######################### # 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 bmse011603 _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 bmse011603 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 bmse011603 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011603 1 3 bmse011603 1 4 bmse011603 1 5 bmse011603 1 6 bmse011603 1 7 bmse011603 1 8 bmse011603 1 9 bmse011603 1 10 bmse011603 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 2.7212 9_dd_Q2 bmse011603 1 2 1 4.6500 SUP bmse011603 1 3 1 1.0682 13,14_d bmse011603 1 4 1 1.9162 8_quint_Q1 bmse011603 1 5 1 3.2757 5,12_m bmse011603 1 6 1 3.8941 11_m bmse011603 1 7 1 2.6026 DMSO bmse011603 1 8 1 2.9014 7_m_Q3 bmse011603 1 9 1 3.1826 10_s bmse011603 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 5.7771 bmse011603 1 2 1 1 5.7771 bmse011603 1 3 2 1 0.0000 bmse011603 1 4 3 1 6.7124 bmse011603 1 5 4 1 5.6945 bmse011603 1 6 5 1 62.9308 bmse011603 1 7 6 1 4.1705 bmse011603 1 8 7 1 1.9532 bmse011603 1 9 8 1 5.2819 bmse011603 1 10 9 1 0.0000 bmse011603 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011603 1 2 bmse011603 1 3 bmse011603 1 4 bmse011603 1 5 bmse011603 1 6 bmse011603 1 7 bmse011603 1 8 bmse011603 1 9 bmse011603 1 10 bmse011603 1 11 bmse011603 1 12 bmse011603 1 13 bmse011603 1 14 bmse011603 1 15 bmse011603 1 16 bmse011603 1 17 bmse011603 1 18 bmse011603 1 19 bmse011603 1 20 bmse011603 1 21 bmse011603 1 22 bmse011603 1 23 bmse011603 1 24 bmse011603 1 25 bmse011603 1 26 bmse011603 1 27 bmse011603 1 28 bmse011603 1 29 bmse011603 1 30 bmse011603 1 31 bmse011603 1 32 bmse011603 1 33 bmse011603 1 34 bmse011603 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 2.7309 bmse011603 1 2 1 2.7213 bmse011603 1 3 1 2.7213 bmse011603 1 4 1 2.7116 bmse011603 1 5 1 4.6500 bmse011603 1 6 1 1.0626 bmse011603 1 7 1 1.0738 bmse011603 1 8 1 1.8972 bmse011603 1 9 1 1.9067 bmse011603 1 10 1 1.9161 bmse011603 1 11 1 1.9254 bmse011603 1 12 1 1.9351 bmse011603 1 13 1 3.3282 bmse011603 1 14 1 3.2233 bmse011603 1 15 1 3.9289 bmse011603 1 16 1 3.9173 bmse011603 1 17 1 3.9061 bmse011603 1 18 1 3.9026 bmse011603 1 19 1 3.8951 bmse011603 1 20 1 3.8926 bmse011603 1 21 1 3.8841 bmse011603 1 22 1 3.8814 bmse011603 1 23 1 3.8735 bmse011603 1 24 1 3.8704 bmse011603 1 25 1 3.8594 bmse011603 1 26 1 2.5961 bmse011603 1 27 1 2.5998 bmse011603 1 28 1 2.6027 bmse011603 1 29 1 2.6056 bmse011603 1 30 1 2.6091 bmse011603 1 31 1 2.9102 bmse011603 1 32 1 2.9012 bmse011603 1 33 1 2.8926 bmse011603 1 34 1 3.1826 bmse011603 1 stop_ save_