Mercurial > repos > galaxyp > msconvert

comparison test-data/small-composite-test.mzML @ 18:331a50e8fd2f draft default tip

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msconvert commit dade2a055b8b1bd4b3c177638e833eb2a6c65196
author galaxyp
date Mon, 10 Mar 2025 07:48:32 +0000
parents
children
comparison
equal deleted inserted replaced
17:ab6c14374bc0 18:331a50e8fd2f
1 <?xml version="1.0" encoding="utf-8"?>
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">
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">
4 <cvList count="2">
5 <cv id="MS" fullName="Proteomics Standards Initiative Mass Spectrometry Ontology" version="4.1.41" URI="https://raw.githubusercontent.com/HUPO-PSI/psi-ms-CV/master/psi-ms.obo"/>
6 <cv id="UO" fullName="Unit Ontology" version="09:04:2014" URI="https://raw.githubusercontent.com/bio-ontology-research-group/unit-ontology/master/unit.obo"/>
7 </cvList>
8 <fileDescription>
9 <fileContent>
10 <cvParam cvRef="MS" accession="MS:1000579" name="MS1 spectrum" value=""/>
11 <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>
12 </fileContent>
13 <sourceFileList count="2">
14 <sourceFile id="RAW1" name="small.RAW" location="file:///">
15 <cvParam cvRef="MS" accession="MS:1000768" name="Thermo nativeID format" value=""/>
16 <cvParam cvRef="MS" accession="MS:1000563" name="Thermo RAW format" value=""/>
17 <cvParam cvRef="MS" accession="MS:1000569" name="SHA-1" value="b43e9286b40e8b5dbc0dfa2e428495769ca96a96"/>
18 </sourceFile>
19 <sourceFile id="small.mzML" name="small.mzML" location="file:///">
20 <cvParam cvRef="MS" accession="MS:1000569" name="SHA-1" value="4efa13a2795731b5f2a1ff1c463daf0d24b9a9d9"/>
21 </sourceFile>
22 </sourceFileList>
23 </fileDescription>
24 <referenceableParamGroupList count="1">
25 <referenceableParamGroup id="CommonInstrumentParams">
26 <cvParam cvRef="MS" accession="MS:1000448" name="LTQ FT" value=""/>
27 <cvParam cvRef="MS" accession="MS:1000529" name="instrument serial number" value="SN06061F"/>
28 </referenceableParamGroup>
29 </referenceableParamGroupList>
30 <softwareList count="3">
31 <software id="Xcalibur" version="1.1 Beta 7">
32 <cvParam cvRef="MS" accession="MS:1000532" name="Xcalibur" value=""/>
33 </software>
34 <software id="pwiz" version="3.0.8981">
35 <cvParam cvRef="MS" accession="MS:1000615" name="ProteoWizard software" value=""/>
36 </software>
37 <software id="pwiz_3.0.20287" version="3.0.20287">
38 <cvParam cvRef="MS" accession="MS:1000615" name="ProteoWizard software" value=""/>
39 </software>
40 </softwareList>
41 <instrumentConfigurationList count="2">
42 <instrumentConfiguration id="IC1">
43 <referenceableParamGroupRef ref="CommonInstrumentParams"/>
44 <componentList count="3">
45 <source order="1">
46 <cvParam cvRef="MS" accession="MS:1000073" name="electrospray ionization" value=""/>
47 <cvParam cvRef="MS" accession="MS:1000057" name="electrospray inlet" value=""/>
48 </source>
49 <analyzer order="2">
50 <cvParam cvRef="MS" accession="MS:1000079" name="fourier transform ion cyclotron resonance mass spectrometer" value=""/>
51 </analyzer>
52 <detector order="3">
53 <cvParam cvRef="MS" accession="MS:1000624" name="inductive detector" value=""/>
54 </detector>
55 </componentList>
56 <softwareRef ref="Xcalibur"/>
57 </instrumentConfiguration>
58 <instrumentConfiguration id="IC2">
59 <referenceableParamGroupRef ref="CommonInstrumentParams"/>
60 <componentList count="3">
61 <source order="1">
62 <cvParam cvRef="MS" accession="MS:1000073" name="electrospray ionization" value=""/>
63 <cvParam cvRef="MS" accession="MS:1000057" name="electrospray inlet" value=""/>
64 </source>
65 <analyzer order="2">
66 <cvParam cvRef="MS" accession="MS:1000083" name="radial ejection linear ion trap" value=""/>
67 </analyzer>
68 <detector order="3">
69 <cvParam cvRef="MS" accession="MS:1000253" name="electron multiplier" value=""/>
70 </detector>
71 </componentList>
72 <softwareRef ref="Xcalibur"/>
73 </instrumentConfiguration>
74 </instrumentConfigurationList>
75 <dataProcessingList count="2">
76 <dataProcessing id="pwiz_Reader_Thermo_conversion">
77 <processingMethod order="0" softwareRef="pwiz">
78 <cvParam cvRef="MS" accession="MS:1000544" name="Conversion to mzML" value=""/>
79 </processingMethod>
80 </dataProcessing>
81 <dataProcessing id="pwiz_Reader_conversion">
82 <processingMethod order="0" softwareRef="pwiz_3.0.20287">
83 <cvParam cvRef="MS" accession="MS:1000544" name="Conversion to mzML" value=""/>
84 </processingMethod>
85 <processingMethod order="1" softwareRef="pwiz_3.0.20287">
86 <cvParam cvRef="MS" accession="MS:1000035" name="peak picking" value=""/>
87 <userParam name="CantWaiT (continuous wavelet transform) peak picker"/>
88 </processingMethod>
89 <processingMethod order="2" softwareRef="pwiz_3.0.20287">
90 <userParam name="most intense count (excluding ties at the threshold)" value="100"/>
91 </processingMethod>
92 <processingMethod order="3" softwareRef="pwiz_3.0.20287">
93 <userParam name="absolute intensity greater than" value="1"/>
94 </processingMethod>
95 <processingMethod order="4" softwareRef="pwiz_3.0.20287">
96 <cvParam cvRef="MS" accession="MS:1000594" name="low intensity data point removal" value=""/>
97 <userParam name="num masses in window" value="10"/>
98 <userParam name="window width (Da)" value="40"/>
99 <userParam name="allow more data below multiply charged precursor" value="0"/>
100 </processingMethod>
101 <processingMethod order="5" softwareRef="pwiz_3.0.20287">
102 </processingMethod>
103 </dataProcessing>
104 </dataProcessingList>
105 <run id="small" defaultInstrumentConfigurationRef="IC1" startTimeStamp="2005-07-20T14:44:22Z" defaultSourceFileRef="RAW1">
106 <spectrumList count="13" defaultDataProcessingRef="pwiz_Reader_conversion">
107 <spectrum index="0" id="controllerType=0 controllerNumber=1 scan=5" defaultArrayLength="36" dataProcessingRef="pwiz_Reader_conversion">
108 <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>
109 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="2"/>
110 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
111 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
112 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="578.985595703125" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
113 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="8601.798828125" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
114 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="1.14331703125e05"/>
115 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="203.22233581543" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
116 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1412.570434570313" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
117 <scanList count="1">
118 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
119 <scan instrumentConfigurationRef="IC2">
120 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.034925" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
121 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="ITMS + c ESI d Full ms2 725.36@cid35.00 [185.00-1465.00]"/>
122 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="5"/>
123 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="57.43083190918" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
124 <userParam name="[Thermo Trailer Extra]Monoisotopic M/Z:" value="0" type="xsd:float"/>
125 <scanWindowList count="1">
126 <scanWindow>
127 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="185.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
128 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1465.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
129 </scanWindow>
130 </scanWindowList>
131 </scan>
132 </scanList>
133 <precursorList count="1">
134 <precursor spectrumRef="controllerType=0 controllerNumber=1 scan=2">
135 <isolationWindow>
136 <cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="725.36" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
137 <cvParam cvRef="MS" accession="MS:1000828" name="isolation window lower offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
138 <cvParam cvRef="MS" accession="MS:1000829" name="isolation window upper offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
