Mercurial > repos > galaxyp > msconvert

annotate test-data/small-chargeStatePredictor.mzML @ 9:dd4ba10d0c45 draft

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planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
author galaxyp
date Wed, 07 Dec 2016 16:43:07 -0500
parents
children 9d5de24e6ef7
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
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1 <?xml version="1.0" encoding="utf-8"?>
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2 <indexedmzML xmlns="http://psi.hupo.org/ms/mzml" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://psi.hupo.org/ms/mzml http://psidev.info/files/ms/mzML/xsd/mzML1.1.2_idx.xsd">
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3 <mzML xmlns="http://psi.hupo.org/ms/mzml" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://psi.hupo.org/ms/mzml http://psidev.info/files/ms/mzML/xsd/mzML1.1.0.xsd" id="small" version="1.1.0">
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4 <cvList count="2">
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5 <cv id="MS" fullName="Proteomics Standards Initiative Mass Spectrometry Ontology" version="3.79.0" URI="http://psidev.cvs.sourceforge.net/*checkout*/psidev/psi/psi-ms/mzML/controlledVocabulary/psi-ms.obo"/>
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6 <cv id="UO" fullName="Unit Ontology" version="12:10:2011" URI="http://obo.cvs.sourceforge.net/*checkout*/obo/obo/ontology/phenotype/unit.obo"/>
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7 </cvList>
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8 <fileDescription>
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9 <fileContent>
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10 <cvParam cvRef="MS" accession="MS:1000579" name="MS1 spectrum" value=""/>
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11 <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>
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12 </fileContent>
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13 <sourceFileList count="3">
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14 <sourceFile id="RAW1" name="small.RAW" location="file:///C:\pwiz-src\trunk\pwiz\example_data">
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15 <cvParam cvRef="MS" accession="MS:1000768" name="Thermo nativeID format" value=""/>
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16 <cvParam cvRef="MS" accession="MS:1000563" name="Thermo RAW format" value=""/>
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17 <cvParam cvRef="MS" accession="MS:1000569" name="SHA-1" value="b43e9286b40e8b5dbc0dfa2e428495769ca96a96"/>
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18 </sourceFile>
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19 <sourceFile id="small.mzML" name="small.mzML" location="file:///">
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20 <cvParam cvRef="MS" accession="MS:1000569" name="SHA-1" value="4efa13a2795731b5f2a1ff1c463daf0d24b9a9d9"/>
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21 </sourceFile>
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22 <sourceFile id="small-peakpicking-cwt-allMS.mzML" name="small-peakpicking-cwt-allMS.mzML" location="file:///">
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23 <cvParam cvRef="MS" accession="MS:1000569" name="SHA-1" value="8af1e376b6ed33679f7fcf965a5e7fd6b1bf77b7"/>
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24 </sourceFile>
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25 </sourceFileList>
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26 </fileDescription>
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27 <referenceableParamGroupList count="1">
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28 <referenceableParamGroup id="CommonInstrumentParams">
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29 <cvParam cvRef="MS" accession="MS:1000448" name="LTQ FT" value=""/>
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30 <cvParam cvRef="MS" accession="MS:1000529" name="instrument serial number" value="SN06061F"/>
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31 </referenceableParamGroup>
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32 </referenceableParamGroupList>
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33 <softwareList count="3">
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34 <software id="Xcalibur" version="1.1 Beta 7">
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35 <cvParam cvRef="MS" accession="MS:1000532" name="Xcalibur" value=""/>
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36 </software>
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37 <software id="pwiz" version="3.0.8981">
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38 <cvParam cvRef="MS" accession="MS:1000615" name="ProteoWizard software" value=""/>
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39 </software>
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40 <software id="pwiz_3.0.8990" version="3.0.8990">
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41 <cvParam cvRef="MS" accession="MS:1000615" name="ProteoWizard software" value=""/>
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42 </software>
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43 </softwareList>
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44 <instrumentConfigurationList count="2">
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45 <instrumentConfiguration id="IC1">
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46 <referenceableParamGroupRef ref="CommonInstrumentParams"/>
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47 <componentList count="3">
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48 <source order="1">
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49 <cvParam cvRef="MS" accession="MS:1000073" name="electrospray ionization" value=""/>
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50 <cvParam cvRef="MS" accession="MS:1000057" name="electrospray inlet" value=""/>
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51 </source>
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52 <analyzer order="2">
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53 <cvParam cvRef="MS" accession="MS:1000079" name="fourier transform ion cyclotron resonance mass spectrometer" value=""/>
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54 </analyzer>
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55 <detector order="3">
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56 <cvParam cvRef="MS" accession="MS:1000624" name="inductive detector" value=""/>
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57 </detector>
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58 </componentList>
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59 <softwareRef ref="Xcalibur"/>
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60 </instrumentConfiguration>
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61 <instrumentConfiguration id="IC2">
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62 <referenceableParamGroupRef ref="CommonInstrumentParams"/>
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63 <componentList count="3">
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64 <source order="1">
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65 <cvParam cvRef="MS" accession="MS:1000073" name="electrospray ionization" value=""/>
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66 <cvParam cvRef="MS" accession="MS:1000057" name="electrospray inlet" value=""/>
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67 </source>
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68 <analyzer order="2">
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69 <cvParam cvRef="MS" accession="MS:1000083" name="radial ejection linear ion trap" value=""/>
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70 </analyzer>
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71 <detector order="3">
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72 <cvParam cvRef="MS" accession="MS:1000253" name="electron multiplier" value=""/>
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73 </detector>
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74 </componentList>
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75 <softwareRef ref="Xcalibur"/>
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76 </instrumentConfiguration>
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77 </instrumentConfigurationList>
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78 <dataProcessingList count="2">
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79 <dataProcessing id="pwiz_Reader_Thermo_conversion">
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80 <processingMethod order="0" softwareRef="pwiz">
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81 <cvParam cvRef="MS" accession="MS:1000544" name="Conversion to mzML" value=""/>
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82 </processingMethod>
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83 </dataProcessing>
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84 <dataProcessing id="pwiz_Reader_conversion">
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85 <processingMethod order="0" softwareRef="pwiz_3.0.8990">
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86 <cvParam cvRef="MS" accession="MS:1000544" name="Conversion to mzML" value=""/>
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87 </processingMethod>
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88 <processingMethod order="1" softwareRef="pwiz_3.0.8990">
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89 <cvParam cvRef="MS" accession="MS:1000035" name="peak picking" value=""/>
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90 </processingMethod>
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91 </dataProcessing>
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92 </dataProcessingList>
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93 <run id="small" defaultInstrumentConfigurationRef="IC1" startTimeStamp="2005-07-20T14:44:22Z" defaultSourceFileRef="RAW1">
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94 <spectrumList count="48" defaultDataProcessingRef="pwiz_Reader_conversion">
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95 <spectrum index="0" id="controllerType=0 controllerNumber=1 scan=1" defaultArrayLength="723" dataProcessingRef="pwiz_Reader_conversion">
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96 <cvParam cvRef="MS" accession="MS:1000579" name="MS1 spectrum" value=""/>
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97 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1"/>
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98 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
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99 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
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100 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="810.415283203125" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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101 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="1.471973875e06" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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102 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="1.5245068e07"/>
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103 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="200.00018816645" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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104 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="2000.009946620377" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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105 <scanList count="1">
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106 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
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116 </scanWindow>
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117 </scanWindowList>
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118 </scan>
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119 </scanList>
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130 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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197 </scanWindow>
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198 </scanWindowList>
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199 </scan>
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200 </scanList>
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207 </isolationWindow>
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214 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="4"/>
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215 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="5"/>
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216 </selectedIon>
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217 </selectedIonList>
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218 <activation>
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221 </activation>
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222 </precursor>
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223 </precursorList>
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228 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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256 <userParam name="[Thermo Trailer Extra]Monoisotopic M/Z:" value="0" type="xsd:float"/>
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264 </scanList>
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286 </precursor>
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287 </precursorList>
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306 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
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307 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
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308 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="578.985595703125" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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309 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="8601.798828125" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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312 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1412.570434570313" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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314 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
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317 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="ITMS + c ESI d Full ms2 725.36@cid35.00 [185.00-1465.00]"/>
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318 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="5"/>
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319 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="57.43083190918" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
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320 <userParam name="[Thermo Trailer Extra]Monoisotopic M/Z:" value="0" type="xsd:float"/>
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323 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="185.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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324 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1465.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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325 </scanWindow>
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326 </scanWindowList>
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327 </scan>
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328 </scanList>
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335 </isolationWindow>
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338 <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="725.36" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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339 <cvParam cvRef="MS" accession="MS:1000042" name="peak intensity" value="28425.76953125" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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340 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="2"/>
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341 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="3"/>
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342 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="4"/>
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343 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="5"/>
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344 </selectedIon>
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345 </selectedIonList>
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346 <activation>
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347 <cvParam cvRef="MS" accession="MS:1000133" name="collision-induced dissociation" value=""/>
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348 <cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="35.0" unitCvRef="UO" unitAccession="UO:0000266" unitName="electronvolt"/>
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349 </activation>
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350 </precursor>
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351 </precursorList>
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355 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
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356 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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408 </selectedIon>
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409 </selectedIonList>
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413 </activation>
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414 </precursor>
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415 </precursorList>
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426 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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455 </scan>
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456 </scanList>
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dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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463 </isolationWindow>
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468 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="2"/>
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470 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="4"/>
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471 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="5"/>
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472 </selectedIon>
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473 </selectedIonList>
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474 <activation>
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476 <cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="35.0" unitCvRef="UO" unitAccession="UO:0000266" unitName="electronvolt"/>
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477 </activation>
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478 </precursor>
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479 </precursorList>
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480 <binaryDataArrayList count="2">
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484 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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519 </scanList>
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526 </binaryDataArray>
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530 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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556 </scanWindow>
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557 </scanWindowList>
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558 </scan>
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559 </scanList>
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564 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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599 </scan>
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600 </scanList>
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622 </precursor>
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658 <scanWindow>
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661 </scanWindow>
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662 </scanWindowList>
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663 </scan>
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664 </scanList>
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671 </isolationWindow>
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673 <selectedIon>
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674 <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="837.96" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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680 </selectedIon>
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681 </selectedIonList>
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682 <activation>
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683 <cvParam cvRef="MS" accession="MS:1000133" name="collision-induced dissociation" value=""/>
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684 <cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="35.0" unitCvRef="UO" unitAccession="UO:0000266" unitName="electronvolt"/>
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685 </activation>
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686 </precursor>
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687 </precursorList>
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688 <binaryDataArrayList count="2">
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690 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
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691 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
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692 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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696 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
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698 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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722 <scanWindow>
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725 </scanWindow>
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726 </scanWindowList>
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727 </scan>
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728 </scanList>
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735 </isolationWindow>
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737 <selectedIon>
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740 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="2"/>
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744 </selectedIon>
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745 </selectedIonList>
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746 <activation>
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747 <cvParam cvRef="MS" accession="MS:1000133" name="collision-induced dissociation" value=""/>
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749 </activation>
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750 </precursor>
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751 </precursorList>
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752 <binaryDataArrayList count="2">
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756 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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765 </binaryDataArrayList>
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766 </spectrum>
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790 </scanWindowList>
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791 </scan>
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792 </scanList>
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799 </isolationWindow>
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801 <selectedIon>
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802 <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="725.23" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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806 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="4"/>
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807 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="5"/>
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808 </selectedIon>
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809 </selectedIonList>
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810 <activation>
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811 <cvParam cvRef="MS" accession="MS:1000133" name="collision-induced dissociation" value=""/>
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812 <cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="35.0" unitCvRef="UO" unitAccession="UO:0000266" unitName="electronvolt"/>
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813 </activation>
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814 </precursor>
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815 </precursorList>
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816 <binaryDataArrayList count="2">
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817 <binaryDataArray encodedLength="3688">
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818 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
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819 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
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820 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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826 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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830 </spectrum>
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850 <scanWindow>
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851 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="140.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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853 </scanWindow>
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854 </scanWindowList>
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855 </scan>
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856 </scanList>
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857 <precursorList count="1">
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858 <precursor spectrumRef="controllerType=0 controllerNumber=1 scan=9">
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863 </isolationWindow>
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866 <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="559.19" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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867 <cvParam cvRef="MS" accession="MS:1000042" name="peak intensity" value="14270.2412109375" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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868 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="2"/>
