﻿<?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="b,y" 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="5ea3916d-f30c-4431-9cb9-0aef4218a8e3" />
    <measured_results time_normal_area="true">
      <replicate name="rpmG_13C">
        <sample_file id="rpmG_13C_f0" file_path="C:\Users\81809\Dropbox\共有：プロトコル MS 8060（law data &amp; methods)\Mori\190228\3_rpmG.lcd" sample_name="3_rpmG" modified_time="2019-02-27T20:12:26">
          <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|P0A7N9|RL33_ECOLI" description="50S ribosomal protein L33 OS=Escherichia coli (strain K12) GN=rpmG PE=1 SV=2" accession="P0A7N9" gene="rpmG" species="Escherichia coli (strain K12)" preferred_name="RL33_ECOLI" websearch_status="X" auto_manage_children="false">
    <sequence>
        AKGIREKIKL VSSAGTGHFY TTTKNKRTKP EKLELKKFDP VVRQHVIYKE
        AKIK</sequence>
    <peptide auto_manage_children="false" sequence="LVSSAGTGHFYTTTK" modified_sequence="LVSSAGTGHFYTTTK" start="9" end="24" prev_aa="K" next_aa="N" calc_neutral_pep_mass="1568.783472" num_missed_cleavages="0" avg_measured_retention_time="23.8916664">
      <implicit_modifications>
        <implicit_heavy_modifications>
          <implicit_modification index_aa="14" modification_name="Label:13C(6)15N(2) (C-term K)" mass_diff="+8" />
        </implicit_heavy_modifications>
      </implicit_modifications>
      <peptide_results>
        <peptide_result replicate="rpmG_13C" peak_count_ratio="1" retention_time="23.8916664" />
      </peptide_results>
      <precursor charge="2" calc_neutral_mass="1568.783472" precursor_mz="785.399012" auto_manage_children="false" collision_energy="30.90776" modified_sequence="LVSSAGTGHFYTTTK">
        <precursor_results>
          <precursor_peak replicate="rpmG_13C" peak_count_ratio="1" retention_time="23.8966656" start_time="23.7566662" end_time="24.2033329" fwhm="0.0770481154" area="129811.227" background="0" height="22430.5117" truncated="0" identified="false" user_set="TRUE" />
        </precursor_results>
        <transition fragment_type="y" fragment_ordinal="10" calc_neutral_mass="1111.529824" product_charge="1" cleavage_aa="G" loss_neutral_mass="0">
          <precursor_mz>785.399012</precursor_mz>
          <product_mz>1112.5371</product_mz>
          <collision_energy>30.90776</collision_energy>
          <transition_results>
            <transition_peak replicate="rpmG_13C" retention_time="23.8966656" start_time="23.7566662" end_time="24.2033329" area="129811.227" background="0" height="22430.5117" fwhm="0.0770481154" truncated="false" identified="false" rank="1" points_across="373" user_set="TRUE" />
          </transition_results>
        </transition>
      </precursor>
      <precursor charge="2" isotope_label="heavy" calc_neutral_mass="1576.797671" precursor_mz="789.406112" auto_manage_children="false" collision_energy="30.90776" modified_sequence="LVSSAGTGHFYTTTK[+8.0]">
        <precursor_results>
          <precursor_peak replicate="rpmG_13C" peak_count_ratio="1" retention_time="23.8866673" start_time="23.7566662" end_time="24.2033329" fwhm="0.08589074" area="330085.2" background="0" height="55521.5547" truncated="0" identified="false" user_set="TRUE" />
        </precursor_results>
        <transition fragment_type="y" fragment_ordinal="10" calc_neutral_mass="1119.544023" product_charge="1" cleavage_aa="G" loss_neutral_mass="0">
          <precursor_mz>789.406112</precursor_mz>
          <product_mz>1120.551299</product_mz>
          <collision_energy>30.90776</collision_energy>
          <transition_results>
            <transition_peak replicate="rpmG_13C" retention_time="23.8866673" start_time="23.7566662" end_time="24.2033329" area="330085.2" background="0" height="55521.5547" fwhm="0.08589074" truncated="false" identified="false" rank="1" points_across="374" user_set="TRUE" />
          </transition_results>
        </transition>
      </precursor>
    </peptide>
    <peptide auto_manage_children="false" sequence="FDPVVR" modified_sequence="FDPVVR" start="37" end="43" prev_aa="K" next_aa="Q" calc_neutral_pep_mass="731.396625" num_missed_cleavages="0" avg_measured_retention_time="25.0666656">
      <implicit_modifications>
        <implicit_heavy_modifications>
          <implicit_modification index_aa="5" modification_name="Label:13C(6)15N(4) (C-term R)" mass_diff="+10" />
        </implicit_heavy_modifications>
      </implicit_modifications>
      <peptide_results>
        <peptide_result replicate="rpmG_13C" peak_count_ratio="1" retention_time="25.0666656" />
      </peptide_results>
      <precursor charge="2" calc_neutral_mass="731.396625" precursor_mz="366.705588" auto_manage_children="false" collision_energy="14.160024" modified_sequence="FDPVVR">
        <precursor_results>
          <precursor_peak replicate="rpmG_13C" peak_count_ratio="1" retention_time="25.06" start_time="24.91" end_time="25.5666676" fwhm="0.08690953" area="1851895.75" background="50932.31" height="291962.031" truncated="0" identified="false" user_set="TRUE" />
        </precursor_results>
        <transition fragment_type="b" fragment_ordinal="2" calc_neutral_mass="262.095357" product_charge="1" cleavage_aa="D" loss_neutral_mass="0">
          <precursor_mz>366.705588</precursor_mz>
          <product_mz>263.102633</product_mz>
          <collision_energy>14.160024</collision_energy>
          <transition_results>
            <transition_peak replicate="rpmG_13C" retention_time="25.06" start_time="24.91" end_time="25.5666676" area="1851895.75" background="50932.31" height="291962.031" fwhm="0.08690953" truncated="false" identified="false" rank="1" points_across="352" user_set="TRUE" />
          </transition_results>
        </transition>
      </precursor>
      <precursor charge="2" isotope_label="heavy" calc_neutral_mass="741.404894" precursor_mz="371.709723" auto_manage_children="false" collision_energy="14.160024" modified_sequence="FDPVVR[+10.0]">
        <precursor_results>
          <precursor_peak replicate="rpmG_13C" peak_count_ratio="1" retention_time="25.0733337" start_time="24.91" end_time="25.5666676" fwhm="0.100226283" area="4752187" background="88882.63" height="696185.25" truncated="0" identified="false" user_set="TRUE" />
        </precursor_results>
        <transition fragment_type="b" fragment_ordinal="2" calc_neutral_mass="262.095357" product_charge="1" cleavage_aa="D" loss_neutral_mass="0">
          <precursor_mz>371.709723</precursor_mz>
          <product_mz>263.102633</product_mz>
          <collision_energy>14.160024</collision_energy>
          <transition_results>
            <transition_peak replicate="rpmG_13C" retention_time="25.0733337" start_time="24.91" end_time="25.5666676" area="4752187" background="88882.63" height="696185.25" fwhm="0.100226283" truncated="false" identified="false" rank="1" points_across="351" user_set="TRUE" />
          </transition_results>
        </transition>
      </precursor>
    </peptide>
  </protein>
</srm_settings>