comparison test-data/MM14.mzML @ 29:2a2850fdf29e draft

planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/ commit 2cb157bd9a8701a3d6874e084032cbd050b8953e
author workflow4metabolomics
date Mon, 11 Sep 2023 09:23:36 +0000
parents
children
comparison
equal deleted inserted replaced
28:018a9771de28 29:2a2850fdf29e
1 <?xml version="1.0" encoding="ISO-8859-1"?>
2 <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" accession="" version="1.1">
3 <cvList count="2">
4 <cv id="MS" fullName="Proteomics Standards Initiative Mass Spectrometry Ontology" URI="http://psidev.cvs.sourceforge.net/*checkout*/psidev/psi/psi-ms/mzML/controlledVocabulary/psi-ms.obo"/>
5 <cv id="UO" fullName="Unit Ontology" URI="http://obo.cvs.sourceforge.net/obo/obo/ontology/phenotype/unit.obo"/>
6 </cvList>
7 <fileDescription>
8 <fileContent>
9 <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
10 </fileContent>
11 <sourceFileList count="1">
12 <sourceFile id="sf_ru_0" name="analysis.baf" location="MM14_20uM_2-A%2c4_01_1745.d/">
13 <cvParam cvRef="MS" accession="MS:1000569" name="SHA-1" value="" />
14 <cvParam cvRef="MS" accession="MS:1000564" name="PSI mzData file" />
15 <cvParam cvRef="MS" accession="MS:1000824" name="no nativeID format" />
16 </sourceFile>
17 </sourceFileList>
18 <contact>
19 <cvParam cvRef="MS" accession="MS:1000586" name="contact name" value="Customer, Bruker" />
20 <cvParam cvRef="MS" accession="MS:1000590" name="contact organization" value="" />
21 </contact>
22 </fileDescription>
23 <sampleList count="1">
24 <sample id="sa_0" name="MM14_20uM">
25 <cvParam cvRef="MS" accession="MS:1000004" name="sample mass" value="0" unitAccession="UO:0000021" unitName="gram" unitCvRef="UO" />
26 <cvParam cvRef="MS" accession="MS:1000005" name="sample volume" value="0" unitAccession="UO:0000098" unitName="milliliter" unitCvRef="UO" />
27 <cvParam cvRef="MS" accession="MS:1000006" name="sample concentration" value="0" unitAccession="UO:0000175" unitName="gram per liter" unitCvRef="UO" />
28 </sample>
29 </sampleList>
30 <softwareList count="3">
31 <software id="so_in_0" version="" >
32 <cvParam cvRef="MS" accession="MS:1000799" name="custom unreleased software tool" value="" />
33 </software>
34 <software id="so_dp_0" version="1.3.3" >
35 <cvParam cvRef="MS" accession="MS:1000717" name="CompassXport" />
36 </software>
37 <software id="so_dp_1" version="1.4" >
38 <cvParam cvRef="MS" accession="MS:1000756" name="FileConverter" />
39 </software>
40 </softwareList>
41 <instrumentConfigurationList count="1">
42 <instrumentConfiguration id="ic_0">
43 <cvParam cvRef="MS" accession="MS:1000031" name="instrument model" />
44 <componentList count="3">
45 <source order="0">
46 <cvParam cvRef="MS" accession="MS:1000073" name="electrospray ionization" />
47 </source>
48 <analyzer order="0">
49 <cvParam cvRef="MS" accession="MS:1000014" name="accuracy" value="0" unitAccession="UO:0000169" unitName="parts per million" unitCvRef="UO" />
50 <cvParam cvRef="MS" accession="MS:1000022" name="TOF Total Path Length" value="0" unitAccession="UO:0000008" unitName="meter" unitCvRef="UO" />
51 <cvParam cvRef="MS" accession="MS:1000024" name="final MS exponent" value="0" />
52 <cvParam cvRef="MS" accession="MS:1000025" name="magnetic field strength" value="0" unitAccession="UO:0000228" unitName="tesla" unitCvRef="UO" />
53 <cvParam cvRef="MS" accession="MS:1000443" name="mass analyzer type" />
54 </analyzer>
55 <detector order="0">
56 <cvParam cvRef="MS" accession="MS:1000028" name="detector resolution" value="0" />
57 <cvParam cvRef="MS" accession="MS:1000029" name="sampling frequency" value="0" unitAccession="UO:0000106" unitName="hertz" unitCvRef="UO" />
58 <cvParam cvRef="MS" accession="MS:1000026" name="detector type" />
59 </detector>
60 </componentList>
61 <softwareRef ref="so_in_0" />
62 </instrumentConfiguration>
63 </instrumentConfigurationList>
64 <dataProcessingList count="1">
65 <dataProcessing id="dp_ru_0">
66 <processingMethod order="0" softwareRef="so_dp_0">
67 <cvParam cvRef="MS" accession="MS:1000034" name="charge deconvolution" />
68 <cvParam cvRef="MS" accession="MS:1000033" name="deisotoping" />
69 <cvParam cvRef="MS" accession="MS:1000747" name="completion time" value="2008-04-17+05:41" />
70 </processingMethod>
71 <processingMethod order="0" softwareRef="so_dp_1">
72 <cvParam cvRef="MS" accession="MS:1000544" name="Conversion to mzML" />
73 <cvParam cvRef="MS" accession="MS:1000747" name="completion time" value="2010-01-05+22:44" />
74 <userParam name="parameter: in" type="xsd:string" value="MM14.mzdata"/>
75 <userParam name="parameter: out" type="xsd:string" value="MM14.mzML"/>
76 </processingMethod>
77 </dataProcessing>
78 </dataProcessingList>
79 <run id="ru_0" defaultInstrumentConfigurationRef="ic_0" sampleRef="sa_0" defaultSourceFileRef="sf_ru_0">
80 <spectrumList count="112" defaultDataProcessingRef="dp_ru_0">
81 <spectrum id="spectrum=1" index="0" defaultArrayLength="1378">
82 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" />
83 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
84 <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
85 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
86 <scanList count="1">
87 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" />
88 <scan externalSpectrumID="1">
89 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="270.334" unitAccession="UO:0000010" unitName="second" unitCvRef="UO" />
90 <scanWindowList count="1">
91 <scanWindow>
92 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="110.143" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
93 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1004.73" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
94 </scanWindow>
95 </scanWindowList>
96 </scan>
97 </scanList>
98 <binaryDataArrayList count="2">
99 <binaryDataArray encodedLength="14700">
100 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
101 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" />
102 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
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139 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" />
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178 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" />
179 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
180 <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
181 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
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198 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
199 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210 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" />
211 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
212 <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
213 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
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215 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" />
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218 <scanWindowList count="1">
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220 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="95.4113" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
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229 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" />
230 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
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262 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
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275 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
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294 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
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306 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" />
307 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
308 <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
309 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
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314 <scanWindowList count="1">
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317 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1001.5" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
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325 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" />
326 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
327 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358 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
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390 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
391 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403 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
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413 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1004.22" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
414 </scanWindow>
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422 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
423 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454 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
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467 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
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486 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
487 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491 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" />
492 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
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498 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" />
499 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
500 <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
501 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
502 <scanList count="1">
503 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" />
504 <scan externalSpectrumID="1">
505 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="274.707" unitAccession="UO:0000010" unitName="second" unitCvRef="UO" />
506 <scanWindowList count="1">
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508 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="97.3733" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
509 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1003.14" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
510 </scanWindow>
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517 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" />
518 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
519 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523 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" />
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582 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
583 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651 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" />
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682 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" unitAccession="MS:1000131" unitName="number of counts" unitCvRef="MS"/>