139 </isolationWindow>
140 <selectedIonList count="1">
141 <selectedIon>
142 <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="725.36" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
143 <cvParam cvRef="MS" accession="MS:1000042" name="peak intensity" value="28425.76953125" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
144 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="2"/>
145 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="3"/>
146 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="4"/>
147 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="5"/>
148 </selectedIon>
149 </selectedIonList>
150 <activation>
151 <cvParam cvRef="MS" accession="MS:1000133" name="collision-induced dissociation" value=""/>
152 <cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="35.0" unitCvRef="UO" unitAccession="UO:0000266" unitName="electronvolt"/>
153 </activation>
154 </precursor>
155 </precursorList>
156 <binaryDataArrayList count="2">
157 <binaryDataArray encodedLength="192">
158 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
159 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
160 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
161 <binary>QVHidwAAAADgRrp/nf7/fxsIedGjWcbi/1ALpoidqpf5Qqgy01Kjrjmax6y+HRfEIjM6XRQ+AriVJExXuF8hIXfImbKxR+Icef0homtBF3eVSaJeKLlXAv/pXcNM4Wz48CIp/aIXPCdikStQzZBpM360hUiq1cCCxucVqdJOUfC2MyHinqi53z1BedLzccA=</binary>
162 </binaryDataArray>
163 <binaryDataArray encodedLength="96">
164 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
165 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
166 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value=""/>
167 <binary>btWxFt9QEm71MhbMUHFRwVlyUVJTeFsxW+hKkSWDFU0l/yUPRTk1qNXuJa41xKQl8V1xWaRScV9BW/JfZl7HS00Wvm+1SCA=</binary>
168 </binaryDataArray>
169 </binaryDataArrayList>
170 </spectrum>
171 <spectrum index="1" id="controllerType=0 controllerNumber=1 scan=6" defaultArrayLength="47" dataProcessingRef="pwiz_Reader_conversion">
172 <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>
173 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="2"/>
174 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
175 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
176 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="579.172790527344" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
177 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="16020.6806640625" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
178 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="1.304273046875e05"/>
179 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="164.091583251953" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
180 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1123.119262695313" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
181 <scanList count="1">
182 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
183 <scan instrumentConfigurationRef="IC2">
184 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.04862" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
185 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="ITMS + c ESI d Full ms2 558.87@cid35.00 [140.00-1130.00]"/>
186 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="6"/>
187 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="66.478637695313" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
188 <userParam name="[Thermo Trailer Extra]Monoisotopic M/Z:" value="0" type="xsd:float"/>
189 <scanWindowList count="1">
190 <scanWindow>
191 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="140.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
192 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1130.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
193 </scanWindow>
194 </scanWindowList>
195 </scan>
196 </scanList>
197 <precursorList count="1">
198 <precursor spectrumRef="controllerType=0 controllerNumber=1 scan=2">
199 <isolationWindow>
200 <cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="558.87" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
201 <cvParam cvRef="MS" accession="MS:1000828" name="isolation window lower offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
202 <cvParam cvRef="MS" accession="MS:1000829" name="isolation window upper offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
203 </isolationWindow>
204 <selectedIonList count="1">
205 <selectedIon>
206 <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="558.87" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
207 <cvParam cvRef="MS" accession="MS:1000042" name="peak intensity" value="19672.935546875" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
208 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="2"/>
209 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="3"/>
210 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="4"/>
211 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="5"/>
212 </selectedIon>
213 </selectedIonList>
214 <activation>
215 <cvParam cvRef="MS" accession="MS:1000133" name="collision-induced dissociation" value=""/>
216 <cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="35.0" unitCvRef="UO" unitAccession="UO:0000266" unitName="electronvolt"/>
217 </activation>
218 </precursor>
219 </precursorList>
220 <binaryDataArrayList count="2">
221 <binaryDataArray encodedLength="252">
222 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
223 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
224 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
225 <binary>QVMC98AAAADc7NN9gv//fxkHbFKdKPqOk3k5XSmc0fEv9VYZiB/t6c8p2uFrZHURPbaxOefNlMoxeLaoSrmx/edCKdOE0OELGDYRi/gjOWszTMqY75KnwghCU+C3GdEhhZOCo3ykGHMRSCq2abarMMlbQubq1dQQr9cNcUSPMRmvBjHhbnfRKcVpLtGzrDmZTWitctcFPCCXChlY313R+JikKWsXPeGenSNJjA0NugoUKSSZoIGTJPASVWhB</binary>
226 </binaryDataArray>
227 <binaryDataArray encodedLength="124">
228 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
229 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
230 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value=""/>
231 <binary>XTJi1YUVIRW/pY1Fr5UPJchEhHJWkV1RVBJVGl/hUndKMhXCNboVFyUsJVU1dTRZ41UCZfV0NS61cRR7A2e2XGC2HWbFhxUXZTg1tmRkMlQBWpJq5TB1jTW9tSQg</binary>
232 </binaryDataArray>
233 </binaryDataArrayList>
234 </spectrum>
235 <spectrum index="2" id="controllerType=0 controllerNumber=1 scan=7" defaultArrayLength="33" dataProcessingRef="pwiz_Reader_conversion">
236 <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>
237 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="2"/>
238 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
239 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
240 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="736.996337890625" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
241 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="1.213740390625e05" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
242 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="5.805610625e05"/>
243 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="229.308837890625" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
244 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1602.394287109375" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
245 <scanList count="1">
246 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
247 <scan instrumentConfigurationRef="IC2">
248 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.061923333333" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
249 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="ITMS + c ESI d Full ms2 812.33@cid35.00 [210.00-1635.00]"/>
250 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="7"/>
251 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="38.117568969727" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
252 <userParam name="[Thermo Trailer Extra]Monoisotopic M/Z:" value="0" type="xsd:float"/>
253 <scanWindowList count="1">
254 <scanWindow>
255 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="210.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
256 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1635.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
257 </scanWindow>
