flow_filelinking.yaml 0000644 0000000 0000000 00000000316 14616267257 014002 0 ustar root root - parameter: input_spectra
target: input_spectra/specs_ms.mgf
- parameter: input_pairs
target: input_pairs/merged_pairs.tsv
- parameter: input_graphml
target: input_graphml/network_singletons.graphml
input_graphml/ 0000755 0000000 0000000 00000000000 14616267257 012445 5 ustar root root ././@LongLink 0000644 0000000 0000000 00000000157 00000000000 011605 K ustar root root /data/nf_data/server/nf_tasks/3232258d36124077b4dc3e017a8103d6/nf_output/networking/network_singletons.graphml input_graphml/network_singletons.graphml 0000777 0000000 0000000 00000000000 14616267257 041166 2/data/nf_data/server/nf_tasks/3232258d36124077b4dc3e017a8103d6/nf_output/networking/network_singletoustar root root input_pairs/ 0000755 0000000 0000000 00000000000 14616267257 012131 5 ustar root root input_pairs/merged_pairs.tsv 0000777 0000000 0000000 00000000000 14616267257 036416 2/data/nf_data/server/nf_tasks/3232258d36124077b4dc3e017a8103d6/nf_output/networking/merged_pairs.tsvustar root root input_spectra/ 0000755 0000000 0000000 00000000000 14616267257 012454 5 ustar root root input_spectra/specs_ms.mgf 0000777 0000000 0000000 00000000000 14616267257 035151 2/data/nf_data/server/nf_tasks/3232258d36124077b4dc3e017a8103d6/nf_output/clustering/specs_ms.mgf ustar root root job_dag.html 0000644 0000000 0000000 00000013236 14616267345 012052 0 ustar root root
Nextflow Cytoscape.js with Dagre
Nextflow Cytoscape.js with Dagre
job_parameters.yaml 0000644 0000000 0000000 00000002124 14616267257 013454 0 ustar root root OMETAFLOW_SERVER: http://ometaflow-launchserver:4000
OMETALIBRARY_SERVER: http://ometalibrary-web:5000/library
OMETAMASST_SERVER: http://ometamasst-web:5000/masst
OMETATASK: 86dad9a8ac764417a850e3fb8dbe3d18
OMETAUSER: Xianghu
create_time: 2024-05-06 16:57:08 PDT-0700
description: 'induced transitive alignment test dataset '
induced_mst_filter: Greedy_MST
induced_network_option: intersection
induced_networking_min_cosine: '0.5'
input_graphml: /data/nf_data/server/nf_tasks/86dad9a8ac764417a850e3fb8dbe3d18/input_graphml/network_singletons.graphml
input_pairs: /data/nf_data/server/nf_tasks/86dad9a8ac764417a850e3fb8dbe3d18/input_pairs/merged_pairs.tsv
input_spectra: /data/nf_data/server/nf_tasks/86dad9a8ac764417a850e3fb8dbe3d18/input_spectra/specs_ms.mgf
max_hops: '5'
mst_filter: 'No'
networking_min_cosine: '0.4'
publishdir: /data/nf_data/server/nf_tasks/86dad9a8ac764417a850e3fb8dbe3d18
source_node: '261'
task: 86dad9a8ac764417a850e3fb8dbe3d18
topology_cliquemincosine: '0.7'
workflow_option: Induced_network
workflow_version: SERVER:0.1.2;WORKFLOW:0.4.1
workflowname: Transitive_alignment_workflow
job_report.html 0000644 0000000 0000000 00013130327 14616267345 012637 0 ustar root root
[scruffy_blackwell] Nextflow Workflow Report
Nextflow Report
Nextflow workflow report
[scruffy_blackwell]
Workflow execution completed successfully!
Run times
06-May-2024 23:57:24 - 06-May-2024 23:58:00
( duration: 36.5s )
3 succeeded
0 cached
0 ignored
0 failed
Nextflow command
nextflow run /app/workflows_user/Transitive_alignment_workflow/nf_workflow.nf -params-file /data/nf_data/server/nf_tasks/86dad9a8ac764417a850e3fb8dbe3d18/job_parameters.yaml -w /data/nf_data/server/nf_work/86dad9a8ac764417a850e3fb8dbe3d18 -with-report /data/nf_data/server/nf_tasks/86dad9a8ac764417a850e3fb8dbe3d18/job_report.html -with-timeline /data/nf_data/server/nf_tasks/86dad9a8ac764417a850e3fb8dbe3d18/job_timeline.html -with-dag /data/nf_data/server/nf_tasks/86dad9a8ac764417a850e3fb8dbe3d18/job_dag.html -with-weblog 'http://localhost:4000/nf_weblog/86dad9a8ac764417a850e3fb8dbe3d18' -c /app/launchserver/nextflow.config
CPU-Hours
(a few seconds)
Launch directory
/data/nf_data/server/nf_tasks/86dad9a8ac764417a850e3fb8dbe3d18
Work directory
/data/nf_data/server/nf_work/86dad9a8ac764417a850e3fb8dbe3d18
Project directory
/app/workflows_user/Transitive_alignment_workflow
Script name
nf_workflow.nf
Script ID
a7b39fb83b1942fd9777f4157d3ff169
Workflow session
b2b9dd2a-b766-4ece-ad08-1ef31537eead
Workflow profile
standard
Nextflow version
version 21.10.0, build 5640 (11-11-2021 18:27 UTC)
Resource Usage
These plots give an overview of the distribution of resource usage for each process.
CPU
Memory
Tasks
This table shows information about each task in the workflow. Use the search box on the right
to filter rows for specific values. Clicking headers will sort the table by that value and
scrolling side to side will reveal more columns.
(tasks table omitted because the dataset is too big)
job_timeline.html 0000644 0000000 0000000 00000755066 14616267345 013143 0 ustar root root
Processes execution timeline
Launch time:
Elapsed time:
Legend: job wall time / memory usage (RAM)
nextflow_stdout.log 0000644 0000000 0000000 00000003342 14616267346 013550 0 ustar root root N E X T F L O W ~ version 21.10.0
Launching `/app/workflows_user/Transitive_alignment_workflow/nf_workflow.nf` [scruffy_blackwell] - revision: a7b39fb83b
[- ] process > Partition -
[- ] process > Partition -
[- ] process > Preprocessing -
[- ] process > InducedNetwork -
[- ] process > Partition [ 0%] 0 of 1
[- ] process > Preprocessing [ 0%] 0 of 1
[- ] process > InducedNetwork -
executor > local (1)
[e7/15d059] process > Partition (1) [ 0%] 0 of 1
[35/2f69e5] process > Preprocessing (1) [ 0%] 0 of 1
[- ] process > InducedNetwork -
executor > local (2)
[e7/15d059] process > Partition (1) [ 0%] 0 of 1
[35/2f69e5] process > Preprocessing (1) [ 0%] 0 of 1
[- ] process > InducedNetwork -
executor > local (2)
[e7/15d059] process > Partition (1) [ 0%] 0 of 1
[35/2f69e5] process > Preprocessing (1) [100%] 1 of 1 ✔
[- ] process > InducedNetwork -
executor > local (3)
[e7/15d059] process > Partition (1) [ 0%] 0 of 1
[35/2f69e5] process > Preprocessing (1) [100%] 1 of 1 ✔
[65/a5c97a] process > InducedNetwork (1) [ 0%] 0 of 1
executor > local (3)
[e7/15d059] process > Partition (1) [100%] 1 of 1 ✔
[35/2f69e5] process > Preprocessing (1) [100%] 1 of 1 ✔
[65/a5c97a] process > InducedNetwork (1) [ 0%] 0 of 1
executor > local (3)
[e7/15d059] process > Partition (1) [100%] 1 of 1 ✔
[35/2f69e5] process > Preprocessing (1) [100%] 1 of 1 ✔
[65/a5c97a] process > InducedNetwork (1) [100%] 1 of 1 ✔
executor > local (3)
[e7/15d059] process > Partition (1) [100%] 1 of 1 ✔
[35/2f69e5] process > Preprocessing (1) [100%] 1 of 1 ✔
[65/a5c97a] process > InducedNetwork (1) [100%] 1 of 1 ✔
nf_cmd.sh 0000644 0000000 0000000 00000001163 14616267257 011357 0 ustar root root nextflow run /app/workflows_user/Transitive_alignment_workflow/nf_workflow.nf -params-file /data/nf_data/server/nf_tasks/86dad9a8ac764417a850e3fb8dbe3d18/job_parameters.yaml -w /data/nf_data/server/nf_work/86dad9a8ac764417a850e3fb8dbe3d18 -with-report /data/nf_data/server/nf_tasks/86dad9a8ac764417a850e3fb8dbe3d18/job_report.html -with-timeline /data/nf_data/server/nf_tasks/86dad9a8ac764417a850e3fb8dbe3d18/job_timeline.html -with-dag /data/nf_data/server/nf_tasks/86dad9a8ac764417a850e3fb8dbe3d18/job_dag.html -with-weblog http://localhost:4000/nf_weblog/86dad9a8ac764417a850e3fb8dbe3d18 -c /app/launchserver/nextflow.config nf_output/ 0000755 0000000 0000000 00000000000 14616267342 011612 5 ustar root root nf_output/trans_pairs.tsv 0000644 0000000 0000000 00000027416 14616267342 014707 0 ustar root root Source_Node Target_Node Distance Original_Cosine Transitive_Alignment_Score Delta_Score Re-aligned_paths
261 102 2 0.3060954251409913 0.5415629584069572 0.23546753326596592 [261, 42, 102]
261 3 2 0.0 0.6267450484434236 0.6267450484434236 [261, 42, 3]
261 156 2 0.1492519767884286 0.6838590841060266 0.534607107317598 [261, 204, 156]
261 40 2 0.11474463785192567 0.5024012746612879 0.38765663680936224 [261, 42, 40]
261 87 2 0.043558322549805295 0.5902021407466854 0.5466438181968801 [261, 116, 87]
261 4 3 0.16429893797291514 0.5231210193115282 0.35882208133861304 [261, 158, 75, 4]
261 30 4 0.2207467757291021 0.5277442170862703 0.3069974413571682 [261, 204, 257, 188, 30]
261 34 4 0.20378866090333614 0.580514236625864 0.37672557572252785 [261, 158, 75, 4, 34]
261 596 3 0.12570371309742762 0.5505693111665222 0.4248655980690946 [261, 204, 5, 596]
261 163 3 0.10480689739225668 0.7291423042199479 0.6243354068276912 [261, 991, 944, 163]
261 256 3 0.34225543411903137 0.5092163972190903 0.16696096310005892 [261, 71, 142, 256]
261 91 3 0.16966114141609673 0.5767125728766682 0.4070514314605715 [261, 210, 206, 91]
261 115 2 0.1220685881339307 0.5873394385876322 0.4652708504537014 [261, 155, 115]
261 198 2 0.24089175022903778 0.6340099447838946 0.39311819455485686 [261, 318, 198]
261 202 2 0.25862008636284217 0.638513626515906 0.37989354015306387 [261, 210, 202]
261 110 2 0.1711340369205096 0.5381024465563494 0.3669684096358398 [261, 116, 110]
261 152 2 0.15232086320362387 0.619650706039507 0.46732984283588314 [261, 155, 152]
261 392 4 0.11253243539527272 0.5024285052702719 0.38989606987499925 [261, 116, 230, 407, 392]
261 188 3 0.08443082666412066 0.5661582443671276 0.4817274177030069 [261, 204, 257, 188]
261 247 2 0.15391375417950123 0.6672039374650852 0.513290183285584 [261, 318, 247]
261 260 2 0.13730286291934568 0.6541111444414786 0.5168082815221329 [261, 210, 260]
261 388 3 0.22820450660668065 0.7304221946904164 0.5022176880837357 [261, 116, 87, 388]
261 222 2 0.2306824722893247 0.5033212752469963 0.2726388029576716 [261, 354, 222]
261 206 2 0.16767530898802685 0.6528461990575726 0.4851708900695457 [261, 210, 206]
261 229 3 0.37288622919313075 0.5305092826802318 0.15762305348710104 [261, 116, 409, 229]
261 639 3 0.078583591467862 0.5044064805771904 0.4258228891093284 [261, 42, 40, 639]
261 286 2 0.04204652026450438 0.5288022772879418 0.48675575702343743 [261, 42, 286]
261 346 2 0.4428596389680644 0.5696271324910462 0.12676749352298183 [261, 354, 346]
261 167 2 0.31260127467951654 0.5903641341671967 0.27776285948768015 [261, 71, 167]
261 266 3 0.15416381130639673 0.5172382143303866 0.3630744030239899 [261, 413, 243, 266]
261 364 3 0.14407030943875365 0.7010613545168937 0.55699104507814 [261, 158, 241, 364]
261 373 2 0.15737919945706003 0.6340709734869571 0.47669177402989704 [261, 383, 373]
261 624 3 0.11763147891461931 0.5820771768582528 0.46444569794363344 [261, 116, 525, 624]
261 160 2 0.2227470386285954 0.8007056006168295 0.5779585619882341 [261, 210, 160]
261 595 3 0.1572212419496471 0.741819835532614 0.584598593582967 [261, 991, 944, 595]
261 956 2 0.24085046340831467 0.7344316807136864 0.4935812173053717 [261, 1001, 956]
261 680 3 0.1136923069574208 0.5052342601102847 0.3915419531528639 [261, 1001, 956, 680]
261 554 4 0.12233960547952957 0.5553684379528915 0.4330288324733619 [261, 204, 5, 596, 554]
261 179 3 0.11975713010752144 0.5124488250094006 0.39269169490187916 [261, 210, 160, 179]
261 72 3 0.06213125270242686 0.6126178602569826 0.5504866075545558 [261, 991, 944, 72]
261 107 3 0.1481990297492398 0.5198690989727879 0.37167006922354806 [261, 204, 156, 107]
261 882 3 0.16615004676926545 0.5440499351187799 0.3778998883495144 [261, 116, 525, 882]
261 377 2 0.0 0.5167474575228729 0.5167474575228729 [261, 158, 377]
261 240 3 0.041371337251189105 0.5743600157390558 0.5329886784878667 [261, 991, 944, 240]
261 274 3 0.189902782478204 0.6214944127763388 0.43159163029813474 [261, 116, 87, 274]
261 313 3 0.0900125038044767 0.5652018682441865 0.4751893644397098 [261, 991, 944, 313]
261 334 2 0.21838235798064096 0.5297041782506577 0.31132182027001676 [261, 413, 334]
261 441 2 0.21999367314715745 0.5257229527036164 0.3057292795564589 [261, 116, 441]
261 567 3 0.1266081477703026 0.551605647264649 0.4249974994943464 [261, 991, 944, 567]
261 898 3 0.1069881241549294 0.6512308837635298 0.5442427596086004 [261, 991, 944, 898]
261 944 2 0.15639266716864167 0.7334453494286499 0.5770526822600083 [261, 991, 944]
261 165 3 0.19848142330032412 0.5093013509468327 0.31081992764650856 [261, 354, 346, 165]
261 832 3 0.05099680916258515 0.5301167926910664 0.47911998352848123 [261, 116, 564, 832]
261 510 3 0.22344100487887486 0.5394368482513251 0.31599584337245024 [261, 1248, 713, 510]
261 209 2 0.41096391910644936 0.5873671304552803 0.17640321134883097 [261, 155, 209]
261 183 2 0.03424524309031949 0.5886685895435514 0.5544233464532319 [261, 116, 183]
261 249 2 0.07817248086938755 0.5526459430763085 0.474473462206921 [261, 210, 249]
261 93 3 0.13674231512254065 0.6325358653077421 0.49579355018520144 [261, 210, 249, 93]
261 365 3 0.07510714960118814 0.6219585779931669 0.5468514283919788 [261, 158, 241, 365]
261 428 3 0.12202567864127563 0.7019513519964315 0.5799256733551559 [261, 158, 293, 428]
261 630 3 0.24340009219981562 0.7012964241315854 0.4578963319317698 [261, 210, 202, 630]
261 814 3 0.14754176278207087 0.6859251972278028 0.5383834344457319 [261, 210, 206, 814]
261 1169 3 0.1300247606852561 0.6446992189210283 0.5146744582357723 [261, 1001, 995, 1169]
261 381 2 0.19895488840998793 0.7493710436075804 0.5504161551975926 [261, 354, 381]
261 140 3 0.03281598686194731 0.5842895703196697 0.5514735834577223 [261, 210, 202, 140]
261 147 2 0.10883255540806683 0.5821987055984995 0.4733661501904327 [261, 155, 147]
261 631 3 0.18728073855914318 0.6002398539552097 0.41295911539606656 [261, 210, 206, 631]
261 995 2 0.07190922111741764 0.5977831546253738 0.5258739335079562 [261, 1001, 995]
261 1039 3 0.0881192413642779 0.5863205871877046 0.49820134582342673 [261, 1001, 995, 1039]
261 1070 2 0.10015840083342159 0.6361110326405459 0.5359526318071244 [261, 1075, 1070]
261 1186 3 0.07728530780198609 0.5536627657637935 0.4763774579618074 [261, 1001, 995, 1186]
261 1190 3 0.1261415629459673 0.6572249590766024 0.5310833961306352 [261, 1001, 995, 1190]
261 1223 2 0.2607784543266291 0.5620445899894783 0.30126613566284915 [261, 1226, 1223]
261 257 2 0.09674919576098337 0.6887371657528615 0.5919879699918781 [261, 204, 257]
261 598 3 0.11214140954350856 0.6269067603214187 0.5147653507779101 [261, 158, 600, 598]
261 651 3 0.0 0.5390683030427897 0.5390683030427897 [261, 991, 944, 651]
261 409 2 0.34564273293403597 0.6029469480513866 0.25730421511735063 [261, 116, 409]
261 981 4 0.031547564288311424 0.521384609741029 0.48983704545271756 [261, 726, 1033, 1051, 981]
261 830 3 0.1580316764582344 0.5077346639960727 0.3497029875378383 [261, 845, 1080, 830]
261 966 3 0.11627448451043697 0.504740220773456 0.38846573626301906 [261, 1001, 978, 966]
261 1264 3 0.06290279102072077 0.5335135162792628 0.47061072525854203 [261, 311, 429, 1264]
261 355 3 0.15590558040459565 0.5635236853941881 0.4076181049895924 [261, 401, 258, 355]
261 579 4 0.11412726743359908 0.6685288289923379 0.5544015615587388 [261, 413, 243, 268, 579]
261 194 2 0.40390090646094073 0.5461485377370561 0.14224763127611534 [261, 204, 194]
261 939 3 0.1308848768889867 0.5342600494425291 0.40337517255354244 [261, 210, 206, 939]
261 1231 2 0.23673398895388736 0.5012856701259507 0.26455168117206335 [261, 1234, 1231]
261 207 2 0.13779981039072814 0.5703499036712761 0.432550093280548 [261, 210, 207]
261 813 3 0.029822226699631707 0.6236050455621232 0.5937828188624914 [261, 155, 147, 813]
261 861 3 0.12617726465591098 0.5962369145756243 0.4700596499197134 [261, 1001, 995, 861]
261 255 2 0.06851935461208725 0.5897099693590236 0.5211906147469364 [261, 204, 255]
261 640 2 0.04919085819638123 0.6493117323073044 0.6001208741109232 [261, 204, 640]
261 501 3 0.0833003283719004 0.5953575070529518 0.5120571786810514 [261, 413, 243, 501]
261 621 3 0.11644378029032026 0.5247721114285804 0.4083283311382601 [261, 971, 709, 621]
261 241 2 0.20719237120539383 0.5960590973064229 0.3888667261010291 [261, 158, 241]
261 293 2 0.12105724757098131 0.6203575471286681 0.4993002995576868 [261, 158, 293]
261 558 2 0.19579741399828066 0.6250022179396146 0.429204803941334 [261, 158, 558]
261 600 2 0.3367495154670411 0.5369494845448864 0.20019996907784532 [261, 158, 600]
261 228 3 0.5030422086795288 0.5963234632288399 0.09328125454931113 [261, 155, 189, 228]
261 175 3 0.0803253114433462 0.5045126889411358 0.42418737749778956 [261, 116, 230, 175]
