﻿<?xml version="1.0" encoding="utf-8"?>
<srm_settings format_version="19.1" software_version="Skyline (64-bit) 19.1.0.193">
  <settings_summary name="Default">
    <peptide_settings>
      <enzyme name="Trypsin" cut="KR" no_cut="P" sense="C" />
      <digest_settings max_missed_cleavages="2" />
      <peptide_prediction use_measured_rts="false" measured_rt_window="5" 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">
        <predict_retention_time name="iRT" time_window="10">
          <irt_calculator name="iRT" database_path="D:\MS_DATA_HFX\iRT2to30.irtdb" />
        </predict_retention_time>
      </peptide_prediction>
      <peptide_filter start="25" min_length="8" max_length="25" auto_select="true">
        <peptide_exclusions />
      </peptide_filter>
      <peptide_libraries pick="library" />
      <peptide_modifications max_variable_mods="3" max_neutral_losses="1" internal_standard="none">
        <static_modifications>
          <static_modification name="Carbamidomethyl (C)" aminoacid="C" formula="H3C2NO" unimod_id="4" short_name="CAM" />
          <static_modification name="Deamidated (NQ)" aminoacid="N, Q" variable="true" formula="O - HN" unimod_id="7" short_name="Dea" />
          <static_modification name="Oxidation (M)" aminoacid="M" variable="true" formula="O" unimod_id="35" short_name="Oxi">
            <potential_loss formula="H4COS" massdiff_monoisotopic="63.998285" massdiff_average="64.10701" />
          </static_modification>
        </static_modifications>
        <heavy_modifications />
      </peptide_modifications>
      <quantification weighting="none" fit="none" normalization="none" ms_level="2" units="pmol" />
    </peptide_settings>
    <transition_settings>
      <transition_prediction precursor_mass_type="Monoisotopic" fragment_mass_type="Monoisotopic" optimize_by="None">
        <predict_collision_energy name="Thermo TSQ Ultra" step_size="1" step_count="5">
          <regression_ce charge="2" slope="0.036" intercept="0.954" />
          <regression_ce charge="3" slope="0.037" intercept="3.525" />
        </predict_collision_energy>
      </transition_prediction>
      <transition_filter precursor_charges="2" product_charges="1" 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="p,b,y" small_molecule_fragment_types="f,p" fragment_range_first="(m/z &gt; precursor) - 1" fragment_range_last="last ion - 3" precursor_mz_window="0" auto_select="true">
        <measured_ion name="TMT-131" ion_formula="C4C'4H16N'" mass_monoisotopic="131.1387288096" mass_average="131.1839682496" charge="1" optional="true" />
      </transition_filter>
      <transition_libraries ion_match_tolerance="0.05" min_ion_count="0" ion_count="6" pick_from="none" />
      <transition_integration integrate_all="true" />
      <transition_instrument dynamic_min="true" min_mz="350" max_mz="1550" mz_match_tolerance="0.02" />
      <transition_full_scan acquisition_method="DDA" product_mass_analyzer="orbitrap" product_res="7500" product_res_mz="400" precursor_isotopes="Count" precursor_isotope_filter="4" precursor_mass_analyzer="orbitrap" precursor_res="60000" precursor_res_mz="400" selective_extraction="true" retention_time_filter_type="scheduling_windows" retention_time_filter_length="4">
        <isotope_enrichments name="Default">
          <atom_percent_enrichment symbol="H'">0.98</atom_percent_enrichment>
          <atom_percent_enrichment symbol="C'">0.995</atom_percent_enrichment>
          <atom_percent_enrichment symbol="N'">0.995</atom_percent_enrichment>