258 </scanWindowList>
259 </scan>
260 </scanList>
261 <precursorList count="1">
262 <precursor spectrumRef="controllerType=0 controllerNumber=1 scan=2">
263 <isolationWindow>
264 <cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="812.33" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
265 <cvParam cvRef="MS" accession="MS:1000828" name="isolation window lower offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
266 <cvParam cvRef="MS" accession="MS:1000829" name="isolation window upper offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
267 </isolationWindow>
268 <selectedIonList count="1">
269 <selectedIon>
270 <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="812.33" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
271 <cvParam cvRef="MS" accession="MS:1000042" name="peak intensity" value="82131.2578125" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
272 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="2"/>
273 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="3"/>
274 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="4"/>
275 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="5"/>
276 </selectedIon>
277 </selectedIonList>
278 <activation>
279 <cvParam cvRef="MS" accession="MS:1000133" name="collision-induced dissociation" value=""/>
280 <cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="35.0" unitCvRef="UO" unitAccession="UO:0000266" unitName="electronvolt"/>
281 </activation>
282 </precursor>
283 </precursorList>
284 <binaryDataArrayList count="2">
285 <binaryDataArray encodedLength="184">
286 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
287 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
288 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
289 <binary>QVKv7sAAAADd+QR7vv//f5QNkFsYXKikHjK7cRv21KKVUDr9mSU3Wh+0m4ObMVxOFMlcSZvmqUQcL49DG7R5RZmIGzifq6ruKXcn6WOG6+HF4cApOXKv0m7yuRA+LmET181kl82teRAMghKrefdC/VKfF4s5dZPLhayQ/IvNlj7MXqlwweFeiX0Q</binary>
290 </binaryDataArray>
291 <binaryDataArray encodedLength="96">
292 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
293 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
294 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value=""/>
295 <binary>WaRccVMoWnlUUldSUaJeN1f1XdFWdFqiVyRRc1FCSxs1tjVkZFbCPrIxUmJSkliSUMJJyzTwgT4a0V+yXtZKU3WHJDViTVyA</binary>
296 </binaryDataArray>
297 </binaryDataArrayList>
298 </spectrum>
299 <spectrum index="3" id="controllerType=0 controllerNumber=1 scan=10" defaultArrayLength="36" dataProcessingRef="pwiz_Reader_conversion">
300 <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>
301 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="2"/>
302 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
303 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
304 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="736.620361328125" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
305 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="2.41979125e05" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
306 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="8.484273125e05"/>
307 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="245.139419555664" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
308 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1580.488525390625" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
309 <scanList count="1">
310 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
311 <scan instrumentConfigurationRef="IC2">
312 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.081203333333" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
313 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="ITMS + c ESI d Full ms2 810.75@cid35.00 [210.00-1635.00]"/>
314 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="3"/>
315 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="9.6116065979" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
316 <userParam name="[Thermo Trailer Extra]Monoisotopic M/Z:" value="0" type="xsd:float"/>
317 <scanWindowList count="1">
318 <scanWindow>
319 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="210.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
320 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1635.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
321 </scanWindow>
322 </scanWindowList>
323 </scan>
324 </scanList>
325 <precursorList count="1">
326 <precursor spectrumRef="controllerType=0 controllerNumber=1 scan=9">
327 <isolationWindow>
328 <cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="810.75" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
329 <cvParam cvRef="MS" accession="MS:1000828" name="isolation window lower offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
330 <cvParam cvRef="MS" accession="MS:1000829" name="isolation window upper offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
331 </isolationWindow>
332 <selectedIonList count="1">
333 <selectedIon>
334 <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="810.75" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
335 <cvParam cvRef="MS" accession="MS:1000042" name="peak intensity" value="1.4306315625e05" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
336 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="2"/>
337 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="3"/>
338 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="4"/>
339 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="5"/>
340 </selectedIon>
341 </selectedIonList>
342 <activation>
343 <cvParam cvRef="MS" accession="MS:1000133" name="collision-induced dissociation" value=""/>
344 <cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="35.0" unitCvRef="UO" unitAccession="UO:0000266" unitName="electronvolt"/>
345 </activation>
346 </precursor>
347 </precursorList>
348 <binaryDataArrayList count="2">
349 <binaryDataArray encodedLength="200">
350 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
351 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
352 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
353 <binary>QVKvrsAAAABHiP96vv7/f51YfzsQYr20EQHBcaB2gEmygarR7c+aOYL946kwxR/hf7osSSf1FOHJVugRDxP/KRR7A9EtXkFJQ7UwmcdbB+GmzKESGgb9l+hyTht6mrER2zA0lKwO65puAN6e5knOFCOvQipaxyrtvBYVPYJRFYfTYZQGOY2TYfC+qny8at5kTRWYvyI=</binary>
354 </binaryDataArray>
355 <binaryDataArray encodedLength="108">
356 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
357 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
358 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value=""/>
359 <binary>XWxWI1uvR6IVDkWcJRJl6jWaJMYBW/tac18SXapS6lZ2UJNOzIRHAT+v8VwlUrNahk2AlO0BTLYjsxs17hXQJVhlguT3al0ERdgU4nRN3EA=</binary>
360 </binaryDataArray>
361 </binaryDataArrayList>
362 </spectrum>
363 <spectrum index="4" id="controllerType=0 controllerNumber=1 scan=11" defaultArrayLength="41" dataProcessingRef="pwiz_Reader_conversion">
364 <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>
365 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="2"/>
366 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
367 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
368 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="780.757568359375" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
369 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="49891.08203125" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
370 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="4.561434375e05"/>
371 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="235.080307006836" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
372 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1636.4267578125" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
373 <scanList count="1">
374 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
375 <scan instrumentConfigurationRef="IC2">
376 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.092903333333" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
377 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="ITMS + c ESI d Full ms2 837.96@cid35.00 [220.00-1690.00]"/>
378 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="4"/>