261 429 2 0.053976140033112276 0.5750660948510817 0.5210899548179695 [261, 311, 429]
261 648 3 0.06277679296756263 0.5063258163646314 0.44354902339706875 [261, 158, 241, 648]
261 220 3 0.09905852663607133 0.5204407396177497 0.4213822129816784 [261, 158, 293, 220]
261 1080 2 0.14657845758389693 0.5780205207647358 0.43144206318083883 [261, 845, 1080]
261 1225 3 0.08515054377864067 0.5108627854759067 0.425712241697266 [261, 1226, 1223, 1225]
261 322 3 0.1260522194449914 0.619151653966446 0.4930994345214546 [261, 204, 257, 322]
261 305 3 0.07966010073409505 0.5178327112623453 0.4381726105282503 [261, 527, 297, 305]
261 371 2 0.10604450736833276 0.6022482306383294 0.4962037232699967 [261, 354, 371]
261 915 2 0.04160567210078915 0.5012081683144395 0.45960249621365035 [261, 210, 915]
261 1152 2 0.5070142288698791 0.5070142288698791 0.0 [261, 991, 1152]
261 292 4 0.026282791286222126 0.5065023984073901 0.48021960712116796 [261, 158, 293, 220, 292]
261 831 2 0.12190533900373055 0.5239209215832827 0.40201558257955217 [261, 354, 831]
261 785 2 0.12027828858179611 0.5272246838581213 0.40694639527632515 [261, 354, 785]
261 234 4 0.2755597058062541 0.6231046623005991 0.347544956494345 [261, 726, 1033, 753, 234]
261 753 3 0.10159771527444221 0.5553265252241201 0.45372880994967785 [261, 726, 1033, 753]
261 362 3 0.061496166900084 0.6929047780667525 0.6314086111666686 [261, 158, 293, 362]
261 645 4 0.06409182990164417 0.5387523871143155 0.4746605572126713 [261, 116, 564, 832, 645]
261 646 4 0.06949258986746984 0.5192742756139228 0.44978168574645294 [261, 116, 564, 832, 646]
261 496 3 0.15145136422595407 0.5358596342293289 0.38440827000337485 [261, 1001, 978, 496]
261 667 3 0.024485091799582578 0.5186836267231811 0.49419853492359855 [261, 158, 377, 667]
261 731 3 0.1330997439406426 0.5880549991192708 0.4549552551786282 [261, 158, 377, 731]
261 729 3 0.09163252919994876 0.5426399816168707 0.4510074524169219 [261, 158, 293, 729]
261 437 3 0.10555345931637859 0.5127970628984585 0.4072436035820799 [261, 354, 381, 437]
261 668 4 0.18707212616403063 0.5236056303600871 0.3365335041960565 [261, 158, 293, 428, 668]
261 1122 3 0.20557505559256128 0.5762473697400542 0.3706723141474929 [261, 354, 381, 1122]
261 641 2 0.0 0.5100145384244251 0.5100145384244251 [261, 413, 641]
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SCANS=1
PEPMASS=155.07001
CHARGE=1
COLLISION_ENERGY=0.0
43.018002 543.481995
72.936996 905.14801
79.054001 313.403992
81.07 517.939026
90.946999 432.428986
109.065002 92.637001
END IONS
BEGIN IONS
SCANS=2
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CHARGE=0
COLLISION_ENERGY=0.0
43.018002 156.923004
65.038002 364.631989
79.054001 464.233002
81.07 163.544998
91.054001 1180.671997
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109.064003 341.308014
END IONS
BEGIN IONS
SCANS=3
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CHARGE=1
COLLISION_ENERGY=0.0
42.034 33.134998
43.018002 16.816999
65.038002 237.729004
79.054001 386.197998
91.054001 1031.995972
105.07 74.796997
107.084999 200.287003
END IONS
BEGIN IONS
SCANS=4
PEPMASS=167.034
CHARGE=0
COLLISION_ENERGY=0.0
53.001999 248.669998
56.965 185.75
65.038002 1202.025024
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121.028 1480.522949
END IONS
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CHARGE=1
COLLISION_ENERGY=0.0
41.037998 85.376999
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55.018002 245.065994
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67.054001 743.468018
68.997002 566.112
END IONS
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CHARGE=1
COLLISION_ENERGY=0.0
43.018002 79.152
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79.054001 237.893005
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107.084999 121.337997
109.100998 293.867004
END IONS
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COLLISION_ENERGY=0.0
42.945 99.992996
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72.936996 117.0
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END IONS
BEGIN IONS
SCANS=8
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CHARGE=0
COLLISION_ENERGY=0.0
46.772999 112.396004
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52.289001 117.240997
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END IONS
BEGIN IONS
SCANS=9
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CHARGE=0
COLLISION_ENERGY=0.0
42.804001 114.318001
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63.215 119.241997
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END IONS
BEGIN IONS
SCANS=10
PEPMASS=173.498
CHARGE=0
COLLISION_ENERGY=0.0
41.219002 135.326996
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56.419998 146.619003
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88.336998 138.572006
95.910004 138.856995
115.054001 173.110992
END IONS
BEGIN IONS
SCANS=11
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CHARGE=1
COLLISION_ENERGY=0.0
70.245003 105.646004
79.054001 111.223
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91.054001 309.505005
100.917999 122.542
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END IONS
BEGIN IONS
SCANS=12
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COLLISION_ENERGY=0.0
55.933998 347.924011
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114.971001 185.371002
128.949997 68.886002
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END IONS
BEGIN IONS
SCANS=13
PEPMASS=177.05499
CHARGE=1
COLLISION_ENERGY=0.0
68.997002 96.845001
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103.054001 171.022003
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121.028 163.598999
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END IONS
BEGIN IONS
SCANS=14
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CHARGE=0
COLLISION_ENERGY=0.0
55.933998 71.198997
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115.054001 130.908997
117.069 166.421005
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145.063995 122.898003
END IONS
BEGIN IONS
SCANS=15
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CHARGE=0
COLLISION_ENERGY=0.0
43.018002 2819.1521
77.038002 3133.606934
91.054001 16299.568359
93.07 6017.168945
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105.043999 3632.00293
121.064003 15014.25
END IONS
BEGIN IONS
SCANS=16
PEPMASS=179.07001
CHARGE=1
COLLISION_ENERGY=0.0
43.018002 1034.51001
57.935001 1711.996948
95.049004 351.539001
109.064003 431.450012
116.972 1856.07605
121.064003 389.571991
END IONS
BEGIN IONS
SCANS=17
PEPMASS=179.07001
CHARGE=1
COLLISION_ENERGY=0.0
43.018002 45.272999
91.054001 98.102997
92.056999 181.082993
95.049004 156.063004
96.052002 192.207001
122.068001 241.485001
124.083 85.786003
END IONS
BEGIN IONS
SCANS=18
PEPMASS=180.06599
CHARGE=0
COLLISION_ENERGY=0.0
43.018002 136.207993
51.022999 8.127
77.038002 120.399002
94.065002 1228.061035
95.049004 338.639008
105.043999 88.397003
136.074997 80.168999
END IONS
BEGIN IONS
SCANS=19
PEPMASS=180.07401
CHARGE=0
COLLISION_ENERGY=0.0
43.018002 154.367996
78.042 226.643997
91.054001 271.903992
92.056999 453.30899
95.049004 369.898987
96.052002 523.877014
END IONS
BEGIN IONS
SCANS=20
PEPMASS=181.086
CHARGE=1
COLLISION_ENERGY=0.0
43.018002 13036.858398
57.935001 4522.528809
95.049004 4741.207031
109.064003 6134.365234
116.972 4453.203125
121.064003 5693.934082
135.080002 2877.387939
END IONS
BEGIN IONS
SCANS=21
PEPMASS=182.96201
CHARGE=0
COLLISION_ENERGY=0.0
51.939999 99.459999
56.942001 73.574997
67.934998 95.408997
96.936996 124.292999
113.962997 89.945
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137.964005 75.93
END IONS
BEGIN IONS
SCANS=22
PEPMASS=185.08099
CHARGE=1
COLLISION_ENERGY=0.0
43.018002 133.852997
45.033001 129.470993
69.032997 462.179993
83.012001 341.450012
97.064003 177.347
125.042999 755.698975
END IONS
BEGIN IONS
SCANS=23
PEPMASS=189.05499
CHARGE=1
COLLISION_ENERGY=0.0
68.997002 42.48
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91.054001 79.043999
105.07 99.842003
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160.050995 48.637001
END IONS
BEGIN IONS
SCANS=24
PEPMASS=189.05499
CHARGE=1
COLLISION_ENERGY=0.0
41.831001 141.514999
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51.745998 120.676003
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125.351997 135.184006
END IONS
BEGIN IONS
SCANS=25
PEPMASS=191.07001
CHARGE=1
COLLISION_ENERGY=0.0
43.018002 49.868
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68.997002 73.441002
79.054001 98.772003
91.054001 191.658005
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131.085007 100.490997
151.039001 179.334
END IONS
BEGIN IONS
SCANS=26
PEPMASS=191.07001
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 70.995003
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145.063995 83.915001
163.074997 141.862
END IONS
BEGIN IONS
SCANS=27
PEPMASS=191.10699
CHARGE=1
COLLISION_ENERGY=0.0
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159.080002 583.088989
END IONS
BEGIN IONS
SCANS=28
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CHARGE=2
COLLISION_ENERGY=0.0
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79.054001 1325.930054
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END IONS
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SCANS=29
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END IONS
BEGIN IONS
SCANS=30
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CHARGE=1
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END IONS
BEGIN IONS
SCANS=31
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CHARGE=1
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END IONS
BEGIN IONS
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END IONS
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SCANS=33
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END IONS
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79.054001 10318.756836
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END IONS
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SCANS=36
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42.034 8.869
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173.501007 45.130001
END IONS
BEGIN IONS
SCANS=37
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COLLISION_ENERGY=0.0
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91.054001 59.841999
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144.080002 207.117996
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END IONS
BEGIN IONS
SCANS=38
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CHARGE=1
COLLISION_ENERGY=0.0
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103.054001 190.873001
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END IONS
BEGIN IONS
SCANS=39
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
SCANS=40
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CHARGE=1
COLLISION_ENERGY=0.0
79.054001 44.389
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105.07 67.761002
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END IONS
BEGIN IONS
SCANS=41
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
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END IONS
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END IONS
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SCANS=45
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CHARGE=0
COLLISION_ENERGY=0.0
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END IONS
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SCANS=46
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CHARGE=0
COLLISION_ENERGY=0.0
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117.959 1004.47699
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END IONS
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SCANS=47
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CHARGE=1
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CHARGE=1
COLLISION_ENERGY=0.0
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79.054001 368.744995
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END IONS
BEGIN IONS
SCANS=49
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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COLLISION_ENERGY=0.0
43.018002 182.916
67.054001 115.931
91.054001 461.270996
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CHARGE=1
COLLISION_ENERGY=0.0
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COLLISION_ENERGY=0.0
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COLLISION_ENERGY=0.0
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105.07 1897.928955
115.054001 501.065002
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145.063995 1249.96106
147.080002 362.873993
173.498993 490.785004
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
55.054001 67.647003
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69.07 137.955994
93.07 110.357002
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135.115997 75.921997
137.095993 69.0
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173.496994 60.842999
191.179001 67.194
END IONS
BEGIN IONS
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CHARGE=0
COLLISION_ENERGY=0.0
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45.344002 23.059999
56.964001 136.742004
78.045998 41.938999
91.054001 80.462997
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165.546005 169.110992
173.496994 1125.79895
END IONS
BEGIN IONS
SCANS=64
PEPMASS=220.097
CHARGE=0
COLLISION_ENERGY=0.0
46.548 47.910999
48.881001 59.129002
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93.25 52.972
113.853996 50.743999
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158.201004 52.838001
173.494995 492.315002
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
68.997002 114.608002
91.054001 311.097992
103.054001 224.436996
107.049004 226.895004
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147.044006 439.251007
149.059006 204.468002
END IONS
BEGIN IONS
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PEPMASS=221.078
CHARGE=1
COLLISION_ENERGY=0.0
52.313 95.778
62.279999 120.415001
72.716003 98.776001
79.054001 145.638
83.263 106.220001
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134.593994 123.111
169.684998 111.952003
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
44.223 135.287003
50.209 67.023003
59.640999 70.721001
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81.069 118.401001
100.537003 73.539001
173.498001 464.31601
END IONS
BEGIN IONS
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PEPMASS=221.07899
CHARGE=1
COLLISION_ENERGY=0.0
53.028 131.488998
67.054001 193.160995
84.595001 136.423004
87.490997 123.595001
94.065002 176.764999
123.389999 124.136002
170.862 114.431999
END IONS
BEGIN IONS
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PEPMASS=222.59399
CHARGE=2
COLLISION_ENERGY=0.0
56.965 118.239998
69.07 134.326996
70.511002 31.434999
75.410004 33.021
90.251999 31.540001
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165.546005 62.824001
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173.498993 229.707001
177.054001 67.179001
260.71701 35.368
276.053009 42.970001
312.074005 67.967003
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
66.045998 44.066002
94.041 72.086998
121.028 49.18
122.036003 418.744995
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150.031006 244.360992
173.496002 63.855999
END IONS
BEGIN IONS
SCANS=71
PEPMASS=223.09599
CHARGE=1
COLLISION_ENERGY=0.0
43.018002 1186.577026
79.054001 161.061996
91.054001 405.303986
109.064003 143.367004
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151.074997 466.927002
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173.498993 132.151993
END IONS
BEGIN IONS
SCANS=72
PEPMASS=224.12801
CHARGE=1
COLLISION_ENERGY=0.0
45.033001 16.841
51.334999 14.344
79.054001 45.737
91.054001 105.126999
107.084999 38.369999
114.988998 67.727997
135.080002 202.335007
165.089996 356.063995
173.496002 153.453995
