######################### # 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 bmse011528 _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 bmse011528 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 bmse011528 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011528 1 2 bmse011528 1 3 bmse011528 1 4 bmse011528 1 5 bmse011528 1 6 bmse011528 1 8 bmse011528 1 9 bmse011528 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 3.3201 m_2H bmse011528 1 2 1 4.6500 SUP bmse011528 1 3 1 3.6950 s_1H bmse011528 1 4 1 2.7036 Imp2 bmse011528 1 5 1 2.6025 DMSO bmse011528 1 6 1 2.4467 Imp1 bmse011528 1 7 1 1.9670 m_3H_Q1 bmse011528 1 8 1 3.0379 m_1H bmse011528 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 7.3648 bmse011528 1 2 2 1 0.0000 bmse011528 1 3 3 1 0.0000 bmse011528 1 4 4 1 0.0000 bmse011528 1 5 5 1 1.9257 bmse011528 1 6 6 1 14.1401 bmse011528 1 7 6 1 6.1072 bmse011528 1 8 7 1 5.9227 bmse011528 1 9 8 1 12.2750 bmse011528 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011528 1 2 bmse011528 1 3 bmse011528 1 4 bmse011528 1 5 bmse011528 1 6 bmse011528 1 7 bmse011528 1 8 bmse011528 1 9 bmse011528 1 10 bmse011528 1 11 bmse011528 1 12 bmse011528 1 13 bmse011528 1 14 bmse011528 1 15 bmse011528 1 16 bmse011528 1 17 bmse011528 1 18 bmse011528 1 19 bmse011528 1 20 bmse011528 1 21 bmse011528 1 22 bmse011528 1 23 bmse011528 1 24 bmse011528 1 25 bmse011528 1 26 bmse011528 1 27 bmse011528 1 28 bmse011528 1 29 bmse011528 1 30 bmse011528 1 31 bmse011528 1 32 bmse011528 1 33 bmse011528 1 34 bmse011528 1 35 bmse011528 1 36 bmse011528 1 37 bmse011528 1 38 bmse011528 1 39 bmse011528 1 40 bmse011528 1 41 bmse011528 1 42 bmse011528 1 43 bmse011528 1 44 bmse011528 1 45 bmse011528 1 46 bmse011528 1 47 bmse011528 1 48 bmse011528 1 49 bmse011528 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 3.4060 bmse011528 1 2 1 3.3942 bmse011528 1 3 1 3.3869 bmse011528 1 4 1 3.3825 bmse011528 1 5 1 3.3752 bmse011528 1 6 1 3.3634 bmse011528 1 7 1 3.3421 bmse011528 1 8 1 3.3308 bmse011528 1 9 1 3.3229 bmse011528 1 10 1 3.3179 bmse011528 1 11 1 3.2994 bmse011528 1 12 1 3.2655 bmse011528 1 13 1 3.2529 bmse011528 1 14 1 3.2448 bmse011528 1 15 1 3.2342 bmse011528 1 16 1 4.6500 bmse011528 1 17 1 3.6950 bmse011528 1 18 1 2.7036 bmse011528 1 19 1 2.5961 bmse011528 1 20 1 2.5998 bmse011528 1 21 1 2.6025 bmse011528 1 22 1 2.6053 bmse011528 1 23 1 2.6089 bmse011528 1 24 1 2.4636 bmse011528 1 25 1 2.4535 bmse011528 1 26 1 2.4401 bmse011528 1 27 1 2.4298 bmse011528 1 28 1 2.0508 bmse011528 1 29 1 2.0387 bmse011528 1 30 1 2.0281 bmse011528 1 31 1 2.0272 bmse011528 1 32 1 2.0263 bmse011528 1 33 1 2.0166 bmse011528 1 34 1 2.0048 bmse011528 1 35 1 1.9933 bmse011528 1 36 1 1.9826 bmse011528 1 37 1 1.9716 bmse011528 1 38 1 1.9603 bmse011528 1 39 1 1.9498 bmse011528 1 40 1 1.9401 bmse011528 1 41 1 1.9289 bmse011528 1 42 1 1.9188 bmse011528 1 43 1 1.9073 bmse011528 1 44 1 1.8954 bmse011528 1 45 1 1.8831 bmse011528 1 46 1 3.0685 bmse011528 1 47 1 3.0583 bmse011528 1 48 1 3.0097 bmse011528 1 49 1 3.0072 bmse011528 1 stop_ save_