######################### # 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 bmse011639 _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 bmse011639 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 bmse011639 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011639 1 2 bmse011639 1 3 bmse011639 1 4 bmse011639 1 5 bmse011639 1 6 bmse011639 1 7 bmse011639 1 8 bmse011639 1 9 bmse011639 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 1.8841 m_6H bmse011639 1 2 1 1.5628 m_3H_Q1 bmse011639 1 3 1 1.0852 m_3H bmse011639 1 4 1 2.6029 DMSO bmse011639 1 5 1 1.2456 m_9H bmse011639 1 6 1 2.4857 Imp1 bmse011639 1 7 1 1.6416 m_1H bmse011639 1 8 1 1.7088 m_6H bmse011639 1 9 1 3.0668 m_2H bmse011639 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 7.9595 bmse011639 1 2 2 1 8.3630 bmse011639 1 3 3 1 5.1581 bmse011639 1 4 4 1 1.9807 bmse011639 1 5 5 1 6.2845 bmse011639 1 6 6 1 0.0000 bmse011639 1 7 7 1 5.7220 bmse011639 1 8 8 1 4.2915 bmse011639 1 9 9 1 4.2758 bmse011639 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011639 1 2 bmse011639 1 3 bmse011639 1 4 bmse011639 1 5 bmse011639 1 6 bmse011639 1 7 bmse011639 1 8 bmse011639 1 9 bmse011639 1 10 bmse011639 1 11 bmse011639 1 12 bmse011639 1 13 bmse011639 1 14 bmse011639 1 15 bmse011639 1 16 bmse011639 1 17 bmse011639 1 18 bmse011639 1 19 bmse011639 1 20 bmse011639 1 21 bmse011639 1 22 bmse011639 1 23 bmse011639 1 24 bmse011639 1 25 bmse011639 1 26 bmse011639 1 27 bmse011639 1 28 bmse011639 1 29 bmse011639 1 30 bmse011639 1 31 bmse011639 1 32 bmse011639 1 33 bmse011639 1 34 bmse011639 1 35 bmse011639 1 36 bmse011639 1 37 bmse011639 1 38 bmse011639 1 39 bmse011639 1 40 bmse011639 1 41 bmse011639 1 42 bmse011639 1 43 bmse011639 1 44 bmse011639 1 45 bmse011639 1 46 bmse011639 1 47 bmse011639 1 48 bmse011639 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 1.9040 bmse011639 1 2 1 1.8921 bmse011639 1 3 1 1.8675 bmse011639 1 4 1 1.8642 bmse011639 1 5 1 1.5767 bmse011639 1 6 1 1.5710 bmse011639 1 7 1 1.5488 bmse011639 1 8 1 1.1196 bmse011639 1 9 1 1.1136 bmse011639 1 10 1 1.1079 bmse011639 1 11 1 1.0925 bmse011639 1 12 1 1.0867 bmse011639 1 13 1 1.0718 bmse011639 1 14 1 1.0646 bmse011639 1 15 1 1.0591 bmse011639 1 16 1 1.0509 bmse011639 1 17 1 2.5963 bmse011639 1 18 1 2.6000 bmse011639 1 19 1 2.6029 bmse011639 1 20 1 2.6056 bmse011639 1 21 1 2.6095 bmse011639 1 22 1 1.2927 bmse011639 1 23 1 1.2714 bmse011639 1 24 1 1.2670 bmse011639 1 25 1 1.2540 bmse011639 1 26 1 1.2494 bmse011639 1 27 1 1.2406 bmse011639 1 28 1 1.2254 bmse011639 1 29 1 1.2199 bmse011639 1 30 1 1.2043 bmse011639 1 31 1 1.1985 bmse011639 1 32 1 2.4857 bmse011639 1 33 1 1.6559 bmse011639 1 34 1 1.6546 bmse011639 1 35 1 1.6510 bmse011639 1 36 1 1.6273 bmse011639 1 37 1 1.7195 bmse011639 1 38 1 1.7151 bmse011639 1 39 1 1.7054 bmse011639 1 40 1 1.6981 bmse011639 1 41 1 3.0917 bmse011639 1 42 1 3.0847 bmse011639 1 43 1 3.0781 bmse011639 1 44 1 3.0739 bmse011639 1 45 1 3.0666 bmse011639 1 46 1 3.0602 bmse011639 1 47 1 3.0490 bmse011639 1 48 1 3.0418 bmse011639 1 stop_ save_