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
68.997002 452.447998
79.054001 14.573
97.064003 79.668999
109.064003 11.408
155.033005 8.494
165.054001 11.453
173.044006 27.301001
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183.065002 365.753998
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
55.054001 194.873993
57.07 77.271004
69.07 71.957001
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83.084999 73.035004
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163.147995 73.613998
173.132004 21.635
173.496002 122.271004
180.173996 117.146004
181.158005 30.228001
END IONS
BEGIN IONS
SCANS=75
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CHARGE=0
COLLISION_ENERGY=0.0
69.032997 122.185997
83.012001 145.817001
95.084999 94.375
111.080002 80.871002
125.058998 93.064003
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185.080002 77.348999
191.106003 55.609001
END IONS
BEGIN IONS
SCANS=76
PEPMASS=227.10699
CHARGE=1
COLLISION_ENERGY=0.0
55.018002 55.445999
56.965 70.920998
67.054001 20.74
68.997002 22.965
95.084999 28.483
152.061996 98.849998
153.069 67.124001
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197.059006 132.115005
198.067001 410.916992
END IONS
BEGIN IONS
SCANS=77
PEPMASS=227.12801
CHARGE=0
COLLISION_ENERGY=0.0
43.018002 52.661999
69.032997 118.061996
83.012001 151.677994
111.064003 169.735001
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139.074997 81.384003
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185.080002 106.055
END IONS
BEGIN IONS
SCANS=78
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CHARGE=1
COLLISION_ENERGY=0.0
67.054001 88.584
69.07 93.569
91.054001 107.121002
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131.085007 104.615997
149.095993 56.002998
177.089996 59.449001
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191.106003 107.759003
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
55.054001 146.207993
67.054001 177.615005
81.07 135.772995
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109.100998 80.309998
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193.158005 38.276001
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
43.018002 58.165001
44.049 56.444
67.054001 123.218002
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152.106003 393.22699
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188.126999 83.064003
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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57.07 60.049999
58.064999 684.427002
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173.496994 124.848
END IONS
BEGIN IONS
SCANS=82
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CHARGE=1
COLLISION_ENERGY=0.0
43.018002 54.931999
53.423 40.662998
79.054001 53.327999
91.054001 102.577003
128.061996 143.386993
129.070007 133.341995
143.085007 119.0
173.498001 221.222
185.059006 131.548996
END IONS
BEGIN IONS
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CHARGE=0
COLLISION_ENERGY=0.0
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115.054001 88.290001
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END IONS
BEGIN IONS
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CHARGE=0
COLLISION_ENERGY=0.0
43.018002 6.741
55.054001 18.358999
91.054001 75.834
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END IONS
BEGIN IONS
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COLLISION_ENERGY=0.0
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149.059006 62.542999
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=0
COLLISION_ENERGY=0.0
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END IONS
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END IONS
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CHARGE=1
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END IONS
BEGIN IONS
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CHARGE=1
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
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END IONS
BEGIN IONS
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COLLISION_ENERGY=0.0
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END IONS
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END IONS
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COLLISION_ENERGY=0.0
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END IONS
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COLLISION_ENERGY=0.0
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END IONS
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COLLISION_ENERGY=0.0
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END IONS
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CHARGE=1
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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173.059006 54.504002
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227.944 24.829
END IONS
BEGIN IONS
SCANS=120
PEPMASS=251.12801
CHARGE=1
COLLISION_ENERGY=0.0
55.054001 376.945007
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79.054001 137.014008
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127.039001 735.643982
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195.080002 21.385
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
67.054001 301.554993
91.054001 1008.28302
105.07 1165.005981
107.084999 1085.837036
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145.100998 377.290985
175.110992 1033.088013
187.147995 304.717987
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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75.043999 195.220001
81.07 71.251999
93.07 47.249001
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177.126999 380.958008
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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72.023003 46.096001
76.870003 55.187
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106.071999 56.252998
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188.143005 108.969002
192.285995 51.192001
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
49.707001 81.344002
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64.362 65.744003
69.538002 68.294998
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130.662003 78.390999
173.498993 482.733002
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
46.465 7.189
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94.065002 18.714001
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206.154007 429.164001
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
70.065002 912.192017
79.054001 6.478
99.068001 13.486
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173.496002 50.423
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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91.054001 426.888
95.049004 177.649002
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165.054001 175.264999
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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95.066002 59.403999
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151.037994 460.670013
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193.048996 92.682999
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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79.054001 37.289001
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END IONS
BEGIN IONS
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CHARGE=1
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55.054001 36.566002
57.07 166.662994
69.07 49.682999
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102.091003 111.258003
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186.184998 31.377001
END IONS
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CHARGE=1
COLLISION_ENERGY=0.0
50.272999 3.45
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66.676003 2.937
66.996002 3.59
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201.091003 1795.840942
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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79.054001 122.578003
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117.069 221.085007
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197.132004 44.273998
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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58.064999 680.007996
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228.126999 15.005
END IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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115.054001 109.983002
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213.054001 324.800995
END IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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203.033005 64.531998
END IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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COLLISION_ENERGY=0.0
55.054001 84.171997
67.054001 109.342003
79.054001 205.598007
81.07 370.928009
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105.07 173.352005
131.085007 134.792007
177.054001 170.468994
189.054001 46.896999
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205.048996 59.185001
237.162994 27.129999
END IONS
BEGIN IONS
SCANS=175
PEPMASS=274.14401
CHARGE=1
COLLISION_ENERGY=0.0
46.706001 28.035999
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70.065002 33.769001
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206.080994 379.582001
219.664001 22.915001
END IONS
BEGIN IONS
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PEPMASS=274.21701
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 39.488998
70.065002 84.143997
91.054001 186.557007
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146.095993 409.205994
154.158005 288.937012
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204.173996 46.285
END IONS
BEGIN IONS
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CHARGE=0
COLLISION_ENERGY=0.0
57.07 208.348007
70.065002 426.506012
88.074997 480.428009
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173.5 122.432999
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206.643005 3.068
212.235992 4.452
230.246994 18.622
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
52.151001 22.487
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219.063995 24.677
221.044006 160.621994
END IONS
BEGIN IONS
SCANS=179
PEPMASS=275.091
CHARGE=0
COLLISION_ENERGY=0.0
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91.054001 163.951996
105.07 110.924004
145.100998 83.497002
158.072006 119.952003
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203.106003 189.272995
END IONS
BEGIN IONS
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CHARGE=0
COLLISION_ENERGY=0.0
67.054001 47.405998
81.07 58.578999
91.054001 75.888
93.07 49.625
105.069 90.321999
129.069 50.978001
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233.117004 63.240002
END IONS
BEGIN IONS
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CHARGE=0
COLLISION_ENERGY=0.0
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70.065002 56.221001
79.054001 204.244003
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152.042007 94.771004
177.054001 83.841003
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247.132004 62.987
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
67.054001 674.458984
79.054001 997.562012
91.054001 1452.803955
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215.179001 101.945
231.100998 18.917999
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239.179001 213.710999
247.132004 36.208
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
67.054001 5.03
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91.054001 13.11
93.07 5.499
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208.095993 411.619995
END IONS
BEGIN IONS
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CHARGE=0
COLLISION_ENERGY=0.0
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248.237 533.442017
250.0 3.76
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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79.054001 163.630005
81.050003 258.782013
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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93.07 23.65
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END IONS
BEGIN IONS
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CHARGE=0
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=0
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=0
COLLISION_ENERGY=0.0
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END IONS
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COLLISION_ENERGY=0.0
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END IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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81.07 2397.449951
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END IONS
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END IONS
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END IONS
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CHARGE=1
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END IONS
BEGIN IONS
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END IONS
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END IONS
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END IONS
BEGIN IONS
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END IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
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COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
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END IONS
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END IONS
BEGIN IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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247.059998 95.341003
END IONS
BEGIN IONS
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COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
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CHARGE=0
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=0
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
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END IONS
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COLLISION_ENERGY=0.0
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END IONS
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CHARGE=0
COLLISION_ENERGY=0.0
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END IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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67.054001 2040.552002
79.054001 1001.27002
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
BEGIN IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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269.117004 168.031998
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
67.054001 242.406006
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257.188995 90.611
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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247.975998 23.288
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
55.054001 43.924999
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195.065002 284.438995
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277.106995 157.216003
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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81.07 154.945007
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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108.080002 197.365997
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262.252014 480.411987
266.247009 25.516001
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
67.054001 395.636993
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81.069 482.588989
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282.122986 15.678
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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222.039993 31.451
END IONS
BEGIN IONS