379 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="11.561430931091" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
380 <userParam name="[Thermo Trailer Extra]Monoisotopic M/Z:" value="0" type="xsd:float"/>
381 <scanWindowList count="1">
382 <scanWindow>
383 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="220.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
384 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1690.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
385 </scanWindow>
386 </scanWindowList>
387 </scan>
388 </scanList>
389 <precursorList count="1">
390 <precursor spectrumRef="controllerType=0 controllerNumber=1 scan=9">
391 <isolationWindow>
392 <cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="837.96" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
393 <cvParam cvRef="MS" accession="MS:1000828" name="isolation window lower offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
394 <cvParam cvRef="MS" accession="MS:1000829" name="isolation window upper offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
395 </isolationWindow>
396 <selectedIonList count="1">
397 <selectedIon>
398 <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="837.96" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
399 <cvParam cvRef="MS" accession="MS:1000042" name="peak intensity" value="64164.046875" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
400 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="2"/>
401 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="3"/>
402 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="4"/>
403 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="5"/>
404 </selectedIon>
405 </selectedIonList>
406 <activation>
407 <cvParam cvRef="MS" accession="MS:1000133" name="collision-induced dissociation" value=""/>
408 <cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="35.0" unitCvRef="UO" unitAccession="UO:0000266" unitName="electronvolt"/>
409 </activation>
410 </precursor>
411 </precursorList>
412 <binaryDataArrayList count="2">
413 <binaryDataArray encodedLength="220">
414 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
415 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
416 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
417 <binary>QVGXHsAAAAC4pcp9+P7/fxEdVsSQmtTMnDHubBAbgvGdTQkeG2PSAh33nLiQn2lHrbqHeSd9L+JYwpelB+RRMrnE+dK8OAEAb2YqGMn3J9mNijoI2iA1FPmLTjLqmRIFJedaidFFHuG6zt4SqDXEGqJhVJRmdmkTcwPxn7VXDhy2riEaaqABLXjoEiOLjiIVY4lUa2PptZhz6rrITi3XFKGQ91kQ</binary>
418 </binaryDataArray>
419 <binaryDataArray encodedLength="120">
420 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
421 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
422 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value=""/>
423 <binary>UsJX81kTUBNUNlk1WGdMmBUiZAGBVBdOIHVfJAHRUSNTSFfiSfcV6CUuJfBVbTVetWJFkqRsEUjCFRDF4dRbEkJ2Jc3UIXJD4sU2RNZBWtZW+F3JRRcUVzg=</binary>
424 </binaryDataArray>
425 </binaryDataArrayList>
426 </spectrum>
427 <spectrum index="5" id="controllerType=0 controllerNumber=1 scan=12" defaultArrayLength="35" dataProcessingRef="pwiz_Reader_conversion">
428 <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>
429 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="2"/>
430 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
431 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
432 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="634.725952148438" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
433 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="23714.06640625" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
434 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="1.241703828125e05"/>
435 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="180.931686401367" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
436 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1263.962524414063" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
437 <scanList count="1">
438 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
439 <scan instrumentConfigurationRef="IC2">
440 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.104803333333" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
441 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="ITMS + c ESI d Full ms2 644.06@cid35.00 [165.00-1300.00]"/>
442 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="5"/>
443 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="40.509494781494" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
444 <userParam name="[Thermo Trailer Extra]Monoisotopic M/Z:" value="0" type="xsd:float"/>
445 <scanWindowList count="1">
446 <scanWindow>
447 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="165.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
448 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1300.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
449 </scanWindow>
450 </scanWindowList>
451 </scan>
452 </scanList>
453 <precursorList count="1">
454 <precursor spectrumRef="controllerType=0 controllerNumber=1 scan=9">
455 <isolationWindow>
456 <cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="644.06" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
457 <cvParam cvRef="MS" accession="MS:1000828" name="isolation window lower offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
458 <cvParam cvRef="MS" accession="MS:1000829" name="isolation window upper offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
459 </isolationWindow>
460 <selectedIonList count="1">
461 <selectedIon>
462 <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="644.06" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
463 <cvParam cvRef="MS" accession="MS:1000042" name="peak intensity" value="22444.970703125" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
464 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="2"/>
465 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="3"/>
466 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="4"/>
467 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="5"/>
468 </selectedIon>
469 </selectedIonList>
470 <activation>
471 <cvParam cvRef="MS" accession="MS:1000133" name="collision-induced dissociation" value=""/>
472 <cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="35.0" unitCvRef="UO" unitAccession="UO:0000266" unitName="electronvolt"/>
473 </activation>
474 </precursor>
475 </precursorList>
476 <binaryDataArrayList count="2">
477 <binaryDataArray encodedLength="192">
478 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
479 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
480 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
481 <binary>QVHtNQAAAAAuzXt9mv7/f5/nq80ReFqol21LqZwl2I6Trx3+MO7LG+1A4ZgEPx694dUcAQ/xIxsGQZvkkSk/IV/ZPliu6hrIqCPOT4k+KazhxeDsGSJMguFM5E8R+d9MSZ4oB5ItOLqsDqzCcaQYEctyERWQ53KahjOdEKNfTpj1QzQYHlOxm4gHiRcvfnQ=</binary>
482 </binaryDataArray>
483 <binaryDataArray encodedLength="96">
484 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
485 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
486 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value=""/>
487 <binary>UjFttQ41CBUzFbIV5BV0NdsV9CWYJRN1gjW+Zak14EUitUZVXJRgAUGuNHVyWDFTU1tCYPSDAUKsVgde0mbF5CYZVRFQNA==</binary>
488 </binaryDataArray>
489 </binaryDataArrayList>
490 </spectrum>
491 <spectrum index="6" id="controllerType=0 controllerNumber=1 scan=13" defaultArrayLength="41" dataProcessingRef="pwiz_Reader_conversion">
492 <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>
493 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="2"/>
494 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
495 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
496 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="578.97607421875" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
497 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="7778.6669921875" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
498 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="1.04264796875e05"/>
499 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="203.024200439453" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
500 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1409.735473632813" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
