######################### # 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 bmse011043 _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 bmse011043 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 bmse011043 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011043 1 2 bmse011043 1 3 bmse011043 1 4 bmse011043 1 5 bmse011043 1 6 bmse011043 1 7 bmse011043 1 8 bmse011043 1 10 bmse011043 1 11 bmse011043 1 12 bmse011043 1 13 bmse011043 1 14 bmse011043 1 15 bmse011043 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 2.7169 Imp2 bmse011043 1 2 1 3.6289 m_1H bmse011043 1 3 1 3.1161 q_1H bmse011043 1 4 1 8.6804 d_3H bmse011043 1 5 1 3.2695 s_2H bmse011043 1 6 1 2.6029 DMSO bmse011043 1 7 1 3.5678 q_1H bmse011043 1 8 1 7.5846 dd_2H bmse011043 1 9 1 7.7713 t_6H bmse011043 1 10 1 7.3565 t_2H bmse011043 1 11 1 7.6809 d_3H bmse011043 1 12 1 8.5386 d_1H bmse011043 1 13 1 1.0925 t_2H_Q1 bmse011043 1 14 1 1.2575 m_9H bmse011043 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 0.0000 bmse011043 1 2 2 1 6.8224 bmse011043 1 3 3 1 7.4827 bmse011043 1 4 4 1 5.8321 bmse011043 1 5 5 1 0.0000 bmse011043 1 6 6 1 1.9807 bmse011043 1 7 7 1 7.1159 bmse011043 1 8 8 1 7.8128 bmse011043 1 9 8 1 7.3726 bmse011043 1 10 9 1 5.6120 bmse011043 1 11 10 1 7.5927 bmse011043 1 12 11 1 6.6024 bmse011043 1 13 12 1 5.7220 bmse011043 1 14 13 1 7.1526 bmse011043 1 15 14 1 3.2278 bmse011043 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011043 1 2 bmse011043 1 3 bmse011043 1 4 bmse011043 1 5 bmse011043 1 6 bmse011043 1 7 bmse011043 1 8 bmse011043 1 9 bmse011043 1 10 bmse011043 1 11 bmse011043 1 12 bmse011043 1 13 bmse011043 1 14 bmse011043 1 15 bmse011043 1 16 bmse011043 1 17 bmse011043 1 18 bmse011043 1 19 bmse011043 1 20 bmse011043 1 21 bmse011043 1 22 bmse011043 1 23 bmse011043 1 24 bmse011043 1 25 bmse011043 1 26 bmse011043 1 27 bmse011043 1 28 bmse011043 1 29 bmse011043 1 30 bmse011043 1 31 bmse011043 1 32 bmse011043 1 33 bmse011043 1 34 bmse011043 1 35 bmse011043 1 36 bmse011043 1 37 bmse011043 1 38 bmse011043 1 39 bmse011043 1 40 bmse011043 1 41 bmse011043 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 2.7169 bmse011043 1 2 1 3.6403 bmse011043 1 3 1 3.6287 bmse011043 1 4 1 3.6175 bmse011043 1 5 1 3.0974 bmse011043 1 6 1 3.1097 bmse011043 1 7 1 3.1221 bmse011043 1 8 1 3.1348 bmse011043 1 9 1 8.6755 bmse011043 1 10 1 8.6852 bmse011043 1 11 1 3.2695 bmse011043 1 12 1 2.5963 bmse011043 1 13 1 2.6000 bmse011043 1 14 1 2.6029 bmse011043 1 15 1 2.6056 bmse011043 1 16 1 2.6095 bmse011043 1 17 1 3.5501 bmse011043 1 18 1 3.5620 bmse011043 1 19 1 3.5737 bmse011043 1 20 1 3.5856 bmse011043 1 21 1 7.5973 bmse011043 1 22 1 7.5846 bmse011043 1 23 1 7.5839 bmse011043 1 24 1 7.5720 bmse011043 1 25 1 7.7619 bmse011043 1 26 1 7.7718 bmse011043 1 27 1 7.7806 bmse011043 1 28 1 7.3439 bmse011043 1 29 1 7.3565 bmse011043 1 30 1 7.3692 bmse011043 1 31 1 7.6754 bmse011043 1 32 1 7.6864 bmse011043 1 33 1 8.5338 bmse011043 1 34 1 8.5433 bmse011043 1 35 1 1.0806 bmse011043 1 36 1 1.0925 bmse011043 1 37 1 1.1044 bmse011043 1 38 1 1.2656 bmse011043 1 39 1 1.2604 bmse011043 1 40 1 1.2531 bmse011043 1 41 1 1.2494 bmse011043 1 stop_ save_