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870 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="4"/>
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871 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="5"/>
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872 </selectedIon>
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873 </selectedIonList>
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874 <activation>
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875 <cvParam cvRef="MS" accession="MS:1000133" name="collision-induced dissociation" value=""/>
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876 <cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="35.0" unitCvRef="UO" unitAccession="UO:0000266" unitName="electronvolt"/>
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877 </activation>
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878 </precursor>
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879 </precursorList>
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888 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
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889 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
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890 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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893 </binaryDataArrayList>
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894 </spectrum>
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895 <spectrum index="14" id="controllerType=0 controllerNumber=1 scan=15" defaultArrayLength="541" dataProcessingRef="pwiz_Reader_conversion">
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896 <cvParam cvRef="MS" accession="MS:1000579" name="MS1 spectrum" value=""/>
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897 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1"/>
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898 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
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899 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
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900 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="810.415649414063" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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901 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="2.028008125e06" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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902 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="1.8257344e07"/>
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903 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="200.00018816645" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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904 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="2000.009946620377" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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905 <scanList count="1">
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906 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
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907 <scan>
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908 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.143451666667" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
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909 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="FTMS + p ESI Full ms [200.00-2000.00]"/>
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910 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="1"/>
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911 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="72.053024291992" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
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912 <scanWindowList count="1">
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913 <scanWindow>
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914 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="200.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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915 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="2000.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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916 </scanWindow>
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917 </scanWindowList>
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918 </scan>
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919 </scanList>
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920 <binaryDataArrayList count="2">
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921 <binaryDataArray encodedLength="2572">
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922 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
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923 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
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924 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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928 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
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929 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
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930 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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933 </binaryDataArrayList>
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934 </spectrum>
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936 <cvParam cvRef="MS" accession="MS:1000579" name="MS1 spectrum" value=""/>
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938 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
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939 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
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940 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="811.090942382813" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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941 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="1.3454609375e05" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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942 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="1.1037852e07"/>
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943 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="200.090909093618" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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944 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="2000.00005364418" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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945 <scanList count="1">
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946 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
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947 <scan instrumentConfigurationRef="IC2">
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948 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.146408333333" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
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949 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="ITMS + p ESI Full ms [200.00-2000.00]"/>
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950 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="2"/>
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951 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="2.521328449249" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
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952 <scanWindowList count="1">
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953 <scanWindow>
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954 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="200.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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955 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="2000.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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956 </scanWindow>
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957 </scanWindowList>
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958 </scan>
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959 </scanList>
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960 <binaryDataArrayList count="2">
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961 <binaryDataArray encodedLength="4748">
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962 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
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963 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
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964 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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965 <binary>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</binary>
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966 </binaryDataArray>
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967 <binaryDataArray encodedLength="2736">
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968 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
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969 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
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970 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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973 </binaryDataArrayList>
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974 </spectrum>
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975 <spectrum index="16" id="controllerType=0 controllerNumber=1 scan=17" defaultArrayLength="579">
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976 <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>
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977 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="2"/>
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978 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
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979 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
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980 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="736.483520507813" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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981 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="1.701353125e05" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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982 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="1.102582125e06"/>
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983 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="233.657485961914" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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984 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1474.546997070313" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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985 <scanList count="1">
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986 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
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987 <scan instrumentConfigurationRef="IC2">
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988 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.149755" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
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989 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="ITMS + c ESI d Full ms2 811.41@cid35.00 [210.00-1635.00]"/>
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990 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="3"/>
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991 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="9.879236221313" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
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992 <userParam name="[Thermo Trailer Extra]Monoisotopic M/Z:" value="0" type="xsd:float"/>
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993 <scanWindowList count="1">
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994 <scanWindow>
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995 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="210.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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996 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1635.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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997 </scanWindow>
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998 </scanWindowList>
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999 </scan>
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1000 </scanList>
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1001 <precursorList count="1">
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1002 <precursor spectrumRef="controllerType=0 controllerNumber=1 scan=16">
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1003 <isolationWindow>
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1004 <cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="811.41" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1005 <cvParam cvRef="MS" accession="MS:1000828" name="isolation window lower offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1006 <cvParam cvRef="MS" accession="MS:1000829" name="isolation window upper offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1007 </isolationWindow>
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1008 <selectedIonList count="1">
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1009 <selectedIon>
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1010 <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="811.41" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1011 <cvParam cvRef="MS" accession="MS:1000042" name="peak intensity" value="1.3454609375e05" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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1012 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="2"/>
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1013 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="3"/>
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1014 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="4"/>
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1015 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="5"/>
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1016 </selectedIon>
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1017 </selectedIonList>
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1018 <activation>
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1019 <cvParam cvRef="MS" accession="MS:1000133" name="collision-induced dissociation" value=""/>
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1020 <cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="35.0" unitCvRef="UO" unitAccession="UO:0000266" unitName="electronvolt"/>
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1021 </activation>
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1022 </precursor>
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1023 </precursorList>
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1024 <binaryDataArrayList count="2">
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1025 <binaryDataArray encodedLength="2756">
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1026 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
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1027 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
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1028 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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1071 </isolationWindow>
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1074 <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="837.36" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1079 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="5"/>
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1080 </selectedIon>
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1081 </selectedIonList>
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dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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1097 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
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1098 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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1100 </binaryDataArray>
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1101 </binaryDataArrayList>
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1102 </spectrum>
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1106 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
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1107 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
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1113 <scanList count="1">
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1114 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
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1121 <scanWindowList count="1">
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1122 <scanWindow>
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1123 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="165.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1125 </scanWindow>
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1126 </scanWindowList>
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1127 </scan>
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1128 </scanList>
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1135 </isolationWindow>
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diff changeset
1136 <selectedIonList count="1">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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1137 <selectedIon>
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diff changeset
1138 <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="643.8" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
1139 <cvParam cvRef="MS" accession="MS:1000042" name="peak intensity" value="20415.62109375" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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diff changeset
1140 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="2"/>
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diff changeset
1141 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="3"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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parents:
diff changeset
1142 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="4"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
1143 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="5"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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1144 </selectedIon>
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1145 </selectedIonList>
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diff changeset
1146 <activation>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
1147 <cvParam cvRef="MS" accession="MS:1000133" name="collision-induced dissociation" value=""/>
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diff changeset
1148 <cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="35.0" unitCvRef="UO" unitAccession="UO:0000266" unitName="electronvolt"/>
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1149 </activation>
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1150 </precursor>
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1151 </precursorList>
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1152 <binaryDataArrayList count="2">
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1153 <binaryDataArray encodedLength="3132">
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1154 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
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diff changeset
1155 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
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diff changeset
1156 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
1158 </binaryDataArray>
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1159 <binaryDataArray encodedLength="1172">
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diff changeset
1160 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
1161 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
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diff changeset
1162 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
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1164 </binaryDataArray>
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1165 </binaryDataArrayList>
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diff changeset
1166 </spectrum>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
1167 <spectrum index="19" id="controllerType=0 controllerNumber=1 scan=20" defaultArrayLength="674">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
1168 <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
1169 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="2"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
1170 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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parents:
diff changeset
1171 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
1172 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="579.14892578125" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
1173 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="17014.310546875" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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diff changeset
1174 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="1.42243390625e05"/>
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parents:
diff changeset
1175 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="162.245941162109" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
1176 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1128.895385742188" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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1177 <scanList count="1">
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1178 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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1179 <scan instrumentConfigurationRef="IC2">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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1180 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.186658333333" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
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1181 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="ITMS + c ESI d Full ms2 558.94@cid35.00 [140.00-1130.00]"/>
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1182 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="6"/>
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diff changeset
1183 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="80.531181335449" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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1184 <userParam name="[Thermo Trailer Extra]Monoisotopic M/Z:" value="0" type="xsd:float"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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1185 <scanWindowList count="1">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
1186 <scanWindow>
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1187 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="140.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
1188 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1130.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1189 </scanWindow>
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1190 </scanWindowList>
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1191 </scan>
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1192 </scanList>
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1193 <precursorList count="1">
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1194 <precursor spectrumRef="controllerType=0 controllerNumber=1 scan=16">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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1195 <isolationWindow>
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1196 <cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="558.94" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1197 <cvParam cvRef="MS" accession="MS:1000828" name="isolation window lower offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1198 <cvParam cvRef="MS" accession="MS:1000829" name="isolation window upper offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1199 </isolationWindow>
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1200 <selectedIonList count="1">
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1201 <selectedIon>
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1202 <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="558.94" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1203 <cvParam cvRef="MS" accession="MS:1000042" name="peak intensity" value="17284.958984375" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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1204 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="2"/>
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1205 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="3"/>
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1206 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="4"/>
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1207 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="5"/>
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1208 </selectedIon>
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1209 </selectedIonList>
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1210 <activation>
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1211 <cvParam cvRef="MS" accession="MS:1000133" name="collision-induced dissociation" value=""/>
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1212 <cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="35.0" unitCvRef="UO" unitAccession="UO:0000266" unitName="electronvolt"/>
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1213 </activation>
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1214 </precursor>
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1215 </precursorList>
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1216 <binaryDataArrayList count="2">
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1217 <binaryDataArray encodedLength="3164">
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1218 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
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1219 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
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1220 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1222 </binaryDataArray>
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1223 <binaryDataArray encodedLength="1196">
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1224 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
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diff changeset
