######################### # 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 bmse011069 _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 bmse011069 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 bmse011069 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011069 1 2 bmse011069 1 3 bmse011069 1 4 bmse011069 1 5 bmse011069 1 6 bmse011069 1 7 bmse011069 1 8 bmse011069 1 9 bmse011069 1 10 bmse011069 1 11 bmse011069 1 12 bmse011069 1 13 bmse011069 1 14 bmse011069 1 15 bmse011069 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 3.5678 q_1H bmse011069 1 2 1 2.3752 s_3H_Q1 bmse011069 1 3 1 6.7883 s_1H bmse011069 1 4 1 7.2848 m_4H bmse011069 1 5 1 2.7210 Imp2 bmse011069 1 6 1 2.4412 Imp1 bmse011069 1 7 1 7.3892 t_1H bmse011069 1 8 1 2.6027 DMSO bmse011069 1 9 1 1.0957 m_6H bmse011069 1 10 1 2.2357 s_3H bmse011069 1 11 1 6.8296 s_1H bmse011069 1 12 1 3.2694 s_2H bmse011069 1 13 1 7.4785 d_1H bmse011069 1 14 1 6.6657 s_1H bmse011069 1 15 1 2.2124 m_4H bmse011069 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 7.0792 bmse011069 1 2 2 1 0.0000 bmse011069 1 3 3 1 0.0000 bmse011069 1 4 4 1 6.2943 bmse011069 1 5 5 1 0.0000 bmse011069 1 6 6 1 0.0000 bmse011069 1 7 7 1 7.5927 bmse011069 1 8 8 1 0.0000 bmse011069 1 9 9 1 3.6753 bmse011069 1 10 10 1 0.0000 bmse011069 1 11 11 1 0.0000 bmse011069 1 12 12 1 0.0000 bmse011069 1 13 13 1 6.7124 bmse011069 1 14 14 1 0.0000 bmse011069 1 15 15 1 0.0000 bmse011069 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011069 1 2 bmse011069 1 3 bmse011069 1 4 bmse011069 1 5 bmse011069 1 6 bmse011069 1 7 bmse011069 1 8 bmse011069 1 9 bmse011069 1 10 bmse011069 1 11 bmse011069 1 12 bmse011069 1 13 bmse011069 1 14 bmse011069 1 15 bmse011069 1 16 bmse011069 1 17 bmse011069 1 18 bmse011069 1 19 bmse011069 1 20 bmse011069 1 21 bmse011069 1 22 bmse011069 1 23 bmse011069 1 24 bmse011069 1 25 bmse011069 1 26 bmse011069 1 27 bmse011069 1 28 bmse011069 1 29 bmse011069 1 30 bmse011069 1 31 bmse011069 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 3.5501 bmse011069 1 2 1 3.5618 bmse011069 1 3 1 3.5735 bmse011069 1 4 1 3.5855 bmse011069 1 5 1 2.3752 bmse011069 1 6 1 6.7883 bmse011069 1 7 1 7.3111 bmse011069 1 8 1 7.3078 bmse011069 1 9 1 7.2977 bmse011069 1 10 1 7.2826 bmse011069 1 11 1 7.2713 bmse011069 1 12 1 7.2586 bmse011069 1 13 1 2.7210 bmse011069 1 14 1 2.4412 bmse011069 1 15 1 7.3765 bmse011069 1 16 1 7.3888 bmse011069 1 17 1 7.4018 bmse011069 1 18 1 2.6027 bmse011069 1 19 1 1.1110 bmse011069 1 20 1 1.1040 bmse011069 1 21 1 1.0985 bmse011069 1 22 1 1.0921 bmse011069 1 23 1 1.0862 bmse011069 1 24 1 1.0804 bmse011069 1 25 1 2.2357 bmse011069 1 26 1 6.8296 bmse011069 1 27 1 3.2694 bmse011069 1 28 1 7.4730 bmse011069 1 29 1 7.4841 bmse011069 1 30 1 6.6657 bmse011069 1 31 1 2.2124 bmse011069 1 stop_ save_