          <atom_percent_enrichment symbol="O&quot;">0.99</atom_percent_enrichment>
          <atom_percent_enrichment symbol="O'">0.99</atom_percent_enrichment>
        </isotope_enrichments>
      </transition_full_scan>
    </transition_settings>
    <data_settings document_guid="45857212-5dda-4d93-81ac-eab86ae5aefc">
      <annotation name="Hela digest (ug)" targets="replicate" type="value_list">
        <value>1</value>
        <value>2</value>
      </annotation>
      <annotation name="PPRT (fmol)" targets="replicate" type="value_list">
        <value>250</value>
        <value>500</value>
        <value>1000</value>
      </annotation>
    </data_settings>
    <measured_results time_normal_area="true">
      <replicate name="20220211_WP_HelaQC_500ng_1">
        <sample_file id="_20220211_WP_HelaQC_500ng_1_f0" file_path="D:\MS_DATA_HFX\20220211_WP_HelaQC_500ng_1.raw" sample_name="20220211_WP_HelaQC_500ng_1" acquired_time="2022-02-11T16:15:27" modified_time="2022-02-11T17:30:29" tic_area="858904657920" ion_mobility_type="compensation_V">
          <instrument_info_list>
            <instrument_info>
              <model>Q Exactive</model>
              <ionsource>nanoelectrospray</ionsource>
              <analyzer>quadrupole/orbitrap</analyzer>
              <detector>inductive detector</detector>
            </instrument_info>
          </instrument_info_list>
        </sample_file>
      </replicate>
      <replicate name="20220211_WP_HelaQC_500ng_2">
        <sample_file id="_20220211_WP_HelaQC_500ng_2_f0" file_path="D:\MS_DATA_HFX\20220211_WP_HelaQC_500ng_2.raw" sample_name="20220211_WP_HelaQC_500ng_2" acquired_time="2022-02-11T18:04:55" modified_time="2022-02-11T19:19:57" tic_area="809176989696" ion_mobility_type="compensation_V">
          <instrument_info_list>
            <instrument_info>
              <model>Q Exactive</model>
              <ionsource>nanoelectrospray</ionsource>
              <analyzer>quadrupole/orbitrap</analyzer>
              <detector>inductive detector</detector>
            </instrument_info>
          </instrument_info_list>
        </sample_file>
      </replicate>
      <replicate name="20220216_HFX_HelaQC_500ng_1">
        <sample_file id="_20220216_HFX_HelaQC_500ng_1_f0" file_path="D:\MS_DATA_HFX\20220216_HFX_HelaQC_500ng_1.raw" sample_name="20220216_HFX_HelaQC_500ng_1" acquired_time="2022-02-16T19:57:10" modified_time="2022-02-16T21:12:12" tic_area="734538694656" ion_mobility_type="compensation_V">
          <instrument_info_list>
            <instrument_info>
              <model>Q Exactive</model>
              <ionsource>nanoelectrospray</ionsource>
              <analyzer>quadrupole/orbitrap</analyzer>
              <detector>inductive detector</detector>
            </instrument_info>
          </instrument_info_list>
        </sample_file>
      </replicate>
      <replicate name="20220218_HFX_HelaQC_500ng_1">
        <sample_file id="_20220218_HFX_HelaQC_500ng_1_f0" file_path="D:\MS_DATA_HFX\20220218_HFX_HelaQC_500ng_1.raw" sample_name="20220218_HFX_HelaQC_500ng_1" acquired_time="2022-02-18T15:06:55" modified_time="2022-02-18T16:21:57" tic_area="799867076608" ion_mobility_type="compensation_V">
          <instrument_info_list>
            <instrument_info>
              <model>Q Exactive</model>
              <ionsource>nanoelectrospray</ionsource>
              <analyzer>quadrupole/orbitrap</analyzer>
              <detector>inductive detector</detector>
            </instrument_info>
          </instrument_info_list>
        </sample_file>
      </replicate>