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CHARGE=0
COLLISION_ENERGY=0.0
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81.07 40.513
85.100998 26.605
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267.101013 468.281006
END IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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81.069 352.161011
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END IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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173.496002 301.502014
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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287.042999 130.227997
END IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
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CHARGE=1
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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79.054001 273.347992
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END IONS
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END IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
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COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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END IONS
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COLLISION_ENERGY=0.0
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END IONS
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COLLISION_ENERGY=0.0
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
BEGIN IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
BEGIN IONS
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END IONS
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END IONS
BEGIN IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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256.699005 12.12
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275.091003 1027.750977
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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280.153992 41.433998
END IONS
BEGIN IONS
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PEPMASS=321.13101
CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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PEPMASS=321.13101
CHARGE=1
COLLISION_ENERGY=0.0
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279.867004 16.6
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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79.054001 24.481001
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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173.494995 274.536011
185.132004 253.811996
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
55.054001 83.797997
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304.088989 97.584999
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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250.106995 75.708
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
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276.855011 23.438
END IONS
BEGIN IONS
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CHARGE=1
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249.042007 72.452003
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
BEGIN IONS
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END IONS
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END IONS
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END IONS
BEGIN IONS
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END IONS
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END IONS
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END IONS
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END IONS
BEGIN IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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173.496002 275.55899
219.063004 55.192001
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265.046997 50.953999
END IONS
BEGIN IONS
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PEPMASS=331.15201
CHARGE=1
COLLISION_ENERGY=0.0
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285.112 12.61
END IONS
BEGIN IONS
SCANS=414
PEPMASS=331.15201
CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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PEPMASS=331.18799
CHARGE=1
COLLISION_ENERGY=0.0
55.054001 103.538002
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67.054001 277.385986
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251.022003 33.719002
END IONS
BEGIN IONS
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PEPMASS=331.18799
CHARGE=1
COLLISION_ENERGY=0.0
55.054001 47.299999
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213.464005 40.256001
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
53.537998 58.543999
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116.653999 55.462002
120.924004 61.509998
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END IONS
BEGIN IONS
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PEPMASS=331.189
CHARGE=1
COLLISION_ENERGY=0.0
59.659 40.574001
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271.257996 42.291
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
51.939999 50.853001
52.27 25.348
63.191002 22.534
119.207001 26.386
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END IONS
BEGIN IONS
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CHARGE=0
COLLISION_ENERGY=0.0
56.049 31.275
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74.059998 103.234001
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
56.049 61.800999
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58.064999 30.275
74.059998 65.043999
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284.294006 203.332001
END IONS
BEGIN IONS
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CHARGE=0
COLLISION_ENERGY=0.0
56.965 18.127001
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292.010986 34.301998
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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257.079987 51.229
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
67.054001 12.225
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81.069 66.453003
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244.108994 23.733999
245.117004 154.477005
END IONS
BEGIN IONS
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CHARGE=0
COLLISION_ENERGY=0.0
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93.07 19.547001
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END IONS
BEGIN IONS
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CHARGE=0
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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81.069 796.190979
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END IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
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COLLISION_ENERGY=0.0
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END IONS
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END IONS
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CHARGE=1
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END IONS
BEGIN IONS
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END IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
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END IONS
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END IONS
BEGIN IONS
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COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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END IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
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END IONS
BEGIN IONS
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CHARGE=1
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END IONS
BEGIN IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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CHARGE=1
COLLISION_ENERGY=0.0
53.962002 29.198999
55.063 34.084
79.054001 168.858994
81.07 50.110001
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135.080002 165.876007
148.733002 172.921997
151.074997 131.320999
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173.496994 905.047974
225.089996 439.777008
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252.113998 301.595001
255.136993 368.011993
268.109009 428.066986
283.131989 849.564026
311.127014 692.703003
END IONS
BEGIN IONS
SCANS=462
PEPMASS=344.147
CHARGE=1
COLLISION_ENERGY=0.0
51.004002 48.791
59.375999 20.507999
66.799004 18.802
79.820999 22.195999
82.351997 20.823
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158.908997 17.080999
173.496994 1187.265991
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253.080994 23.962
257.063995 19.827999
258.072998 203.378998
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276.083008 257.493988
END IONS
BEGIN IONS
SCANS=463
PEPMASS=344.18399
CHARGE=1
COLLISION_ENERGY=0.0
59.563999 53.987
65.904999 59.512001
148.729004 399.93399
166.501007 56.358002
173.5 309.437988
221.671997 62.874001
249.925995 57.898998
END IONS
BEGIN IONS
SCANS=464
PEPMASS=344.31601
CHARGE=1
COLLISION_ENERGY=0.0
55.054001 24.596001
56.049 28.791
60.043999 364.207001
67.054001 19.966
69.069 20.34
88.074997 189.658997
173.496002 31.202
177.231995 3.8
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252.268005 16.077
254.283005 6.003
264.268005 12.942
270.278992 14.461
282.278992 106.970001
300.289001 156.378006
END IONS
BEGIN IONS
SCANS=465
PEPMASS=345.07401
CHARGE=1
COLLISION_ENERGY=0.0
53.223999 40.213001
71.122002 46.432999
95.987999 40.368
104.450996 42.919998
105.456001 52.108002
148.731003 284.07901
173.496002 259.091003
199.110992 195.363998
200.623001 39.424
END IONS
BEGIN IONS
SCANS=466
PEPMASS=345.095
CHARGE=1
COLLISION_ENERGY=0.0
51.293999 38.014999
51.473 47.873001
86.605003 42.132999
87.806999 42.560001
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123.683998 39.685001
138.778 39.625
167.356995 39.52
168.067001 43.373001
173.498993 546.551025
233.041 45.109001
END IONS
BEGIN IONS
SCANS=467
PEPMASS=345.095
CHARGE=1
COLLISION_ENERGY=0.0
53.863998 29.663
56.558998 29.447001
71.737999 30.511999
80.973 36.654999
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148.729996 277.378998
173.498001 197.923996
177.050995 214.518005
200.731995 33.604
222.274994 37.073002
301.105011 52.236
END IONS
BEGIN IONS
SCANS=468
PEPMASS=345.13101
CHARGE=1
COLLISION_ENERGY=0.0
66.230003 33.835999
81.069 93.344002
87.898003 37.049999
91.054001 53.737999
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123.443001 35.275002
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173.496994 384.415985
191.031006 78.025002
193.878998 37.731998
233.266006 35.012001
273.18399 72.984001
293.186005 37.390999
END IONS
BEGIN IONS
SCANS=469
PEPMASS=346.22299
CHARGE=1
COLLISION_ENERGY=0.0
52.886002 24.167999
54.631001 28.16
59.374001 30.08
87.196999 27.343
121.064003 40.355999
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173.498001 269.199005
181.085007 153.244995
251.815002 28.492001
258.967987 27.679001
282.822998 29.945999
283.153992 196.617004
END IONS
BEGIN IONS
SCANS=470
PEPMASS=347.08801
CHARGE=1
COLLISION_ENERGY=0.0
55.018002 83.310997
69.069 23.222
71.606003 22.422001
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134.059006 22.76
149.046997 47.772999
173.496002 424.539001
192.065002 160.539993
193.048996 76.619003
218.080994 51.528
250.070007 38.233002
END IONS
BEGIN IONS
SCANS=471
PEPMASS=347.09
CHARGE=1
COLLISION_ENERGY=0.0
79.054001 35.124001
90.815002 34.504002
90.990997 33.771
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155.100006 43.972
173.498001 494.951996
181.016998 53.646
213.126007 36.585999
223.026993 54.595001
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264.977997 35.224998
267.016998 72.136002
END IONS
BEGIN IONS
SCANS=472
PEPMASS=347.10999
CHARGE=1
COLLISION_ENERGY=0.0
51.922001 37.437
60.785 41.193001
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127.933998 39.673
132.337006 37.958
173.496002 498.548004
215.772003 40.303001
233.041 99.875
278.355011 41.099998
END IONS
BEGIN IONS
SCANS=473
PEPMASS=347.11099
CHARGE=1
COLLISION_ENERGY=0.0
56.965 63.236
62.063999 43.643002
62.624001 44.585999
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86.833 50.233002
89.122002 53.143002
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152.740005 42.470001
168.548996 43.922001
173.498001 467.110992
218.720001 48.171001
235.863007 48.518002
END IONS
BEGIN IONS
SCANS=474
PEPMASS=347.11099
CHARGE=1
COLLISION_ENERGY=0.0
56.251999 53.175999
83.747002 56.345001
95.276001 63.229
99.057999 57.081001
152.507996 57.125999
173.496994 598.382019
196.520004 58.972
275.473999 55.688999
END IONS
BEGIN IONS
SCANS=475
PEPMASS=347.11099
CHARGE=1
COLLISION_ENERGY=0.0
59.837002 58.084
62.945 58.580002
67.011002 55.116001
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163.888 55.743999
173.498001 596.534973
END IONS
BEGIN IONS
SCANS=476
PEPMASS=347.11099
CHARGE=1
COLLISION_ENERGY=0.0
50.196999 60.665001
51.372002 57.618999
79.491997 69.295998
114.195 56.799999
115.042 57.375
173.498993 628.570007
187.106003 69.674004
END IONS
BEGIN IONS
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PEPMASS=347.11301
CHARGE=1
COLLISION_ENERGY=0.0
55.054001 11.785
67.054001 10.512
81.069 79.110001
95.084999 53.844002
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287.091003 92.216003
311.09201 18.615999
END IONS
BEGIN IONS
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PEPMASS=347.147
CHARGE=1
COLLISION_ENERGY=0.0
51.256001 37.667
55.450001 15.737
86.787003 32.882999
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173.496994 623.661011
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217.121994 449.493988
220.070007 580.185974
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287.123993 70.549004
299.125 385.067993
END IONS
BEGIN IONS
SCANS=479
PEPMASS=347.147
CHARGE=1
COLLISION_ENERGY=0.0
53.534 45.999001
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67.054001 51.729
74.106003 52.0
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173.496994 351.744995
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303.156006 44.321999
END IONS
BEGIN IONS
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PEPMASS=347.18301
CHARGE=1
COLLISION_ENERGY=0.0
61.743 45.056
86.795998 119.343002
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311.497009 55.694
END IONS
BEGIN IONS
SCANS=481
PEPMASS=347.186
CHARGE=0
COLLISION_ENERGY=0.0
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219.138 22.445999
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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86.059998 14.862
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262.106995 220.878006
269.153015 7.147
END IONS
BEGIN IONS
SCANS=483
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CHARGE=1
COLLISION_ENERGY=0.0
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81.445999 5.262
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234.112 416.404999
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293.872009 5.683
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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56.164001 6.437
67.054001 7.874
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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130.130997 43.827999
155.319 42.631001
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255.806 100.614998
298.151001 50.901001
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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295.5 60.493
313.177002 59.025002
END IONS
BEGIN IONS
SCANS=487
PEPMASS=349.19901
CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
SCANS=488
PEPMASS=349.19901
CHARGE=1
COLLISION_ENERGY=0.0
58.25 35.849998
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
SCANS=490
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CHARGE=1