683 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" />
684 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
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710 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
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742 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
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784 </spectrum>
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786 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" />
787 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
788 <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
789 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
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797 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1002.11" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
798 </scanWindow>
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800 </scan>
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805 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" />
806 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
807 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810 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" unitAccession="MS:1000131" unitName="number of counts" unitCvRef="MS"/>
811 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" />
812 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
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816 </spectrum>
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818 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" />
819 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
820 <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
821 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
822 <scanList count="1">
823 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" />
824 <scan externalSpectrumID="1">
825 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="278.072" unitAccession="UO:0000010" unitName="second" unitCvRef="UO" />
826 <scanWindowList count="1">
827 <scanWindow>
828 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="98.8104" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
829 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1004.21" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
830 </scanWindow>
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837 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" />
838 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
839 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844 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
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848 </spectrum>
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851 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
852 <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
853 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
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855 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" />
856 <scan externalSpectrumID="1">
857 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="278.408" unitAccession="UO:0000010" unitName="second" unitCvRef="UO" />
858 <scanWindowList count="1">
859 <scanWindow>
860 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="100.027" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
861 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1004.56" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
862 </scanWindow>
863 </scanWindowList>
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869 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" />
870 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
871 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875 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" />
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902 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
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966 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
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1011 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
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1013 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
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1015 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" />
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1021 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1001.98" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
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1030 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
1031 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1158 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
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1168 </spectrum>
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1171 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
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1173 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
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1178 <scanWindowList count="1">
1179 <scanWindow>
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1181 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1002.76" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
1182 </scanWindow>
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1190 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
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1202 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" />
1203 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
1204 <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
1205 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
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1207 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" />
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1222 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
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1235 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
1236 <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
1237 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
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1239 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" />
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1242 <scanWindowList count="1">
1243 <scanWindow>
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1245 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1002.74" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
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1254 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
1255 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1267 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
1268 <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
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1277 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1004.69" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
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1286 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
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1299 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
1300 <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
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1318 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
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1328 </spectrum>
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1330 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" />
1331 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
1332 <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
1333 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
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1335 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" />
1336 <scan externalSpectrumID="1">
1337 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="283.453" unitAccession="UO:0000010" unitName="second" unitCvRef="UO" />
1338 <scanWindowList count="1">
1339 <scanWindow>
1340 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="105.951" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
1341 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1004.68" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
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1349 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" />
1350 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
1351 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1638 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
1639 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1651 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
1652 <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
1653 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
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1655 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" />
1656 <scan externalSpectrumID="1">
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1659 <scanWindow>
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1661 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1002.44" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
1662 </scanWindow>
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1714 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" />
1715 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
1716 <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
1717 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
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1719 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" />
1720 <scan externalSpectrumID="1">
1721 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="287.495" unitAccession="UO:0000010" unitName="second" unitCvRef="UO" />
1722 <scanWindowList count="1">
1723 <scanWindow>
1724 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="111.091" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
1725 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1004.95" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
1726 </scanWindow>
1727 </scanWindowList>
1728 </scan>
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1733 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" />
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1830 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
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1843 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
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1845 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
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1853 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="999.404" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
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1862 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
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1874 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" />
1875 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