      <replicate name="20220307_skinAIR_HelaQC_500ng_1">
        <sample_file id="_20220307_skinAIR_HelaQC_500ng_1_f0" file_path="D:\MS_DATA_HFX\20220307_skinAIR_HelaQC_500ng_1.raw" sample_name="20220307_skinAIR_HelaQC_500ng_1" acquired_time="2022-03-07T16:58:48" modified_time="2022-03-07T18:13:51" tic_area="1305682509824" ion_mobility_type="compensation_V">
          <instrument_info_list>
            <instrument_info>
              <model>Q Exactive</model>
              <ionsource>nanoelectrospray</ionsource>
              <analyzer>quadrupole/orbitrap</analyzer>
              <detector>inductive detector</detector>
            </instrument_info>
          </instrument_info_list>
        </sample_file>
      </replicate>
      <replicate name="20220307_skinAIR_HelaQC_500ng_2">
        <sample_file id="_20220307_skinAIR_HelaQC_500ng_2_f0" file_path="D:\MS_DATA_HFX\20220307_skinAIR_HelaQC_500ng_2.raw" sample_name="20220307_skinAIR_HelaQC_500ng_2" acquired_time="2022-03-07T18:48:20" modified_time="2022-03-07T20:03:23" tic_area="1321462792192" ion_mobility_type="compensation_V">
          <instrument_info_list>
            <instrument_info>
              <model>Q Exactive</model>
              <ionsource>nanoelectrospray</ionsource>
              <analyzer>quadrupole/orbitrap</analyzer>
              <detector>inductive detector</detector>
            </instrument_info>
          </instrument_info_list>
        </sample_file>
      </replicate>
      <replicate name="20220309_skinAIR_HelaQC_500ng_1">
        <sample_file id="_20220309_skinAIR_HelaQC_500ng_1_f0" file_path="D:\MS_DATA_HFX\20220309_skinAIR_HelaQC_500ng_1.raw" sample_name="20220309_skinAIR_HelaQC_500ng_1" acquired_time="2022-03-10T16:23:34" modified_time="2022-03-10T17:38:34" tic_area="1073865293824" ion_mobility_type="compensation_V">
          <instrument_info_list>
            <instrument_info>
              <model>Q Exactive</model>
              <ionsource>nanoelectrospray</ionsource>
              <analyzer>quadrupole/orbitrap</analyzer>
              <detector>inductive detector</detector>
            </instrument_info>
          </instrument_info_list>
        </sample_file>
      </replicate>
      <replicate name="20220309_skinAIR_HelaQC_500ng_2">
        <sample_file id="_20220309_skinAIR_HelaQC_500ng_2_f0" file_path="D:\MS_DATA_HFX\20220309_skinAIR_HelaQC_500ng_2.raw" sample_name="20220309_skinAIR_HelaQC_500ng_2" acquired_time="2022-03-10T18:15:36" modified_time="2022-03-10T19:30:38" tic_area="1076493352960" ion_mobility_type="compensation_V">
          <instrument_info_list>
            <instrument_info>
              <model>Q Exactive</model>
              <ionsource>nanoelectrospray</ionsource>
              <analyzer>quadrupole/orbitrap</analyzer>
              <detector>inductive detector</detector>
            </instrument_info>
          </instrument_info_list>
        </sample_file>
      </replicate>
      <replicate name="20220311_skinAIR_HelaQC_500ng_1">
        <sample_file id="_20220311_skinAIR_HelaQC_500ng_1_f0" file_path="D:\MS_DATA_HFX\20220311_skinAIR_HelaQC_500ng_1.raw" sample_name="20220311_skinAIR_HelaQC_500ng_1" acquired_time="2022-03-11T21:06:54" modified_time="2022-03-11T22:21:56" tic_area="1102934704128" ion_mobility_type="compensation_V">
          <instrument_info_list>
            <instrument_info>
              <model>Q Exactive</model>
              <ionsource>nanoelectrospray</ionsource>
              <analyzer>quadrupole/orbitrap</analyzer>
              <detector>inductive detector</detector>
            </instrument_info>