COLLISION_ENERGY=0.0
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313.179993 23.823
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
62.060001 5.55
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END IONS
BEGIN IONS
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PEPMASS=349.25299
CHARGE=1
COLLISION_ENERGY=0.0
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93.07 224.358994
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213.126999 492.987
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307.204987 57.522999
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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173.498993 684.872986
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259.096985 74.476997
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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304.153992 540.184021
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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331.915985 34.365002
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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173.496002 971.260986
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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79.054001 27.445
79.801003 26.024
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249.042999 44.900002
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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81.07 33.424999
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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148.731003 79.551003
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323.273987 30.381001
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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308.898987 9.722
END IONS
BEGIN IONS
SCANS=509
PEPMASS=357.17001
CHARGE=1
COLLISION_ENERGY=0.0
55.018002 42.151001
69.032997 173.063995
81.07 120.339996
105.069 111.695
131.085007 165.985001
157.100998 116.519997
159.115997 435.377014
173.496994 102.614998
187.110992 32.837002
201.126999 96.831001
229.121994 91.089996
251.106995 45.071999
253.121994 37.237
269.117004 142.414001
297.112 19.879
311.164001 132.459
END IONS
BEGIN IONS
SCANS=510
PEPMASS=357.31601
CHARGE=0
COLLISION_ENERGY=0.0
81.069 733.466003
93.069 372.031006
95.084999 781.268005
107.084999 438.529999
109.100998 424.032013
149.132004 130.987
173.496994 327.787994
189.162994 79.195
203.179001 64.316002
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243.210007 26.864
247.205002 28.551001
275.237 23.775999
299.27301 112.985001
300.277008 17.952999
304.963989 8.441
317.207001 5.007
END IONS
BEGIN IONS
SCANS=511
PEPMASS=358.12701
CHARGE=1
COLLISION_ENERGY=0.0
53.487 17.815001
62.178001 18.469999
63.952999 19.037001
66.884003 21.098
90.240997 20.737
148.731995 164.035995
173.496994 123.011002
208.093002 20.667999
239.033997 20.493999
255.858002 23.139999
269.11499 27.846001
313.104004 456.679993
314.135986 47.639999
315.602997 19.329
END IONS
BEGIN IONS
SCANS=512
PEPMASS=359.147
CHARGE=1
COLLISION_ENERGY=0.0
51.436001 45.057999
60.474998 38.709999
67.040001 44.979
85.656998 42.835999
101.572998 46.790001
102.490997 43.777
155.688004 47.015999
158.996994 49.220001
173.496994 591.843018
242.360992 49.771999
END IONS
BEGIN IONS
SCANS=513
PEPMASS=359.147
CHARGE=1
COLLISION_ENERGY=0.0
52.973 42.429001
59.104 50.604
62.706001 48.993
66.168999 54.049999
81.986 94.015999
133.791 47.261002
173.496002 563.283997
188.904007 50.237999
201.604004 49.125999
END IONS
BEGIN IONS
SCANS=514
PEPMASS=359.147
CHARGE=1
COLLISION_ENERGY=0.0
58.126999 51.168999
76.458 50.678001
87.338997 57.612999
89.785004 60.046001
92.355003 55.869999
121.192001 54.813999
168.869995 53.285999
173.496002 616.525024
END IONS
BEGIN IONS
SCANS=515
PEPMASS=359.147
CHARGE=1
COLLISION_ENERGY=0.0
51.203999 40.173
55.082001 43.832001
68.588997 43.469002
73.444 42.748001
88.619003 45.955002
102.227997 43.832001
109.445 44.842999
128.026001 47.780998
173.496002 425.058014
180.231995 39.782001
209.931 44.300999
220.533005 44.191002
237.100006 43.428001
239.070999 50.608002
END IONS
BEGIN IONS
SCANS=516
PEPMASS=359.147
CHARGE=1
COLLISION_ENERGY=0.0
53.471001 37.936001
55.245998 36.174
58.348 38.804001
64.513 41.861
88.424004 37.231998
148.731003 337.830994
173.496994 252.914993
205.074005 48.326
208.942001 42.560001
220.132004 42.304001
231.292007 39.464001
270.463989 44.592999
END IONS
BEGIN IONS
SCANS=517
PEPMASS=359.186
CHARGE=1
COLLISION_ENERGY=0.0
55.933998 44.291
69.032997 67.528
91.054001 61.396
93.07 61.358002
105.07 55.352001
148.731995 102.161003
171.115997 46.780998
173.496002 134.348007
189.126999 61.261002
224.983994 63.367001
231.136993 90.727997
249.992004 29.671
268.002014 48.571999
271.134003 24.044001
279.694 23.301001
325.858002 20.018
END IONS
BEGIN IONS
SCANS=518
PEPMASS=361.16299
CHARGE=1
COLLISION_ENERGY=0.0
57.054001 60.591999
67.054001 69.917999
73.389 53.751999
81.07 99.521004
92.204002 61.146
114.865997 54.174999
169.022003 50.953999
173.496002 380.492004
196.354004 52.233002
203.246002 57.254002
221.080994 59.963001
END IONS
BEGIN IONS
SCANS=519
PEPMASS=361.21301
CHARGE=1
COLLISION_ENERGY=0.0
56.369999 3.142
58.703999 2.872
86.059998 472.914001
122.023003 4.728
176.070007 19.51
178.048996 19.788
192.065002 28.711
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206.080994 24.611
208.095993 282.898987
276.158997 57.507999
277.118011 11.996
291.132996 10.05
292.140991 16.275999
END IONS
BEGIN IONS
SCANS=520
PEPMASS=362.19699
CHARGE=1
COLLISION_ENERGY=0.0
52.074001 12.096
55.047001 61.284
62.234001 7.103
69.07 62.244999
82.065002 41.504002
91.054001 20.466999
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173.494003 145.514999
194.080994 228.330002
206.080994 473.269989
220.095993 122.567001
232.095993 574.44397
248.126999 1032.469971
276.122986 355.328003
300.158997 71.612999
316.190002 219.509003
END IONS
BEGIN IONS
SCANS=521
PEPMASS=362.19699
CHARGE=1
COLLISION_ENERGY=0.0
69.032997 2.655
87.043999 151.869003
91.054001 4.874
95.084999 3.029
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122.023003 8.652
176.070007 45.459
178.048996 51.838001
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193.072998 74.406998
206.080994 51.676998
208.095993 283.924011
263.11499 26.728001
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279.109009 15.909
292.117004 89.106003
293.125 65.226997
END IONS
BEGIN IONS
SCANS=522
PEPMASS=363.142
CHARGE=1
COLLISION_ENERGY=0.0
81.07 27.641001
101.058998 33.786999
121.064003 49.109001
123.041 92.706001
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173.496002 116.014
181.085007 167.542999
192.860001 15.502
203.067001 96.681
245.078003 56.118999
245.990005 14.229
261.846008 14.759
303.119995 237.718002
END IONS
BEGIN IONS
SCANS=523
PEPMASS=363.17801
CHARGE=1
COLLISION_ENERGY=0.0
51.528 20.632999
53.021999 20.818001
55.654999 20.923
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123.080002 30.968
148.733002 106.969002
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173.494003 86.251999
181.085007 427.862
236.735992 17.174
257.114014 29.516001
289.140015 66.773003
329.171997 32.472
END IONS
BEGIN IONS
SCANS=524
PEPMASS=364.17599
CHARGE=1
COLLISION_ENERGY=0.0
69.07 31.045
83.012001 5.27
91.054001 7.381
149.059006 22.343
151.074997 54.986
165.054001 79.371002
173.496002 32.014999
176.070007 27.385
206.080994 73.028999
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250.106995 198.110992
260.091003 14.426
278.10199 30.398001
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318.169006 158.912994
328.153992 26.284
END IONS
BEGIN IONS
SCANS=525
PEPMASS=364.19101
CHARGE=1
COLLISION_ENERGY=0.0
58.950001 21.0
62.473 18.389999
72.07 20.044001
91.054001 167.781998
105.07 48.298
165.419998 20.74
165.798004 19.669001
170.425003 21.072001
173.496994 390.196991
214.871002 23.790001
219.136993 20.761999
223.369995 25.422001
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296.127991 162.179001
299.483002 21.400999
END IONS
BEGIN IONS
SCANS=526
PEPMASS=365.10599
CHARGE=1
COLLISION_ENERGY=0.0
55.054001 24.243999
67.054001 82.546997
79.054001 94.189003
81.07 313.260986
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167.033005 226.322006
181.048996 25.584999
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195.028 76.602997
245.117004 20.385
273.112 91.964996
301.088989 11.737
319.100006 35.965
END IONS
BEGIN IONS
SCANS=527
PEPMASS=365.15799
CHARGE=0
COLLISION_ENERGY=0.0
59.049 20.629
60.313999 24.940001
92.542999 23.208
109.082001 141.212997
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315.050995 10.999
END IONS
BEGIN IONS
SCANS=528
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CHARGE=1
COLLISION_ENERGY=0.0
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81.07 34.056
91.296997 36.376999
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215.080994 57.435001
236.091003 147.242004
267.015991 29.906
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297.144989 62.393002
311.151001 30.042999
END IONS
BEGIN IONS
SCANS=529
PEPMASS=367.19101
CHARGE=0
COLLISION_ENERGY=0.0
56.964001 30.358999
79.054001 12.882
84.959 96.609001
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293.117004 35.799
299.127014 42.335999
321.101013 74.722
END IONS
BEGIN IONS
SCANS=530
PEPMASS=367.20999
CHARGE=0
COLLISION_ENERGY=0.0
59.049 37.924999
79.054001 38.284
81.069 88.431
91.802002 90.788002
95.084999 108.371002
123.080002 46.259998
167.033005 50.377998
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316.407013 35.451
END IONS
BEGIN IONS
SCANS=531
PEPMASS=367.26401
CHARGE=1
COLLISION_ENERGY=0.0
55.054001 42.724998
81.07 629.783997
93.07 569.414978
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107.084999 662.828003
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173.496994 288.579987
185.132004 265.78299
213.128998 551.252014
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267.209991 50.185001
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307.205994 60.664001
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END IONS
BEGIN IONS
SCANS=532
PEPMASS=369.17899
CHARGE=1
COLLISION_ENERGY=0.0
59.896 6.702
71.647003 6.875
75.636002 14.785
84.959 8.79
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285.084015 62.818001
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301.11499 69.278999
328.152008 24.304001
END IONS
BEGIN IONS
SCANS=533
PEPMASS=369.20599
CHARGE=1
COLLISION_ENERGY=0.0
69.07 78.077003
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105.07 10.736
135.080002 34.674
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226.098007 88.609001
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269.117004 88.260002
299.127991 29.1
END IONS
BEGIN IONS
SCANS=534
PEPMASS=369.27899
CHARGE=1
COLLISION_ENERGY=0.0
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93.069 320.497986
95.084999 338.653015
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173.496994 363.342987
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253.194 40.444
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269.226013 63.301998
293.226013 73.049004
301.143005 76.952003
321.257996 19.134001
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333.256989 14.938
END IONS
BEGIN IONS
SCANS=535
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CHARGE=1
COLLISION_ENERGY=0.0
59.643002 15.129
67.054001 17.177999
69.069 20.231001
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128.143005 86.870003
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347.006012 96.091003
END IONS
BEGIN IONS
SCANS=536
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CHARGE=1
COLLISION_ENERGY=0.0
55.054001 45.919998
55.958 46.007
69.753998 43.091
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148.727005 234.223999
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282.94101 40.431
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
81.069 857.054993
93.069 345.125
95.084999 773.367981
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109.100998 457.046997
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323.272003 37.988998
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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93.542 53.338001
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96.891998 56.984001
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108.542 47.424
173.496994 691.35199
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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96.043999 20.893999
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124.039001 324.893005
173.494003 21.754
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239.039001 1.995
286.106995 182.334
END IONS
BEGIN IONS
SCANS=540
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CHARGE=1
COLLISION_ENERGY=0.0
55.703999 3.305
58.672001 16.732
92.237999 19.124001
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313.104004 1501.349976
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
52.646999 20.252001
65.415001 15.924
74.273003 27.143999
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303.132996 369.108002
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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91.362999 50.742001
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247.843002 50.943001
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
54.087002 51.301998
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108.429001 52.792
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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105.07 180.774002
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END IONS
BEGIN IONS
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END IONS
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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105.07 69.481003
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
59.025002 25.128
67.054001 49.793999
69.032997 30.386999
81.069 60.477001
95.084999 87.792999
109.100998 127.067001
129.054001 55.476002
165.089996 29.872999
173.5 167.328003
177.089996 54.873001
205.158005 26.674999
233.153 94.246002
243.360992 21.943001
273.147003 23.891001
315.194 49.442001
343.190002 39.522999
END IONS
BEGIN IONS
SCANS=554
PEPMASS=379.33701
CHARGE=1
COLLISION_ENERGY=0.0
57.07 114.696999
67.054001 22.750999
69.07 767.27002
81.07 127.348999
83.084999 197.550003
95.084999 97.579002
145.100998 147.669998
157.100998 19.597
159.115997 113.444
173.494995 160.447998
199.147995 13.352
201.162994 10.631
225.162994 10.333
253.195007 82.480003
266.925995 7.411
295.242004 37.757
307.502014 9.332
END IONS
BEGIN IONS
SCANS=555
PEPMASS=380.207
CHARGE=1
COLLISION_ENERGY=0.0
69.07 11.651
91.054001 20.774
93.07 46.405998
119.049004 21.714001
121.064003 50.574001
147.044006 50.389999
149.059006 33.403
177.054001 26.542
179.070007 63.077999
209.080002 666.359009
264.339996 0.644
273.64801 0.713
277.143005 7.754
END IONS
BEGIN IONS
SCANS=556
PEPMASS=380.20999
CHARGE=1
COLLISION_ENERGY=0.0
52.080002 4.608
54.445 3.803
87.978996 5.904
89.058998 6.852
116.984001 135.927994
131.0 384.766998
143.0 272.809998
170.994003 153.332001
174.988998 280.343994
185.009995 317.115997
189.005005 372.343994
203.020996 121.085999
241.072006 60.723999
255.089005 6.355
282.278992 18.198999
283.119995 17.754
335.151001 25.614
337.166992 127.738998
339.183014 422.536987
349.627991 4.509
END IONS
BEGIN IONS
SCANS=557
PEPMASS=381.207
CHARGE=0
COLLISION_ENERGY=0.0
56.373001 5.073
57.473 3.115
69.07 34.360001
97.065002 54.353001
108.267998 3.956
114.071999 7.37
135.080002 9.941
165.089996 30.575001
173.494995 26.437
239.106003 135.438004
253.121994 165.401993
255.100998 161.350998
267.101013 220.923996
282.125 428.615997
283.096008 243.427002
298.119995 343.076996
312.13501 118.713997
END IONS
BEGIN IONS
SCANS=558
PEPMASS=382.16501
CHARGE=1
COLLISION_ENERGY=0.0
58.967999 19.094999
62.674 14.067
69.07 10.122
91.054001 37.091
93.07 19.486
121.064003 93.248001
