######################### # 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 bmse011146 _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 bmse011146 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 bmse011146 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011146 1 2 bmse011146 1 3 bmse011146 1 4 bmse011146 1 5 bmse011146 1 6 bmse011146 1 7 bmse011146 1 8 bmse011146 1 9 bmse011146 1 10 bmse011146 1 11 bmse011146 1 12 bmse011146 1 13 bmse011146 1 14 bmse011146 1 15 bmse011146 1 16 bmse011146 1 18 bmse011146 1 19 bmse011146 1 20 bmse011146 1 21 bmse011146 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 2.7166 Imp2 bmse011146 1 2 1 8.0192 m_4H_Q1 bmse011146 1 3 1 7.6148 t_4H bmse011146 1 4 1 0.9916 m_4H bmse011146 1 5 1 2.4850 Imp1 bmse011146 1 6 1 2.9221 d_1H bmse011146 1 7 1 2.6026 DMSO bmse011146 1 8 1 8.1655 m_4H bmse011146 1 9 1 3.5680 q_1H bmse011146 1 10 1 3.2697 s_1H bmse011146 1 11 1 2.7901 m_9H bmse011146 1 12 1 3.1243 m_3H bmse011146 1 13 1 7.3763 m_1H bmse011146 1 14 1 1.8105 m_3H bmse011146 1 15 1 3.0428 m_6H bmse011146 1 16 1 8.7521 dd_3H bmse011146 1 17 1 1.0907 m_2H bmse011146 1 18 1 7.5276 m_12H bmse011146 1 19 1 8.3526 m_4H bmse011146 1 20 1 7.8654 d_12H bmse011146 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 bmse011146 1 2 2 1 8.9132 bmse011146 1 3 3 1 7.3176 bmse011146 1 4 4 1 4.8417 bmse011146 1 5 5 1 0.0000 bmse011146 1 6 6 1 6.1622 bmse011146 1 7 7 1 1.8982 bmse011146 1 8 8 1 0.0000 bmse011146 1 9 9 1 7.1159 bmse011146 1 10 10 1 0.0000 bmse011146 1 11 11 1 0.0000 bmse011146 1 12 12 1 6.4556 bmse011146 1 13 13 1 6.0888 bmse011146 1 14 14 1 5.8541 bmse011146 1 15 15 1 4.2778 bmse011146 1 16 16 1 4.3466 bmse011146 1 17 16 1 1.2655 bmse011146 1 18 17 1 4.0990 bmse011146 1 19 18 1 4.0164 bmse011146 1 20 19 1 8.4730 bmse011146 1 21 20 1 6.9325 bmse011146 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011146 1 2 bmse011146 1 3 bmse011146 1 4 bmse011146 1 5 bmse011146 1 6 bmse011146 1 7 bmse011146 1 8 bmse011146 1 9 bmse011146 1 10 bmse011146 1 11 bmse011146 1 12 bmse011146 1 13 bmse011146 1 14 bmse011146 1 15 bmse011146 1 16 bmse011146 1 17 bmse011146 1 18 bmse011146 1 19 bmse011146 1 20 bmse011146 1 21 bmse011146 1 22 bmse011146 1 23 bmse011146 1 24 bmse011146 1 25 bmse011146 1 26 bmse011146 1 27 bmse011146 1 28 bmse011146 1 29 bmse011146 1 30 bmse011146 1 31 bmse011146 1 32 bmse011146 1 33 bmse011146 1 34 bmse011146 1 35 bmse011146 1 36 bmse011146 1 37 bmse011146 1 38 bmse011146 1 39 bmse011146 1 40 bmse011146 1 41 bmse011146 1 42 bmse011146 1 43 bmse011146 1 44 bmse011146 1 45 bmse011146 1 46 bmse011146 1 47 bmse011146 1 48 bmse011146 1 49 bmse011146 1 50 bmse011146 1 51 bmse011146 1 52 bmse011146 1 53 bmse011146 1 54 bmse011146 1 55 bmse011146 1 56 bmse011146 1 57 bmse011146 1 58 bmse011146 1 59 bmse011146 1 60 bmse011146 1 61 bmse011146 1 62 bmse011146 1 63 bmse011146 1 64 bmse011146 1 65 bmse011146 1 66 bmse011146 1 67 bmse011146 1 68 bmse011146 1 69 bmse011146 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 2.7166 bmse011146 1 2 1 8.0118 bmse011146 1 3 1 8.0267 bmse011146 1 4 1 7.6026 bmse011146 1 5 1 7.6151 bmse011146 1 6 1 7.6270 bmse011146 1 7 1 1.0037 bmse011146 1 8 1 0.9916 bmse011146 1 9 1 0.9880 bmse011146 1 10 1 0.9795 bmse011146 1 11 1 2.4850 bmse011146 1 12 1 2.9170 bmse011146 1 13 1 2.9272 bmse011146 1 14 1 2.5963 bmse011146 1 15 1 2.5998 bmse011146 1 16 1 2.6029 bmse011146 1 17 1 2.6058 bmse011146 1 18 1 2.6089 bmse011146 1 19 1 8.1655 bmse011146 1 20 1 3.5502 bmse011146 1 21 1 3.5622 bmse011146 1 22 1 3.5739 bmse011146 1 23 1 3.5858 bmse011146 1 24 1 3.2697 bmse011146 1 25 1 2.7901 bmse011146 1 26 1 3.1405 bmse011146 1 27 1 3.1298 bmse011146 1 28 1 3.1192 bmse011146 1 29 1 3.1082 bmse011146 1 30 1 7.4068 bmse011146 1 31 1 7.3936 bmse011146 1 32 1 7.3816 bmse011146 1 33 1 7.3675 bmse011146 1 34 1 7.3602 bmse011146 1 35 1 7.3532 bmse011146 1 36 1 7.3459 bmse011146 1 37 1 1.8349 bmse011146 1 38 1 1.8308 bmse011146 1 39 1 1.8237 bmse011146 1 40 1 1.8103 bmse011146 1 41 1 1.7973 bmse011146 1 42 1 1.7861 bmse011146 1 43 1 3.0713 bmse011146 1 44 1 3.0618 bmse011146 1 45 1 3.0581 bmse011146 1 46 1 3.0543 bmse011146 1 47 1 3.0448 bmse011146 1 48 1 3.0350 bmse011146 1 49 1 3.0270 bmse011146 1 50 1 3.0184 bmse011146 1 51 1 3.0143 bmse011146 1 52 1 8.7568 bmse011146 1 53 1 8.7547 bmse011146 1 54 1 8.7496 bmse011146 1 55 1 8.7474 bmse011146 1 56 1 1.1044 bmse011146 1 57 1 1.0927 bmse011146 1 58 1 1.0873 bmse011146 1 59 1 1.0807 bmse011146 1 60 1 1.0771 bmse011146 1 61 1 7.5410 bmse011146 1 62 1 7.5347 bmse011146 1 63 1 7.5276 bmse011146 1 64 1 7.5208 bmse011146 1 65 1 7.5142 bmse011146 1 66 1 8.3455 bmse011146 1 67 1 8.3596 bmse011146 1 68 1 7.8596 bmse011146 1 69 1 7.8712 bmse011146 1 stop_ save_