 1 10 1 1.1405 bmse011210 1 11 1 1.1301 bmse011210 1 12 1 1.1213 bmse011210 1 13 1 1.1106 bmse011210 1 14 1 2.5968 bmse011210 1 15 1 2.6000 bmse011210 1 16 1 2.6029 bmse011210 1 17 1 2.6060 bmse011210 1 18 1 2.6089 bmse011210 1 19 1 3.0281 bmse011210 1 20 1 3.0154 bmse011210 1 21 1 2.9978 bmse011210 1 22 1 2.9927 bmse011210 1 23 1 2.9751 bmse011210 1 24 1 3.9179 bmse011210 1 25 1 3.9138 bmse011210 1 26 1 3.9118 bmse011210 1 27 1 3.8981 bmse011210 1 28 1 3.8828 bmse011210 1 29 1 3.8784 bmse011210 1 stop_ save_