132.044006 43.834999
148.729004 185.113998
151.074997 114.898003
173.496002 205.052002
216.065002 34.771
253.072998 57.717999
255.089005 49.303001
268.096008 36.91
270.112 95.117996
281.067993 119.612
296.09201 721.721985
END IONS
BEGIN IONS
SCANS=559
PEPMASS=383.116
CHARGE=1
COLLISION_ENERGY=0.0
55.054001 75.921997
67.054001 311.212006
79.054001 105.038002
81.07 682.882019
95.084999 863.754028
123.064003 1476.82605
167.033005 1101.302979
173.496994 313.432007
193.048996 261.484985
195.028 237.235992
215.072998 528.500977
273.112 262.152008
285.112 27.709
291.122986 323.962006
315.122986 5.795
319.098999 10.018
329.084015 18.593
END IONS
BEGIN IONS
SCANS=560
PEPMASS=383.13199
CHARGE=1
COLLISION_ENERGY=0.0
58.257999 66.835999
69.109001 68.239998
74.639999 73.244003
96.421997 67.919998
121.405998 77.801003
139.880997 62.705002
143.774994 76.690002
173.498993 302.188995
198.182999 59.150002
221.078003 145.225006
END IONS
BEGIN IONS
SCANS=561
PEPMASS=383.13199
CHARGE=1
COLLISION_ENERGY=0.0
56.439999 88.518997
61.618999 77.344002
82.240997 88.530998
102.153999 80.553001
103.706001 83.209
140.723007 81.686996
163.294006 88.611
173.498001 411.546997
END IONS
BEGIN IONS
SCANS=562
PEPMASS=383.22198
CHARGE=0
COLLISION_ENERGY=0.0
52.341 7.532
57.412998 9.349
69.069 122.625
91.054001 66.078003
93.07 23.135
121.064003 101.783997
135.080002 99.886002
151.074997 800.036011
165.089996 454.578003
173.496002 320.070007
179.106003 103.838997
225.089996 154.210007
231.138 122.282997
240.113998 253.770996
255.136993 450.812988
283.131989 202.203995
313.144012 75.800003
314.100006 11.44
315.158997 247.690994
END IONS
BEGIN IONS
SCANS=563
PEPMASS=383.259
CHARGE=0
COLLISION_ENERGY=0.0
81.069 211.311005
93.069 215.201996
95.084999 206.404007
105.069 231.589005
119.084999 184.884003
159.115997 58.268002
167.033005 158.641998
173.498001 224.337997
201.162994 42.865002
215.072998 38.488998
273.110992 25.952999
285.112 11.744
291.122009 20.865
319.242004 10.649
337.252014 13.66
END IONS
BEGIN IONS
SCANS=564
PEPMASS=383.33099
CHARGE=0
COLLISION_ENERGY=0.0
67.054001 28.591999
69.069 158.503998
83.084999 38.720001
105.069 39.500999
107.084999 54.415001
133.100998 46.325001
145.100998 45.136002
165.089996 84.406998
173.498001 76.952003
223.110992 34.664001
225.089996 30.351
240.113998 54.27
255.136993 69.906998
283.132996 39.241001
315.158997 199.014999
END IONS
BEGIN IONS
SCANS=565
PEPMASS=384.17899
CHARGE=0
COLLISION_ENERGY=0.0
67.054001 30.225
81.069 37.540001
95.084999 30.285999
105.07 31.610001
107.084999 51.541
119.084999 38.164001
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157.100006 24.431999
173.496994 212.048004
185.095993 24.110001
213.162994 22.961
285.096008 30.718
286.105011 21.945999
314.098999 91.815002
315.106995 250.677002
316.11499 65.825996
END IONS
BEGIN IONS
SCANS=566
PEPMASS=385.117
CHARGE=1
COLLISION_ENERGY=0.0
56.556999 10.643
56.965 66.258003
69.032997 11.95
80.319 11.124
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84.959 110.059998
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273.063995 32.748001
283.048004 20.702999
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321.101013 39.428001
339.110992 225.132996
END IONS
BEGIN IONS
SCANS=567
PEPMASS=385.16299
CHARGE=1
COLLISION_ENERGY=0.0
64.388 28.236
79.054001 34.083
85.028 39.131001
97.028 62.943001
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148.735001 150.735992
151.074997 59.412998
165.089996 326.937012
173.501007 103.126999
267.067993 50.773998
272.958008 25.841999
END IONS
BEGIN IONS
SCANS=568
PEPMASS=385.27399
CHARGE=1
COLLISION_ENERGY=0.0
81.07 1070.487061
93.07 907.892029
95.084999 1162.713989
105.07 727.974976
107.084999 1180.640015
119.084999 888.380981
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271.151001 74.940002
299.164001 66.918999
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337.252014 112.870003
339.268005 200.792999
END IONS
BEGIN IONS
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PEPMASS=385.27399
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 57.737999
81.069 125.896004
93.069 83.635002
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107.084999 91.561996
123.115997 81.042
173.498001 342.274994
293.226013 44.917999
END IONS
BEGIN IONS
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PEPMASS=387.14401
CHARGE=1
COLLISION_ENERGY=0.0
59.908001 9.699
69.032997 34.410999
81.032997 17.240999
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97.028 39.971001
125.023003 745.729004
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169.619995 8.681
172.557007 8.723
173.496002 107.928001
306.263 8.855
END IONS
BEGIN IONS
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PEPMASS=387.15601
CHARGE=1
COLLISION_ENERGY=0.0
55.054001 323.067993
81.07 360.375
95.084999 6.847
97.047997 916.078003
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167.033005 2470.093018
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227.106003 14.161
255.100998 12.644
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301.143005 11.004
END IONS
BEGIN IONS
SCANS=572
PEPMASS=387.276
CHARGE=2
COLLISION_ENERGY=0.0
75.072998 21.582001
80.169998 24.254
81.07 42.513
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433.247009 82.695
440.596985 22.851
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597.150024 23.066
END IONS
BEGIN IONS
SCANS=573
PEPMASS=387.29001
CHARGE=0
COLLISION_ENERGY=0.0
57.07 56.141998
69.069 349.01001
83.084999 90.470001
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367.020996 3.728
END IONS
BEGIN IONS
SCANS=574
PEPMASS=387.29001
CHARGE=1
COLLISION_ENERGY=0.0
55.054001 28.962999
81.069 189.639008
93.07 100.323997
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351.268005 60.333
END IONS
BEGIN IONS
SCANS=575
PEPMASS=389.17099
CHARGE=1
COLLISION_ENERGY=0.0
55.054001 38.132
81.049004 253.537003
97.100998 17.202
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167.033005 400.675995
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195.028 146.839996
227.106003 5.614
255.100006 5.119
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350.311005 4.463
END IONS
BEGIN IONS
SCANS=576
PEPMASS=390.12299
CHARGE=0
COLLISION_ENERGY=0.0
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73.459999 27.299999
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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82.626999 13.551
142.029007 212.960007
173.496002 109.151001
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204.074005 14.049
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306.140991 34.333
311.044006 24.306
END IONS
BEGIN IONS
SCANS=578
PEPMASS=390.19199
CHARGE=1
COLLISION_ENERGY=0.0
56.277 8.503
57.07 26.377001
67.054001 59.146999
69.07 9.118
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END IONS
BEGIN IONS
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PEPMASS=391.285
CHARGE=1
COLLISION_ENERGY=0.0
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149.022995 648.395996
167.033005 49.678001
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END IONS
BEGIN IONS
SCANS=580
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CHARGE=1
COLLISION_ENERGY=0.0
53.716 4.601
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69.07 22.080999
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328.153992 56.004002
END IONS
BEGIN IONS
SCANS=581
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CHARGE=1
COLLISION_ENERGY=0.0
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81.07 58.028
85.010002 48.408001
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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72.543999 5.149
106.494003 6.136
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
57.07 137.089005
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93.07 85.487999
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
62.060001 8.778
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79.054001 7.827
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END IONS
BEGIN IONS
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PEPMASS=393.203
CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
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COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=0
COLLISION_ENERGY=0.0
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END IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
69.069 31.679001
79.054001 11.84
81.07 11.658
91.054001 29.139
107.084999 23.528
135.080002 174.606995
153.089996 43.84
165.089996 488.43399
173.496002 140.029007
195.121994 15.188
219.746994 6.777
249.115997 7.182
291.507996 7.751
336.855011 8.348
END IONS
BEGIN IONS
SCANS=596
PEPMASS=395.33099
CHARGE=1
COLLISION_ENERGY=0.0
55.054001 30.341
57.07 57.790001
69.07 373.60199
81.069 43.624001
83.084999 104.776001
125.132004 43.331001
155.085007 18.405001
157.100998 23.49
173.496002 39.390999
211.147995 41.797001
213.162994 19.042
251.179001 49.099998
253.195007 28.978001
269.190002 21.037001
293.226013 31.346001
307.242004 15.116
311.235992 30.808001
325.252014 9.13
END IONS
BEGIN IONS
SCANS=597
PEPMASS=395.36401
CHARGE=1
COLLISION_ENERGY=0.0
55.054001 63.967999
69.07 37.473999
81.07 49.834999
95.084999 44.627998
124.112 32.692001
148.731003 41.201
173.498001 88.839996
180.173996 49.953999
197.201004 473.789001
198.184998 71.878998
224.167999 14.14
END IONS
BEGIN IONS
SCANS=598
PEPMASS=397.202
CHARGE=1
COLLISION_ENERGY=0.0
53.874001 17.357
66.587997 12.389
79.788002 12.882
85.064003 19.608
97.064003 85.232002
124.952003 13.451
165.089996 69.613998
173.496994 205.727005
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239.106003 88.969002
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282.123993 180.628006
283.096008 156.164001
298.118988 176.035004
299.127014 41.793999
313.143005 700.754028
365.174988 6.736
END IONS
BEGIN IONS
SCANS=599
PEPMASS=398.194
CHARGE=1
COLLISION_ENERGY=0.0
63.085999 52.773998
82.838997 47.882
90.353996 55.022999
99.57 49.061001
111.751999 50.933998
115.963997 60.321999
169.720001 45.094002
172.850998 53.431
173.498001 365.927002
308.300995 54.568001
329.122986 164.985001
END IONS
BEGIN IONS
SCANS=600
PEPMASS=399.21701
CHARGE=1
COLLISION_ENERGY=0.0
57.07 19.896999
84.080002 11.961
87.986 10.454
100.883003 11.335
101.058998 18.1
129.054001 18.285
147.063995 15.364
165.091003 16.174
173.498993 139.675995
179.070007 11.641
239.106003 46.036999
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267.101013 71.598
282.125 158.160004
283.096008 76.431999
298.119995 97.804001
313.143005 201.268997
358.468994 11.851
END IONS
BEGIN IONS
SCANS=601
PEPMASS=399.25101
CHARGE=1
COLLISION_ENERGY=0.0
55.054001 67.355003
57.07 160.619003
83.084999 38.192001
98.984001 55.133999
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173.496994 191.380997
199.072006 218.595993
243.098999 14.005
281.721985 11.932
284.990997 9.256
299.161011 147.938004
END IONS
BEGIN IONS
SCANS=602
PEPMASS=400.14301
CHARGE=0
COLLISION_ENERGY=0.0
67.054001 32.112
79.054001 40.714001
81.07 175.126007
95.084999 186.367996
115.056999 59.157001
123.068001 390.800995
167.033005 248.382996
169.048996 70.773003
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215.072998 62.514
245.117004 25.337
273.110992 123.363998
284.102997 5.472
285.109985 6.828
286.118011 19.136999
291.122009 211.955994
347.093994 17.105
354.181 16.778999
365.105011 89.886002
END IONS
BEGIN IONS
SCANS=603
PEPMASS=401.15799
CHARGE=1
COLLISION_ENERGY=0.0
81.07 105.700996
93.07 99.561996
95.084999 133.845993
105.069 106.904999
107.084999 122.428001
159.115997 30.658001
173.496002 682.211975
219.061996 76.994003
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256.882996 25.764
276.678986 22.813999
282.980988 33.597
308.606995 25.256001
365.247009 30.941999
END IONS
BEGIN IONS
SCANS=604
PEPMASS=401.19601
CHARGE=1
COLLISION_ENERGY=0.0
77.038002 38.437
91.054001 128.804001
93.07 223.160004
95.049004 88.939003
147.080002 139.960999
171.115997 39.377998
189.126999 60.433998
199.110992 45.299
217.121994 76.297997
235.132004 54.952
245.117004 31.889999
263.127014 36.237999
299.959991 1.885
358.621002 2.032
364.859009 1.951
END IONS
BEGIN IONS
SCANS=605
PEPMASS=401.26901
CHARGE=1
COLLISION_ENERGY=0.0
81.07 523.445984
93.07 498.083008
95.084999 620.210999
105.07 467.210999
107.084999 399.940002
119.084999 387.515991
159.115997 117.635002
173.5 28.719
201.162994 12.001
213.162994 40.735001
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274.11499 8.647
279.195007 6.496
292.126007 12.102
307.20401 35.713001
325.214996 19.986
337.252991 67.212997
347.235992 42.599998
355.263 32.112
365.247009 265.391998
END IONS
BEGIN IONS
SCANS=606
PEPMASS=401.26901
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 31.556999
81.069 55.462002
93.07 56.979
107.084999 61.847
119.084999 61.929001
135.115997 59.632
145.100998 84.101997
159.115997 64.343002
173.132004 39.151001
173.494995 73.676003
185.132004 30.768999
217.121994 27.086
245.153 21.587999
255.210007 70.168999
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273.18399 19.423
291.15799 42.224998
305.174011 13.969
319.188995 13.298
331.190002 11.864
355.263 94.346001
END IONS
BEGIN IONS
SCANS=607
PEPMASS=401.29001
CHARGE=1
COLLISION_ENERGY=0.0
57.07 747.06897
71.084999 419.416992
81.061996 413.263
85.046997 554.713989
95.084999 563.888
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169.600006 7.177
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221.225998 26.783001
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257.247009 8.86
321.864014 7.699
336.845001 8.772
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341.576996 8.157
349.131012 14.833
END IONS
BEGIN IONS
SCANS=608
PEPMASS=402.30099
CHARGE=1
COLLISION_ENERGY=0.0
55.054001 6.745
57.033001 64.736
70.065002 41.602001
81.069 39.877998
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127.074997 648.627991
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230.188004 4.388
248.235992 18.183001
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276.231995 542.702026
288.230988 110.664001
298.859985 6.199
END IONS
BEGIN IONS
SCANS=609
PEPMASS=403.14999
CHARGE=1
COLLISION_ENERGY=0.0
55.054001 80.080002
81.07 115.983002
95.051003 105.987999
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167.033005 848.539978
173.498001 122.074997
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189.054001 9.244
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195.028 322.649994
227.106003 9.028
230.576996 7.095
273.110992 3.982
283.683014 6.799
291.122009 31.379
END IONS
BEGIN IONS
SCANS=610
PEPMASS=403.285
CHARGE=1
COLLISION_ENERGY=0.0
81.069 625.122009
93.069 463.032013
95.084999 749.781006
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119.084999 212.449005
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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93.07 129.625
95.084999 165.744003
107.084999 130.261002
133.100998 121.310997
135.115997 111.481003
161.132004 65.098999
339.268005 67.468002
357.278015 53.473
END IONS
BEGIN IONS
SCANS=612
PEPMASS=403.285
CHARGE=1
COLLISION_ENERGY=0.0
55.054001 25.208
57.07 21.721001
69.07 202.716995
81.07 33.063
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119.084999 36.48
148.729996 72.379997
163.074997 29.973
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215.141998 49.924999
233.154007 337.722992
END IONS
BEGIN IONS
SCANS=613
PEPMASS=404.31699
CHARGE=1
COLLISION_ENERGY=0.0
57.033001 23.745001
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63.949001 7.803
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306.278992 80.962997
END IONS
BEGIN IONS
SCANS=614
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CHARGE=1
COLLISION_ENERGY=0.0
67.092003 18.870001
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70.18 20.323
75.003998 15.916
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306.005005 193.996002
341.325989 16.395
END IONS
BEGIN IONS
SCANS=615
PEPMASS=405.09799