1225 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
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diff changeset
1226 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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1228 </binaryDataArray>
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1229 </binaryDataArrayList>
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diff changeset
1230 </spectrum>
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diff changeset
1231 <spectrum index="20" id="controllerType=0 controllerNumber=1 scan=21" defaultArrayLength="891">
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diff changeset
1232 <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>
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diff changeset
1233 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="2"/>
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diff changeset
1234 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
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diff changeset
1235 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
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diff changeset
1236 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="668.7431640625" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
1237 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="18647.232421875" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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diff changeset
1238 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="1.47414578125e05"/>
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diff changeset
1239 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="203.112747192383" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1240 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1426.0986328125" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
1241 <scanList count="1">
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diff changeset
1242 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
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1243 <scan instrumentConfigurationRef="IC2">
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1244 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.200695" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
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1245 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="ITMS + c ESI d Full ms2 725.14@cid35.00 [185.00-1465.00]"/>
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1246 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="7"/>
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1247 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="43.3606300354" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
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1248 <userParam name="[Thermo Trailer Extra]Monoisotopic M/Z:" value="0" type="xsd:float"/>
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1249 <scanWindowList count="1">
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diff changeset
1250 <scanWindow>
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diff changeset
1251 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="185.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
1252 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1465.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
1253 </scanWindow>
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1254 </scanWindowList>
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1255 </scan>
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1256 </scanList>
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1257 <precursorList count="1">
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1258 <precursor spectrumRef="controllerType=0 controllerNumber=1 scan=16">
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1259 <isolationWindow>
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1260 <cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="725.14" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1261 <cvParam cvRef="MS" accession="MS:1000828" name="isolation window lower offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1262 <cvParam cvRef="MS" accession="MS:1000829" name="isolation window upper offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1263 </isolationWindow>
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1264 <selectedIonList count="1">
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1265 <selectedIon>
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1266 <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="725.14" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1267 <cvParam cvRef="MS" accession="MS:1000042" name="peak intensity" value="24541.078125" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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1268 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="2"/>
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1269 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="3"/>
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1270 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="4"/>
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1271 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="5"/>
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1272 </selectedIon>
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1273 </selectedIonList>
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1274 <activation>
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1275 <cvParam cvRef="MS" accession="MS:1000133" name="collision-induced dissociation" value=""/>
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1276 <cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="35.0" unitCvRef="UO" unitAccession="UO:0000266" unitName="electronvolt"/>
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1277 </activation>
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1278 </precursor>
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1279 </precursorList>
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1280 <binaryDataArrayList count="2">
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1281 <binaryDataArray encodedLength="4072">
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1282 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
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1283 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
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1284 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1286 </binaryDataArray>
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1287 <binaryDataArray encodedLength="1624">
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1288 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
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1289 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
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1290 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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1293 </binaryDataArrayList>
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1294 </spectrum>
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1295 <spectrum index="21" id="controllerType=0 controllerNumber=1 scan=22" defaultArrayLength="564" dataProcessingRef="pwiz_Reader_conversion">
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1296 <cvParam cvRef="MS" accession="MS:1000579" name="MS1 spectrum" value=""/>
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1297 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1"/>
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1298 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
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1299 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
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1300 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="810.415954589844" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1301 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="2.041982e06" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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1302 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="1.7613074e07"/>
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1303 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="200.00018816645" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1304 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="2000.009946620377" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1306 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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1307 <scan>
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1308 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.213673333333" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
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diff changeset
1309 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="FTMS + p ESI Full ms [200.00-2000.00]"/>
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1310 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="1"/>
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1311 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="78.409637451172" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
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1312 <scanWindowList count="1">
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1313 <scanWindow>
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1314 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="200.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1315 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="2000.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1316 </scanWindow>
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1317 </scanWindowList>
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1318 </scan>
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1319 </scanList>
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1320 <binaryDataArrayList count="2">
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1321 <binaryDataArray encodedLength="2664">
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1322 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
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1323 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
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1324 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1326 </binaryDataArray>
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1327 <binaryDataArray encodedLength="1740">
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1328 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
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diff changeset
1329 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
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diff changeset
1330 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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1332 </binaryDataArray>
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1333 </binaryDataArrayList>
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1334 </spectrum>
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1335 <spectrum index="22" id="controllerType=0 controllerNumber=1 scan=23" defaultArrayLength="701" dataProcessingRef="pwiz_Reader_conversion">
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diff changeset
1336 <cvParam cvRef="MS" accession="MS:1000579" name="MS1 spectrum" value=""/>
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1337 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1"/>
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diff changeset
1338 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
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diff changeset
1339 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
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diff changeset
1340 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="811.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1341 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="20583.181640625" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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diff changeset
1342 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="1.5974105e06"/>
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1343 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="200.090909093618" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1344 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="2000.00005364418" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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1345 <scanList count="1">
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1346 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
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1347 <scan instrumentConfigurationRef="IC2">
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1348 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.216746666667" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
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1349 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="ITMS + p ESI Full ms [200.00-2000.00]"/>
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diff changeset
1350 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="2"/>
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diff changeset
1351 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="2.652539253235" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
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1352 <scanWindowList count="1">
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1353 <scanWindow>
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1354 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="200.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1355 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="2000.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1356 </scanWindow>
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1357 </scanWindowList>
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1358 </scan>
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1359 </scanList>
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1360 <binaryDataArrayList count="2">
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1361 <binaryDataArray encodedLength="3380">
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1362 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
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1363 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
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1364 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1368 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
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1369 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
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1370 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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1372 </binaryDataArray>
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1373 </binaryDataArrayList>
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1374 </spectrum>
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1375 <spectrum index="23" id="controllerType=0 controllerNumber=1 scan=24" defaultArrayLength="579">
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1376 <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>
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1377 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="2"/>
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1378 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
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1379 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
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1380 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="736.72607421875" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1381 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="2.747519375e05" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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1382 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="9.902985e05"/>
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1383 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="234.13981628418" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1384 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1472.716186523438" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1385 <scanList count="1">
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1386 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
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1387 <scan instrumentConfigurationRef="IC2">
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1388 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.220073333333" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
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1389 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="ITMS + c ESI d Full ms2 810.84@cid35.00 [210.00-1635.00]"/>
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1390 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="3"/>
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1391 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="33.140590667725" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
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1392 <userParam name="[Thermo Trailer Extra]Monoisotopic M/Z:" value="0" type="xsd:float"/>
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1393 <scanWindowList count="1">
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1394 <scanWindow>
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1395 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="210.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1396 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1635.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1397 </scanWindow>
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1398 </scanWindowList>
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1399 </scan>
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1400 </scanList>
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1401 <precursorList count="1">
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1402 <precursor spectrumRef="controllerType=0 controllerNumber=1 scan=23">
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1403 <isolationWindow>
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1404 <cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="810.84" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1405 <cvParam cvRef="MS" accession="MS:1000828" name="isolation window lower offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1406 <cvParam cvRef="MS" accession="MS:1000829" name="isolation window upper offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1407 </isolationWindow>
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1408 <selectedIonList count="1">
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1409 <selectedIon>
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1410 <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="810.84" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1411 <cvParam cvRef="MS" accession="MS:1000042" name="peak intensity" value="20583.181640625" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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1412 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="2"/>
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1413 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="3"/>
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1414 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="4"/>
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1415 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="5"/>
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1416 </selectedIon>
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1417 </selectedIonList>
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diff changeset
1418 <activation>
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diff changeset
1419 <cvParam cvRef="MS" accession="MS:1000133" name="collision-induced dissociation" value=""/>
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diff changeset
1420 <cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="35.0" unitCvRef="UO" unitAccession="UO:0000266" unitName="electronvolt"/>
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diff changeset
1421 </activation>
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1422 </precursor>
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1423 </precursorList>
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1424 <binaryDataArrayList count="2">
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diff changeset
1425 <binaryDataArray encodedLength="2756">
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diff changeset
1426 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
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diff changeset
1427 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
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diff changeset
1428 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1430 </binaryDataArray>
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1431 <binaryDataArray encodedLength="1292">
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diff changeset
1432 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
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parents:
diff changeset
1433 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
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diff changeset
1434 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
1435 <binary>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</binary>
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1436 </binaryDataArray>
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diff changeset
1437 </binaryDataArrayList>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
1438 </spectrum>
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diff changeset
1439 <spectrum index="24" id="controllerType=0 controllerNumber=1 scan=25" defaultArrayLength="938">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
1440 <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
1441 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="2"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
1442 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
1443 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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parents:
diff changeset
1444 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="780.773681640625" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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parents:
diff changeset
1445 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="52065.8125" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
1446 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="4.4764796875e05"/>
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diff changeset
1447 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="236.305725097656" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
1448 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1652.236694335938" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
1449 <scanList count="1">
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diff changeset
1450 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
1451 <scan instrumentConfigurationRef="IC2">
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diff changeset
1452 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.232923333333" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
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diff changeset
1453 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="ITMS + c ESI d Full ms2 837.42@cid35.00 [220.00-1685.00]"/>
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diff changeset
1454 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="4"/>
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diff changeset
1455 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="10.273738861084" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
1456 <userParam name="[Thermo Trailer Extra]Monoisotopic M/Z:" value="0" type="xsd:float"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
1457 <scanWindowList count="1">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
1458 <scanWindow>
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diff changeset
1459 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="220.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
1460 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1685.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
1461 </scanWindow>
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diff changeset
1462 </scanWindowList>
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1463 </scan>
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diff changeset
1464 </scanList>
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diff changeset
1465 <precursorList count="1">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
1466 <precursor spectrumRef="controllerType=0 controllerNumber=1 scan=23">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
1467 <isolationWindow>
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parents:
diff changeset
1468 <cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="837.42" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
1469 <cvParam cvRef="MS" accession="MS:1000828" name="isolation window lower offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
1470 <cvParam cvRef="MS" accession="MS:1000829" name="isolation window upper offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
1471 </isolationWindow>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
1472 <selectedIonList count="1">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
galaxyp
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diff changeset
1473 <selectedIon>
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parents:
diff changeset
1474 <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="837.42" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
1475 <cvParam cvRef="MS" accession="MS:1000042" name="peak intensity" value="12561.1044921875" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
1476 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="2"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
1477 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="3"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
1478 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="4"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
1479 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="5"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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1480 </selectedIon>
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1481 </selectedIonList>
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1482 <activation>
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1483 <cvParam cvRef="MS" accession="MS:1000133" name="collision-induced dissociation" value=""/>
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1484 <cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="35.0" unitCvRef="UO" unitAccession="UO:0000266" unitName="electronvolt"/>