501 <scanList count="1">
502 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
503 <scan instrumentConfigurationRef="IC2">
504 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.117215" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
505 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="ITMS + c ESI d Full ms2 725.23@cid35.00 [185.00-1465.00]"/>
506 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="6"/>
507 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="39.692756652832" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
508 <userParam name="[Thermo Trailer Extra]Monoisotopic M/Z:" value="0" type="xsd:float"/>
509 <scanWindowList count="1">
510 <scanWindow>
511 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="185.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
512 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1465.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
513 </scanWindow>
514 </scanWindowList>
515 </scan>
516 </scanList>
517 <precursorList count="1">
518 <precursor spectrumRef="controllerType=0 controllerNumber=1 scan=9">
519 <isolationWindow>
520 <cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="725.23" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
521 <cvParam cvRef="MS" accession="MS:1000828" name="isolation window lower offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
522 <cvParam cvRef="MS" accession="MS:1000829" name="isolation window upper offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
523 </isolationWindow>
524 <selectedIonList count="1">
525 <selectedIon>
526 <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="725.23" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
527 <cvParam cvRef="MS" accession="MS:1000042" name="peak intensity" value="26085.55859375" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
528 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="2"/>
529 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="3"/>
530 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="4"/>
531 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="5"/>
532 </selectedIon>
533 </selectedIonList>
534 <activation>
535 <cvParam cvRef="MS" accession="MS:1000133" name="collision-induced dissociation" value=""/>
536 <cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="35.0" unitCvRef="UO" unitAccession="UO:0000266" unitName="electronvolt"/>
537 </activation>
538 </precursor>
539 </precursorList>
540 <binaryDataArrayList count="2">
541 <binaryDataArray encodedLength="220">
542 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
543 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
544 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
545 <binary>QVHi8gAAAAAQyVx9Iv//f6bRwkmnJaXhsoPcEXIeTikK9SvKE+9yI1powqOMvKNZL7kJZpLhA0ycqZLqpHNZzIqqG2erwuUSQxDon8g/rhOESwImyHhBFKoiKe/+C9rTSvWY4kP+Ivu80hfnXJrhDu0RjhUSGGkxgpGQcd2WkeKOqO4iunoOOy0dHkrvhmYWy84CENQbq5xVj6MVjkixkaO1vQ==</binary>
546 </binaryDataArray>
547 <binaryDataArray encodedLength="108">
548 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
549 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
550 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value=""/>
551 <binary>b6V0FltaIVCib9ZtbfUhNVIm6VMnW2FSuENuFj9cAlUxWuFQdFe0VsFRJVdSU6xU9FTDVudPzBXlFQ01HBVYFWM1/2VmpF0ha5aZYeVXIA==</binary>
552 </binaryDataArray>
553 </binaryDataArrayList>
554 </spectrum>
555 <spectrum index="7" id="controllerType=0 controllerNumber=1 scan=14" defaultArrayLength="49" dataProcessingRef="pwiz_Reader_conversion">
556 <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>
557 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="2"/>
558 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
559 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
560 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="579.20068359375" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
561 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="17880.552734375" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
562 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="1.47409234375e05"/>
563 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="167.100158691406" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
564 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1129.459350585938" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
565 <scanList count="1">
566 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
567 <scan instrumentConfigurationRef="IC2">
568 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.130021666667" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
569 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="ITMS + c ESI d Full ms2 559.19@cid35.00 [140.00-1130.00]"/>
570 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="7"/>
571 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="69.128311157227" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
572 <userParam name="[Thermo Trailer Extra]Monoisotopic M/Z:" value="0" type="xsd:float"/>
573 <scanWindowList count="1">
574 <scanWindow>
575 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="140.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
576 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1130.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
577 </scanWindow>
578 </scanWindowList>
579 </scan>
580 </scanList>
581 <precursorList count="1">
582 <precursor spectrumRef="controllerType=0 controllerNumber=1 scan=9">
583 <isolationWindow>
584 <cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="559.19" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
585 <cvParam cvRef="MS" accession="MS:1000828" name="isolation window lower offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
586 <cvParam cvRef="MS" accession="MS:1000829" name="isolation window upper offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
587 </isolationWindow>
588 <selectedIonList count="1">
589 <selectedIon>
590 <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="559.19" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
591 <cvParam cvRef="MS" accession="MS:1000042" name="peak intensity" value="14270.2412109375" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
592 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="2"/>
593 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="3"/>
594 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="4"/>
595 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="5"/>
596 </selectedIon>
597 </selectedIonList>
598 <activation>
599 <cvParam cvRef="MS" accession="MS:1000133" name="collision-induced dissociation" value=""/>
600 <cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="35.0" unitCvRef="UO" unitAccession="UO:0000266" unitName="electronvolt"/>
601 </activation>
602 </precursor>
603 </precursorList>
604 <binaryDataArrayList count="2">
605 <binaryDataArray encodedLength="264">
606 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
607 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
608 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
609 <binary>QVMFZ4AAAAANa+R9W/7/fy2Gv6q5FXEbNe0xlUyZLRvooxEZ4Ilxk/VRvp30wM4VPfBxFTNVE5p9wdwigD255E/Q4RbmNREHkdM5wgTLyokKVa+K4NpJpS4dUUWEl3kKjJp+M66k7cLhtyrmEZidkBFa+1UqDE0AknyLfjXXNpL+Wt6lWhcRSb1wI3k/8SWRwml31MiSlSThmurpzRJ11FKchuHeF+T4FJU3WaoULXcSn8o+3RaQaUEdm0ARLXymKp+egQ==</binary>
610 </binaryDataArray>
611 <binaryDataArray encodedLength="132">
612 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
613 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
614 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value=""/>
615 <binary>UlJo1g5akVUBUctRRll6VRJVxUWBNUAV/sWNFTuE1FFc41txUsVegVISUMNqxRIUnVRYA2Wmi1AiUaxMNjbsXiFeMWq1BhUjZV81mmQxQl2RX2FSAlUEW8Redl2NWdJVEQ==</binary>
616 </binaryDataArray>
617 </binaryDataArrayList>
618 </spectrum>
619 <spectrum index="8" id="controllerType=0 controllerNumber=1 scan=17" defaultArrayLength="31" dataProcessingRef="pwiz_Reader_conversion">
620 <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>
621 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="2"/>
622 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
