######################### # 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 bmse011070 _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 bmse011070 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 bmse011070 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011070 1 2 bmse011070 1 3 bmse011070 1 4 bmse011070 1 5 bmse011070 1 6 bmse011070 1 7 bmse011070 1 8 bmse011070 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 1.1896 11,13,14,15 bmse011070 1 2 1 2.6336 DMSO_6,9_m bmse011070 1 3 1 1.4498 16,17_m bmse011070 1 4 1 1.6537 10,15,16,17 bmse011070 1 5 1 2.5307 4_m_Q1 bmse011070 1 6 1 1.8536 11,14_m bmse011070 1 7 1 3.0794 6_m_Q2 bmse011070 1 8 1 4.6500 SUP bmse011070 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 1 184.9322 bmse011070 1 2 2 1 75.7261 bmse011070 1 3 3 1 121.2105 bmse011070 1 4 4 1 118.6224 bmse011070 1 5 5 1 3.4968 bmse011070 1 6 6 1 116.5260 bmse011070 1 7 7 1 7.3176 bmse011070 1 8 8 1 0.0000 bmse011070 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011070 1 2 bmse011070 1 3 bmse011070 1 4 bmse011070 1 5 bmse011070 1 6 bmse011070 1 7 bmse011070 1 8 bmse011070 1 9 bmse011070 1 10 bmse011070 1 11 bmse011070 1 12 bmse011070 1 13 bmse011070 1 14 bmse011070 1 15 bmse011070 1 16 bmse011070 1 17 bmse011070 1 18 bmse011070 1 19 bmse011070 1 20 bmse011070 1 21 bmse011070 1 22 bmse011070 1 23 bmse011070 1 24 bmse011070 1 25 bmse011070 1 26 bmse011070 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 1.3436 bmse011070 1 2 1 1.0355 bmse011070 1 3 1 2.6967 bmse011070 1 4 1 2.5705 bmse011070 1 5 1 1.5508 bmse011070 1 6 1 1.3488 bmse011070 1 7 1 1.7525 bmse011070 1 8 1 1.5549 bmse011070 1 9 1 2.5569 bmse011070 1 10 1 2.5505 bmse011070 1 11 1 2.5440 bmse011070 1 12 1 2.5371 bmse011070 1 13 1 2.5367 bmse011070 1 14 1 2.5307 bmse011070 1 15 1 2.5242 bmse011070 1 16 1 2.5171 bmse011070 1 17 1 2.5107 bmse011070 1 18 1 2.5044 bmse011070 1 19 1 1.9507 bmse011070 1 20 1 1.7565 bmse011070 1 21 1 3.1038 bmse011070 1 22 1 3.0994 bmse011070 1 23 1 3.0794 bmse011070 1 24 1 3.0594 bmse011070 1 25 1 3.0550 bmse011070 1 26 1 4.6500 bmse011070 1 stop_ save_