######################### # 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 bmse011249 _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 bmse011249 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 bmse011249 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011249 1 2 bmse011249 1 3 bmse011249 1 4 bmse011249 1 5 bmse011249 1 6 bmse011249 1 7 bmse011249 1 8 bmse011249 1 9 bmse011249 1 10 bmse011249 1 11 bmse011249 1 12 bmse011249 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 7.5842 m_1H bmse011249 1 2 1 7.9480 m_1H bmse011249 1 3 1 7.4766 m_3H bmse011249 1 4 1 7.8947 m_1H bmse011249 1 5 1 2.7171 Imp2 bmse011249 1 6 1 4.0246 s_2H bmse011249 1 7 1 3.7857 m_3H bmse011249 1 8 1 2.6030 DMSO bmse011249 1 9 1 8.5013 m_2H_Q1 bmse011249 1 10 1 2.8933 s_4H bmse011249 1 11 1 2.4854 Imp1 bmse011249 1 12 1 3.0504 m_4H bmse011249 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 7.8128 bmse011249 1 2 2 1 3.4332 bmse011249 1 3 3 1 3.3689 bmse011249 1 4 4 1 3.4552 bmse011249 1 5 5 1 0.0000 bmse011249 1 6 6 1 0.0000 bmse011249 1 7 7 1 0.0000 bmse011249 1 8 8 1 1.9532 bmse011249 1 9 9 1 6.6024 bmse011249 1 10 10 1 0.0000 bmse011249 1 11 11 1 0.0000 bmse011249 1 12 12 1 0.0000 bmse011249 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011249 1 2 bmse011249 1 3 bmse011249 1 4 bmse011249 1 5 bmse011249 1 6 bmse011249 1 7 bmse011249 1 8 bmse011249 1 9 bmse011249 1 10 bmse011249 1 11 bmse011249 1 12 bmse011249 1 13 bmse011249 1 14 bmse011249 1 15 bmse011249 1 16 bmse011249 1 17 bmse011249 1 18 bmse011249 1 19 bmse011249 1 20 bmse011249 1 21 bmse011249 1 22 bmse011249 1 23 bmse011249 1 24 bmse011249 1 25 bmse011249 1 26 bmse011249 1 27 bmse011249 1 28 bmse011249 1 29 bmse011249 1 30 bmse011249 1 31 bmse011249 1 32 bmse011249 1 33 bmse011249 1 34 bmse011249 1 35 bmse011249 1 36 bmse011249 1 37 bmse011249 1 38 bmse011249 1 39 bmse011249 1 40 bmse011249 1 41 bmse011249 1 42 bmse011249 1 43 bmse011249 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 7.5776 bmse011249 1 2 1 7.5907 bmse011249 1 3 1 7.9623 bmse011249 1 4 1 7.9597 bmse011249 1 5 1 7.9493 bmse011249 1 6 1 7.9467 bmse011249 1 7 1 7.9363 bmse011249 1 8 1 7.9337 bmse011249 1 9 1 7.5131 bmse011249 1 10 1 7.5052 bmse011249 1 11 1 7.5049 bmse011249 1 12 1 7.5032 bmse011249 1 13 1 7.5003 bmse011249 1 14 1 7.4918 bmse011249 1 15 1 7.4781 bmse011249 1 16 1 7.4770 bmse011249 1 17 1 7.4764 bmse011249 1 18 1 7.4684 bmse011249 1 19 1 7.4653 bmse011249 1 20 1 7.4636 bmse011249 1 21 1 7.4548 bmse011249 1 22 1 7.4401 bmse011249 1 23 1 7.9091 bmse011249 1 24 1 7.9066 bmse011249 1 25 1 7.8959 bmse011249 1 26 1 7.8934 bmse011249 1 27 1 7.8829 bmse011249 1 28 1 7.8804 bmse011249 1 29 1 2.7171 bmse011249 1 30 1 4.0246 bmse011249 1 31 1 3.7857 bmse011249 1 32 1 2.5965 bmse011249 1 33 1 2.6000 bmse011249 1 34 1 2.6031 bmse011249 1 35 1 2.6060 bmse011249 1 36 1 2.6095 bmse011249 1 37 1 8.5179 bmse011249 1 38 1 8.5092 bmse011249 1 39 1 8.4931 bmse011249 1 40 1 8.4848 bmse011249 1 41 1 2.8933 bmse011249 1 42 1 2.4854 bmse011249 1 43 1 3.0504 bmse011249 1 stop_ save_