623 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
624 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="736.483520507813" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
625 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="1.701353125e05" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
626 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="1.102582125e06"/>
627 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="233.657485961914" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
628 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1474.546997070313" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
629 <scanList count="1">
630 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
631 <scan instrumentConfigurationRef="IC2">
632 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.149755" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
633 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="ITMS + c ESI d Full ms2 811.41@cid35.00 [210.00-1635.00]"/>
634 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="3"/>
635 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="9.879236221313" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
636 <userParam name="[Thermo Trailer Extra]Monoisotopic M/Z:" value="0" type="xsd:float"/>
637 <scanWindowList count="1">
638 <scanWindow>
639 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="210.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
640 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1635.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
641 </scanWindow>
642 </scanWindowList>
643 </scan>
644 </scanList>
645 <precursorList count="1">
646 <precursor spectrumRef="controllerType=0 controllerNumber=1 scan=16">
647 <isolationWindow>
648 <cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="811.41" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
649 <cvParam cvRef="MS" accession="MS:1000828" name="isolation window lower offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
650 <cvParam cvRef="MS" accession="MS:1000829" name="isolation window upper offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
651 </isolationWindow>
652 <selectedIonList count="1">
653 <selectedIon>
654 <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="811.41" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
655 <cvParam cvRef="MS" accession="MS:1000042" name="peak intensity" value="1.3454609375e05" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
656 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="2"/>
657 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="3"/>
658 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="4"/>
659 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="5"/>
660 </selectedIon>
661 </selectedIonList>
662 <activation>
663 <cvParam cvRef="MS" accession="MS:1000133" name="collision-induced dissociation" value=""/>
664 <cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="35.0" unitCvRef="UO" unitAccession="UO:0000266" unitName="electronvolt"/>
665 </activation>
666 </precursor>
667 </precursorList>
668 <binaryDataArrayList count="2">
669 <binaryDataArray encodedLength="176">
670 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
671 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
672 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
673 <binary>QVKxDsAAAADsQA173///f5fL+FsWMtykG1HMcRRPb4KS0XcOkmaNKqzXoAHL6JtJpU9E4TkjDBHYV7kplK9m0d2GZElgz4CalNF0J/ci+XabBOFKwzARxqLoWVnP4rnpMurRSgVyEYWj8hGXTPhZsVgayVdoyNq6BRMmkpD5PL9M0A==</binary>
674 </binaryDataArray>
675 <binaryDataArray encodedLength="96">
676 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
677 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
678 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value=""/>
679 <binary>V/5dA0WxFG9xXWVedlPHUvJIYxTxAVGEXGNd61vMXOZGGVTpETKpcV1LUeVYx0Q/RPi1SpkjeYkl53RTEUBDxPPES0wkVrk=</binary>
680 </binaryDataArray>
681 </binaryDataArrayList>
682 </spectrum>
683 <spectrum index="9" id="controllerType=0 controllerNumber=1 scan=18" defaultArrayLength="38" dataProcessingRef="pwiz_Reader_conversion">
684 <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>
685 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="2"/>
686 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
687 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
688 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="780.80712890625" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
689 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="43032.3359375" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
690 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="3.6025096875e05"/>
691 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="236.271896362305" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
692 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1615.151733398438" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
693 <scanList count="1">
694 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
695 <scan instrumentConfigurationRef="IC2">
696 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.161441666667" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
697 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="ITMS + c ESI d Full ms2 837.36@cid35.00 [220.00-1685.00]"/>
698 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="4"/>
699 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="11.877707481384" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
700 <userParam name="[Thermo Trailer Extra]Monoisotopic M/Z:" value="0" type="xsd:float"/>
701 <scanWindowList count="1">
702 <scanWindow>
703 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="220.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
704 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1685.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
705 </scanWindow>
706 </scanWindowList>
707 </scan>
708 </scanList>
709 <precursorList count="1">
710 <precursor spectrumRef="controllerType=0 controllerNumber=1 scan=16">
711 <isolationWindow>
712 <cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="837.36" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
713 <cvParam cvRef="MS" accession="MS:1000828" name="isolation window lower offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
714 <cvParam cvRef="MS" accession="MS:1000829" name="isolation window upper offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
715 </isolationWindow>
716 <selectedIonList count="1">
717 <selectedIon>
718 <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="837.36" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
719 <cvParam cvRef="MS" accession="MS:1000042" name="peak intensity" value="74066.390625" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
720 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="2"/>
721 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="3"/>
722 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="4"/>
723 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="5"/>
724 </selectedIon>
725 </selectedIonList>
726 <activation>
727 <cvParam cvRef="MS" accession="MS:1000133" name="collision-induced dissociation" value=""/>
728 <cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="35.0" unitCvRef="UO" unitAccession="UO:0000266" unitName="electronvolt"/>
729 </activation>
730 </precursor>
731 </precursorList>
732 <binaryDataArrayList count="2">
733 <binaryDataArray encodedLength="204">
734 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
735 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
736 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
737 <binary>QVBow4AAAABstIZ3nP7/f5QFLQkgBR+JLJ7B4QTQHhHm6pKJIF4vepBrZKW0zzLJ2SaozltBKIUBqcnMoanOYkvSasIRHLGJgpWyeE6UCzJOotpPQlxT+y5vAbKQTKISLefhlwTgDBM4BbEvgo0piZ3Q4ceMIhJJc70oxrUpYyGK4Zb8LEk4kWehpVQIGakT7OILAPYV0QJB</binary>
738 </binaryDataArray>
739 <binaryDataArray encodedLength="112">
740 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
741 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
742 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value=""/>
743 <binary>XNJdclA3XTRf1EgDFR9EO/FYhEUfRUY0rQFZ0le1X1JOUhWrJcJlZEWgVbeFsfRPEVT0XPZCAhRKkUJ+FeHUUhJIGKU6RVGVWaXgZWrE+0FGPTA=</binary>