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1485 </activation>
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1486 </precursor>
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1487 </precursorList>
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1488 <binaryDataArrayList count="2">
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1489 <binaryDataArray encodedLength="4316">
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1490 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
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1491 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
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1492 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1494 </binaryDataArray>
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1495 <binaryDataArray encodedLength="1996">
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1496 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
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1497 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
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1498 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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1500 </binaryDataArray>
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1501 </binaryDataArrayList>
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1502 </spectrum>
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1503 <spectrum index="25" id="controllerType=0 controllerNumber=1 scan=26" defaultArrayLength="789">
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1504 <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>
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1505 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="2"/>
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1506 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
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1507 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
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1508 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="666.019714355469" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1509 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="8386.5302734375" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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1510 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="71677.03125"/>
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1511 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="194.140045166016" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1512 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1327.803100585938" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1513 <scanList count="1">
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1514 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
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1515 <scan instrumentConfigurationRef="IC2">
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1516 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.244745" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
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1517 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="ITMS + c ESI d Full ms2 674.64@cid35.00 [175.00-1360.00]"/>
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1518 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="5"/>
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1519 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="77.485275268555" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
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1520 <userParam name="[Thermo Trailer Extra]Monoisotopic M/Z:" value="0" type="xsd:float"/>
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1521 <scanWindowList count="1">
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1522 <scanWindow>
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1523 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="175.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
1524 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1360.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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1525 </scanWindow>
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1526 </scanWindowList>
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1527 </scan>
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1528 </scanList>
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1529 <precursorList count="1">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
1530 <precursor spectrumRef="controllerType=0 controllerNumber=1 scan=23">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
1531 <isolationWindow>
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diff changeset
1532 <cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="674.64" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
1533 <cvParam cvRef="MS" accession="MS:1000828" name="isolation window lower offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
1534 <cvParam cvRef="MS" accession="MS:1000829" name="isolation window upper offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
1535 </isolationWindow>
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1536 <selectedIonList count="1">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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1537 <selectedIon>
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1538 <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="674.64" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
1539 <cvParam cvRef="MS" accession="MS:1000042" name="peak intensity" value="4597.216796875" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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1540 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="2"/>
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1541 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="3"/>
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1542 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="4"/>
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diff changeset
1543 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="5"/>
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1544 </selectedIon>
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1545 </selectedIonList>
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diff changeset
1546 <activation>
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diff changeset
1547 <cvParam cvRef="MS" accession="MS:1000133" name="collision-induced dissociation" value=""/>
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diff changeset
1548 <cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="35.0" unitCvRef="UO" unitAccession="UO:0000266" unitName="electronvolt"/>
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diff changeset
1549 </activation>
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1550 </precursor>
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parents:
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1551 </precursorList>
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1552 <binaryDataArrayList count="2">
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diff changeset
1553 <binaryDataArray encodedLength="3664">
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diff changeset
1554 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
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diff changeset
1555 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
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diff changeset
1556 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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1558 </binaryDataArray>
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1559 <binaryDataArray encodedLength="1320">
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diff changeset
1560 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
1561 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
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diff changeset
1562 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
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1564 </binaryDataArray>
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1565 </binaryDataArrayList>
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diff changeset
1566 </spectrum>
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diff changeset
1567 <spectrum index="26" id="controllerType=0 controllerNumber=1 scan=27" defaultArrayLength="687">
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1568 <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>
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diff changeset
1569 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="2"/>
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diff changeset
1570 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
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1571 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
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1572 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="579.155883789063" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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1573 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="15189.447265625" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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diff changeset
1574 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="1.199997421875e05"/>
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1575 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="181.069076538086" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
1576 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1261.928100585938" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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1577 <scanList count="1">
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1578 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
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1579 <scan instrumentConfigurationRef="IC2">
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1580 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.259171666667" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
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1581 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="ITMS + c ESI d Full ms2 643.74@cid35.00 [165.00-1300.00]"/>
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1582 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="6"/>
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1583 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="62.065521240234" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
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1584 <userParam name="[Thermo Trailer Extra]Monoisotopic M/Z:" value="0" type="xsd:float"/>
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1585 <scanWindowList count="1">
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1586 <scanWindow>
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1587 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="165.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1588 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1300.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1589 </scanWindow>
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1590 </scanWindowList>
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1591 </scan>
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1592 </scanList>
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1593 <precursorList count="1">
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1594 <precursor spectrumRef="controllerType=0 controllerNumber=1 scan=23">
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1595 <isolationWindow>
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1596 <cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="643.74" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1597 <cvParam cvRef="MS" accession="MS:1000828" name="isolation window lower offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1598 <cvParam cvRef="MS" accession="MS:1000829" name="isolation window upper offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1599 </isolationWindow>
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1600 <selectedIonList count="1">
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1601 <selectedIon>
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1602 <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="643.74" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1603 <cvParam cvRef="MS" accession="MS:1000042" name="peak intensity" value="4468.9404296875" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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1604 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="2"/>
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1605 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="3"/>
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1606 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="4"/>
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1607 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="5"/>
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1608 </selectedIon>
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1609 </selectedIonList>
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1610 <activation>
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1611 <cvParam cvRef="MS" accession="MS:1000133" name="collision-induced dissociation" value=""/>
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1612 <cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="35.0" unitCvRef="UO" unitAccession="UO:0000266" unitName="electronvolt"/>
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1613 </activation>
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1614 </precursor>
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1615 </precursorList>
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1616 <binaryDataArrayList count="2">
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1617 <binaryDataArray encodedLength="3208">
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1618 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
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1619 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
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1620 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1622 </binaryDataArray>
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1623 <binaryDataArray encodedLength="1184">
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1624 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
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1625 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
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1626 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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1628 </binaryDataArray>
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1629 </binaryDataArrayList>
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1630 </spectrum>
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1631 <spectrum index="27" id="controllerType=0 controllerNumber=1 scan=28" defaultArrayLength="865">
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1632 <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>
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1633 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="2"/>
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1634 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
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1635 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
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1636 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="579.156494140625" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1637 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="16345.388671875" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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1638 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="1.5228125e05"/>
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1639 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="204.265350341797" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1640 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1428.089477539063" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1641 <scanList count="1">
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1642 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
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1643 <scan instrumentConfigurationRef="IC2">
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1644 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.272663333333" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
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1645 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="ITMS + c ESI d Full ms2 725.36@cid35.00 [185.00-1465.00]"/>
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1646 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="7"/>
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1647 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="40.766529083252" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
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1648 <userParam name="[Thermo Trailer Extra]Monoisotopic M/Z:" value="0" type="xsd:float"/>
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1649 <scanWindowList count="1">
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1650 <scanWindow>
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1651 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="185.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
1652 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1465.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1653 </scanWindow>
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1654 </scanWindowList>
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1655 </scan>
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1656 </scanList>
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1657 <precursorList count="1">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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1658 <precursor spectrumRef="controllerType=0 controllerNumber=1 scan=23">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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1659 <isolationWindow>
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1660 <cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="725.36" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1661 <cvParam cvRef="MS" accession="MS:1000828" name="isolation window lower offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1662 <cvParam cvRef="MS" accession="MS:1000829" name="isolation window upper offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1663 </isolationWindow>
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1664 <selectedIonList count="1">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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1665 <selectedIon>
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1666 <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="725.36" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1667 <cvParam cvRef="MS" accession="MS:1000042" name="peak intensity" value="5102.83740234375" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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1668 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="2"/>
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1669 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="3"/>
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1670 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="4"/>
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diff changeset
1671 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="5"/>
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1672 </selectedIon>
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1673 </selectedIonList>
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1674 <activation>
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1675 <cvParam cvRef="MS" accession="MS:1000133" name="collision-induced dissociation" value=""/>
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1676 <cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="35.0" unitCvRef="UO" unitAccession="UO:0000266" unitName="electronvolt"/>
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1677 </activation>
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1678 </precursor>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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1679 </precursorList>
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1680 <binaryDataArrayList count="2">
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1681 <binaryDataArray encodedLength="3988">
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1682 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
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1683 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
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1684 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1685 <binary>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</binary>
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1688 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
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1689 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
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1690 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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1693 </binaryDataArrayList>
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1694 </spectrum>
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1695 <spectrum index="28" id="controllerType=0 controllerNumber=1 scan=29" defaultArrayLength="623" dataProcessingRef="pwiz_Reader_conversion">
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1696 <cvParam cvRef="MS" accession="MS:1000579" name="MS1 spectrum" value=""/>
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1697 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1"/>
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1698 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
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1699 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
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1700 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="810.417541503906" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1701 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="2.7295965e06" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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1702 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="2.2136832e07"/>
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1703 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="200.00018816645" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1704 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="2000.009946620377" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1705 <scanList count="1">
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1706 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
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1707 <scan>
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1708 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.285483333333" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
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1709 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="FTMS + p ESI Full ms [200.00-2000.00]"/>
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1710 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="1"/>
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1711 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="99.591796875" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
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1712 <scanWindowList count="1">
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1713 <scanWindow>
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1714 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="200.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1715 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="2000.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1716 </scanWindow>
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1717 </scanWindowList>
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1718 </scan>
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1719 </scanList>
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1720 <binaryDataArrayList count="2">
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1722 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
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1723 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
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1724 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1728 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
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1729 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
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1730 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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1733 </binaryDataArrayList>
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1734 </spectrum>
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1735 <spectrum index="29" id="controllerType=0 controllerNumber=1 scan=30" defaultArrayLength="918" dataProcessingRef="pwiz_Reader_conversion">
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1736 <cvParam cvRef="MS" accession="MS:1000579" name="MS1 spectrum" value=""/>
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1737 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1"/>
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1738 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
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1739 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
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1740 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="810.636352539063" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1741 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="1.8931615625e05" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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1742 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="1.243453e07"/>
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1743 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="200.090909093618" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1744 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="2000.00005364418" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1745 <scanList count="1">
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1746 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
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1747 <scan instrumentConfigurationRef="IC2">
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1748 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.288898333333" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
