######################### # 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 bmse011064 _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 bmse011064 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 bmse011064 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011064 1 2 bmse011064 1 3 bmse011064 1 4 bmse011064 1 5 bmse011064 1 6 bmse011064 1 8 bmse011064 1 9 bmse011064 1 10 bmse011064 1 11 bmse011064 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 1.5076 17_m_Q1 bmse011064 1 2 1 1.7115 14,15_m_Q2 bmse011064 1 3 1 6.9302 8,9_d bmse011064 1 4 1 1.1488 10,11,17_m bmse011064 1 5 1 1.6191 14,15_m bmse011064 1 6 1 7.3104 12,13_dd bmse011064 1 7 1 4.6500 SUP bmse011064 1 8 1 2.6029 DMSO bmse011064 1 9 1 7.0124 16_t bmse011064 1 10 1 3.5938 7_m_Q3 bmse011064 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 3.9174 bmse011064 1 2 2 1 3.8514 bmse011064 1 3 3 1 8.5831 bmse011064 1 4 4 1 181.6988 bmse011064 1 5 5 1 4.1155 bmse011064 1 6 6 1 7.8678 bmse011064 1 7 6 1 7.8678 bmse011064 1 8 7 1 0.0000 bmse011064 1 9 8 1 0.0000 bmse011064 1 10 9 1 7.1526 bmse011064 1 11 10 1 4.3741 bmse011064 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011064 1 2 bmse011064 1 3 bmse011064 1 4 bmse011064 1 5 bmse011064 1 6 bmse011064 1 7 bmse011064 1 8 bmse011064 1 9 bmse011064 1 10 bmse011064 1 11 bmse011064 1 12 bmse011064 1 13 bmse011064 1 14 bmse011064 1 15 bmse011064 1 16 bmse011064 1 17 bmse011064 1 18 bmse011064 1 19 bmse011064 1 20 bmse011064 1 21 bmse011064 1 22 bmse011064 1 23 bmse011064 1 24 bmse011064 1 25 bmse011064 1 26 bmse011064 1 27 bmse011064 1 28 bmse011064 1 29 bmse011064 1 30 bmse011064 1 31 bmse011064 1 32 bmse011064 1 33 bmse011064 1 34 bmse011064 1 35 bmse011064 1 36 bmse011064 1 37 bmse011064 1 38 bmse011064 1 39 bmse011064 1 40 bmse011064 1 41 bmse011064 1 42 bmse011064 1 43 bmse011064 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 1.5239 bmse011064 1 2 1 1.5189 bmse011064 1 3 1 1.5129 bmse011064 1 4 1 1.5023 bmse011064 1 5 1 1.4962 bmse011064 1 6 1 1.4913 bmse011064 1 7 1 1.7243 bmse011064 1 8 1 1.7199 bmse011064 1 9 1 1.7113 bmse011064 1 10 1 1.7034 bmse011064 1 11 1 1.6986 bmse011064 1 12 1 6.9231 bmse011064 1 13 1 6.9374 bmse011064 1 14 1 1.3001 bmse011064 1 15 1 0.9974 bmse011064 1 16 1 1.6363 bmse011064 1 17 1 1.6302 bmse011064 1 18 1 1.6242 bmse011064 1 19 1 1.6134 bmse011064 1 20 1 1.6075 bmse011064 1 21 1 1.6020 bmse011064 1 22 1 7.3235 bmse011064 1 23 1 7.3105 bmse011064 1 24 1 7.3105 bmse011064 1 25 1 7.2973 bmse011064 1 26 1 4.6500 bmse011064 1 27 1 2.6029 bmse011064 1 28 1 7.0005 bmse011064 1 29 1 7.0120 bmse011064 1 30 1 7.0243 bmse011064 1 31 1 3.6375 bmse011064 1 32 1 3.6313 bmse011064 1 33 1 3.6236 bmse011064 1 34 1 3.6185 bmse011064 1 35 1 3.6130 bmse011064 1 36 1 3.6060 bmse011064 1 37 1 3.5990 bmse011064 1 38 1 3.5948 bmse011064 1 39 1 3.5877 bmse011064 1 40 1 3.5809 bmse011064 1 41 1 3.5739 bmse011064 1 42 1 3.5620 bmse011064 1 43 1 3.5501 bmse011064 1 stop_ save_