######################### # 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 bmse011306 _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 bmse011306 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 bmse011306 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011306 1 2 bmse011306 1 3 bmse011306 1 4 bmse011306 1 5 bmse011306 1 6 bmse011306 1 7 bmse011306 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 1.1414 m_3H bmse011306 1 2 1 0.9700 m_2H bmse011306 1 3 1 2.2641 d_2H_Q1 bmse011306 1 4 1 8.5026 s_1H bmse011306 1 5 1 2.6027 DMSO bmse011306 1 6 1 1.5607 m_1H bmse011306 1 7 1 1.6395 m_6H bmse011306 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 4.4016 bmse011306 1 2 2 1 4.0715 bmse011306 1 3 3 1 7.2626 bmse011306 1 4 4 1 0.0000 bmse011306 1 5 5 1 1.9257 bmse011306 1 6 6 1 3.9339 bmse011306 1 7 7 1 7.7303 bmse011306 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011306 1 2 bmse011306 1 3 bmse011306 1 4 bmse011306 1 5 bmse011306 1 6 bmse011306 1 7 bmse011306 1 8 bmse011306 1 9 bmse011306 1 10 bmse011306 1 11 bmse011306 1 12 bmse011306 1 13 bmse011306 1 14 bmse011306 1 15 bmse011306 1 16 bmse011306 1 17 bmse011306 1 18 bmse011306 1 19 bmse011306 1 20 bmse011306 1 21 bmse011306 1 22 bmse011306 1 23 bmse011306 1 24 bmse011306 1 25 bmse011306 1 26 bmse011306 1 27 bmse011306 1 28 bmse011306 1 29 bmse011306 1 30 bmse011306 1 31 bmse011306 1 32 bmse011306 1 33 bmse011306 1 34 bmse011306 1 35 bmse011306 1 36 bmse011306 1 37 bmse011306 1 38 bmse011306 1 39 bmse011306 1 40 bmse011306 1 41 bmse011306 1 42 bmse011306 1 43 bmse011306 1 44 bmse011306 1 45 bmse011306 1 46 bmse011306 1 47 bmse011306 1 48 bmse011306 1 49 bmse011306 1 50 bmse011306 1 51 bmse011306 1 52 bmse011306 1 53 bmse011306 1 54 bmse011306 1 55 bmse011306 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 1.2331 bmse011306 1 2 1 1.2261 bmse011306 1 3 1 1.2192 bmse011306 1 4 1 1.2045 bmse011306 1 5 1 1.1994 bmse011306 1 6 1 1.1990 bmse011306 1 7 1 1.1895 bmse011306 1 8 1 1.1887 bmse011306 1 9 1 1.1834 bmse011306 1 10 1 1.1779 bmse011306 1 11 1 1.1675 bmse011306 1 12 1 1.1622 bmse011306 1 13 1 1.1567 bmse011306 1 14 1 1.1237 bmse011306 1 15 1 1.1182 bmse011306 1 16 1 1.1125 bmse011306 1 17 1 1.1026 bmse011306 1 18 1 1.0971 bmse011306 1 19 1 1.0916 bmse011306 1 20 1 1.0912 bmse011306 1 21 1 1.0875 bmse011306 1 22 1 1.0767 bmse011306 1 23 1 1.0710 bmse011306 1 24 1 1.0703 bmse011306 1 25 1 1.0551 bmse011306 1 26 1 1.0498 bmse011306 1 27 1 1.0039 bmse011306 1 28 1 0.9986 bmse011306 1 29 1 0.9845 bmse011306 1 30 1 0.9836 bmse011306 1 31 1 0.9788 bmse011306 1 32 1 0.9643 bmse011306 1 33 1 0.9634 bmse011306 1 34 1 0.9592 bmse011306 1 35 1 0.9438 bmse011306 1 36 1 0.9368 bmse011306 1 37 1 0.9361 bmse011306 1 38 1 2.2580 bmse011306 1 39 1 2.2701 bmse011306 1 40 1 8.5026 bmse011306 1 41 1 2.5963 bmse011306 1 42 1 2.5998 bmse011306 1 43 1 2.6027 bmse011306 1 44 1 2.6058 bmse011306 1 45 1 2.6091 bmse011306 1 46 1 1.5738 bmse011306 1 47 1 1.5705 bmse011306 1 48 1 1.5688 bmse011306 1 49 1 1.5530 bmse011306 1 50 1 1.5475 bmse011306 1 51 1 1.6653 bmse011306 1 52 1 1.6423 bmse011306 1 53 1 1.6249 bmse011306 1 54 1 1.6192 bmse011306 1 55 1 1.6137 bmse011306 1 stop_ save_