######################### # 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 bmse011205 _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 bmse011205 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 bmse011205 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011205 1 2 bmse011205 1 3 bmse011205 1 4 bmse011205 1 5 bmse011205 1 6 bmse011205 1 7 bmse011205 1 8 bmse011205 1 9 bmse011205 1 10 bmse011205 1 11 bmse011205 1 12 bmse011205 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 7.3702 m_3H bmse011205 1 2 1 2.4823 Imp1 bmse011205 1 3 1 7.0659 m_1H bmse011205 1 4 1 2.7171 Imp2 bmse011205 1 5 1 7.0075 m_1H bmse011205 1 6 1 2.6034 DMSO bmse011205 1 7 1 2.7906 s_1H bmse011205 1 8 1 1.0929 m_6H bmse011205 1 9 1 3.5684 q_3H_Q1 bmse011205 1 10 1 3.2701 m_4H bmse011205 1 11 1 7.4444 d_2H bmse011205 1 12 1 7.7516 m_2H bmse011205 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 3.7083 bmse011205 1 2 2 1 0.0000 bmse011205 1 3 3 1 2.9344 bmse011205 1 4 4 1 0.0000 bmse011205 1 5 5 1 3.8514 bmse011205 1 6 6 1 1.8982 bmse011205 1 7 7 1 0.0000 bmse011205 1 8 8 1 7.0975 bmse011205 1 9 9 1 7.1159 bmse011205 1 10 10 1 0.0000 bmse011205 1 11 11 1 7.1526 bmse011205 1 12 12 1 4.7684 bmse011205 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011205 1 2 bmse011205 1 3 bmse011205 1 4 bmse011205 1 5 bmse011205 1 6 bmse011205 1 7 bmse011205 1 8 bmse011205 1 9 bmse011205 1 10 bmse011205 1 11 bmse011205 1 12 bmse011205 1 13 bmse011205 1 14 bmse011205 1 15 bmse011205 1 16 bmse011205 1 17 bmse011205 1 18 bmse011205 1 19 bmse011205 1 20 bmse011205 1 21 bmse011205 1 22 bmse011205 1 23 bmse011205 1 24 bmse011205 1 25 bmse011205 1 26 bmse011205 1 27 bmse011205 1 28 bmse011205 1 29 bmse011205 1 30 bmse011205 1 31 bmse011205 1 32 bmse011205 1 33 bmse011205 1 34 bmse011205 1 35 bmse011205 1 36 bmse011205 1 37 bmse011205 1 38 bmse011205 1 39 bmse011205 1 40 bmse011205 1 41 bmse011205 1 42 bmse011205 1 43 bmse011205 1 44 bmse011205 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 7.4011 bmse011205 1 2 1 7.3980 bmse011205 1 3 1 7.3897 bmse011205 1 4 1 7.3868 bmse011205 1 5 1 7.3769 bmse011205 1 6 1 7.3738 bmse011205 1 7 1 7.3587 bmse011205 1 8 1 7.3560 bmse011205 1 9 1 7.3486 bmse011205 1 10 1 7.3441 bmse011205 1 11 1 7.3393 bmse011205 1 12 1 2.4823 bmse011205 1 13 1 7.0586 bmse011205 1 14 1 7.0615 bmse011205 1 15 1 7.0698 bmse011205 1 16 1 7.0733 bmse011205 1 17 1 2.7171 bmse011205 1 18 1 7.0172 bmse011205 1 19 1 7.0126 bmse011205 1 20 1 7.0093 bmse011205 1 21 1 6.9979 bmse011205 1 22 1 2.5970 bmse011205 1 23 1 2.6001 bmse011205 1 24 1 2.6033 bmse011205 1 25 1 2.6064 bmse011205 1 26 1 2.6097 bmse011205 1 27 1 2.7906 bmse011205 1 28 1 1.1048 bmse011205 1 29 1 1.0928 bmse011205 1 30 1 1.0811 bmse011205 1 31 1 3.5506 bmse011205 1 32 1 3.5625 bmse011205 1 33 1 3.5743 bmse011205 1 34 1 3.5862 bmse011205 1 35 1 3.2701 bmse011205 1 36 1 7.4385 bmse011205 1 37 1 7.4504 bmse011205 1 38 1 7.7755 bmse011205 1 39 1 7.7718 bmse011205 1 40 1 7.7641 bmse011205 1 41 1 7.7606 bmse011205 1 42 1 7.7425 bmse011205 1 43 1 7.7388 bmse011205 1 44 1 7.7278 bmse011205 1 stop_ save_