######################### # 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 bmse011422 _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 bmse011422 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 bmse011422 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011422 1 2 bmse011422 1 3 bmse011422 1 4 bmse011422 1 5 bmse011422 1 6 bmse011422 1 7 bmse011422 1 9 bmse011422 1 10 bmse011422 1 11 bmse011422 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 8.7851 m_1H bmse011422 1 2 1 3.7805 m_3H_Q1 bmse011422 1 3 1 3.1157 m_3H bmse011422 1 4 1 7.5999 m_1H bmse011422 1 5 1 3.2122 m_3H bmse011422 1 6 1 2.6025 DMSO bmse011422 1 7 1 7.6433 dd_1H bmse011422 1 8 1 3.8657 m_3H bmse011422 1 9 1 2.7160 Imp2 bmse011422 1 10 1 8.5677 m_1H bmse011422 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 7.9779 bmse011422 1 2 2 1 0.0000 bmse011422 1 3 3 1 0.0000 bmse011422 1 4 4 1 4.4291 bmse011422 1 5 5 1 5.0068 bmse011422 1 6 6 1 1.9257 bmse011422 1 7 7 1 8.6931 bmse011422 1 8 7 1 4.2915 bmse011422 1 9 8 1 4.8968 bmse011422 1 10 9 1 0.0000 bmse011422 1 11 10 1 4.0164 bmse011422 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011422 1 2 bmse011422 1 3 bmse011422 1 4 bmse011422 1 5 bmse011422 1 6 bmse011422 1 7 bmse011422 1 8 bmse011422 1 9 bmse011422 1 10 bmse011422 1 11 bmse011422 1 12 bmse011422 1 13 bmse011422 1 14 bmse011422 1 15 bmse011422 1 16 bmse011422 1 17 bmse011422 1 18 bmse011422 1 19 bmse011422 1 20 bmse011422 1 21 bmse011422 1 22 bmse011422 1 23 bmse011422 1 24 bmse011422 1 25 bmse011422 1 26 bmse011422 1 27 bmse011422 1 28 bmse011422 1 29 bmse011422 1 30 bmse011422 1 31 bmse011422 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 8.7984 bmse011422 1 2 1 8.7786 bmse011422 1 3 1 8.7718 bmse011422 1 4 1 3.7805 bmse011422 1 5 1 3.1157 bmse011422 1 6 1 7.6147 bmse011422 1 7 1 7.6075 bmse011422 1 8 1 7.5987 bmse011422 1 9 1 7.5934 bmse011422 1 10 1 7.5852 bmse011422 1 11 1 3.2206 bmse011422 1 12 1 3.2122 bmse011422 1 13 1 3.2039 bmse011422 1 14 1 2.5961 bmse011422 1 15 1 2.5996 bmse011422 1 16 1 2.6025 bmse011422 1 17 1 2.6055 bmse011422 1 18 1 2.6089 bmse011422 1 19 1 7.6541 bmse011422 1 20 1 7.6470 bmse011422 1 21 1 7.6396 bmse011422 1 22 1 7.6325 bmse011422 1 23 1 3.8739 bmse011422 1 24 1 3.8658 bmse011422 1 25 1 3.8575 bmse011422 1 26 1 2.7160 bmse011422 1 27 1 8.5811 bmse011422 1 28 1 8.5710 bmse011422 1 29 1 8.5670 bmse011422 1 30 1 8.5569 bmse011422 1 31 1 8.5543 bmse011422 1 stop_ save_