          </instrument_info_list>
        </sample_file>
      </replicate>
      <replicate name="20220313_skinAIR_HelaQC_500ng_1">
        <sample_file id="_20220313_skinAIR_HelaQC_500ng_1_f0" file_path="D:\MS_DATA_HFX\20220313_skinAIR_HelaQC_500ng_1.raw" sample_name="20220313_skinAIR_HelaQC_500ng_1" acquired_time="2022-03-13T12:14:30" modified_time="2022-03-13T13:29:32" tic_area="1144155930624" ion_mobility_type="compensation_V">
          <instrument_info_list>
            <instrument_info>
              <model>Q Exactive</model>
              <ionsource>nanoelectrospray</ionsource>
              <analyzer>quadrupole/orbitrap</analyzer>
              <detector>inductive detector</detector>
            </instrument_info>
          </instrument_info_list>
        </sample_file>
      </replicate>
      <replicate name="20220314_skinAIR_HelaQC_500ng">
        <sample_file id="_20220314_skinAIR_HelaQC_500ng_f0" file_path="D:\MS_DATA_HFX\20220314_skinAIR_HelaQC_500ng.raw" sample_name="20220314_skinAIR_HelaQC_500ng" acquired_time="2022-03-14T21:32:31" modified_time="2022-03-14T22:47:31" tic_area="695776903168" ion_mobility_type="compensation_V">
          <instrument_info_list>
            <instrument_info>
              <model>Q Exactive</model>
              <ionsource>nanoelectrospray</ionsource>
              <analyzer>quadrupole/orbitrap</analyzer>
              <detector>inductive detector</detector>
            </instrument_info>
          </instrument_info_list>
        </sample_file>
      </replicate>
      <replicate name="20220315_skinAIR_HelaQC_500ng_1">
        <sample_file id="_20220315_skinAIR_HelaQC_500ng_1_f0" file_path="D:\MS_DATA_HFX\20220315_skinAIR_HelaQC_500ng_1.raw" sample_name="20220315_skinAIR_HelaQC_500ng_1" acquired_time="2022-03-15T18:00:23" modified_time="2022-03-15T19:15:25" tic_area="1079764254720" ion_mobility_type="compensation_V">
          <instrument_info_list>
            <instrument_info>
              <model>Q Exactive</model>
              <ionsource>nanoelectrospray</ionsource>
              <analyzer>quadrupole/orbitrap</analyzer>
              <detector>inductive detector</detector>
            </instrument_info>
          </instrument_info_list>
        </sample_file>
      </replicate>
      <replicate name="20220315_skinAIR_HelaQC_500ng_2">
        <sample_file id="_20220315_skinAIR_HelaQC_500ng_2_f0" file_path="D:\MS_DATA_HFX\20220315_skinAIR_HelaQC_500ng_2.raw" sample_name="20220315_skinAIR_HelaQC_500ng_2" acquired_time="2022-03-15T19:51:21" modified_time="2022-03-15T21:06:23" tic_area="1064927625216" ion_mobility_type="compensation_V">
          <instrument_info_list>
            <instrument_info>
              <model>Q Exactive</model>
              <ionsource>nanoelectrospray</ionsource>
              <analyzer>quadrupole/orbitrap</analyzer>
              <detector>inductive detector</detector>
            </instrument_info>
          </instrument_info_list>
        </sample_file>
      </replicate>
      <replicate name="20220317_skinAIR_HelaQC_500ng_4">
        <sample_file id="_20220317_skinAIR_HelaQC_500ng_4_f0" file_path="D:\MS_DATA_HFX\20220317_skinAIR_HelaQC_500ng_4.raw" sample_name="20220317_skinAIR_HelaQC_500ng_4" acquired_time="2022-03-17T04:20:59" modified_time="2022-03-17T05:36:01" tic_area="836180836352" ion_mobility_type="compensation_V">
          <instrument_info_list>
            <instrument_info>
              <model>Q Exactive</model>
              <ionsource>nanoelectrospray</ionsource>
              <analyzer>quadrupole/orbitrap</analyzer>
