﻿<?xml version="1.0" encoding="utf-8"?>
<srm_settings format_version="20.1" software_version="Skyline (64-bit) 20.1.0.31 (f09d9bed5)">
  <settings_summary name="デフォルト">
    <peptide_settings>
      <enzyme name="Trypsin" cut="KR" no_cut="P" sense="C" />
      <digest_settings max_missed_cleavages="0" />
      <peptide_prediction use_measured_rts="true" measured_rt_window="10" use_spectral_library_drift_times="false" spectral_library_drift_times_peak_width_calc_type="resolving_power" spectral_library_drift_times_resolving_power="0" spectral_library_drift_times_width_at_dt_zero="0" spectral_library_drift_times_width_at_dt_max="0" />
      <peptide_filter start="0" min_length="6" max_length="25" auto_select="true">
        <peptide_exclusions>
          <exclusion name="Met" regex="[M]" />
        </peptide_exclusions>
      </peptide_filter>
      <peptide_libraries pick="library" />
      <peptide_modifications max_variable_mods="3" max_neutral_losses="1">
        <static_modifications>
          <static_modification name="label R 13C(6) 15N(4)" aminoacid="R" variable="true" formula="C'6N'4-C6N4" />
          <static_modification name="label K 13C(6) 15N(2)" aminoacid="K" variable="true" formula="C'6N'2-C6N2" />
          <static_modification name="Carbamidomethyl (C)" aminoacid="C" formula="H3C2NO" unimod_id="4" short_name="CAM" />
        </static_modifications>
        <heavy_modifications>
          <static_modification name="Label:13C(6)15N(4) (C-term R)" aminoacid="R" terminus="C" label_13C="true" label_15N="true" />
          <static_modification name="Label:13C(6)15N(2) (C-term K)" aminoacid="K" terminus="C" label_13C="true" label_15N="true" />
        </heavy_modifications>
      </peptide_modifications>
    </peptide_settings>
    <transition_settings>
      <transition_prediction precursor_mass_type="Monoisotopic" fragment_mass_type="Monoisotopic" optimize_by="None">
        <predict_collision_energy name="Shimadzu QQQ" step_size="1" step_count="5">
          <regression_ce charge="2" slope="0.04" intercept="-0.5082" />
          <regression_ce charge="3" slope="0.037" intercept="-0.8368" />
        </predict_collision_energy>
      </transition_prediction>
      <transition_filter precursor_charges="2,3" product_charges="1,2" precursor_adducts="[M-3H],[M-2H],[M-H],[M-],[M+H],[M+],[M+2H],[M+3H]" product_adducts="[M-3],[M-2],[M-],[M+],[M+2],[M+3]" fragment_types="y,b" small_molecule_fragment_types="f" fragment_range_first="ion 2" fragment_range_last="last ion" precursor_mz_window="0" auto_select="true">
        <measured_ion name="N-terminal to Proline" cut="P" sense="N" min_length="3" />
      </transition_filter>
      <transition_libraries ion_match_tolerance="0.5" min_ion_count="0" ion_count="3" pick_from="all" />
      <transition_integration />
      <transition_instrument min_mz="50" max_mz="1500" mz_match_tolerance="0.055" />
    </transition_settings>
    <data_settings document_guid="4a6efb2e-d3e8-4e3d-9d17-d0e1456f4ee1" />
    <measured_results time_normal_area="true">
      <replicate name="rpmB_13C">
        <sample_file id="rpmB_13C_f0" file_path="C:\Users\81809\Dropbox\共有：プロトコル MS 8060（law data &amp; methods)\Mori\190228\1_rpmB001.lcd" sample_name="1_rpmB001" modified_time="2019-02-27T17:26:49">
          <instrument_info_list>
            <instrument_info>
              <model>Shimadzu instrument model</model>
              <ionsource>electrospray ionization</ionsource>
              <analyzer>quadrupole/quadrupole/quadrupole</analyzer>
              <detector>conversion dynode electron multiplier</detector>
            </instrument_info>
          </instrument_info_list>
        </sample_file>
      </replicate>
    </measured_results>
  </settings_summary>
  <protein name="sp|P0A7M2|RL28_ECOLI" description="50S ribosomal protein L28 OS=Escherichia coli (strain K12) GN=rpmB PE=1 SV=2" accession="P0A7M2" gene="rpmB" species="Escherichia coli (strain K12)" preferred_name="RL28_ECOLI" websearch_status="X" auto_manage_children="false">
    <sequence>
        SRVCQVTGKR PVTGNNRSHA LNATKRRFLP NLHSHRFWVE SEKRFVTLRV
        SAKGMRVIDK KGIDTVLAEL RARGEKY</sequence>
    <peptide auto_manage_children="false" sequence="FLPNLHSHR" modified_sequence="FLPNLHSHR" start="27" end="36" prev_aa="R" next_aa="F" calc_neutral_pep_mass="1119.593761" num_missed_cleavages="0" avg_measured_retention_time="23.7437325">
      <implicit_modifications>
        <implicit_heavy_modifications>
          <implicit_modification index_aa="8" modification_name="Label:13C(6)15N(4) (C-term R)" mass_diff="+10" />
        </implicit_heavy_modifications>
      </implicit_modifications>
      <peptide_results>
        <peptide_result replicate="rpmB_13C" peak_count_ratio="1" retention_time="23.7437325" />
      </peptide_results>
      <precursor charge="3" calc_neutral_mass="1119.593761" precursor_mz="374.205196" auto_manage_children="false" collision_energy="13.008792" modified_sequence="FLPNLHSHR">
        <precursor_results>
          <precursor_peak replicate="rpmB_13C" peak_count_ratio="1" retention_time="23.7370663" start_time="23.5904" end_time="24.1670666" fwhm="0.0858574659" area="27559458" background="108850.633" height="4033365" truncated="0" identified="false" user_set="TRUE" />