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1749 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="ITMS + p ESI Full ms [200.00-2000.00]"/>
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1750 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="2"/>
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1751 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="1.733657002449" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
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1752 <scanWindowList count="1">
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1753 <scanWindow>
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1754 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="200.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1755 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="2000.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1756 </scanWindow>
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1757 </scanWindowList>
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1758 </scan>
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1759 </scanList>
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1760 <binaryDataArrayList count="2">
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1761 <binaryDataArray encodedLength="4324">
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1762 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
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1763 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
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1764 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1765 <binary>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</binary>
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1766 </binaryDataArray>
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1767 <binaryDataArray encodedLength="2492">
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1768 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
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1769 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
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1770 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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1772 </binaryDataArray>
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1773 </binaryDataArrayList>
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1774 </spectrum>
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1775 <spectrum index="30" id="controllerType=0 controllerNumber=1 scan=31" defaultArrayLength="938">
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1776 <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>
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1777 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="2"/>
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1778 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
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diff changeset
1779 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
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1780 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="780.756591796875" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
1781 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="41109.4765625" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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diff changeset
1782 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="3.7900978125e05"/>
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1783 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="236.304412841797" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1784 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1635.145385742188" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
1785 <scanList count="1">
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1786 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
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1787 <scan instrumentConfigurationRef="IC2">
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1788 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.303703333333" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
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1789 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="ITMS + c ESI d Full ms2 837.39@cid35.00 [220.00-1685.00]"/>
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1790 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="4"/>
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diff changeset
1791 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="12.790623664856" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
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1792 <userParam name="[Thermo Trailer Extra]Monoisotopic M/Z:" value="0" type="xsd:float"/>
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1793 <scanWindowList count="1">
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1794 <scanWindow>
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1795 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="220.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1796 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1685.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1797 </scanWindow>
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1798 </scanWindowList>
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1799 </scan>
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1800 </scanList>
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1801 <precursorList count="1">
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1802 <precursor spectrumRef="controllerType=0 controllerNumber=1 scan=30">
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1803 <isolationWindow>
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1804 <cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="837.39" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1805 <cvParam cvRef="MS" accession="MS:1000828" name="isolation window lower offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1806 <cvParam cvRef="MS" accession="MS:1000829" name="isolation window upper offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1807 </isolationWindow>
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1808 <selectedIonList count="1">
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1809 <selectedIon>
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1810 <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="837.39" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1811 <cvParam cvRef="MS" accession="MS:1000042" name="peak intensity" value="98453.3359375" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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1812 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="2"/>
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1813 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="3"/>
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1814 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="4"/>
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1815 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="5"/>
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1816 </selectedIon>
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1817 </selectedIonList>
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1818 <activation>
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1819 <cvParam cvRef="MS" accession="MS:1000133" name="collision-induced dissociation" value=""/>
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1820 <cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="35.0" unitCvRef="UO" unitAccession="UO:0000266" unitName="electronvolt"/>
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1821 </activation>
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1822 </precursor>
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1823 </precursorList>
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1824 <binaryDataArrayList count="2">
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1825 <binaryDataArray encodedLength="4300">
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1826 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
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1827 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
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1828 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1834 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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1836 </binaryDataArray>
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1837 </binaryDataArrayList>
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1838 </spectrum>
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1839 <spectrum index="31" id="controllerType=0 controllerNumber=1 scan=32" defaultArrayLength="653">
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1840 <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>
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1841 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="2"/>
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1842 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
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1843 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
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1844 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="634.752868652344" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1845 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="25015.27734375" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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1846 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="1.204734296875e05"/>
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1847 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="181.237823486328" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1848 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1262.871704101563" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1849 <scanList count="1">
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1850 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
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1851 <scan instrumentConfigurationRef="IC2">
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1852 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.31565" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
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1853 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="ITMS + c ESI d Full ms2 643.80@cid35.00 [165.00-1300.00]"/>
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1854 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="5"/>
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1855 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="49.754680633545" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
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1856 <userParam name="[Thermo Trailer Extra]Monoisotopic M/Z:" value="0" type="xsd:float"/>
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1857 <scanWindowList count="1">
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1858 <scanWindow>
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1859 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="165.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1860 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1300.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1861 </scanWindow>
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1862 </scanWindowList>
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1863 </scan>
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1864 </scanList>
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1865 <precursorList count="1">
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1868 <cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="643.8" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1869 <cvParam cvRef="MS" accession="MS:1000828" name="isolation window lower offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1870 <cvParam cvRef="MS" accession="MS:1000829" name="isolation window upper offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1871 </isolationWindow>
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1872 <selectedIonList count="1">
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1873 <selectedIon>
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1874 <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="643.8" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1875 <cvParam cvRef="MS" accession="MS:1000042" name="peak intensity" value="32045.30859375" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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1876 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="2"/>
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1877 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="3"/>
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1878 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="4"/>
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1879 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="5"/>
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1880 </selectedIon>
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1881 </selectedIonList>
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1882 <activation>
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1883 <cvParam cvRef="MS" accession="MS:1000133" name="collision-induced dissociation" value=""/>
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1884 <cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="35.0" unitCvRef="UO" unitAccession="UO:0000266" unitName="electronvolt"/>
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1885 </activation>
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1886 </precursor>
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1887 </precursorList>
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1888 <binaryDataArrayList count="2">
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1889 <binaryDataArray encodedLength="3060">
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1890 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
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1891 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
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1892 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1894 </binaryDataArray>
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1895 <binaryDataArray encodedLength="1144">
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1896 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
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1897 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
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1898 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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1899 <binary>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</binary>
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1900 </binaryDataArray>
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1901 </binaryDataArrayList>
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1902 </spectrum>
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1903 <spectrum index="32" id="controllerType=0 controllerNumber=1 scan=33" defaultArrayLength="702">
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1904 <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>
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1905 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="2"/>
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1906 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
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1907 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
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1908 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="579.174072265625" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1909 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="14089.171875" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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1910 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="1.137633515625e05"/>
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1911 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="163.086685180664" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1912 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1129.224853515625" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1913 <scanList count="1">
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1914 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
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1915 <scan instrumentConfigurationRef="IC2">
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1916 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.328526666667" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
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1917 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="ITMS + c ESI d Full ms2 558.75@cid35.00 [140.00-1130.00]"/>
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1918 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="6"/>
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1919 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="87.588111877441" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
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1920 <userParam name="[Thermo Trailer Extra]Monoisotopic M/Z:" value="0" type="xsd:float"/>
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1921 <scanWindowList count="1">
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1922 <scanWindow>
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1923 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="140.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1924 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1130.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1925 </scanWindow>
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1926 </scanWindowList>
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1927 </scan>
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1928 </scanList>
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1929 <precursorList count="1">
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1930 <precursor spectrumRef="controllerType=0 controllerNumber=1 scan=30">
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1931 <isolationWindow>
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1932 <cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="558.75" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1933 <cvParam cvRef="MS" accession="MS:1000828" name="isolation window lower offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1934 <cvParam cvRef="MS" accession="MS:1000829" name="isolation window upper offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1935 </isolationWindow>
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1936 <selectedIonList count="1">
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1937 <selectedIon>
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1938 <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="558.75" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1939 <cvParam cvRef="MS" accession="MS:1000042" name="peak intensity" value="24190.390625" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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1940 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="2"/>
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1941 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="3"/>
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1942 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="4"/>
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1943 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="5"/>
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1944 </selectedIon>
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1945 </selectedIonList>
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1946 <activation>
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1947 <cvParam cvRef="MS" accession="MS:1000133" name="collision-induced dissociation" value=""/>
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1948 <cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="35.0" unitCvRef="UO" unitAccession="UO:0000266" unitName="electronvolt"/>
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1949 </activation>
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1950 </precursor>
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1951 </precursorList>
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1952 <binaryDataArrayList count="2">
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1953 <binaryDataArray encodedLength="3292">
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1954 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
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1955 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
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1956 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1957 <binary>QWiAt4AAAAC3pOB82v//f5xV5V6ujt1RCAJNORgwDcrXnYYhQYF6r7XXLq7L0fRhmDnM4cfKeomBqi6W4gjhbKm6Amr9To6/w9UhXDhqA9yVJqRNQzXKwoGkYSPY2Xo9OHMoajJCXIMSr9vqu/GpO1AEInCTJxEM+AGj0+Gar9NAOMfnLu+9SpBUaC0UROrjqhYxcSEh3uXZLeje4VcdDBm+hofqlFr9IlWnOqSreiYkA2JvHfc9Vs+n449LF/Jzjkcbp72CZECzoLa9kuzJwT4WMbT2sRho6RGTRjL+KK/rktkXpaOsESKANCOuzvhyaVy1OF3fI12fajz+1yvHoSqouIkfD37BnzQcjqvMC7JXuyItDowqmH8aI+l9I5ujQvGkDD90vafFOUpsxtsRsAchlBH87qkiyeOMFnIbvEorT+fJ5JgM4vV986uTg5K/1QEtbe/6J+3DLAV+KhBYljijESVqecpgcJg9T5yoRSWyoD6SsOBVMIAyIv9uwpfYYayK7AL5yqEoXrs61K9pJ9GIOmF/Wy+kmXqdmHsnyLtKF3M3JI+jOjQ3Djnoy6dGNeJQkoO1eHwkrNQss4Sl7eWygwIWoO/csg1IoSCl/BOKc0Md8yoXlT2uLTjjVw9q+3m9Ku3UenZaGyanhco3EeesopSSXvqvo8n72vjgS6MtYOp7K/sSNXtBp6igCuRrPC9riBLtZEivkaIivyOorrd8s0NOYhyjAaS96Mt4i9Lr1WYqNtkaBwzlI5CSIirJU6ZXSNJIiiGtvwbiOm2Eq8n36lhNPqHUQuJNlgMsU8EqUo1KK7GjOn0nuiKOxlJHwXKjRhDDAoyKVtk+O6KyJ9vvS1VQegpM3Cewpdp4ShS3R/GmLGrqn1NNEOsJEaSx6SsrH7L/zxEhuMgafZfMr0Pv0uLnwaVoW8KfPWyo1gKqKnRJLOF7aveReiSS0lLyfsivuieK0lB8KIfLOlsTvqc276OuCFKbliEhxFNTLs6K5VbLISGmapzhKS7ZBDrpwE2mr1viH2LiI3ALOvrkfCqcpBrcfXgi4JMydBAFrOrZkvzZa65MbHoKGb0niNwaFFM+o8sd4tQgGiB+ZjrtX4Igy3RKflJ9LrxGMkkiXJlBsP6gRsviJLtTpLSmy/wRAtYUi6VRGlu6k8KF8lImnM0qx6YMJ3zcilYKKDm8/C7rRyq8kNwv4ngS/ciUoFdXuuIs/iQkvooXa/QngQ9KK3hOLJCjGnsInCCJVDJwOLGgNiObQNcCHw6GvaCROd1BLqFoOvNL+8HuGkbZPqrAHuLkSrO9RDkq14QSakiTpBfrcmESM6fMWNJLVdOooXjCsLbxIWBCGsCW7b82WKxBj9oPLM4klK+KYnGJMh4/rNOB4r9FrqDMaGr1t8wosbgaBI8eKsIKSsi5Lcq/KmZL/qGsyuP+R6pR2N4t/+QazJLOJvtYGo0SHi/si1qqtjol79Biz/cSpK4skinddaUJKpJE1+MxUKigq8+anmHuJuS62k9bdaBC3OIEwOmhFJphcNvKKoneYJ9ZX36owKui75mxrUGz4ldlo6QnS+LXn0emkyTSYpn0omU/Yuu5yqYrXBL257G9ricjYxtK80i7KQSmM+qGqn3yTarsM+IY8LihPtvSqsLkq3UeYtA8AaaNwsLOQ6ajWYO7gFmND8oKmt0i29USyGn9rY1dOldSviUn4TqZPLwk9GnKifrlqi26sQbaQBqRCIUtaBc6CQvZK/8ZG29rEljo4aQx1OJ5AfmpN3lro//LFXlaqIqcKzDTSmv6HS/TMxRbOCVV8Gqvrbq7ekA6avklOPQiLv+Xp66QQksmo66iB9NdNrqDMB4lUzha2WXMppWt4i43/qvLqBJfDOmnrjeLTfpbiMECK7UxK/6AEnZRNK+HN5JDJsOtBj2TrfPiMUoZpDkckusppKpiQcIvP7Oot6qyD3lxpeSjstvziC+WMVqem/It8eEiQ3xCpzM14m44w6xSb3HDnswZU7MX609hqmJDnCxL5Uoc5UwqkedCWQBWoO1oii3bjrhxZif3h4oVUDUinmBqWrsMJhwninROCKtmg+vxQTLqq/GieuvStwsnpn7Q6u1I3S1proqR5XQivtgiiBUyJWrTMvrTU6bWF4s6/nIw9wioKydi7pH8otvxQqQ9Kakr8mI4z5EgA+0agl3LICMgivdDbqZzfnIWpu2vhRaKPOIMLUh7EkJGtqnd3rpZFrwzlGIbPMxBnoxTri52iZqwi3YssiaqN9y1KIXJSmwfTDymoRj/1WGXyHHeoTv9spIvw6djztsDBlIaLKIuqiG6kiWQLm8EItlvFqTGH2LZU1Wis3bBSa3FGT9RLOKm8r2VLT/uKKbKEhyP4i5Lysm6f+3iWwfSLawFOrgoWCveTELdasimz8O61xGdoG/90sYSpK4sr9rQHUsqp8YbujULWgXCFbDBKtpiOiRuuzS89irOtyrO8s61TtMgLSBKqry6IpaDGu/Hri1Sa7ojBw6sgchyBC2zoxLrkaugGRkQ/DziiryUoruJcaOepik1o8rS4sEXpNTqgozhAyTx5GFSVlAZFdGG4r14QS1n8HoMybsi7mDJCYnf4ubMuavjmYpvTfwhyrc6XwXroXmH0r18GqHnquK4QYIabmxhnJTx/Sm41vq0wzIoOvq6VCgIEh6uMZapII4rFDqqoG/lsBvtJ2Z2mhnWbKK87XKlQbOqrbix1ESvKYrN1dr3Wa6jt1DiR6KWomqWob01kRorshcis+da8s1UrpnR6vcSTLMBDBLprhGsV8ayZ6NFGBwwEZZxUT6m3lzRpEDWKba31OplmfS10LEl+igb0I9K/LjOpWNb4Ubu2BodU2CnsBeCDI/iKRr16Q+Bn+L0504x9XaQNcD+JCApSmISehbt1GWQcc2MH9XO0pANa0wQFTFjnDZFuyYIqLp0wm0dVxVDLMM6STvpMtom8kSkOkyR0TgmKhBQGSKkXykGPJrSR5bFoU/vcktOHx9M+GGfFT4ur4SxgjhX9qMfYXJGpgQukiMyZrBDppWt6nO6CqYO9MEOTfIp9h/c0ZHTwBr0NKQriLJTY14q2RXZJV+NIjOtZK8mi5GWPToa+NwDpORmIVVviRkgeObqBoNqLa/iW9OLIu5mW6CcOCH80dIRPnAKSU6bKKFgqdM5GcCO0ToFbRmPQwbRBRiMWdcG7JHfPpBRyupnSXuGBJqYcRwl/d/JBDiawSD0ixJLKeMaWUwBmbjHXSUUSjrEa0c1WrIokahSfb70EoxpQQ==</binary>
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diff changeset
1958 </binaryDataArray>
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1959 <binaryDataArray encodedLength="1200">
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diff changeset
1960 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
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1961 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
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1962 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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1963 <binary>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</binary>
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diff changeset
1964 </binaryDataArray>
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1965 </binaryDataArrayList>
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1966 </spectrum>
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1967 <spectrum index="33" id="controllerType=0 controllerNumber=1 scan=34" defaultArrayLength="587">
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diff changeset
1968 <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>
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1969 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="2"/>
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1970 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
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1971 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
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1972 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="751.359497070313" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1973 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="12645.546875" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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1974 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="73607.4921875"/>
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1975 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="249.145629882813" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1976 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1725.975341796875" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
1977 <scanList count="1">
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1978 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
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1979 <scan instrumentConfigurationRef="IC2">
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1980 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.342915" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
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1981 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="ITMS + c ESI d Full ms2 882.45@cid35.00 [230.00-1775.00]"/>
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diff changeset
1982 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="7"/>
