######################### # 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 bmse011252 _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 bmse011252 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 bmse011252 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011252 1 2 bmse011252 1 3 bmse011252 1 4 bmse011252 1 5 bmse011252 1 6 bmse011252 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 3.1071 m_6H bmse011252 1 2 1 3.4380 s_2H_Q1 bmse011252 1 3 1 3.2124 m_6H bmse011252 1 4 1 2.6032 DMSO bmse011252 1 5 1 1.1835 t_3H bmse011252 1 6 1 4.1337 m_1H bmse011252 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 3.5213 bmse011252 1 2 2 1 0.0000 bmse011252 1 3 3 1 5.2269 bmse011252 1 4 4 1 1.8432 bmse011252 1 5 5 1 7.2076 bmse011252 1 6 6 1 7.1892 bmse011252 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011252 1 2 bmse011252 1 3 bmse011252 1 4 bmse011252 1 5 bmse011252 1 6 bmse011252 1 7 bmse011252 1 8 bmse011252 1 9 bmse011252 1 10 bmse011252 1 11 bmse011252 1 12 bmse011252 1 13 bmse011252 1 14 bmse011252 1 15 bmse011252 1 16 bmse011252 1 17 bmse011252 1 18 bmse011252 1 19 bmse011252 1 20 bmse011252 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 3.1159 bmse011252 1 2 1 3.1102 bmse011252 1 3 1 3.1062 bmse011252 1 4 1 3.0983 bmse011252 1 5 1 3.4380 bmse011252 1 6 1 3.2211 bmse011252 1 7 1 3.2131 bmse011252 1 8 1 3.2037 bmse011252 1 9 1 2.5970 bmse011252 1 10 1 2.6000 bmse011252 1 11 1 2.6031 bmse011252 1 12 1 2.6062 bmse011252 1 13 1 2.6093 bmse011252 1 14 1 1.1715 bmse011252 1 15 1 1.1836 bmse011252 1 16 1 1.1955 bmse011252 1 17 1 4.1516 bmse011252 1 18 1 4.1395 bmse011252 1 19 1 4.1278 bmse011252 1 20 1 4.1157 bmse011252 1 stop_ save_