1876 <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
1877 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
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1882 <scanWindowList count="1">
1883 <scanWindow>
1884 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="105.844" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
1885 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1003.05" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
1886 </scanWindow>
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1893 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" />
1894 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
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1967 </binaryDataArrayList>
1968 </spectrum>
1969 <spectrum id="spectrum=60" index="59" defaultArrayLength="1341">
1970 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" />
1971 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
1972 <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
1973 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
1974 <scanList count="1">
1975 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" />
1976 <scan externalSpectrumID="1">
1977 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="290.186" unitAccession="UO:0000010" unitName="second" unitCvRef="UO" />
1978 <scanWindowList count="1">
1979 <scanWindow>
1980 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="106.975" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
1981 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1002.63" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
1982 </scanWindow>
1983 </scanWindowList>
1984 </scan>
1985 </scanList>
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1988 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
1989 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" />
1990 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
1991 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1992 </binaryDataArray>
1993 <binaryDataArray encodedLength="14304">
1994 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" unitAccession="MS:1000131" unitName="number of counts" unitCvRef="MS"/>
1995 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" />
1996 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
1997 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1998 </binaryDataArray>
1999 </binaryDataArrayList>
2000 </spectrum>
2001 <spectrum id="spectrum=61" index="60" defaultArrayLength="1348">
2002 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" />
2003 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
2004 <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
2005 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
2006 <scanList count="1">
2007 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" />
2008 <scan externalSpectrumID="1">
2009 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="290.523" unitAccession="UO:0000010" unitName="second" unitCvRef="UO" />
2010 <scanWindowList count="1">
2011 <scanWindow>
2012 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="107.059" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
2013 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1003.12" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
2014 </scanWindow>
2015 </scanWindowList>
2016 </scan>
2017 </scanList>
2018 <binaryDataArrayList count="2">
2019 <binaryDataArray encodedLength="14380">
2020 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
2021 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" />
2022 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
2023 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2026 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" unitAccession="MS:1000131" unitName="number of counts" unitCvRef="MS"/>
2027 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" />
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2042 <scanWindowList count="1">
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2054 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
2055 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2067 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
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2069 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
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2071 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" />
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2077 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1001.34" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
2078 </scanWindow>
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2086 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
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2123 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" />
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2283 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" />
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2320 </spectrum>
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2322 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" />
2323 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
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2325 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
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2327 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" />
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2330 <scanWindowList count="1">
2331 <scanWindow>
2332 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="110.089" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
2333 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1001.81" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
2334 </scanWindow>
2335 </scanWindowList>
2336 </scan>
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2341 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" />
2342 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
2343 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2354 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" />
2355 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
2356 <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
2357 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
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2359 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" />
2360 <scan externalSpectrumID="1">
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2362 <scanWindowList count="1">
2363 <scanWindow>
2364 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="104.476" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
2365 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1004.06" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
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2374 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
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2418 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" />
2419 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
2420 <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
2421 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
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2423 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" />
2424 <scan externalSpectrumID="1">
2425 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="294.895" unitAccession="UO:0000010" unitName="second" unitCvRef="UO" />
2426 <scanWindowList count="1">
2427 <scanWindow>
2428 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="109.132" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
2429 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1003.24" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
2430 </scanWindow>
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2437 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" />
2438 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
2439 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2448 </spectrum>
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2450 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" />
2451 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
2452 <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
2453 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
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2455 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" />
2456 <scan externalSpectrumID="1">
2457 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="295.231" unitAccession="UO:0000010" unitName="second" unitCvRef="UO" />
2458 <scanWindowList count="1">
2459 <scanWindow>
2460 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="96.2734" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
2461 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1004.42" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
2462 </scanWindow>
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2470 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
2471 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2482 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" />
2483 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
2484 <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
2485 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
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2493 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1000.54" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
2494 </scanWindow>
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2502 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
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2512 </spectrum>
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2514 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" />
2515 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
2516 <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
2517 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
2518 <scanList count="1">
2519 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" />
2520 <scan externalSpectrumID="1">
2521 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="295.903" unitAccession="UO:0000010" unitName="second" unitCvRef="UO" />
2522 <scanWindowList count="1">
2523 <scanWindow>
2524 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="95.0381" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
2525 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1004.3" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
2526 </scanWindow>
2527 </scanWindowList>
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2533 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" />
2534 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
2535 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2544 </spectrum>
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2546 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" />
2547 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
2548 <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
2549 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
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2551 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" />
