######################### # 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 bmse011101 _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 bmse011101 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 bmse011101 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011101 1 2 bmse011101 1 3 bmse011101 1 4 bmse011101 1 5 bmse011101 1 6 bmse011101 1 7 bmse011101 1 8 bmse011101 1 9 bmse011101 1 10 bmse011101 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 4.6500 SUP bmse011101 1 2 1 7.6415 d_1H_Q1 bmse011101 1 3 1 7.8792 m_2H bmse011101 1 4 1 3.6661 m_3H bmse011101 1 5 1 3.5150 m_3H bmse011101 1 6 1 3.8886 m_2H bmse011101 1 7 1 2.6027 DMSO bmse011101 1 8 1 2.4925 Imp1 bmse011101 1 9 1 1.9725 m_6H bmse011101 1 10 1 3.4030 s_3H bmse011101 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 bmse011101 1 2 2 1 2.8610 bmse011101 1 3 3 1 11.4991 bmse011101 1 4 4 1 9.0966 bmse011101 1 5 5 1 5.2888 bmse011101 1 6 6 1 7.4460 bmse011101 1 7 7 1 0.0000 bmse011101 1 8 8 1 0.0000 bmse011101 1 9 9 1 4.7317 bmse011101 1 10 10 1 0.0000 bmse011101 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011101 1 2 bmse011101 1 3 bmse011101 1 4 bmse011101 1 5 bmse011101 1 6 bmse011101 1 7 bmse011101 1 8 bmse011101 1 9 bmse011101 1 10 bmse011101 1 11 bmse011101 1 12 bmse011101 1 13 bmse011101 1 14 bmse011101 1 15 bmse011101 1 16 bmse011101 1 17 bmse011101 1 18 bmse011101 1 19 bmse011101 1 20 bmse011101 1 21 bmse011101 1 22 bmse011101 1 23 bmse011101 1 24 bmse011101 1 25 bmse011101 1 26 bmse011101 1 27 bmse011101 1 28 bmse011101 1 29 bmse011101 1 30 bmse011101 1 31 bmse011101 1 32 bmse011101 1 33 bmse011101 1 34 bmse011101 1 35 bmse011101 1 36 bmse011101 1 37 bmse011101 1 38 bmse011101 1 39 bmse011101 1 40 bmse011101 1 41 bmse011101 1 42 bmse011101 1 43 bmse011101 1 44 bmse011101 1 45 bmse011101 1 46 bmse011101 1 47 bmse011101 1 48 bmse011101 1 49 bmse011101 1 50 bmse011101 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 4.6500 bmse011101 1 2 1 7.6391 bmse011101 1 3 1 7.6438 bmse011101 1 4 1 7.8983 bmse011101 1 5 1 7.8958 bmse011101 1 6 1 7.8600 bmse011101 1 7 1 3.6889 bmse011101 1 8 1 3.6744 bmse011101 1 9 1 3.6579 bmse011101 1 10 1 3.6434 bmse011101 1 11 1 3.5855 bmse011101 1 12 1 3.5737 bmse011101 1 13 1 3.5618 bmse011101 1 14 1 3.5497 bmse011101 1 15 1 3.5326 bmse011101 1 16 1 3.5213 bmse011101 1 17 1 3.5204 bmse011101 1 18 1 3.5152 bmse011101 1 19 1 3.5088 bmse011101 1 20 1 3.5037 bmse011101 1 21 1 3.4919 bmse011101 1 22 1 3.4850 bmse011101 1 23 1 3.4734 bmse011101 1 24 1 3.4679 bmse011101 1 25 1 3.4615 bmse011101 1 26 1 3.4562 bmse011101 1 27 1 3.4445 bmse011101 1 28 1 3.9072 bmse011101 1 29 1 3.8946 bmse011101 1 30 1 3.8828 bmse011101 1 31 1 3.8700 bmse011101 1 32 1 2.6027 bmse011101 1 33 1 2.4925 bmse011101 1 34 1 2.0316 bmse011101 1 35 1 2.0252 bmse011101 1 36 1 2.0202 bmse011101 1 37 1 2.0136 bmse011101 1 38 1 2.0087 bmse011101 1 39 1 2.0019 bmse011101 1 40 1 1.9931 bmse011101 1 41 1 1.9813 bmse011101 1 42 1 1.9804 bmse011101 1 43 1 1.9722 bmse011101 1 44 1 1.9597 bmse011101 1 45 1 1.9476 bmse011101 1 46 1 1.9381 bmse011101 1 47 1 1.9344 bmse011101 1 48 1 1.9258 bmse011101 1 49 1 1.9133 bmse011101 1 50 1 3.4030 bmse011101 1 stop_ save_