######################### # 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 bmse011029 _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 bmse011029 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 bmse011029 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011029 1 2 bmse011029 1 3 bmse011029 1 4 bmse011029 1 5 bmse011029 1 6 bmse011029 1 7 bmse011029 1 8 bmse011029 1 9 bmse011029 1 10 bmse011029 1 11 bmse011029 1 12 bmse011029 1 13 bmse011029 1 14 bmse011029 1 15 bmse011029 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 2.7166 Imp2 bmse011029 1 2 1 3.5677 q_3H_Q1 bmse011029 1 3 1 7.3919 s_1H bmse011029 1 4 1 2.4846 Imp1 bmse011029 1 5 1 2.7708 s_1H bmse011029 1 6 1 2.6026 DMSO bmse011029 1 7 1 1.0906 m_6H bmse011029 1 8 1 7.4268 s_1H bmse011029 1 9 1 2.3495 s_3H bmse011029 1 10 1 3.2694 s_4H bmse011029 1 11 1 2.2375 s_3H bmse011029 1 12 1 6.8254 s_1H bmse011029 1 13 1 2.9274 s_1H bmse011029 1 14 1 6.7900 m_1H bmse011029 1 15 1 2.2991 s_1H bmse011029 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 bmse011029 1 2 2 1 7.1159 bmse011029 1 3 3 1 0.0000 bmse011029 1 4 4 1 0.0000 bmse011029 1 5 5 1 0.0000 bmse011029 1 6 6 1 1.9532 bmse011029 1 7 7 1 4.0715 bmse011029 1 8 8 1 0.0000 bmse011029 1 9 9 1 0.0000 bmse011029 1 10 10 1 0.0000 bmse011029 1 11 11 1 0.0000 bmse011029 1 12 12 1 0.0000 bmse011029 1 13 13 1 0.0000 bmse011029 1 14 14 1 3.7413 bmse011029 1 15 15 1 0.0000 bmse011029 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011029 1 2 bmse011029 1 3 bmse011029 1 4 bmse011029 1 5 bmse011029 1 6 bmse011029 1 7 bmse011029 1 8 bmse011029 1 9 bmse011029 1 10 bmse011029 1 11 bmse011029 1 12 bmse011029 1 13 bmse011029 1 14 bmse011029 1 15 bmse011029 1 16 bmse011029 1 17 bmse011029 1 18 bmse011029 1 19 bmse011029 1 20 bmse011029 1 21 bmse011029 1 22 bmse011029 1 23 bmse011029 1 24 bmse011029 1 25 bmse011029 1 26 bmse011029 1 27 bmse011029 1 28 bmse011029 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 2.7166 bmse011029 1 2 1 3.5499 bmse011029 1 3 1 3.5618 bmse011029 1 4 1 3.5735 bmse011029 1 5 1 3.5855 bmse011029 1 6 1 7.3919 bmse011029 1 7 1 2.4846 bmse011029 1 8 1 2.7708 bmse011029 1 9 1 2.5961 bmse011029 1 10 1 2.5998 bmse011029 1 11 1 2.6027 bmse011029 1 12 1 2.6055 bmse011029 1 13 1 2.6091 bmse011029 1 14 1 1.1042 bmse011029 1 15 1 1.0923 bmse011029 1 16 1 1.0873 bmse011029 1 17 1 1.0806 bmse011029 1 18 1 1.0771 bmse011029 1 19 1 7.4268 bmse011029 1 20 1 2.3495 bmse011029 1 21 1 3.2694 bmse011029 1 22 1 2.2375 bmse011029 1 23 1 6.8254 bmse011029 1 24 1 2.9274 bmse011029 1 25 1 6.7962 bmse011029 1 26 1 6.7915 bmse011029 1 27 1 6.7838 bmse011029 1 28 1 2.2991 bmse011029 1 stop_ save_