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1983 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="82.456207275391" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
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1984 <userParam name="[Thermo Trailer Extra]Monoisotopic M/Z:" value="0" type="xsd:float"/>
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diff changeset
1985 <scanWindowList count="1">
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diff changeset
1986 <scanWindow>
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1987 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="230.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1988 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1775.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1989 </scanWindow>
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1990 </scanWindowList>
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1991 </scan>
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1992 </scanList>
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diff changeset
1993 <precursorList count="1">
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1994 <precursor spectrumRef="controllerType=0 controllerNumber=1 scan=30">
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1995 <isolationWindow>
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1996 <cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="882.45" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1997 <cvParam cvRef="MS" accession="MS:1000828" name="isolation window lower offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1998 <cvParam cvRef="MS" accession="MS:1000829" name="isolation window upper offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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1999 </isolationWindow>
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parents:
diff changeset
2000 <selectedIonList count="1">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2001 <selectedIon>
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2002 <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="882.45" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2003 <cvParam cvRef="MS" accession="MS:1000042" name="peak intensity" value="28484.853515625" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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2004 <cvParam cvRef="MS" accession="MS:1000041" name="charge state" value="1"/>
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2005 </selectedIon>
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2006 </selectedIonList>
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parents:
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2007 <activation>
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diff changeset
2008 <cvParam cvRef="MS" accession="MS:1000133" name="collision-induced dissociation" value=""/>
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parents:
diff changeset
2009 <cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="35.0" unitCvRef="UO" unitAccession="UO:0000266" unitName="electronvolt"/>
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2010 </activation>
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2011 </precursor>
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2012 </precursorList>
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2013 <binaryDataArrayList count="2">
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parents:
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2014 <binaryDataArray encodedLength="2756">
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2015 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
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2016 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
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2017 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2018 <binary>QWBPhyAAAAAY1P1+Yf//f6Hfyero/RoqfLESfBo1I69ImguEwLTnAqtRuOJa4OiniPmR2kbDGm0zhKI1D9pWSlcoY22qFISGpe504/iH4uhYATJibKdRR9E9AFEpM8DQ6v/OzhhECYGYmQv+qGQfcqXoMSgB/Uo20Zypiue87nwpSahK5hiNoDNT4isXQrIz6b3jJr85/BGI4pGZ+kluKWs2KlH/7Tn8RBWaPgGmqH3Sn9YqkL8CTiU7qVMBoupdTPyzjeCt56LiKx7RL7geG1q4Co5jniKdUjKZh+MvG+yqpjFgKJQfWjRkCqKSj8Hm4TEakq6SqIGswguxcqbfj9LLVOuhwMYyn30oqVw2ykZH6SQL5DKpGaWrE52i+GpqJz7HyV2vV+LRpdEoxYeKDGOsKKhrKhGyViF9xCuhL0MuFDG8gFMaSkj+nfBA3r9bNiNVspECF6AZyA414mf8WiojqdrNNnOhISNr5CUiMM5BrBqE4hCGAql5+tLK65yqvnW6LTYKrg6N0VMNghqXkEAgwNoTE29KkvxtI+oDSllL5zNmDjK5dSxo3jrvGz4ozn6D0aOKO9rHoSLhwnQTZi6iM3on0Qeu0HrTuL8qSa7+IqUMGyWyyp6ZjhcKkqGqH+oKHKYUKxu0MrJ9haJRk6Ir9kWh09GSNQr6o8ONalpNvSTyCRLKR9WhrGuqKLiePegCvcq+rc2s4kkgwqVfGuI+oyGl53viryxhryk30lTVWTWKgauBIJIISx6t3IUbXAeyhi8josjAvFWKEdbCUZpst54oBgE7mGpaCrpeIcKsusTzfSCNQCqt9XiqbNbUeN4gQN4h0ZX1Gaxyb+qBtvql5WDCnp0hv/KMJjnqErrJtK5ugtpvGzwgGJ8iDDIfkpc63kBGcjHaIq2Wdeud+sFqDKEZBg0/6uDznru7fS3x60Ld99OjHKGjcDQrcZqSI2CflqON3ivRXjv8vbuZt2MyXNpnKA4grUcTsBVKV7UtKNXAajosii013zpXBYov+wIbKEFyR2piJ83d2hm8ka+qDOKC16GldrjiTffRPMZfJfdMau4T9DsinTQ/xiiUKRqzSC0jBKETlcJCm+yio2NH6gyCDi/hCRIipDerXIK6jz/bIvhzErYFEaRQItuFk+IrpjMrA9ga/e5cIq5sG3jD0kzHUbs9JaPGX+o17X0pD9orNPJSwXemqiOKkpB5cqyUHtrD6W0uNOK6eNdnKyLFeqkNpipcbiJ5ZjGh+5jS/BLyp9UUoR+qYSrtdDaeU5GOI3TDasbFqSlEGRJzYSOmqQTR0OIXGoJ83phagK4rPs4x1/S6GYeYYeKKMhig8nFi0BcSPHa4IeruuhJZWaIshNJV9UEp2DIatYpoLguFIdpD1hk5zw7qMs/coomw4noAMaC8RuLUZTK42wsnhFEzUd/qzFe6LaznOit0XDY+hLHDhimmNJrYtrY12gMp9apKnCObJXz7EhWHAqhO9LI5N2mlWOCSednGplGlcnklgTcoLatz1MJm/8K0ENcgNj8axYK9rr190iSpZaInoMLzGKKnNyzSqKiRwKOLUmxSKArVqdE4gt0y86uT+NszgSs7COIY6COrRJTSyVrvriltAydvLIhRIDKdGnMkjDHtkRxNhRGrc6xaCg2oIOsWegwNGDdJsizAJzIWqdSgs/+TiHdq6hHdLFZlKkPJbi62TRKuv4ihh7d6FlgdPP6OLfFyWugIfjyBfatL4bLyEPK9IumjFrPhG3uYGRxVXOp7XSgjC+wionJTuagMqda96tNILrd3ZCIGchL29mQyrk+lxCe6E6qMK027Sr043bALoracIr3yjCh5fxNVN/p15B6jt/jiePQBx/siqwYRrcD+wv9UM6VygOKXJ+IxKhugKJbkgPmnkLbifLmkpx2pkgvBcS2G5yIzJwIgqaUaNElLNTI2K4XCKqzPDiLZkRpg5e6+S7I7SkEvKAAjrQ0SZ2PToiriot/1cimuuCo8MCu/te2zbMwsTbtKz8VtujtUshsuqzvN4ulSEqoVN9JT44GtbvvCpLoCJx/sKrC7TrUvl61UidLVTeS2ZYEt8jAaU7GrJ6CZHJoFqdKF4rMlMyghlRrnLc6vlfiyxa6RKHWwEqOeoqGVmtzPWbjbdK+87uI6DwSncZqyXL77oPGLM+z5oqz2sqIdAcJupqgegHDxFKV+dZgm1Z6QsMBbIhHqKRiKtuswm0E7KAAa76l5KgDQanrL+qh1UEK6+5qnAeFh/WqEOYz16eGelZgZOrVb2gdZo65MU6FqL9E5FUMMwQhVFOnDLWoSoX9RqT5K4bvrERFHzkIp1EetwvdqZRCWJJGijYG5DwUl6ts4bhEi9kESQG30ncUIySCJyyGORsQpNM7q2jySjSymwRLf3AU2yE0rwl9hpcjJWXgQOqqO/AykFG6R/AwUEnF2iZmpch4vjVux00L/Gc8N0+H2T/E5EtdGyqWz7aeMT7p7CFcV/uIjLn2KMvxMHpNrUF6vvLaJofuQ43QQY3i64Y3vIhHjvnA5IRvl2f8w5uHMZ5IxTfegOYDIMKGbA2kpQ/rPwsVxExp0HIcdeWhClkBwJxnwA5GsdbeBlBOGaahxGHEe1dY5rI+qwQ3tLjlkXiDCTYTUq8uRwSlxExkvtcjh6rzleQ2mJrvXL5GB8XwZsBn/upMMOxbWsHafkxN5GjU0Yx4o42UFfJy6IPdVo/0FrLOhME5yQlwWhoKKCbUxLOqj1Uw=</binary>
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diff changeset
2019 </binaryDataArray>
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diff changeset
2020 <binaryDataArray encodedLength="948">
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diff changeset
2021 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
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diff changeset
2022 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
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diff changeset
2023 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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diff changeset
2024 <binary>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</binary>
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parents:
diff changeset
2025 </binaryDataArray>
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parents:
diff changeset
2026 </binaryDataArrayList>
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parents:
diff changeset
2027 </spectrum>
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diff changeset
2028 <spectrum index="34" id="controllerType=0 controllerNumber=1 scan=35" defaultArrayLength="513" dataProcessingRef="pwiz_Reader_conversion">
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parents:
diff changeset
2029 <cvParam cvRef="MS" accession="MS:1000579" name="MS1 spectrum" value=""/>
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diff changeset
2030 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1"/>
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parents:
diff changeset
2031 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
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parents:
diff changeset
2032 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
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diff changeset
2033 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="810.415100097656" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
2034 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="1.740913e06" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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diff changeset
2035 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="1.6495375e07"/>
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parents:
diff changeset
2036 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="200.00018816645" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
2037 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="2000.009946620377" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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parents:
diff changeset
2038 <scanList count="1">
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parents:
diff changeset
2039 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2040 <scan>
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diff changeset
2041 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.358558333333" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
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diff changeset
2042 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="FTMS + p ESI Full ms [200.00-2000.00]"/>
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parents:
diff changeset
2043 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="1"/>
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parents:
diff changeset
2044 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="66.962379455566" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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parents:
diff changeset
2045 <scanWindowList count="1">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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parents:
diff changeset
2046 <scanWindow>
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parents:
diff changeset
2047 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="200.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
2048 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="2000.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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parents:
diff changeset
2049 </scanWindow>
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parents:
diff changeset
2050 </scanWindowList>
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diff changeset
2051 </scan>
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parents:
diff changeset
2052 </scanList>
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diff changeset
2053 <binaryDataArrayList count="2">
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diff changeset
2054 <binaryDataArray encodedLength="2448">
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diff changeset
2055 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
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diff changeset
2056 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
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diff changeset
2057 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2059 </binaryDataArray>
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diff changeset
2061 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
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2062 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
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diff changeset
2063 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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2065 </binaryDataArray>
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diff changeset
2066 </binaryDataArrayList>
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2067 </spectrum>
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diff changeset
2068 <spectrum index="35" id="controllerType=0 controllerNumber=1 scan=36" defaultArrayLength="732" dataProcessingRef="pwiz_Reader_conversion">
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2069 <cvParam cvRef="MS" accession="MS:1000579" name="MS1 spectrum" value=""/>
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2070 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1"/>
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2071 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
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2072 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
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2073 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="810.545532226563" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2074 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="1.057720703125e05" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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diff changeset
2075 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="6.5487065e06"/>
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diff changeset
2076 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="200.090909093618" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
2077 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="2000.00005364418" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
2078 <scanList count="1">
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2079 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
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diff changeset
2080 <scan instrumentConfigurationRef="IC2">
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diff changeset
2081 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.361428333333" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
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diff changeset
2082 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="ITMS + p ESI Full ms [200.00-2000.00]"/>
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diff changeset
2083 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="2"/>
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diff changeset
2084 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="1.416100502014" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
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diff changeset
2085 <scanWindowList count="1">
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diff changeset
2086 <scanWindow>
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2087 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="200.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
2088 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="2000.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
2089 </scanWindow>
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2090 </scanWindowList>
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2091 </scan>
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diff changeset
2092 </scanList>
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diff changeset
2093 <binaryDataArrayList count="2">
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2095 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
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2096 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
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diff changeset
2097 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2107 </spectrum>
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dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2110 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="2"/>
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2111 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2115 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="1.04157375e06"/>
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dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2119 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2125 <userParam name="[Thermo Trailer Extra]Monoisotopic M/Z:" value="0" type="xsd:float"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2126 <scanWindowList count="1">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2127 <scanWindow>
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2128 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="210.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2129 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1635.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2130 </scanWindow>
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2131 </scanWindowList>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2132 </scan>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2133 </scanList>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2134 <precursorList count="1">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2135 <precursor spectrumRef="controllerType=0 controllerNumber=1 scan=36">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2137 <cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="810.73" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2138 <cvParam cvRef="MS" accession="MS:1000828" name="isolation window lower offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2139 <cvParam cvRef="MS" accession="MS:1000829" name="isolation window upper offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2140 </isolationWindow>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2141 <selectedIonList count="1">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2142 <selectedIon>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2143 <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="810.73" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2144 <cvParam cvRef="MS" accession="MS:1000042" name="peak intensity" value="1.057720703125e05" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2145 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="2"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2146 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="3"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2147 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="4"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2148 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="5"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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parents:
diff changeset
2149 </selectedIon>
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parents:
diff changeset
2150 </selectedIonList>
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diff changeset
2151 <activation>
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diff changeset
2152 <cvParam cvRef="MS" accession="MS:1000133" name="collision-induced dissociation" value=""/>
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parents:
diff changeset
2153 <cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="35.0" unitCvRef="UO" unitAccession="UO:0000266" unitName="electronvolt"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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parents:
diff changeset
2154 </activation>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2155 </precursor>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2156 </precursorList>
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diff changeset
2157 <binaryDataArrayList count="2">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2159 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
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parents:
diff changeset
2160 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
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diff changeset
2161 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2163 </binaryDataArray>
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2164 <binaryDataArray encodedLength="1260">
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diff changeset
2165 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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parents:
diff changeset
2166 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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parents:
diff changeset
2167 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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parents:
diff changeset
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dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2169 </binaryDataArray>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2170 </binaryDataArrayList>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2171 </spectrum>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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parents:
diff changeset
2172 <spectrum index="37" id="controllerType=0 controllerNumber=1 scan=38" defaultArrayLength="1064">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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parents:
diff changeset
2173 <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2174 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="2"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2175 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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parents:
diff changeset
2176 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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parents:
diff changeset
2177 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="780.556762695313" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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parents:
diff changeset
2178 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="43208.48828125" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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parents:
diff changeset
2179 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="6.267113125e05"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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parents:
diff changeset
2180 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="234.088943481445" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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parents:
diff changeset
2181 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1587.02490234375" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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parents:
diff changeset
2182 <scanList count="1">
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diff changeset
2183 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2184 <scan instrumentConfigurationRef="IC2">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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parents:
diff changeset
2185 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.376578333333" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2186 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="ITMS + c ESI d Full ms2 837.35@cid35.00 [220.00-1685.00]"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2187 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="4"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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parents:
diff changeset
2188 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="15.733367919922" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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parents:
diff changeset
2189 <userParam name="[Thermo Trailer Extra]Monoisotopic M/Z:" value="0" type="xsd:float"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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parents:
diff changeset
2190 <scanWindowList count="1">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2191 <scanWindow>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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parents:
diff changeset
2192 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="220.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2193 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1685.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2194 </scanWindow>
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diff changeset
2195 </scanWindowList>
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diff changeset
2196 </scan>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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parents:
diff changeset
2197 </scanList>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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parents:
diff changeset
2198 <precursorList count="1">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2199 <precursor spectrumRef="controllerType=0 controllerNumber=1 scan=36">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2200 <isolationWindow>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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parents:
diff changeset
2201 <cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="837.35" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2202 <cvParam cvRef="MS" accession="MS:1000828" name="isolation window lower offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2203 <cvParam cvRef="MS" accession="MS:1000829" name="isolation window upper offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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parents:
diff changeset
2204 </isolationWindow>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2205 <selectedIonList count="1">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2206 <selectedIon>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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parents:
diff changeset
2207 <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="837.35" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2208 <cvParam cvRef="MS" accession="MS:1000042" name="peak intensity" value="44373.89453125" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2209 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="2"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2210 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="3"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2211 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="4"/>
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2212 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="5"/>
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2213 </selectedIon>
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2214 </selectedIonList>
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2215 <activation>
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2216 <cvParam cvRef="MS" accession="MS:1000133" name="collision-induced dissociation" value=""/>
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2217 <cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="35.0" unitCvRef="UO" unitAccession="UO:0000266" unitName="electronvolt"/>
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2218 </activation>
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2219 </precursor>
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2220 </precursorList>
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2221 <binaryDataArrayList count="2">
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2222 <binaryDataArray encodedLength="4840">