744 </binaryDataArray>
745 </binaryDataArrayList>
746 </spectrum>
747 <spectrum index="10" id="controllerType=0 controllerNumber=1 scan=19" defaultArrayLength="35" dataProcessingRef="pwiz_Reader_conversion">
748 <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>
749 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="2"/>
750 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
751 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
752 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="634.762329101563" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
753 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="25645.544921875" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
754 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="1.25874828125e05"/>
755 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="191.255233764648" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
756 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1227.90576171875" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
757 <scanList count="1">
758 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
759 <scan instrumentConfigurationRef="IC2">
760 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.17337" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
761 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="ITMS + c ESI d Full ms2 643.80@cid35.00 [165.00-1300.00]"/>
762 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="5"/>
763 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="57.966053009033" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
764 <userParam name="[Thermo Trailer Extra]Monoisotopic M/Z:" value="0" type="xsd:float"/>
765 <scanWindowList count="1">
766 <scanWindow>
767 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="165.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
768 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1300.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
769 </scanWindow>
770 </scanWindowList>
771 </scan>
772 </scanList>
773 <precursorList count="1">
774 <precursor spectrumRef="controllerType=0 controllerNumber=1 scan=16">
775 <isolationWindow>
776 <cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="643.8" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
777 <cvParam cvRef="MS" accession="MS:1000828" name="isolation window lower offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
778 <cvParam cvRef="MS" accession="MS:1000829" name="isolation window upper offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
779 </isolationWindow>
780 <selectedIonList count="1">
781 <selectedIon>
782 <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="643.8" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
783 <cvParam cvRef="MS" accession="MS:1000042" name="peak intensity" value="20415.62109375" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
784 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="2"/>
785 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="3"/>
786 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="4"/>
787 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="5"/>
788 </selectedIon>
789 </selectedIonList>
790 <activation>
791 <cvParam cvRef="MS" accession="MS:1000133" name="collision-induced dissociation" value=""/>
792 <cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="35.0" unitCvRef="UO" unitAccession="UO:0000266" unitName="electronvolt"/>
793 </activation>
794 </precursor>
795 </precursorList>
796 <binaryDataArrayList count="2">
797 <binaryDataArray encodedLength="192">
798 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
799 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
800 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
801 <binary>QVJISkAAAABRcQR85v7/f5wY8Y6VVO3dE1/v0Ro7xLSVHuwNnP8BXB2sQAK74r6Y05T9EYggEh6pCVKcc0vNoy1nGspe1iOrjokTOWzhl0k9GUJmUuGB9d8R+3gVKc4Um7EZQq4ZxMRD4groCxwweTEpewAxZThBURN+qJlY4Y85BFgewVeL4Tr/CZuRgdsM</binary>
802 </binaryDataArray>
803 <binaryDataArray encodedLength="92">
804 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
805 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
806 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value=""/>
807 <binary>b3XHFixUBGJ1/BX5FVg1+kUrJZeVAjVDdXQ1B0XEpcFlfZWr1Bk0TXgl0BUFFbMVRTURJHghTiRloDZrXJJmlaMVcEbH</binary>
808 </binaryDataArray>
809 </binaryDataArrayList>
810 </spectrum>
811 <spectrum index="11" id="controllerType=0 controllerNumber=1 scan=20" defaultArrayLength="46" dataProcessingRef="pwiz_Reader_conversion">
812 <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>
813 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="2"/>
814 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
815 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
816 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="579.14892578125" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
817 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="17014.310546875" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
818 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="1.42243390625e05"/>
819 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="162.245941162109" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
820 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1128.895385742188" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
821 <scanList count="1">
822 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
823 <scan instrumentConfigurationRef="IC2">
824 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.186658333333" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
825 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="ITMS + c ESI d Full ms2 558.94@cid35.00 [140.00-1130.00]"/>
826 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="6"/>
827 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="80.531181335449" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
828 <userParam name="[Thermo Trailer Extra]Monoisotopic M/Z:" value="0" type="xsd:float"/>
829 <scanWindowList count="1">
830 <scanWindow>
831 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="140.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
832 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1130.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
833 </scanWindow>
834 </scanWindowList>
835 </scan>
836 </scanList>
837 <precursorList count="1">
838 <precursor spectrumRef="controllerType=0 controllerNumber=1 scan=16">
839 <isolationWindow>
840 <cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="558.94" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
841 <cvParam cvRef="MS" accession="MS:1000828" name="isolation window lower offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
842 <cvParam cvRef="MS" accession="MS:1000829" name="isolation window upper offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
843 </isolationWindow>
844 <selectedIonList count="1">
845 <selectedIon>
846 <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="558.94" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
847 <cvParam cvRef="MS" accession="MS:1000042" name="peak intensity" value="17284.958984375" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
848 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="2"/>
849 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="3"/>
850 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="4"/>
851 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="5"/>
852 </selectedIon>
853 </selectedIonList>
854 <activation>
855 <cvParam cvRef="MS" accession="MS:1000133" name="collision-induced dissociation" value=""/>
856 <cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="35.0" unitCvRef="UO" unitAccession="UO:0000266" unitName="electronvolt"/>
857 </activation>
858 </precursor>
859 </precursorList>
860 <binaryDataArrayList count="2">
861 <binaryDataArray encodedLength="244">
862 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
863 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
864 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
