######################### # 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 bmse011514 _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 bmse011514 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 bmse011514 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011514 1 2 bmse011514 1 3 bmse011514 1 4 bmse011514 1 5 bmse011514 1 6 bmse011514 1 7 bmse011514 1 8 bmse011514 1 9 bmse011514 1 10 bmse011514 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 2.7168 Imp2 bmse011514 1 2 1 7.4086 m_3H bmse011514 1 3 1 4.0082 m_1H bmse011514 1 4 1 7.3111 m_1H bmse011514 1 5 1 3.3948 m_1H bmse011514 1 6 1 2.6034 DMSO bmse011514 1 7 1 2.9888 m_3H_Q1 bmse011514 1 8 1 3.7854 t_3H bmse011514 1 9 1 2.9001 m_1H bmse011514 1 10 1 7.5459 m_1H bmse011514 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 bmse011514 1 2 2 1 8.1115 bmse011514 1 3 3 1 0.0000 bmse011514 1 4 4 1 7.9228 bmse011514 1 5 5 1 4.7317 bmse011514 1 6 6 1 0.0000 bmse011514 1 7 7 1 4.4016 bmse011514 1 8 8 1 4.1265 bmse011514 1 9 9 1 0.0000 bmse011514 1 10 10 1 6.2356 bmse011514 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011514 1 2 bmse011514 1 3 bmse011514 1 4 bmse011514 1 5 bmse011514 1 6 bmse011514 1 7 bmse011514 1 8 bmse011514 1 9 bmse011514 1 10 bmse011514 1 11 bmse011514 1 12 bmse011514 1 13 bmse011514 1 14 bmse011514 1 15 bmse011514 1 16 bmse011514 1 17 bmse011514 1 18 bmse011514 1 19 bmse011514 1 20 bmse011514 1 21 bmse011514 1 22 bmse011514 1 23 bmse011514 1 24 bmse011514 1 25 bmse011514 1 26 bmse011514 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 2.7168 bmse011514 1 2 1 7.4559 bmse011514 1 3 1 7.4486 bmse011514 1 4 1 7.4312 bmse011514 1 5 1 7.4194 bmse011514 1 6 1 7.4086 bmse011514 1 7 1 7.3871 bmse011514 1 8 1 7.3754 bmse011514 1 9 1 7.3613 bmse011514 1 10 1 4.0082 bmse011514 1 11 1 7.3045 bmse011514 1 12 1 7.3177 bmse011514 1 13 1 3.4027 bmse011514 1 14 1 3.3948 bmse011514 1 15 1 3.3869 bmse011514 1 16 1 2.6034 bmse011514 1 17 1 2.9925 bmse011514 1 18 1 2.9852 bmse011514 1 19 1 3.7785 bmse011514 1 20 1 3.7849 bmse011514 1 21 1 3.7923 bmse011514 1 22 1 2.9001 bmse011514 1 23 1 7.5615 bmse011514 1 24 1 7.5511 bmse011514 1 25 1 7.5384 bmse011514 1 26 1 7.5303 bmse011514 1 stop_ save_