######################### # 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 bmse011594 _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 bmse011594 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 bmse011594 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011594 1 3 bmse011594 1 4 bmse011594 1 5 bmse011594 1 6 bmse011594 1 7 bmse011594 1 9 bmse011594 1 10 bmse011594 1 11 bmse011594 1 12 bmse011594 1 14 bmse011594 1 15 bmse011594 1 16 bmse011594 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 6.8320 dd_1H bmse011594 1 2 1 2.6027 DMSO bmse011594 1 3 1 3.8249 m_3H_Q1 bmse011594 1 4 1 7.6855 m_1H bmse011594 1 5 1 2.9627 m_1H bmse011594 1 6 1 8.0291 dd_1H bmse011594 1 7 1 3.5304 m_2H bmse011594 1 8 1 2.7164 Imp2 bmse011594 1 9 1 4.6500 SUP bmse011594 1 10 1 4.0133 dd_1H bmse011594 1 11 1 3.6801 m_1H bmse011594 1 12 1 3.3267 s_3H bmse011594 1 13 1 6.9192 m_1H bmse011594 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 6.9325 bmse011594 1 2 1 1 5.6120 bmse011594 1 3 2 1 1.8156 bmse011594 1 4 3 1 3.4846 bmse011594 1 5 4 1 2.9711 bmse011594 1 6 5 1 5.6560 bmse011594 1 7 6 1 5.2269 bmse011594 1 8 6 1 1.2655 bmse011594 1 9 7 1 6.2722 bmse011594 1 10 8 1 0.0000 bmse011594 1 11 9 1 0.0000 bmse011594 1 12 10 1 10.0136 bmse011594 1 13 10 1 1.7606 bmse011594 1 14 11 1 5.2599 bmse011594 1 15 12 1 0.0000 bmse011594 1 16 13 1 8.8031 bmse011594 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011594 1 2 bmse011594 1 3 bmse011594 1 4 bmse011594 1 5 bmse011594 1 6 bmse011594 1 7 bmse011594 1 8 bmse011594 1 9 bmse011594 1 10 bmse011594 1 11 bmse011594 1 12 bmse011594 1 13 bmse011594 1 14 bmse011594 1 15 bmse011594 1 16 bmse011594 1 17 bmse011594 1 18 bmse011594 1 19 bmse011594 1 20 bmse011594 1 21 bmse011594 1 22 bmse011594 1 23 bmse011594 1 24 bmse011594 1 25 bmse011594 1 26 bmse011594 1 27 bmse011594 1 28 bmse011594 1 29 bmse011594 1 30 bmse011594 1 31 bmse011594 1 32 bmse011594 1 33 bmse011594 1 34 bmse011594 1 35 bmse011594 1 36 bmse011594 1 37 bmse011594 1 38 bmse011594 1 39 bmse011594 1 40 bmse011594 1 41 bmse011594 1 42 bmse011594 1 43 bmse011594 1 44 bmse011594 1 45 bmse011594 1 46 bmse011594 1 47 bmse011594 1 48 bmse011594 1 49 bmse011594 1 50 bmse011594 1 51 bmse011594 1 52 bmse011594 1 53 bmse011594 1 54 bmse011594 1 55 bmse011594 1 56 bmse011594 1 57 bmse011594 1 58 bmse011594 1 59 bmse011594 1 60 bmse011594 1 61 bmse011594 1 62 bmse011594 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 6.8424 bmse011594 1 2 1 6.8329 bmse011594 1 3 1 6.8307 bmse011594 1 4 1 6.8215 bmse011594 1 5 1 2.5967 bmse011594 1 6 1 2.5996 bmse011594 1 7 1 2.6027 bmse011594 1 8 1 2.6058 bmse011594 1 9 1 2.6088 bmse011594 1 10 1 3.8597 bmse011594 1 11 1 3.8563 bmse011594 1 12 1 3.8559 bmse011594 1 13 1 3.8379 bmse011594 1 14 1 3.8352 bmse011594 1 15 1 3.8278 bmse011594 1 16 1 3.8223 bmse011594 1 17 1 3.8176 bmse011594 1 18 1 3.8126 bmse011594 1 19 1 3.8053 bmse011594 1 20 1 3.7996 bmse011594 1 21 1 3.7952 bmse011594 1 22 1 3.7901 bmse011594 1 23 1 7.7003 bmse011594 1 24 1 7.6972 bmse011594 1 25 1 7.6882 bmse011594 1 26 1 7.6855 bmse011594 1 27 1 7.6827 bmse011594 1 28 1 7.6737 bmse011594 1 29 1 7.6706 bmse011594 1 30 1 2.9863 bmse011594 1 31 1 2.9802 bmse011594 1 32 1 2.9663 bmse011594 1 33 1 2.9604 bmse011594 1 34 1 2.9450 bmse011594 1 35 1 2.9392 bmse011594 1 36 1 8.0345 bmse011594 1 37 1 8.0325 bmse011594 1 38 1 8.0259 bmse011594 1 39 1 8.0237 bmse011594 1 40 1 3.5669 bmse011594 1 41 1 3.5614 bmse011594 1 42 1 3.5486 bmse011594 1 43 1 3.5433 bmse011594 1 44 1 3.5229 bmse011594 1 45 1 3.5119 bmse011594 1 46 1 3.5046 bmse011594 1 47 1 3.4938 bmse011594 1 48 1 2.7164 bmse011594 1 49 1 4.6500 bmse011594 1 50 1 4.0231 bmse011594 1 51 1 4.0196 bmse011594 1 52 1 4.0059 bmse011594 1 53 1 4.0035 bmse011594 1 54 1 3.7021 bmse011594 1 55 1 3.6975 bmse011594 1 56 1 3.6824 bmse011594 1 57 1 3.6779 bmse011594 1 58 1 3.6628 bmse011594 1 59 1 3.6582 bmse011594 1 60 1 3.3267 bmse011594 1 61 1 6.9119 bmse011594 1 62 1 6.9266 bmse011594 1 stop_ save_