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 31.377001
67.677002 19.416
69.07 19.594
83.012001 116.767998
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193.085007 64.358002
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247.132004 267.962006
265.143005 8.896
269.114014 71.089996
313.104004 1432.60498
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333.306 8.652
347.14801 18.113001
END IONS
BEGIN IONS
SCANS=616
PEPMASS=405.19101
CHARGE=1
COLLISION_ENERGY=0.0
56.025002 22.542
67.054001 45.647999
81.07 25.162001
83.012001 37.723999
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107.084999 27.313
141.054001 939.979004
148.731003 88.873001
167.033005 30.26
173.494995 134.255997
175.074005 34.576
217.121994 245.067993
235.132004 59.985001
247.132004 198.25
265.141998 3.068
291.122009 2.72
327.712006 1.724
END IONS
BEGIN IONS
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PEPMASS=406.18701
CHARGE=1
COLLISION_ENERGY=0.0
55.337002 6.919
56.785999 7.907
69.069 29.914
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340.153992 271.977997
370.164001 31.393999
END IONS
BEGIN IONS
SCANS=618
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CHARGE=1
COLLISION_ENERGY=0.0
55.933998 65.306999
57.033001 5.413
79.054001 37.902
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139.990997 40.988998
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173.496002 74.567001
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235.975998 103.921997
237.992004 193.201996
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316.039001 76.408997
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334.049988 82.342003
337.036987 24.114
END IONS
BEGIN IONS
SCANS=619
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CHARGE=1
COLLISION_ENERGY=0.0
57.07 22.112
69.07 103.690002
81.07 33.91
83.084999 13.883
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171.080002 20.788
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283.096008 87.472
298.119995 76.847
309.112 98.251999
313.143005 96.940002
END IONS
BEGIN IONS
SCANS=620
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CHARGE=1
COLLISION_ENERGY=0.0
55.054001 6.493
69.07 12.622
81.07 61.823002
93.07 78.507004
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211.147995 72.289001
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307.204987 34.344002
321.256989 355.411987
331.242004 17.756001
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349.252014 1424.904053
END IONS
BEGIN IONS
SCANS=621
PEPMASS=409.311
CHARGE=1
COLLISION_ENERGY=0.0
57.07 109.579002
69.07 1060.777954
71.050003 2183.124023
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83.084999 262.238007
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171.115997 98.336998
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321.221008 79.964996
333.902008 3.346
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374.101013 0.775
389.32901 1.27
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
58.210999 4.542
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82.112 5.349
96.822998 5.06
111.112999 5.976
116.167 6.484
148.050995 7.112
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173.498993 39.126999
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346.164001 270.414001
END IONS
BEGIN IONS
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COLLISION_ENERGY=0.0
67.054001 33.179001
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86.059998 79.294998
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
54.924 8.462
69.07 33.641998
91.054001 1052.135986
103.054001 46.263
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173.496994 78.568001
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END IONS
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CHARGE=1
COLLISION_ENERGY=0.0
55.054001 35.02
81.069 273.821014
93.069 355.859985
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352.261993 10.352
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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123.043999 2859.684082
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
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COLLISION_ENERGY=0.0
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END IONS
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COLLISION_ENERGY=0.0
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END IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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81.069 65.041
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END IONS
BEGIN IONS
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255.100998 15.309
273.110992 97.737
END IONS
BEGIN IONS
SCANS=634
PEPMASS=412.24899
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 29.454
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81.069 32.32
95.084999 19.450001
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246.220993 15.384
256.204987 28.209
264.242004 10.919
274.216003 213.307999
286.216003 42.787998
END IONS
BEGIN IONS
SCANS=635
PEPMASS=413.12701
CHARGE=1
COLLISION_ENERGY=0.0
58.994999 56.063
67.054001 87.142998
79.054001 78.265999
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323.095001 1.14
349.110992 0.221
353.105011 0.898
359.141998 0.843
367.121002 2.571
END IONS
BEGIN IONS
SCANS=636
PEPMASS=413.20801
CHARGE=1
COLLISION_ENERGY=0.0
69.07 2.039
79.054001 5.427
124.074997 22.014999
134.059998 242.320007
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152.070007 290.471008
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262.143005 99.262001
274.143005 12.333
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344.135986 19.461
345.144012 8.793
END IONS
BEGIN IONS
SCANS=637
PEPMASS=414.22501
CHARGE=2
COLLISION_ENERGY=0.0
83.059998 19.992001
86.096001 59.566002
94.667 11.262
110.070999 285.126007
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253.091995 24.662001
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348.196991 25.943001
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470.234009 28.722
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696.036987 11.614
END IONS
BEGIN IONS
SCANS=638
PEPMASS=414.26501
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 25.582001
70.065002 92.850998
95.084999 39.740002
112.074997 41.798
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276.230988 659.750977
288.230988 142.091003
312.231995 25.518999
384.955994 2.857
385.36499 3.411
END IONS
BEGIN IONS
SCANS=639
PEPMASS=415.21201
CHARGE=1
COLLISION_ENERGY=0.0
56.738998 7.254
56.985001 3.122
69.032997 13.573
91.054001 295.440002
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119.084999 5088.50293
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282.125 4.901
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315.15799 5.447
331.451996 1.76
END IONS
BEGIN IONS
SCANS=640
PEPMASS=415.21201
CHARGE=1
COLLISION_ENERGY=0.0
55.054001 14.725
57.033001 10.174
73.065002 16.766001
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379.190002 2.122
END IONS
BEGIN IONS
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PEPMASS=416.17099
CHARGE=1
COLLISION_ENERGY=0.0
79.017998 9.732
82.065002 39.535999
91.054001 26.662001
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370.164001 20.997999
END IONS
BEGIN IONS
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PEPMASS=416.28
CHARGE=1
COLLISION_ENERGY=0.0
70.065002 38.164001
85.028 19.878
124.074997 144.806
136.074997 65.011002
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278.247009 1060.498047
290.247986 176.514008
314.247009 47.370998
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
67.054001 8.755
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81.07 45.917
85.028 86.714996
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355.187012 4.296
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
55.054001 30.337999
81.051003 218.192993
95.084999 16.474001
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195.028 123.519997
205.048996 8.586
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299.54599 4.854
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310.354004 5.305
END IONS
BEGIN IONS
SCANS=645
PEPMASS=417.16599
CHARGE=1
COLLISION_ENERGY=0.0
54.436001 6.385
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82.028 11.402
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314.138 569.822998
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END IONS
BEGIN IONS
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CHARGE=0
COLLISION_ENERGY=0.0
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82.028999 4.44
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314.138 170.276993
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371.160004 110.422997
END IONS
BEGIN IONS
SCANS=647
PEPMASS=417.189
CHARGE=1
COLLISION_ENERGY=0.0
59.07 23.572001
68.211998 25.91
71.554001 26.423
148.731995 198.800995
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END IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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141.054001 721.552002
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END IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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213.126999 276.334991
231.136993 85.188004
269.210999 7.015
293.190002 11.262
307.204987 29.454
321.256989 150.878998
339.268005 61.599998
349.252014 1053.640015
367.263 1497.390015
END IONS
BEGIN IONS
SCANS=673
PEPMASS=427.32101
CHARGE=1
COLLISION_ENERGY=0.0
55.054001 81.978996
67.054001 49.970001
69.07 63.235001
95.084999 161.330002
97.100998 167.423996
123.080002 35.853001
173.496002 53.237
189.162994 61.511002
193.158005 115.800003
217.158005 192.839996
254.533997 7.964
260.303009 8.857
END IONS
BEGIN IONS
SCANS=674
PEPMASS=427.32101
CHARGE=1
COLLISION_ENERGY=0.0
57.07 159.432999
69.07 353.342987
71.051003 1593.032959
95.084999 151.651001
107.084999 144.328003
123.115997 161.376007
129.054001 77.918999
173.095001 52.123001
173.496002 506.641998
191.106003 66.626999
213.126999 7.595
269.210999 72.114998
271.169006 60.311001
283.169006 28.052999
285.18399 44.632
287.200012 38.049999
339.230988 57.685001
362.019012 10.05
367.263 14.12
381.334991 17.544001
383.061005 9.821
END IONS
BEGIN IONS
SCANS=675
PEPMASS=428.138
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 4.484
81.07 10.234
95.084999 18.6
101.004997 26.839001
123.043999 371.417999
167.033005 23.433001
169.048996 219.542999
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197.063004 39.867001
215.072998 39.562
243.067993 147.850006
245.117004 4.493
249.020996 3.063
273.110992 3.622
313.381012 2.295
338.669006 2.443
347.095001 6.335
365.105011 15.509
376.497986 2.321
383.115997 3.96
END IONS
BEGIN IONS
SCANS=676
PEPMASS=428.31601
CHARGE=1
COLLISION_ENERGY=0.0
55.054001 18.650999
81.069 78.542
93.069 56.902
95.084999 44.167999
105.069 50.675999
107.084999 57.970001
173.496002 264.265991
187.110992 28.563
213.126999 21.535
215.141998 39.384998
223.753006 12.877
279.872986 12.902
282.118988 14.181
301.214996 23.212
351.268005 66.226997
355.093994 14.094
369.278015 140.602005
370.907013 12.167
END IONS
BEGIN IONS
SCANS=677
PEPMASS=429.12201
CHARGE=1
COLLISION_ENERGY=0.0
55.054001 48.456001
67.054001 114.092003
81.060997 372.005005
95.084999 526.843994
96.087997 26.847
123.067001 631.549011
167.033005 659.205017
173.498993 112.401001
177.054001 117.836998
193.048996 325.087006
195.028 242.397003
245.115997 40.705002
255.100998 2.949
273.110992 153.362
274.11499 21.93
291.122009 517.507019
END IONS
BEGIN IONS
SCANS=678
PEPMASS=429.29999
CHARGE=1
COLLISION_ENERGY=0.0
55.018002 22.862
69.069 18.094
79.054001 22.474001
81.069 314.739014
95.084999 28.538
119.084999 23.323
159.115997 13.849
161.132004 21.129999
163.074997 17.216999
173.496994 153.511993
179.141998 50.075001
215.141998 26.631001
233.153 253.281006
250.740997 6.974
259.205994 6.963
268.126007 6.81
298.588989 6.861
311.239014 6.667
END IONS
BEGIN IONS
SCANS=679
PEPMASS=429.33701
CHARGE=1
COLLISION_ENERGY=0.0
57.07 98.820999
69.069 594.273987
81.069 124.809998
83.084999 171.891998
133.100998 103.688004
145.100006 102.091003
159.115997 72.237
173.496994 67.974998
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217.158005 54.632999
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283.240997 67.473999
287.200012 38.485001
315.230988 34.837002
365.320007 49.772999
383.329987 50.578999
385.30899 7.093
393.315002 114.500999
END IONS
BEGIN IONS
SCANS=680
PEPMASS=429.37299
CHARGE=1
COLLISION_ENERGY=0.0
57.07 125.160004
58.723999 27.535999
67.672997 29.146999
69.283997 27.379
81.07 22.532
137.095001 32.403999
149.095993 127.349998
163.110992 175.166
165.089996 914.835999
173.498001 1066.109985
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205.121994 27.601999
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269.166992 18.659
302.354004 31.813
305.313995 32.786999
317.247009 24.806
333.984009 31.629999
335.72699 26.747
383.378998 35.765999
END IONS
BEGIN IONS
SCANS=681
PEPMASS=430.15399
CHARGE=1
COLLISION_ENERGY=0.0
58.994999 13.41
67.054001 38.310001
79.054001 79.800003
81.07 385.82901
95.084999 308.308014
99.080002 117.579002
123.063004 851.664001
167.033005 403.11499
169.048996 395.145996
193.048996 102.912003
195.028 92.023003
203.072998 107.532997
245.084 712.325989
273.112 74.987999
291.122009 266.346985
323.093994 5.206
349.109985 0.267
353.105011 0.402
367.121002 9.063
374.868988 0.488
385.131989 0.9
END IONS
BEGIN IONS
SCANS=682
PEPMASS=430.754
CHARGE=2
COLLISION_ENERGY=0.0
86.096001 84.697998
101.070999 8.337
112.085999 12.98
115.085999 16.915001
120.080002 83.865997
173.496994 74.190002
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261.158997 20.243999
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389.248993 11.002
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486.265991 6.357
502.334991 14.349
503.291992 62.532001
504.295013 6.979
514.544006 3.842
599.348999 15.381
616.372009 125.235001
617.379028 13.476
649.401001 7.977
763.442993 46.837002
764.445007 8.023
765.25 4.667
END IONS
BEGIN IONS
SCANS=683
PEPMASS=431.06699
CHARGE=1
COLLISION_ENERGY=0.0
55.054001 11.807
55.933998 16.254
70.065002 14.304
79.054001 11.31
81.069 143.309006
99.080002 43.962002
136.623001 11.113
159.009995 12.978
173.498001 112.705002
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234.968994 33.195
235.975998 23.924
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291.966003 101.689003
309.976013 56.757999
334.013 27.125999
344.033997 54.950001
390.053009 92.786003
END IONS
BEGIN IONS
SCANS=684
PEPMASS=431.18201
CHARGE=1
COLLISION_ENERGY=0.0
61.229 4.103
66.266998 4.282
66.471001 3.906
70.065002 7.271
96.043999 22.664
107.175003 4.466
124.039001 10.435
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173.498001 82.089996
194.080994 60.216999
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314.139008 138.740005
315.169006 6.546
357.179993 32.980999
385.174988 202.197998
END IONS
BEGIN IONS
SCANS=685
PEPMASS=432.10001
CHARGE=0
COLLISION_ENERGY=0.0
67.054001 38.867001
79.054001 47.709
81.07 199.393997
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195.028 65.280998
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303.089996 65.852997
321.101013 66.486
347.079987 80.649002
357.083008 4.117
365.089996 50.164001
END IONS
BEGIN IONS
SCANS=686
PEPMASS=432.146
CHARGE=1
COLLISION_ENERGY=0.0
60.438 14.162
76.739998 19.737
81.114998 43.341999
95.085999 27.657
106.085999 40.577
110.807999 21.231001
142.029007 157.841995
173.496002 300.024994
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196.324005 19.951
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264.10199 100.838997
269.114014 217.188995
282.112 25.509001
313.104004 769.330994
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377.634003 9.761
END IONS
BEGIN IONS
SCANS=687
PEPMASS=432.17899
CHARGE=1
COLLISION_ENERGY=0.0
73.092003 43.143002
80.093002 42.875999
81.938004 44.625999