2552 <scan externalSpectrumID="1">
2553 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="296.24" unitAccession="UO:0000010" unitName="second" unitCvRef="UO" />
2554 <scanWindowList count="1">
2555 <scanWindow>
2556 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="97.8776" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
2557 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1000.96" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
2558 </scanWindow>
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2565 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" />
2566 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
2567 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2576 </spectrum>
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2578 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" />
2579 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
2580 <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
2581 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
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2598 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
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2611 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
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2613 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
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2630 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
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2640 </spectrum>
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2642 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" />
2643 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
2644 <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
2645 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
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2651 <scanWindow>
2652 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="98.4971" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
2653 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1003.75" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
2654 </scanWindow>
2655 </scanWindowList>
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2661 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" />
2662 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
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2667 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" />
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2699 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" />
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2731 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" />
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2770 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" />
2771 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
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2781 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1003.76" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
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2790 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
2791 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2822 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
2823 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2834 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" />
2835 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
2836 <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
2837 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
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2842 <scanWindowList count="1">
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2844 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="111.086" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
2845 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1004.9" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
2846 </scanWindow>
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2853 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" />
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2918 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
2919 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2950 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
2951 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2982 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
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3014 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
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3037 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="999.315" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
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3046 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
3047 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3058 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" />
3059 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
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3061 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
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3077 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" />
3078 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
3079 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3091 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
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3093 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
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3101 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1002.75" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
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3110 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
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3120 </spectrum>
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3122 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" />
3123 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
3124 <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
3125 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
3126 <scanList count="1">
3127 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" />
3128 <scan externalSpectrumID="1">
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3130 <scanWindowList count="1">
3131 <scanWindow>
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3133 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1003.83" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
3134 </scanWindow>
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3142 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
3143 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3155 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
3156 <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
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3162 <scanWindowList count="1">
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3174 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
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3186 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" />
3187 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
3188 <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
3189 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
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3191 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" />
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3194 <scanWindowList count="1">
3195 <scanWindow>
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3197 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1000.78" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
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3206 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
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3211 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" />
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3334 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
3335 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3347 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
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3349 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
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3354 <scanWindowList count="1">
3355 <scanWindow>
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3357 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="999.862" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
3358 </scanWindow>
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3366 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
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3371 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" />
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3403 <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" />
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3430 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
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3440 </spectrum>
3441 <spectrum id="spectrum=106" index="105" defaultArrayLength="1390">
3442 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" />
3443 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
3444 <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
3445 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
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3447 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" />
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3450 <scanWindowList count="1">
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3452 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="110.574" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
3453 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1003.73" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
3454 </scanWindow>
3455 </scanWindowList>
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3462 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
3463 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3536 </spectrum>
3537 <spectrum id="spectrum=109" index="108" defaultArrayLength="1356">
3538 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" />
3539 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
3540 <cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
3541 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
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3546 <scanWindowList count="1">
3547 <scanWindow>
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3549 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1004.45" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
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3558 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
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3622 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
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3654 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" />
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