              <detector>inductive detector</detector>
            </instrument_info>
          </instrument_info_list>
        </sample_file>
      </replicate>
      <replicate name="20220319_skinAIR_HelaQC_500ng_5">
        <sample_file id="_20220319_skinAIR_HelaQC_500ng_5_f0" file_path="D:\MS_DATA_HFX\20220319_skinAIR_HelaQC_500ng_5.raw" sample_name="20220319_skinAIR_HelaQC_500ng_5" acquired_time="2022-03-17T23:57:43" modified_time="2022-03-18T01:12:45" tic_area="269149650944" ion_mobility_type="compensation_V">
          <instrument_info_list>
            <instrument_info>
              <model>Q Exactive</model>
              <ionsource>nanoelectrospray</ionsource>
              <analyzer>quadrupole/orbitrap</analyzer>
              <detector>inductive detector</detector>
            </instrument_info>
          </instrument_info_list>
        </sample_file>
      </replicate>
      <replicate name="20220319_skinAIR_HelaQC_500ng_6">
        <sample_file id="_20220319_skinAIR_HelaQC_500ng_6_f0" file_path="D:\MS_DATA_HFX\20220319_skinAIR_HelaQC_500ng_6.raw" sample_name="20220319_skinAIR_HelaQC_500ng_6" acquired_time="2022-03-18T14:55:59" modified_time="2022-03-18T16:11:01" tic_area="1027450339328" ion_mobility_type="compensation_V">
          <instrument_info_list>
            <instrument_info>
              <model>Q Exactive</model>
              <ionsource>nanoelectrospray</ionsource>
              <analyzer>quadrupole/orbitrap</analyzer>
              <detector>inductive detector</detector>
            </instrument_info>
          </instrument_info_list>
        </sample_file>
      </replicate>
      <replicate name="20220329_HFX_HelaQC_500ng_1">
        <sample_file id="_20220329_HFX_HelaQC_500ng_1_f0" file_path="D:\MS_DATA_HFX\20220329_HFX_HelaQC_500ng_1.raw" sample_name="20220329_HFX_HelaQC_500ng_1" acquired_time="2022-03-29T23:56:50" modified_time="2022-03-30T01:11:52" tic_area="654180155392" ion_mobility_type="compensation_V">
          <instrument_info_list>
            <instrument_info>
              <model>Q Exactive</model>
              <ionsource>nanoelectrospray</ionsource>
              <analyzer>quadrupole/orbitrap</analyzer>
              <detector>inductive detector</detector>
            </instrument_info>
          </instrument_info_list>
        </sample_file>
      </replicate>
      <replicate name="20220331_HFX_HelaQC_500ng_1">
        <sample_file id="_20220331_HFX_HelaQC_500ng_1_f0" file_path="D:\MS_DATA_HFX\20220331_HFX_HelaQC_500ng_1.raw" sample_name="20220331_HFX_HelaQC_500ng_1" acquired_time="2022-04-01T03:36:38" modified_time="2022-04-01T04:51:40" tic_area="679849885696" ion_mobility_type="compensation_V">
          <instrument_info_list>
            <instrument_info>
              <model>Q Exactive</model>
              <ionsource>nanoelectrospray</ionsource>
              <analyzer>quadrupole/orbitrap</analyzer>
              <detector>inductive detector</detector>
            </instrument_info>
          </instrument_info_list>
        </sample_file>
      </replicate>
      <replicate name="20220331_HFX_HelaQC_500ng_2">
        <sample_file id="_20220331_HFX_HelaQC_500ng_2_f0" file_path="D:\MS_DATA_HFX\20220331_HFX_HelaQC_500ng_2.raw" sample_name="20220331_HFX_HelaQC_500ng_2" acquired_time="2022-04-01T05:27:48" modified_time="2022-04-01T06:42:48" tic_area="725412216832" ion_mobility_type="compensation_V">
          <instrument_info_list>
            <instrument_info>
              <model>Q Exactive</model>
              <ionsource>nanoelectrospray</ionsource>