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2223 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
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2224 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
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2225 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2227 </binaryDataArray>
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2228 <binaryDataArray encodedLength="2272">
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2229 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
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2230 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
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2231 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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2233 </binaryDataArray>
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2234 </binaryDataArrayList>
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2235 </spectrum>
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2237 <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>
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2238 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="2"/>
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2239 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
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2240 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
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2241 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="634.733764648438" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2242 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="21934.2734375" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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2243 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="1.090427265625e05"/>
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2244 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="191.083465576172" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2245 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1264.11962890625" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2246 <scanList count="1">
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2247 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
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2248 <scan instrumentConfigurationRef="IC2">
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2249 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.388673333333" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
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2250 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="ITMS + c ESI d Full ms2 643.73@cid35.00 [165.00-1300.00]"/>
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2251 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="5"/>
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2252 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="57.842155456543" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
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2253 <userParam name="[Thermo Trailer Extra]Monoisotopic M/Z:" value="0" type="xsd:float"/>
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2254 <scanWindowList count="1">
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2255 <scanWindow>
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2256 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="165.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2257 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1300.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2258 </scanWindow>
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2259 </scanWindowList>
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2260 </scan>
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2261 </scanList>
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2262 <precursorList count="1">
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2263 <precursor spectrumRef="controllerType=0 controllerNumber=1 scan=36">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2264 <isolationWindow>
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diff changeset
2265 <cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="643.73" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
2266 <cvParam cvRef="MS" accession="MS:1000828" name="isolation window lower offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
2267 <cvParam cvRef="MS" accession="MS:1000829" name="isolation window upper offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
2268 </isolationWindow>
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2269 <selectedIonList count="1">
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2270 <selectedIon>
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diff changeset
2271 <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="643.73" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
2272 <cvParam cvRef="MS" accession="MS:1000042" name="peak intensity" value="15927.515625" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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diff changeset
2273 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="2"/>
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diff changeset
2274 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="3"/>
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diff changeset
2275 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="4"/>
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diff changeset
2276 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="5"/>
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2277 </selectedIon>
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2278 </selectedIonList>
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diff changeset
2279 <activation>
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diff changeset
2280 <cvParam cvRef="MS" accession="MS:1000133" name="collision-induced dissociation" value=""/>
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diff changeset
2281 <cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="35.0" unitCvRef="UO" unitAccession="UO:0000266" unitName="electronvolt"/>
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parents:
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2282 </activation>
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2283 </precursor>
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2284 </precursorList>
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diff changeset
2285 <binaryDataArrayList count="2">
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2286 <binaryDataArray encodedLength="3064">
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diff changeset
2287 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
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diff changeset
2288 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
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diff changeset
2289 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2291 </binaryDataArray>
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2292 <binaryDataArray encodedLength="1136">
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2293 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
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2294 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
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2295 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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2298 </binaryDataArrayList>
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2299 </spectrum>
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2300 <spectrum index="39" id="controllerType=0 controllerNumber=1 scan=40" defaultArrayLength="875">
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2301 <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>
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2302 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="2"/>
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2303 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
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2304 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
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2305 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="668.666259765625" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2306 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="17611.240234375" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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2307 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="1.56294984375e05"/>
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2308 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="208.148849487305" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2309 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1390.706420898438" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
2310 <scanList count="1">
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2311 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
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2312 <scan instrumentConfigurationRef="IC2">
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2313 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.401961666667" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
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2314 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="ITMS + c ESI d Full ms2 725.68@cid35.00 [185.00-1465.00]"/>
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2315 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="6"/>
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2316 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="47.00904083252" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
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diff changeset
2317 <userParam name="[Thermo Trailer Extra]Monoisotopic M/Z:" value="0" type="xsd:float"/>
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2318 <scanWindowList count="1">
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2319 <scanWindow>
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diff changeset
2320 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="185.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
2321 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1465.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2322 </scanWindow>
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2323 </scanWindowList>
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2324 </scan>
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2325 </scanList>
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2326 <precursorList count="1">
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diff changeset
2327 <precursor spectrumRef="controllerType=0 controllerNumber=1 scan=36">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2328 <isolationWindow>
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diff changeset
2329 <cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="725.68" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
2330 <cvParam cvRef="MS" accession="MS:1000828" name="isolation window lower offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
2331 <cvParam cvRef="MS" accession="MS:1000829" name="isolation window upper offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2332 </isolationWindow>
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diff changeset
2333 <selectedIonList count="1">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2334 <selectedIon>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2335 <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="725.68" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2336 <cvParam cvRef="MS" accession="MS:1000042" name="peak intensity" value="19426.4765625" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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diff changeset
2337 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="2"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2338 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="3"/>
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diff changeset
2339 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="4"/>
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diff changeset
2340 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="5"/>
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2341 </selectedIon>
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2342 </selectedIonList>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2343 <activation>
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diff changeset
2344 <cvParam cvRef="MS" accession="MS:1000133" name="collision-induced dissociation" value=""/>
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diff changeset
2345 <cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="35.0" unitCvRef="UO" unitAccession="UO:0000266" unitName="electronvolt"/>
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2346 </activation>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2347 </precursor>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2348 </precursorList>
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2349 <binaryDataArrayList count="2">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2350 <binaryDataArray encodedLength="4012">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2351 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2352 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
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diff changeset
2353 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
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2355 </binaryDataArray>
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2356 <binaryDataArray encodedLength="1604">
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2357 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
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2358 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
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2359 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2361 </binaryDataArray>
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2362 </binaryDataArrayList>
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2363 </spectrum>
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2364 <spectrum index="40" id="controllerType=0 controllerNumber=1 scan=41" defaultArrayLength="754">
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2365 <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>
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diff changeset
2366 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="2"/>
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diff changeset
2367 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
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diff changeset
2368 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
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diff changeset
2369 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="666.037231445313" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
2370 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="10264.2724609375" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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diff changeset
2371 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="79339.078125"/>
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2372 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="191.97200012207" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
2373 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1289.623168945313" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
2374 <scanList count="1">
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2375 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
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2376 <scan instrumentConfigurationRef="IC2">
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diff changeset
2377 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.415131666667" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
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2378 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="ITMS + c ESI d Full ms2 674.70@cid35.00 [175.00-1360.00]"/>
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diff changeset
2379 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="7"/>
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diff changeset
2380 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="56.725494384766" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
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diff changeset
2381 <userParam name="[Thermo Trailer Extra]Monoisotopic M/Z:" value="0" type="xsd:float"/>
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diff changeset
2382 <scanWindowList count="1">
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diff changeset
2383 <scanWindow>
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2384 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="175.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
2385 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1360.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
2386 </scanWindow>
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2387 </scanWindowList>
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2388 </scan>
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2389 </scanList>
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2390 <precursorList count="1">
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2391 <precursor spectrumRef="controllerType=0 controllerNumber=1 scan=36">
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2392 <isolationWindow>
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2393 <cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="674.7" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2394 <cvParam cvRef="MS" accession="MS:1000828" name="isolation window lower offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2395 <cvParam cvRef="MS" accession="MS:1000829" name="isolation window upper offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2396 </isolationWindow>
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2397 <selectedIonList count="1">
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2398 <selectedIon>
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2399 <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="674.7" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2400 <cvParam cvRef="MS" accession="MS:1000042" name="peak intensity" value="10586.8896484375" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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2401 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="2"/>
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2402 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="3"/>
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2403 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="4"/>
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2404 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="5"/>
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2405 </selectedIon>
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2406 </selectedIonList>
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2407 <activation>
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2408 <cvParam cvRef="MS" accession="MS:1000133" name="collision-induced dissociation" value=""/>
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2409 <cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="35.0" unitCvRef="UO" unitAccession="UO:0000266" unitName="electronvolt"/>
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2410 </activation>
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2411 </precursor>
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2412 </precursorList>
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2413 <binaryDataArrayList count="2">
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2414 <binaryDataArray encodedLength="3504">
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2415 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
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2416 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
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2417 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2419 </binaryDataArray>
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2421 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
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2422 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
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2423 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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2425 </binaryDataArray>
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2426 </binaryDataArrayList>
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2427 </spectrum>
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diff changeset
2428 <spectrum index="41" id="controllerType=0 controllerNumber=1 scan=42" defaultArrayLength="1343" dataProcessingRef="pwiz_Reader_conversion">
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2429 <cvParam cvRef="MS" accession="MS:1000579" name="MS1 spectrum" value=""/>
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2430 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1"/>
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2431 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
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2432 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
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diff changeset
2433 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="810.41845703125" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
2434 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="1.360808875e06" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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2435 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="1.2015003e07"/>
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diff changeset
2436 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="200.00018816645" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
2437 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="2000.009946620377" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2438 <scanList count="1">
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2439 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
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2440 <scan>
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2441 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.428483333333" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
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2442 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="FTMS + p ESI Full ms [200.00-2000.00]"/>
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diff changeset
2443 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="1"/>
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diff changeset
2444 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="178.920639038086" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2445 <scanWindowList count="1">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2446 <scanWindow>
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2447 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="200.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
2448 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="2000.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2449 </scanWindow>
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2450 </scanWindowList>
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2451 </scan>
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2452 </scanList>
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2453 <binaryDataArrayList count="2">
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2454 <binaryDataArray encodedLength="6284">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2455 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
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diff changeset
2456 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
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diff changeset
2457 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2458 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2459 </binaryDataArray>
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2460 <binaryDataArray encodedLength="3732">
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2461 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
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2462 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
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2463 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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2465 </binaryDataArray>
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2466 </binaryDataArrayList>
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2467 </spectrum>
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2468 <spectrum index="42" id="controllerType=0 controllerNumber=1 scan=43" defaultArrayLength="1066" dataProcessingRef="pwiz_Reader_conversion">
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2469 <cvParam cvRef="MS" accession="MS:1000579" name="MS1 spectrum" value=""/>
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2470 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1"/>
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2471 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
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2472 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
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2473 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="810.636352539063" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2474 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="1.744729375e05" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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2475 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="1.3332331e07"/>
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2476 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="200.090909093618" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2477 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="2000.00005364418" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2478 <scanList count="1">
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2479 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
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2480 <scan instrumentConfigurationRef="IC2">
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2481 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.433221666667" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
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2482 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="ITMS + p ESI Full ms [200.00-2000.00]"/>
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2483 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="2"/>
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2484 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="2.420493364334" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