865 <binary>QVLankAAAAArnsV8/P7/fy7qTDMiQGkTMOzaTmT7KO39mxv/iSsMC+FtufURXitfKb0Sp8phCSYReKvhlLmn/ROejlEZrxkTlSmR3ZL+840g/8eRWLMeSa1yWqG+M/MqxcbyGmiqIR/QpSKWlqH+klx8nqschwovRFUXR2cRL+Atg2oyMVz7Y2l3PLaZOiqf0WaIQSlV1iDhQpR0KS6uXeF3loJJUaF+ynIcMStZWuLktsKmCdYQ</binary>
866 </binaryDataArray>
867 <binaryDataArray encodedLength="124">
868 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
869 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
870 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value=""/>
871 <binary>UvFipaAkVhFcVFYxVMVaglVWRI4l7BbPW5dTMlnHTtYVSjUVJdE1ixZaUaNGckXANthcMVrBVB1cQUZINo9acVMBWCFRI1rlUvNV5kR1JTEVCiUzdddlRsW3JZAQ</binary>
872 </binaryDataArray>
873 </binaryDataArrayList>
874 </spectrum>
875 <spectrum index="12" id="controllerType=0 controllerNumber=1 scan=21" defaultArrayLength="41" dataProcessingRef="pwiz_Reader_conversion">
876 <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>
877 <cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="2"/>
878 <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
879 <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
880 <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="668.7431640625" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
881 <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="18647.232421875" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
882 <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="1.47414578125e05"/>
883 <cvParam cvRef="MS" accession="MS:1000528" name="lowest observed m/z" value="203.112747192383" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
884 <cvParam cvRef="MS" accession="MS:1000527" name="highest observed m/z" value="1426.0986328125" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
885 <scanList count="1">
886 <cvParam cvRef="MS" accession="MS:1000795" name="no combination" value=""/>
887 <scan instrumentConfigurationRef="IC2">
888 <cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="0.200695" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
889 <cvParam cvRef="MS" accession="MS:1000512" name="filter string" value="ITMS + c ESI d Full ms2 725.14@cid35.00 [185.00-1465.00]"/>
890 <cvParam cvRef="MS" accession="MS:1000616" name="preset scan configuration" value="7"/>
891 <cvParam cvRef="MS" accession="MS:1000927" name="ion injection time" value="43.3606300354" unitCvRef="UO" unitAccession="UO:0000028" unitName="millisecond"/>
892 <userParam name="[Thermo Trailer Extra]Monoisotopic M/Z:" value="0" type="xsd:float"/>
893 <scanWindowList count="1">
894 <scanWindow>
895 <cvParam cvRef="MS" accession="MS:1000501" name="scan window lower limit" value="185.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
896 <cvParam cvRef="MS" accession="MS:1000500" name="scan window upper limit" value="1465.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
897 </scanWindow>
898 </scanWindowList>
899 </scan>
900 </scanList>
901 <precursorList count="1">
902 <precursor spectrumRef="controllerType=0 controllerNumber=1 scan=16">
903 <isolationWindow>
904 <cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="725.14" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
905 <cvParam cvRef="MS" accession="MS:1000828" name="isolation window lower offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
906 <cvParam cvRef="MS" accession="MS:1000829" name="isolation window upper offset" value="1.0" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
907 </isolationWindow>
908 <selectedIonList count="1">
909 <selectedIon>
910 <cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="725.14" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
911 <cvParam cvRef="MS" accession="MS:1000042" name="peak intensity" value="24541.078125" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
912 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="2"/>
913 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="3"/>
914 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="4"/>
915 <cvParam cvRef="MS" accession="MS:1000633" name="possible charge state" value="5"/>
916 </selectedIon>
917 </selectedIonList>
918 <activation>
919 <cvParam cvRef="MS" accession="MS:1000133" name="collision-induced dissociation" value=""/>
920 <cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="35.0" unitCvRef="UO" unitAccession="UO:0000266" unitName="electronvolt"/>
921 </activation>
922 </precursor>
923 </precursorList>
924 <binaryDataArrayList count="2">
925 <binaryDataArray encodedLength="220">
926 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
927 <cvParam cvRef="MS" accession="MS:1002312" name="MS-Numpress linear prediction compression" value=""/>
928 <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
929 <binary>QVHrskAAAABeun99tP//f5hv0s0bheiBJ1s4kSfgCynU0rbK9G01IUJsqegtG+EaurEiJ3ERGyA1BZGRzUyQwv3OqDMh6ilAd6kSrQqcPXQb8/JBIJD70vs9dBDyXgKVAhC9p009SvUqkyB7uqJAasyTUKftFxtOIhgBwYKWDMeNnvF9vS/1y9LhPYSk6j+aPfa0H42UEhMUWKuS5BMnkZzn+w==</binary>
930 </binaryDataArray>
931 <binaryDataArray encodedLength="112">
932 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
933 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
934 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value=""/>
935 <binary>afZ/X6FUIVlEVHFh9dIV/hV0NQo1QLafVkJPkhTO41xBX9FV8VdzVeNYZ1NSW7NbIkdDFbCFukUyxH2EURJUwlETViJZIl2pXo1FqRVGFs5dAw==</binary>
936 </binaryDataArray>
937 </binaryDataArrayList>
938 </spectrum>
939 </spectrumList>
940 <chromatogramList count="1" defaultDataProcessingRef="pwiz_Reader_conversion">
941 <chromatogram index="0" id="TIC" defaultArrayLength="48">
942 <cvParam cvRef="MS" accession="MS:1000235" name="total ion current chromatogram" value=""/>
943 <binaryDataArrayList count="2">
944 <binaryDataArray encodedLength="256">
945 <cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value=""/>
946 <cvParam cvRef="MS" accession="MS:1000576" name="no compression" value=""/>
947 <cvParam cvRef="MS" accession="MS:1000595" name="time array" value="" unitCvRef="UO" unitAccession="UO:0000031" unitName="minute"/>
948 <binary>yLWhOwVhATwazTc8dRe7PIQNDz3EJUc9UqN9PXehmT19T589702mPRpEvj0ho9Y9aw7wPWYkBT7+5BI+EewVPmBZGT73UCU+6IcxPl0jPz79gk0+L81aPtfyXT7nWmE+dINuPm+eej4msoQ+h5qLPt8qkj576pM+AX+bPuCcoT6mNKg+jpKvPvWUtz4iDbk+K8G6PuDOwD4xAMc+683NPiOM1D4rYts+O8/dPquF3z4ziuU+Lc/rPpo68j4Wd/k+</binary>
949 </binaryDataArray>
950 <binaryDataArray encodedLength="204">
951 <cvParam cvRef="MS" accession="MS:1000519" name="32-bit integer" value=""/>
952 <cvParam cvRef="MS" accession="MS:1002313" name="MS-Numpress positive integer compression" value=""/>
953 <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
954 <binary>LA+Y4uK9TDci+DLstjyesTt98THb2C4FJ+Jo3tk7Ivw/xfY6BeE5R5Ex3zIQxZYRLJxoom8tATs/dTO74TOrIjffMhIRzAEj71gTtcHzCk1j33ETDE0TnSUhAIwVEibL2zKIxTmW0TNssTePES8Du/I+zjY2pO83EJkz+aE3gmI75TErlVeytva8MZ0eNxZmNktROAmBM3Ax</binary>
955 </binaryDataArray>
956 </binaryDataArrayList>
957 </chromatogram>
958 </chromatogramList>
959 </run>
960 </mzML>
961 <indexList count="2">
962 <index name="spectrum">
963 <offset idRef="controllerType=0 controllerNumber=1 scan=5">6213</offset>
964 <offset idRef="controllerType=0 controllerNumber=1 scan=6">12033</offset>
965 <offset idRef="controllerType=0 controllerNumber=1 scan=7">17947</offset>
966 <offset idRef="controllerType=0 controllerNumber=1 scan=10">23767</offset>
967 <offset idRef="controllerType=0 controllerNumber=1 scan=11">29612</offset>
968 <offset idRef="controllerType=0 controllerNumber=1 scan=12">35488</offset>
969 <offset idRef="controllerType=0 controllerNumber=1 scan=13">41319</offset>
970 <offset idRef="controllerType=0 controllerNumber=1 scan=14">47183</offset>
971 <offset idRef="controllerType=0 controllerNumber=1 scan=17">53123</offset>
972 <offset idRef="controllerType=0 controllerNumber=1 scan=18">58929</offset>
973 <offset idRef="controllerType=0 controllerNumber=1 scan=19">64783</offset>
974 <offset idRef="controllerType=0 controllerNumber=1 scan=20">70601</offset>
975 <offset idRef="controllerType=0 controllerNumber=1 scan=21">76514</offset>
976 </index>
977 <index name="chromatogram">
978 <offset idRef="TIC">82484</offset>
979 </index>
980 </indexList>
981 <indexListOffset>84178</indexListOffset>
982 <fileChecksum>ddc3857edae62e757f9f9649b99db98d980d2998</fileChecksum>
983 </indexedmzML>