######################### # 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 bmse011007 _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 bmse011007 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 bmse011007 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011007 1 2 bmse011007 1 3 bmse011007 1 4 bmse011007 1 5 bmse011007 1 6 bmse011007 1 7 bmse011007 1 8 bmse011007 1 9 bmse011007 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 4.0817 q_1H bmse011007 1 2 1 2.7169 Imp2 bmse011007 1 3 1 7.0069 m_2H bmse011007 1 4 1 7.4991 m_2H bmse011007 1 5 1 3.2699 s_1H bmse011007 1 6 1 1.0928 m_1H_Q1 bmse011007 1 7 1 1.3170 t_3H bmse011007 1 8 1 2.4856 Imp1 bmse011007 1 9 1 2.6032 DMSO bmse011007 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 7.0058 bmse011007 1 2 2 1 0.0000 bmse011007 1 3 3 1 3.1471 bmse011007 1 4 4 1 8.9132 bmse011007 1 5 5 1 0.0000 bmse011007 1 6 6 1 7.0975 bmse011007 1 7 7 1 7.0975 bmse011007 1 8 8 1 0.0000 bmse011007 1 9 9 1 1.9532 bmse011007 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011007 1 2 bmse011007 1 3 bmse011007 1 4 bmse011007 1 5 bmse011007 1 6 bmse011007 1 7 bmse011007 1 8 bmse011007 1 9 bmse011007 1 10 bmse011007 1 11 bmse011007 1 12 bmse011007 1 13 bmse011007 1 14 bmse011007 1 15 bmse011007 1 16 bmse011007 1 17 bmse011007 1 18 bmse011007 1 19 bmse011007 1 20 bmse011007 1 21 bmse011007 1 22 bmse011007 1 23 bmse011007 1 24 bmse011007 1 25 bmse011007 1 26 bmse011007 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 4.0642 bmse011007 1 2 1 4.0761 bmse011007 1 3 1 4.0876 bmse011007 1 4 1 4.0992 bmse011007 1 5 1 2.7169 bmse011007 1 6 1 6.9939 bmse011007 1 7 1 6.9994 bmse011007 1 8 1 7.0030 bmse011007 1 9 1 7.0107 bmse011007 1 10 1 7.0144 bmse011007 1 11 1 7.0201 bmse011007 1 12 1 7.4917 bmse011007 1 13 1 7.5065 bmse011007 1 14 1 3.2699 bmse011007 1 15 1 1.1046 bmse011007 1 16 1 1.0928 bmse011007 1 17 1 1.0809 bmse011007 1 18 1 1.3052 bmse011007 1 19 1 1.3171 bmse011007 1 20 1 1.3288 bmse011007 1 21 1 2.4856 bmse011007 1 22 1 2.5967 bmse011007 1 23 1 2.6003 bmse011007 1 24 1 2.6033 bmse011007 1 25 1 2.6062 bmse011007 1 26 1 2.6097 bmse011007 1 stop_ save_