######################### # 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 bmse011620 _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 bmse011620 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 bmse011620 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011620 1 2 bmse011620 1 3 bmse011620 1 4 bmse011620 1 5 bmse011620 1 7 bmse011620 1 8 bmse011620 1 9 bmse011620 1 10 bmse011620 1 11 bmse011620 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 3.9247 m_2H_Q1 bmse011620 1 2 1 0.9779 m_4H bmse011620 1 3 1 1.2572 m_1H bmse011620 1 4 1 7.3116 m_1H bmse011620 1 5 1 3.3451 dd_1H bmse011620 1 6 1 3.4338 m_3H bmse011620 1 7 1 1.0250 s_4H bmse011620 1 8 1 2.6027 DMSO bmse011620 1 9 1 6.5928 m_1H bmse011620 1 10 1 7.6949 d_1H bmse011620 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 6.0522 bmse011620 1 2 2 1 0.0000 bmse011620 1 3 3 1 3.2645 bmse011620 1 4 4 1 3.2383 bmse011620 1 5 5 1 10.2337 bmse011620 1 6 5 1 2.9711 bmse011620 1 7 6 1 4.5483 bmse011620 1 8 7 1 0.0000 bmse011620 1 9 8 1 1.9807 bmse011620 1 10 9 1 2.6960 bmse011620 1 11 10 1 5.1718 bmse011620 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011620 1 2 bmse011620 1 3 bmse011620 1 4 bmse011620 1 5 bmse011620 1 6 bmse011620 1 7 bmse011620 1 8 bmse011620 1 9 bmse011620 1 10 bmse011620 1 11 bmse011620 1 12 bmse011620 1 13 bmse011620 1 14 bmse011620 1 15 bmse011620 1 16 bmse011620 1 17 bmse011620 1 18 bmse011620 1 19 bmse011620 1 20 bmse011620 1 21 bmse011620 1 22 bmse011620 1 23 bmse011620 1 24 bmse011620 1 25 bmse011620 1 26 bmse011620 1 27 bmse011620 1 28 bmse011620 1 29 bmse011620 1 30 bmse011620 1 31 bmse011620 1 32 bmse011620 1 33 bmse011620 1 34 bmse011620 1 35 bmse011620 1 36 bmse011620 1 37 bmse011620 1 38 bmse011620 1 39 bmse011620 1 40 bmse011620 1 41 bmse011620 1 42 bmse011620 1 43 bmse011620 1 44 bmse011620 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 3.9298 bmse011620 1 2 1 3.9197 bmse011620 1 3 1 0.9779 bmse011620 1 4 1 1.2654 bmse011620 1 5 1 1.2602 bmse011620 1 6 1 1.2531 bmse011620 1 7 1 1.2491 bmse011620 1 8 1 7.3305 bmse011620 1 9 1 7.3287 bmse011620 1 10 1 7.3175 bmse011620 1 11 1 7.3155 bmse011620 1 12 1 7.3078 bmse011620 1 13 1 7.3059 bmse011620 1 14 1 7.2947 bmse011620 1 15 1 7.2927 bmse011620 1 16 1 3.3561 bmse011620 1 17 1 3.3511 bmse011620 1 18 1 3.3390 bmse011620 1 19 1 3.3341 bmse011620 1 20 1 3.4679 bmse011620 1 21 1 3.4621 bmse011620 1 22 1 3.4529 bmse011620 1 23 1 3.4476 bmse011620 1 24 1 3.4443 bmse011620 1 25 1 3.4393 bmse011620 1 26 1 3.4199 bmse011620 1 27 1 3.4168 bmse011620 1 28 1 3.4028 bmse011620 1 29 1 3.3997 bmse011620 1 30 1 1.0250 bmse011620 1 31 1 2.5961 bmse011620 1 32 1 2.5998 bmse011620 1 33 1 2.6027 bmse011620 1 34 1 2.6055 bmse011620 1 35 1 2.6093 bmse011620 1 36 1 6.6063 bmse011620 1 37 1 6.6008 bmse011620 1 38 1 6.5977 bmse011620 1 39 1 6.5927 bmse011620 1 40 1 6.5878 bmse011620 1 41 1 6.5846 bmse011620 1 42 1 6.5793 bmse011620 1 43 1 7.6906 bmse011620 1 44 1 7.6992 bmse011620 1 stop_ save_