######################### # 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 bmse011080 _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 bmse011080 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 bmse011080 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011080 1 2 bmse011080 1 3 bmse011080 1 4 bmse011080 1 5 bmse011080 1 6 bmse011080 1 7 bmse011080 1 8 bmse011080 1 9 bmse011080 1 10 bmse011080 1 11 bmse011080 1 12 bmse011080 1 13 bmse011080 1 14 bmse011080 1 15 bmse011080 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 3.2688 s_6H bmse011080 1 2 1 7.6325 m_3H bmse011080 1 3 1 2.4815 Imp1 bmse011080 1 4 1 7.4513 s_3H bmse011080 1 5 1 3.5674 m_4H_Q1 bmse011080 1 6 1 2.7193 Imp2 bmse011080 1 7 1 1.0082 d_12H bmse011080 1 8 1 7.3139 m_1H bmse011080 1 9 1 1.0918 m_6H bmse011080 1 10 1 3.7655 s_1H bmse011080 1 11 1 7.0783 m_3H bmse011080 1 12 1 2.6036 DMSO bmse011080 1 13 1 3.8030 m_21H bmse011080 1 14 1 0.9388 m_3H bmse011080 1 15 1 1.8822 m_3H bmse011080 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 bmse011080 1 2 2 1 8.5831 bmse011080 1 3 3 1 0.0000 bmse011080 1 4 4 1 0.0000 bmse011080 1 5 5 1 7.0792 bmse011080 1 6 6 1 0.0000 bmse011080 1 7 7 1 6.0522 bmse011080 1 8 8 1 3.4112 bmse011080 1 9 9 1 7.0975 bmse011080 1 10 10 1 0.0000 bmse011080 1 11 11 1 2.4429 bmse011080 1 12 12 1 0.0000 bmse011080 1 13 13 1 5.2269 bmse011080 1 14 14 1 6.0522 bmse011080 1 15 15 1 3.0536 bmse011080 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011080 1 2 bmse011080 1 3 bmse011080 1 4 bmse011080 1 5 bmse011080 1 6 bmse011080 1 7 bmse011080 1 8 bmse011080 1 9 bmse011080 1 10 bmse011080 1 11 bmse011080 1 12 bmse011080 1 13 bmse011080 1 14 bmse011080 1 15 bmse011080 1 16 bmse011080 1 17 bmse011080 1 18 bmse011080 1 19 bmse011080 1 20 bmse011080 1 21 bmse011080 1 22 bmse011080 1 23 bmse011080 1 24 bmse011080 1 25 bmse011080 1 26 bmse011080 1 27 bmse011080 1 28 bmse011080 1 29 bmse011080 1 30 bmse011080 1 31 bmse011080 1 32 bmse011080 1 33 bmse011080 1 34 bmse011080 1 35 bmse011080 1 36 bmse011080 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 3.2688 bmse011080 1 2 1 7.6253 bmse011080 1 3 1 7.6396 bmse011080 1 4 1 2.4815 bmse011080 1 5 1 7.4513 bmse011080 1 6 1 3.5851 bmse011080 1 7 1 3.5732 bmse011080 1 8 1 3.5612 bmse011080 1 9 1 3.5497 bmse011080 1 10 1 2.7193 bmse011080 1 11 1 1.0032 bmse011080 1 12 1 1.0133 bmse011080 1 13 1 7.3167 bmse011080 1 14 1 7.3111 bmse011080 1 15 1 1.1037 bmse011080 1 16 1 1.0919 bmse011080 1 17 1 1.0800 bmse011080 1 18 1 3.7655 bmse011080 1 19 1 7.0885 bmse011080 1 20 1 7.0863 bmse011080 1 21 1 7.0824 bmse011080 1 22 1 7.0720 bmse011080 1 23 1 7.0698 bmse011080 1 24 1 7.0681 bmse011080 1 25 1 2.6036 bmse011080 1 26 1 3.8117 bmse011080 1 27 1 3.8038 bmse011080 1 28 1 3.7943 bmse011080 1 29 1 0.9489 bmse011080 1 30 1 0.9416 bmse011080 1 31 1 0.9288 bmse011080 1 32 1 1.8924 bmse011080 1 33 1 1.8889 bmse011080 1 34 1 1.8827 bmse011080 1 35 1 1.8812 bmse011080 1 36 1 1.8721 bmse011080 1 stop_ save_