        </precursor_results>
        <transition fragment_type="y" fragment_ordinal="7" calc_neutral_mass="859.441283" product_charge="2" cleavage_aa="P" loss_neutral_mass="0">
          <precursor_mz>374.205196</precursor_mz>
          <product_mz>430.727918</product_mz>
          <collision_energy>13.008792</collision_energy>
          <transition_results>
            <transition_peak replicate="rpmB_13C" retention_time="23.7370663" start_time="23.5904" end_time="24.1670666" area="27559458" background="108850.633" height="4033365" fwhm="0.0858574659" truncated="false" identified="false" rank="1" points_across="270" user_set="TRUE" />
          </transition_results>
        </transition>
      </precursor>
      <precursor charge="3" isotope_label="heavy" calc_neutral_mass="1129.60203" precursor_mz="377.541286" auto_manage_children="false" collision_energy="13.008792" modified_sequence="FLPNLHSHR[+10.0]">
        <precursor_results>
          <precursor_peak replicate="rpmB_13C" peak_count_ratio="1" retention_time="23.7504" start_time="23.5904" end_time="24.1670666" fwhm="0.07394931" area="10937395" background="55547.6133" height="1573110.25" truncated="0" identified="false" user_set="TRUE" />
        </precursor_results>
        <transition fragment_type="y" fragment_ordinal="7" calc_neutral_mass="869.449552" product_charge="2" cleavage_aa="P" loss_neutral_mass="0">
          <precursor_mz>377.541286</precursor_mz>
          <product_mz>435.732052</product_mz>
          <collision_energy>13.008792</collision_energy>
          <transition_results>
            <transition_peak replicate="rpmB_13C" retention_time="23.7504" start_time="23.5904" end_time="24.1670666" area="10937395" background="55547.6133" height="1573110.25" fwhm="0.07394931" truncated="false" identified="false" rank="1" points_across="271" user_set="TRUE" />
          </transition_results>
        </transition>
      </precursor>
    </peptide>
    <peptide auto_manage_children="false" sequence="GIDTVLAELR" modified_sequence="GIDTVLAELR" start="61" end="71" prev_aa="K" next_aa="A" calc_neutral_pep_mass="1085.608074" num_missed_cleavages="0" avg_measured_retention_time="33.7406654">
      <implicit_modifications>
        <implicit_heavy_modifications>
          <implicit_modification index_aa="9" modification_name="Label:13C(6)15N(4) (C-term R)" mass_diff="+10" />
        </implicit_heavy_modifications>
      </implicit_modifications>
      <peptide_results>
        <peptide_result replicate="rpmB_13C" peak_count_ratio="1" retention_time="33.7406654" />
      </peptide_results>
      <precursor charge="2" calc_neutral_mass="1085.608074" precursor_mz="543.811313" auto_manage_children="false" collision_energy="21.244253" modified_sequence="GIDTVLAELR">
        <precursor_results>
          <precursor_peak replicate="rpmB_13C" peak_count_ratio="1" retention_time="33.744" start_time="33.574" end_time="34.2973328" fwhm="0.08058329" area="2.944451E+07" background="150087.859" height="4813256" truncated="0" identified="false" user_set="TRUE" />
        </precursor_results>
        <transition fragment_type="y" fragment_ordinal="5" calc_neutral_mass="600.359511" product_charge="1" cleavage_aa="L" loss_neutral_mass="0">
          <precursor_mz>543.811313</precursor_mz>
          <product_mz>601.366787</product_mz>
          <collision_energy>21.244253</collision_energy>
          <transition_results>
            <transition_peak replicate="rpmB_13C" retention_time="33.744" start_time="33.574" end_time="34.2973328" area="2.944451E+07" background="150087.859" height="4813256" fwhm="0.08058329" truncated="false" identified="false" rank="1" points_across="904" user_set="TRUE" />
          </transition_results>
        </transition>
      </precursor>
      <precursor charge="2" isotope_label="heavy" calc_neutral_mass="1095.616343" precursor_mz="548.815447" auto_manage_children="false" collision_energy="21.244253" modified_sequence="GIDTVLAELR[+10.0]">
        <precursor_results>
          <precursor_peak replicate="rpmB_13C" peak_count_ratio="1" retention_time="33.73733" start_time="33.574" end_time="34.2973328" fwhm="0.06312194" area="11261089" background="73405.54" height="2243621" truncated="0" identified="false" user_set="TRUE" />
        </precursor_results>
        <transition fragment_type="y" fragment_ordinal="5" calc_neutral_mass="610.36778" product_charge="1" cleavage_aa="L" loss_neutral_mass="0">
          <precursor_mz>548.815447</precursor_mz>
          <product_mz>611.375056</product_mz>
          <collision_energy>21.244253</collision_energy>
          <transition_results>
            <transition_peak replicate="rpmB_13C" retention_time="33.73733" start_time="33.574" end_time="34.2973328" area="11261089" background="73405.54" height="2243621" fwhm="0.06312194" truncated="false" identified="false" rank="1" points_across="904" user_set="TRUE" />
          </transition_results>
        </transition>
      </precursor>
    </peptide>
  </protein>
</srm_settings>