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2485 <scanWindowList count="1">
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2486 <scanWindow>
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2487 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="200.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2488 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="2000.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2489 </scanWindow>
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2490 </scanWindowList>
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2491 </scan>
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2492 </scanList>
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2493 <binaryDataArrayList count="2">
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2494 <binaryDataArray encodedLength="4932">
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2495 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
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2496 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
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2497 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2499 </binaryDataArray>
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2501 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
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2502 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
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2503 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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2505 </binaryDataArray>
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2506 </binaryDataArrayList>
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2507 </spectrum>
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2508 <spectrum index="43" id="controllerType=0 controllerNumber=1 scan=44" defaultArrayLength="611">
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2509 <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>
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diff changeset
2510 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="2"/>
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diff changeset
2511 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
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diff changeset
2512 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
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diff changeset
2513 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="736.655517578125" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
2514 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="2.5759378125e05" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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diff changeset
2515 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="9.2507325e05"/>
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2516 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="234.160949707031" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
2517 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1574.40625" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
2518 <scanList count="1">
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diff changeset
2519 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
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diff changeset
2520 <scan instrumentConfigurationRef="IC2">
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diff changeset
2521 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.436566666667" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
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diff changeset
2522 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="ITMS + c ESI d Full ms2 810.82@cid35.00 [210.00-1635.00]"/>
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diff changeset
2523 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="3"/>
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diff changeset
2524 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="11.191861152649" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
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diff changeset
2525 <userParam name="[Thermo Trailer Extra]Monoisotopic M/Z:" value="0" type="xsd:float"/>
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diff changeset
2526 <scanWindowList count="1">
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diff changeset
2527 <scanWindow>
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2528 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="210.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
2529 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1635.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2530 </scanWindow>
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2531 </scanWindowList>
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2532 </scan>
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2533 </scanList>
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2534 <precursorList count="1">
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2535 <precursor spectrumRef="controllerType=0 controllerNumber=1 scan=43">
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2536 <isolationWindow>
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2537 <cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="810.82" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2538 <cvParam cvRef="MS" accession="MS:1000828" name="isolation window lower offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2539 <cvParam cvRef="MS" accession="MS:1000829" name="isolation window upper offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2540 </isolationWindow>
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2541 <selectedIonList count="1">
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2542 <selectedIon>
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2543 <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="810.82" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2544 <cvParam cvRef="MS" accession="MS:1000042" name="peak intensity" value="1.744729375e05" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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2545 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="2"/>
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2546 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="3"/>
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2547 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="4"/>
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2548 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="5"/>
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2549 </selectedIon>
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2550 </selectedIonList>
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2551 <activation>
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2552 <cvParam cvRef="MS" accession="MS:1000133" name="collision-induced dissociation" value=""/>
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2553 <cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="35.0" unitCvRef="UO" unitAccession="UO:0000266" unitName="electronvolt"/>
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2554 </activation>
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2555 </precursor>
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2556 </precursorList>
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2557 <binaryDataArrayList count="2">
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2558 <binaryDataArray encodedLength="2900">
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2559 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
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2560 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
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2561 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2634 </binaryDataArrayList>
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2635 </spectrum>
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2642 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="12934.240234375" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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2645 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1290.9375" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2646 <scanList count="1">
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2647 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
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2650 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="ITMS + c ESI d Full ms2 674.84@cid35.00 [175.00-1360.00]"/>
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2651 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="5"/>
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2652 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="40.170734405518" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
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2653 <userParam name="[Thermo Trailer Extra]Monoisotopic M/Z:" value="0" type="xsd:float"/>
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2654 <scanWindowList count="1">
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2655 <scanWindow>
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2656 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="175.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2658 </scanWindow>
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2659 </scanWindowList>
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2660 </scan>
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2661 </scanList>
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2664 <isolationWindow>
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2665 <cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="674.84" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2666 <cvParam cvRef="MS" accession="MS:1000828" name="isolation window lower offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2667 <cvParam cvRef="MS" accession="MS:1000829" name="isolation window upper offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2668 </isolationWindow>
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2669 <selectedIonList count="1">
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2670 <selectedIon>
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2671 <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="674.84" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2672 <cvParam cvRef="MS" accession="MS:1000042" name="peak intensity" value="21437.576171875" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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2673 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="2"/>
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2674 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="3"/>
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2675 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="4"/>
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2676 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="5"/>
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2677 </selectedIon>
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2678 </selectedIonList>
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2679 <activation>
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2680 <cvParam cvRef="MS" accession="MS:1000133" name="collision-induced dissociation" value=""/>
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2681 <cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="35.0" unitCvRef="UO" unitAccession="UO:0000266" unitName="electronvolt"/>
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2682 </activation>
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2683 </precursor>
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2684 </precursorList>
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2685 <binaryDataArrayList count="2">
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2686 <binaryDataArray encodedLength="3360">
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2687 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
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2688 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
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2689 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2691 </binaryDataArray>
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2693 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
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diff changeset
2694 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
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diff changeset
2695 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2697 </binaryDataArray>
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2698 </binaryDataArrayList>
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diff changeset
2699 </spectrum>
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2700 <spectrum index="46" id="controllerType=0 controllerNumber=1 scan=47" defaultArrayLength="659">
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2701 <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>
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2702 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="2"/>
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2703 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
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diff changeset
2704 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
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diff changeset
2705 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="579.269470214844" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2706 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="13265.3984375" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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2707 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="1.006161953125e05"/>
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2708 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="166.269653320313" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2709 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1127.5830078125" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2710 <scanList count="1">
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2711 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
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2712 <scan instrumentConfigurationRef="IC2">
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2713 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.473103333333" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
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2714 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="ITMS + c ESI d Full ms2 558.90@cid35.00 [140.00-1130.00]"/>
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2715 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="6"/>
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2716 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="83.05224609375" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
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2717 <userParam name="[Thermo Trailer Extra]Monoisotopic M/Z:" value="0" type="xsd:float"/>
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2718 <scanWindowList count="1">
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2719 <scanWindow>
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2720 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="140.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2721 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1130.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2722 </scanWindow>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2723 </scanWindowList>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2724 </scan>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2725 </scanList>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2726 <precursorList count="1">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2727 <precursor spectrumRef="controllerType=0 controllerNumber=1 scan=43">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2728 <isolationWindow>
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diff changeset
2729 <cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="558.9" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2730 <cvParam cvRef="MS" accession="MS:1000828" name="isolation window lower offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2731 <cvParam cvRef="MS" accession="MS:1000829" name="isolation window upper offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2732 </isolationWindow>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2733 <selectedIonList count="1">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2734 <selectedIon>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2735 <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="558.9" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2736 <cvParam cvRef="MS" accession="MS:1000042" name="peak intensity" value="21319.5234375" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2737 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="2"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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parents:
diff changeset
2738 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="3"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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parents:
diff changeset
2739 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="4"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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parents:
diff changeset
2740 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="5"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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parents:
diff changeset
2741 </selectedIon>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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parents:
diff changeset
2742 </selectedIonList>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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parents:
diff changeset
2743 <activation>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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parents:
diff changeset
2744 <cvParam cvRef="MS" accession="MS:1000133" name="collision-induced dissociation" value=""/>
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parents:
diff changeset
2745 <cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="35.0" unitCvRef="UO" unitAccession="UO:0000266" unitName="electronvolt"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2746 </activation>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2747 </precursor>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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parents:
diff changeset
2748 </precursorList>
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parents:
diff changeset
2749 <binaryDataArrayList count="2">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2750 <binaryDataArray encodedLength="3100">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2751 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2752 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2753 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2755 </binaryDataArray>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2756 <binaryDataArray encodedLength="1136">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2757 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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parents:
diff changeset
2758 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2759 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
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dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2761 </binaryDataArray>
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2762 </binaryDataArrayList>
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diff changeset
2763 </spectrum>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2764 <spectrum index="47" id="controllerType=0 controllerNumber=1 scan=48" defaultArrayLength="636">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2765 <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2766 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="2"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2767 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2768 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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parents:
diff changeset
2769 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="751.390747070313" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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parents:
diff changeset
2770 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="13049.5205078125" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2771 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="77939.0078125"/>
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diff changeset
2772 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="251.112335205078" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2773 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1743.361206054688" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2774 <scanList count="1">
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2775 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2776 <scan instrumentConfigurationRef="IC2">
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diff changeset
2777 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.487236666667" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2778 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="ITMS + c ESI d Full ms2 882.54@cid35.00 [230.00-1780.00]"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2779 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="7"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2780 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="86.348022460938" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2781 <userParam name="[Thermo Trailer Extra]Monoisotopic M/Z:" value="0" type="xsd:float"/>
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2782 <scanWindowList count="1">
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2783 <scanWindow>
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diff changeset
2784 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="230.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
2785 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1780.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2786 </scanWindow>
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2787 </scanWindowList>
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2788 </scan>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2789 </scanList>
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2790 <precursorList count="1">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2791 <precursor spectrumRef="controllerType=0 controllerNumber=1 scan=43">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2792 <isolationWindow>
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2793 <cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="882.54" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2795 <cvParam cvRef="MS" accession="MS:1000829" name="isolation window upper offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2796 </isolationWindow>
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2797 <selectedIonList count="1">
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2798 <selectedIon>
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diff changeset
2799 <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="882.54" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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diff changeset
2800 <cvParam cvRef="MS" accession="MS:1000042" name="peak intensity" value="29807.576171875" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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2801 <cvParam cvRef="MS" accession="MS:1000041" name="charge state" value="1"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2802 </selectedIon>
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2803 </selectedIonList>
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2804 <activation>
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diff changeset
2805 <cvParam cvRef="MS" accession="MS:1000133" name="collision-induced dissociation" value=""/>
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diff changeset
2806 <cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="35.0" unitCvRef="UO" unitAccession="UO:0000266" unitName="electronvolt"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2807 </activation>
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2808 </precursor>
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2809 </precursorList>
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2810 <binaryDataArrayList count="2">
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2812 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
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diff changeset
2813 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
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diff changeset
2814 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
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2816 </binaryDataArray>
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2817 <binaryDataArray encodedLength="1012">
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2818 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2819 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
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diff changeset
2820 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2824 </spectrum>
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2825 </spectrumList>
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dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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diff changeset
2828 <cvParam cvRef="MS" accession="MS:1000235" name="total ion current chromatogram" value=""/>
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dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2831 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" value=""/>
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2832 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" value=""/>
dd4ba10d0c45 planemo upload commit b4871f9659a924a68430aed3a93f4f9bad733fd6
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2833 <cvParam cvRef="MS" accession="MS:1000595" name="time array" value="" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
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2837 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
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2839 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
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2843 </chromatogram>
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2844 </chromatogramList>
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2845 </run>
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2846 </mzML>
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