              <analyzer>quadrupole/orbitrap</analyzer>
              <detector>inductive detector</detector>
            </instrument_info>
          </instrument_info_list>
        </sample_file>
      </replicate>
      <replicate name="20220401_HFX_HelaQC_500ng_1">
        <sample_file id="_20220401_HFX_HelaQC_500ng_1_f0" file_path="D:\MS_DATA_HFX\20220401_HFX_HelaQC_500ng_1.raw" sample_name="20220401_HFX_HelaQC_500ng_1" acquired_time="2022-04-01T15:08:49" modified_time="2022-04-01T16:23:52" tic_area="823704158208" ion_mobility_type="compensation_V">
          <instrument_info_list>
            <instrument_info>
              <model>Q Exactive</model>
              <ionsource>nanoelectrospray</ionsource>
              <analyzer>quadrupole/orbitrap</analyzer>
              <detector>inductive detector</detector>
            </instrument_info>
          </instrument_info_list>
        </sample_file>
      </replicate>
    </measured_results>
  </settings_summary>
  <peptide_list label_name="iRT Biognoys" websearch_status="X#Upeptides1" auto_manage_children="false">
    <peptide standard_type="iRT" sequence="LGGNEQVTR" modified_sequence="LGGNEQVTR" calc_neutral_pep_mass="972.498858" num_missed_cleavages="0" rt_calculator_score="2.1316282072803006E-14" predicted_retention_time="19.37" avg_measured_retention_time="19.5705013">
      <peptide_results>
        <peptide_result replicate="20220211_WP_HelaQC_500ng_1" peak_count_ratio="1" retention_time="19.382719" predicted_retention_time="19.13" />
        <peptide_result replicate="20220211_WP_HelaQC_500ng_2" peak_count_ratio="0.9" retention_time="18.583519" predicted_retention_time="18.79" />
        <peptide_result replicate="20220216_HFX_HelaQC_500ng_1" peak_count_ratio="0.8" retention_time="19.2680244" predicted_retention_time="19.08" />
        <peptide_result replicate="20220218_HFX_HelaQC_500ng_1" peak_count_ratio="0.7" retention_time="18.1580181" predicted_retention_time="18.14" />
        <peptide_result replicate="20220307_skinAIR_HelaQC_500ng_1" peak_count_ratio="1" retention_time="20.38173" predicted_retention_time="19.9" />
        <peptide_result replicate="20220307_skinAIR_HelaQC_500ng_2" peak_count_ratio="1" retention_time="20.12273" predicted_retention_time="19.83" />
        <peptide_result replicate="20220309_skinAIR_HelaQC_500ng_1" peak_count_ratio="1" retention_time="19.7675343" predicted_retention_time="19.42" />
        <peptide_result replicate="20220309_skinAIR_HelaQC_500ng_2" peak_count_ratio="1" retention_time="20.0524387" predicted_retention_time="19.6" />
        <peptide_result replicate="20220311_skinAIR_HelaQC_500ng_1" peak_count_ratio="1" retention_time="19.2791348" predicted_retention_time="19.02" />
        <peptide_result replicate="20220313_skinAIR_HelaQC_500ng_1" peak_count_ratio="1" retention_time="23.4009361" predicted_retention_time="22.62" />
        <peptide_result replicate="20220314_skinAIR_HelaQC_500ng" peak_count_ratio="0.9" retention_time="19.6084347" predicted_retention_time="19.3" />
        <peptide_result replicate="20220315_skinAIR_HelaQC_500ng_1" peak_count_ratio="1" retention_time="19.15334" predicted_retention_time="18.92" />
        <peptide_result replicate="20220315_skinAIR_HelaQC_500ng_2" peak_count_ratio="1" retention_time="19.4974918" predicted_retention_time="19.1" />
        <peptide_result replicate="20220317_skinAIR_HelaQC_500ng_4" peak_count_ratio="0.9" retention_time="20.196743" predicted_retention_time="20.36" />
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