######################### # 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 bmse011228 _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 bmse011228 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 bmse011228 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011228 1 2 bmse011228 1 3 bmse011228 1 4 bmse011228 1 5 bmse011228 1 6 bmse011228 1 7 bmse011228 1 8 bmse011228 1 9 bmse011228 1 10 bmse011228 1 11 bmse011228 1 12 bmse011228 1 13 bmse011228 1 14 bmse011228 1 15 bmse011228 1 16 bmse011228 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 9.8664 s_1H bmse011228 1 2 1 7.4733 m_1H bmse011228 1 3 1 7.6884 m_1H bmse011228 1 4 1 1.0929 m_3H_Q1 bmse011228 1 5 1 3.2699 s_2H bmse011228 1 6 1 7.3938 m_12H bmse011228 1 7 1 2.7201 Imp2 bmse011228 1 8 1 2.4854 Imp1 bmse011228 1 9 1 6.9653 s_1H bmse011228 1 10 1 3.5683 q_2H bmse011228 1 11 1 7.8883 m_3H bmse011228 1 12 1 6.6010 m_2H bmse011228 1 13 1 2.6031 DMSO bmse011228 1 14 1 4.1095 s_6H bmse011228 1 15 1 7.3091 m_12H bmse011228 1 16 1 7.5549 m_3H bmse011228 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 0.0000 bmse011228 1 2 2 1 3.8881 bmse011228 1 3 3 1 4.9151 bmse011228 1 4 4 1 7.0975 bmse011228 1 5 5 1 0.0000 bmse011228 1 6 6 1 2.8198 bmse011228 1 7 7 1 0.0000 bmse011228 1 8 8 1 0.0000 bmse011228 1 9 9 1 0.0000 bmse011228 1 10 10 1 7.0792 bmse011228 1 11 11 1 4.1265 bmse011228 1 12 12 1 0.0000 bmse011228 1 13 13 1 1.9257 bmse011228 1 14 14 1 0.0000 bmse011228 1 15 15 1 8.1613 bmse011228 1 16 16 1 7.7028 bmse011228 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011228 1 2 bmse011228 1 3 bmse011228 1 4 bmse011228 1 5 bmse011228 1 6 bmse011228 1 7 bmse011228 1 8 bmse011228 1 9 bmse011228 1 10 bmse011228 1 11 bmse011228 1 12 bmse011228 1 13 bmse011228 1 14 bmse011228 1 15 bmse011228 1 16 bmse011228 1 17 bmse011228 1 18 bmse011228 1 19 bmse011228 1 20 bmse011228 1 21 bmse011228 1 22 bmse011228 1 23 bmse011228 1 24 bmse011228 1 25 bmse011228 1 26 bmse011228 1 27 bmse011228 1 28 bmse011228 1 29 bmse011228 1 30 bmse011228 1 31 bmse011228 1 32 bmse011228 1 33 bmse011228 1 34 bmse011228 1 35 bmse011228 1 36 bmse011228 1 37 bmse011228 1 38 bmse011228 1 39 bmse011228 1 40 bmse011228 1 41 bmse011228 1 42 bmse011228 1 43 bmse011228 1 44 bmse011228 1 45 bmse011228 1 46 bmse011228 1 47 bmse011228 1 48 bmse011228 1 49 bmse011228 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 9.8664 bmse011228 1 2 1 7.4830 bmse011228 1 3 1 7.4766 bmse011228 1 4 1 7.4697 bmse011228 1 5 1 7.4636 bmse011228 1 6 1 7.7007 bmse011228 1 7 1 7.6985 bmse011228 1 8 1 7.6884 bmse011228 1 9 1 7.6761 bmse011228 1 10 1 1.1048 bmse011228 1 11 1 1.0928 bmse011228 1 12 1 1.0811 bmse011228 1 13 1 3.2699 bmse011228 1 14 1 7.4126 bmse011228 1 15 1 7.4106 bmse011228 1 16 1 7.4004 bmse011228 1 17 1 7.3969 bmse011228 1 18 1 7.3888 bmse011228 1 19 1 7.3848 bmse011228 1 20 1 7.3813 bmse011228 1 21 1 7.3787 bmse011228 1 22 1 7.3750 bmse011228 1 23 1 2.7201 bmse011228 1 24 1 2.4854 bmse011228 1 25 1 6.9653 bmse011228 1 26 1 3.5506 bmse011228 1 27 1 3.5623 bmse011228 1 28 1 3.5743 bmse011228 1 29 1 3.5860 bmse011228 1 30 1 7.8952 bmse011228 1 31 1 7.8835 bmse011228 1 32 1 7.8815 bmse011228 1 33 1 6.6010 bmse011228 1 34 1 2.5967 bmse011228 1 35 1 2.6001 bmse011228 1 36 1 2.6031 bmse011228 1 37 1 2.6062 bmse011228 1 38 1 2.6095 bmse011228 1 39 1 4.1095 bmse011228 1 40 1 7.3499 bmse011228 1 41 1 7.3373 bmse011228 1 42 1 7.3257 bmse011228 1 43 1 7.3153 bmse011228 1 44 1 7.3037 bmse011228 1 45 1 7.2799 bmse011228 1 46 1 7.2683 bmse011228 1 47 1 7.5677 bmse011228 1 48 1 7.5547 bmse011228 1 49 1 7.5421 bmse011228 1 stop_ save_