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262.735992 49.452
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320.440002 44.926998
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END IONS
BEGIN IONS
SCANS=688
PEPMASS=432.17899
CHARGE=1
COLLISION_ENERGY=0.0
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72.480003 24.860001
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363.105988 89.997002
END IONS
BEGIN IONS
SCANS=689
PEPMASS=432.60199
CHARGE=0
COLLISION_ENERGY=0.0
67.054001 18.127001
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81.07 97.608002
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365.091003 17.806999
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END IONS
BEGIN IONS
SCANS=690
PEPMASS=433.09299
CHARGE=1
COLLISION_ENERGY=0.0
66.259003 11.902
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92.367996 12.991
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223.813004 12.696
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305.122986 23.191
312.122009 23.985001
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361.108002 42.646999
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END IONS
BEGIN IONS
SCANS=691
PEPMASS=433.09399
CHARGE=1
COLLISION_ENERGY=0.0
69.053001 19.091
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105.07 47.702999
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271.024994 26.707001
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385.071014 30.561001
397.071014 49.457001
END IONS
BEGIN IONS
SCANS=692
PEPMASS=433.18399
CHARGE=1
COLLISION_ENERGY=0.0
59.015999 3.699
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76.502998 13.755
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329.13501 50.387001
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371.183014 1582.991943
389.179993 6.273
END IONS
BEGIN IONS
SCANS=693
PEPMASS=433.186
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 39.209999
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91.054001 79.158997
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147.080002 297.5
153.054001 174.417999
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235.132004 148.216003
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299.285004 2.977
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364.205994 3.132
370.643005 3.242
371.183014 31.726999
END IONS
BEGIN IONS
SCANS=694
PEPMASS=433.23401
CHARGE=1
COLLISION_ENERGY=0.0
65.007004 3.999
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71.741997 5.11
107.084999 6.027
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173.5 67.664001
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344.186005 5.331
366.924011 4.494
371.179993 4.381
END IONS
BEGIN IONS
SCANS=695
PEPMASS=433.23801
CHARGE=1
COLLISION_ENERGY=0.0
59.644001 18.566
65.582001 17.655001
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203.106003 88.772003
215.106003 98.884003
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229.121994 47.202
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271.169006 25.045
288.213013 17.966
307.112 43.868999
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377.174011 38.708
END IONS
BEGIN IONS
SCANS=696
PEPMASS=433.67499
CHARGE=2
COLLISION_ENERGY=0.0
109.117996 23.069
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173.498001 274.183014
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371.18399 34.215
401.092987 33.271999
463.09201 104.091003
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END IONS
BEGIN IONS
SCANS=697
PEPMASS=435.10901
CHARGE=1
COLLISION_ENERGY=0.0
68.778999 6.961
81.07 59.844002
95.084999 73.714996
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383.673004 6.103
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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118.427002 24.955999
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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END IONS
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END IONS
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END IONS
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END IONS
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COLLISION_ENERGY=0.0
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END IONS
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COLLISION_ENERGY=0.0
69.069 27.966
71.049004 89.296997
81.07 33.622002
83.084999 32.907001
111.080002 71.469002
145.100998 44.900002
171.080002 106.461998
173.095993 225.264999
173.5 49.638
187.110992 53.923
211.110992 25.399
265.158997 24.855
267.173004 21.134001
293.188995 51.23
295.204987 18.955
317.190002 14.669
405.278015 29.238001
END IONS
BEGIN IONS
SCANS=710
PEPMASS=442.31699
CHARGE=1
COLLISION_ENERGY=0.0
57.07 27.049
71.084999 25.445999
84.043999 361.085999
85.028 49.205002
95.084999 35.175999
126.054001 167.798996
148.733994 92.849998
173.496994 85.825996
186.076004 64.209
204.085999 59.202999
239.237 19.400999
295.498993 12.751
END IONS
BEGIN IONS
SCANS=711
PEPMASS=442.771
CHARGE=2
COLLISION_ENERGY=0.0
79.054001 27.584999
81.069 64.744003
93.069 57.948002
95.084999 58.328999
107.084999 42.096001
109.100998 29.761
165.089996 137.834
173.496002 230.350006
193.048996 22.639999
217.121994 19.069
225.042999 24.919001
230.278 18.601
254.197998 20.750999
291.122009 24.943001
296.153015 19.952
369.281006 20.933001
373.074005 34.176998
390.251007 23.596001
413.252014 22.676001
459.006012 19.99
598.995972 18.895
610.111023 21.042999
668.218994 20.642
END IONS
BEGIN IONS
SCANS=712
PEPMASS=443.20499
CHARGE=2
COLLISION_ENERGY=0.0
57.07 28.774
59.049 59.743
79.054001 53.236
85.064003 90.647003
91.054001 54.915001
107.084999 58.466999
135.080002 332.712006
151.074997 68.119003
165.091003 1045.041016
173.498993 150.283005
181.085007 511.401001
193.059006 60.698002
249.147995 76.341003
251.093002 40.549
255.074005 171.565994
260.097992 43.622002
277.106995 87.630997
313.143005 76.028
315.15799 69.294998
321.100006 186.660004
339.110992 113.142998
341.138 122.487
395.186005 53.792999
397.200012 41.894001
413.196014 34.264999
415.210999 4.597
417.119995 1.715
425.195007 23.797001
499.162994 6.236
501.177002 16.572001
585.234985 1.848
END IONS
BEGIN IONS
SCANS=713
PEPMASS=443.28
CHARGE=1
COLLISION_ENERGY=0.0
81.07 72.583
83.049004 111.010002
95.084999 54.731998
107.084999 55.832001
109.064003 50.719002
165.126999 45.687
173.496002 235.552002
181.085007 112.925003
231.136993 37.817001
243.563004 19.233999
267.173004 22.747
293.29599 20.254
304.537994 17.726
365.247009 42.575001
383.257996 48.139
END IONS
BEGIN IONS
SCANS=714
PEPMASS=443.28
CHARGE=1
COLLISION_ENERGY=0.0
81.069 83.476997
95.084999 96.747002
105.069 86.142998
119.084999 70.561996
123.080002 118.987999
133.100998 80.421997
173.492996 37.804001
177.089996 39.354
213.162994 25.084
271.169006 14.567
281.734009 8.723
287.200012 23.995001
337.252991 22.541
347.235992 23.193001
355.264008 13.12
365.247009 113.746002
375.212006 12.967
383.257996 128.567993
END IONS
BEGIN IONS
SCANS=715
PEPMASS=443.31601
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 163.179001
69.07 267.502991
81.069 168.423996
95.084999 431.509003
97.100998 350.041992
109.100998 201.848999
173.496994 452.619995
175.123001 174.960999
193.158005 416.266998
215.141998 65.208
233.153 526.346985
256.975006 11.002
290.328003 8.851
301.782013 8.67
315.222992 297.195007
320.692993 11.731
328.820007 8.528
335.571991 11.514
397.30899 14.472
415.105988 9.481
END IONS
BEGIN IONS
SCANS=716
PEPMASS=443.31601
CHARGE=1
COLLISION_ENERGY=0.0
58.671001 23.643
67.054001 24.184
70.388 22.433001
76.136002 24.472
84.351997 23.822001
151.074997 88.805
165.089996 64.688004
173.496002 403.924988
189.089996 153.307007
201.091003 77.518997
246.244995 22.138
259.166992 24.451
274.270996 23.836
END IONS
BEGIN IONS
SCANS=717
PEPMASS=443.31601
CHARGE=1
COLLISION_ENERGY=0.0
69.069 17.693001
71.049004 47.652
83.084999 26.753
97.064003 44.956001
111.080002 26.948999
173.095001 56.713001
173.496994 85.066002
181.100006 28.076
195.115997 37.242001
197.132004 30.031
251.179001 47.738998
267.173004 34.174
269.188995 46.43
280.181 37.655998
295.204987 97.896004
337.214996 15.646
355.227997 261.990997
373.071991 19.125
407.295013 11.031
END IONS
BEGIN IONS
SCANS=718
PEPMASS=443.33499
CHARGE=1
COLLISION_ENERGY=0.0
58.122002 42.980999
63.603001 44.583
91.085999 56.188999
97.036003 70.386002
148.731003 337.723999
173.496002 285.19101
217.158005 104.288002
261.128998 58.658001
END IONS
BEGIN IONS
SCANS=719
PEPMASS=445.147
CHARGE=1
COLLISION_ENERGY=0.0
59.939999 15.834
68.644997 19.257
112.391998 19.285999
153.054001 19.851
158.457993 17.642
173.498001 168.100006
187.852997 17.83
215.421005 17.796
218.975006 20.636999
312.093994 18.254
313.105011 611.314026
318.432007 18.143
359.519012 17.254
407.902008 18.802
END IONS
BEGIN IONS
SCANS=720
PEPMASS=445.18399
CHARGE=1
COLLISION_ENERGY=0.0
57.205002 74.439003
59.207001 55.945
69.219002 56.034
75.075996 24.635
81.274002 47.594002
148.731995 591.580017
163.035995 282.571991
165.707993 54.119999
173.498001 631.986023
199.259003 54.783001
234.436005 22.503
264.557007 73.049004
285.721008 30.761
END IONS
BEGIN IONS
SCANS=721
PEPMASS=445.224
CHARGE=1
COLLISION_ENERGY=0.0
70.072998 16.434
72.917999 19.023001
74.375 19.059999
80.400002 17.007999
102.827003 21.117001
148.729996 83.401001
165.089996 56.945
173.501007 70.599998
179.070007 36.488998
181.085007 42.743999
252.113998 24.344999
253.121002 25.492001
280.109009 38.327999
281.115997 25.232
295.132996 59.737999
313.141998 64.782997
325.143005 240.281998
384.104004 15.841
397.200012 21.322001
409.200989 101.818001
END IONS
BEGIN IONS
SCANS=722
PEPMASS=445.29501
CHARGE=1
COLLISION_ENERGY=0.0
81.07 80.845001
93.07 61.847
95.084999 90.893997
105.07 58.438
107.084999 65.346001
121.100998 69.624001
173.5 46.900002
201.162994 22.297001
213.126999 18.474001
215.179001 17.886999
271.169006 10.63
289.179993 8.168
321.256012 12.441
339.268005 17.767
349.252014 68.121002
350.256012 51.853001
367.263 114.508003
368.266998 41.801998
385.273987 123.709999
427.283997 18.448
END IONS
BEGIN IONS
SCANS=723
PEPMASS=445.332
CHARGE=1
COLLISION_ENERGY=0.0
105.757004 22.077999
112.778 23.900999
135.080002 25.702
151.074997 62.370998
173.496002 238.304001
177.089996 355.334015
189.089996 48.241001
191.106003 62.272999
265.834015 23.882999
301.178986 28.061001
303.231995 31.884001
321.399994 23.83
333.205994 30.098
420.329987 24.041
END IONS
BEGIN IONS
SCANS=724
PEPMASS=446.19299
CHARGE=1
COLLISION_ENERGY=0.0
56.832001 14.99
81.069 35.848
93.044998 15.078
95.084999 21.08
110.070999 220.794006
111.042999 18.535999
156.076004 105.535004
167.033005 254.386002
173.496994 194.778
195.028 63.803001
216.514999 16.261999
246.397003 11.128
275.377991 14.082
305.371002 13.699
END IONS
BEGIN IONS
SCANS=725
PEPMASS=446.21799
CHARGE=0
COLLISION_ENERGY=0.0
62.060001 14.91
83.012001 78.051003
90.869003 14.399
121.585999 15.516
141.054001 36.910999
167.070007 21.719999
172.087006 30.621
173.496994 102.978996
217.121994 113.050003
226.804001 18.311001
235.132996 19.02
247.132996 21.249001
287.162994 60.862
288.158997 39.639
306.169006 17.756001
317.138 53.337002
361.161011 27.761999
362.165009 130.649002
375.178986 29.886999
387.179993 125.811996
END IONS
BEGIN IONS
SCANS=726
PEPMASS=446.23901
CHARGE=1
COLLISION_ENERGY=0.0
69.032997 25.59
85.028 30.417
109.064003 30.98
121.064003 34.587002
135.080002 166.578995
151.074997 199.526001
153.089996 92.596001
165.089996 323.309998
181.085007 965.570007
231.128998 6.623
233.153 25.474001
249.147995 0.727
277.056 2.65
278.058014 2.103
307.117004 1.786
323.095001 1.013
324.097992 3.351
325.128998 1.605
END IONS
BEGIN IONS
SCANS=727
PEPMASS=447.16599
CHARGE=2
COLLISION_ENERGY=0.0
79.054001 10.314
81.059998 42.888
95.084999 99.672997
123.068001 98.740997
167.033005 33.701
169.048996 21.790001
177.054001 20.610001
193.048996 56.134998
195.028 25.190001
205.048996 16.271
273.110992 29.954
287.112 13.909
291.122009 129.421997
303.106995 11.099
305.122986 36.154999
331.10199 12.72
349.113007 7.876
393.153992 6.296
409.184998 4.684
411.164001 15.695
481.132996 6.479
515.22699 18.285
516.229004 4.751
533.237 4.872
559.216003 14.391
603.205994 112.661003
604.208008 26.018999
621.216003 87.744003
622.218994 22.531
END IONS
BEGIN IONS
SCANS=728
PEPMASS=447.177
CHARGE=1
COLLISION_ENERGY=0.0
81.07 47.907001
82.052002 13.632
83.059998 23.591999
95.084999 14.894
111.055 223.927994
157.059998 164.307007
167.033005 346.326996
173.494003 14.74
189.054001 12.894
195.028 115.938004
227.106003 8.514
250.867004 2.563
265.27301 2.398
273.110992 5.737
279.438995 2.628
END IONS
BEGIN IONS
SCANS=729
PEPMASS=447.25
CHARGE=1
COLLISION_ENERGY=0.0
60.769001 6.981
69.07 12.2
88.929001 7.093
94.860001 7.162
123.356003 7.261
151.074997 15.166
173.498993 77.149002
179.070007 15.082
192.065002 18.795
205.072998 14.107
220.095993 340.681
262.143005 26.176001
285.022003 7.395
288.158997 298.181
316.153992 99.693001
330.204987 21.591
357.007996 6.958
358.200989 11.33
END IONS
BEGIN IONS
SCANS=730
PEPMASS=447.28799
CHARGE=1
COLLISION_ENERGY=0.0
58.363998 36.730999
81.813004 36.125
93.941002 44.757
126.572998 39.136002
148.731995 82.119003
160.820007 42.216
165.817993 42.631001
173.5 206.153
187.035995 429.446991
209.175003 40.685001
END IONS
BEGIN IONS
SCANS=731
PEPMASS=448.14099
CHARGE=1
COLLISION_ENERGY=0.0
61.560001 3.925
81.073997 3.606
85.388 3.354
152.056 24.684999
162.054993 14.228
173.501007 20.627001
174.054993 35.978001
192.065002 160.647003
236.091003 436.644012
258.072998 14.625
304.153992 161.149994
326.135986 120.528999
END IONS
BEGIN IONS
SCANS=732
PEPMASS=448.18701
CHARGE=2
COLLISION_ENERGY=0.0
81.07 14.586
98.974998 125.400002
151.054993 190.998993
153.091003 26.198
165.089996 63.417999
181.085007 585.184021
182.089005 35.549
219.080994 35.660999
245.117004 12.228
273.101013 44.070999
279.053009 12.079
290.091003 11.643
297.063995 40.040001
309.063995 21.469
347.115997 29.028
362.112 127.608002
365.127014 23.785
396.143005 48.729
405.148987 25.302999
431.169006 48.942001
467.15799 35.360001
468.160004 3.615
485.169006 68.647003
503.184998 3.185
527.179016 114.761002
528.18103 8.602
644.276001 1.189
647.237 8.205
723.21698 21.992001
791.278992 16.554001
END IONS
BEGIN IONS
SCANS=733
PEPMASS=449.08801
CHARGE=1
COLLISION_ENERGY=0.0
61.855999 13.849
83.132004 10.339
95.084999 11.787
104.870003 17.601
112.851997 11.14
167.033997 14.352
168.115997 11.316
173.496994 285.403992
177.416 10.582
206.022003 12.425
248.964005 10.9
256.239014 9.669
280.02301 10.563
287.59201 10.705
313.104004 1410.219971
331.113007 17.198
359.503998 12.379
383.109985 40.067001
END IONS
BEGIN IONS
SCANS=734
PEPMASS=449.08801
CHARGE=1
COLLISION_ENERGY=0.0
64.572998 28.554001
71.039001 70.615997
71.543999 27.686001
124.663002 29.313999
143.606995 28.191
162.367004 35.888
173.496994 272.841003
206.595001 29.120001
313.104004 477.790009
END IONS
BEGIN IONS
SCANS=735
PEPMASS=449.17899
CHARGE=1
COLLISION_ENERGY=0.0
60.962002 20.636
61.624001 12.827
69.07 15.383
95.032997 41.202999
113.021004 22.966999
121.064003 18.417999
123.080002 21.826
173.496002 454.558014
179.070007 327.394989
185.042007 120.068001
217.046997 267.618011
236.091003 32.971001
237.095001 30.792999
238.151993 20.693001
287.125 32.208
290.138 18.077
304.296997 4.386
305.156006 18.669001
321.096008 4.131
369.653015 3.37
380.108002 123.274002
381.115997 335.031006
END IONS
BEGIN IONS
SCANS=736
PEPMASS=449.20801
CHARGE=1
COLLISION_ENERGY=0.0
58.278 2.474
64.504997 1.856
69.07 2.339
118.065002 32.716999
130.065002 396.497009
143.072006 95.322998
144.080002 201.552994
146.059006 60.926998
188.070007 116.220001
194.080002 58.354
206.080002 71.472
250.070007 3.139
262.143005 30.444
274.143005 23.655001
319.106995 32.757999
320.148987 30.285999
333.122986 89.721001
334.131012 75.688004
335.139008 194.100998
381.144012 15.891
403.200989 442.582001
END IONS
BEGIN IONS
SCANS=737
PEPMASS=450.09799
CHARGE=1
COLLISION_ENERGY=0.0
56.612 10.994
63.75 10.66
71.241997 10.768
91.054001 13.526
92.775002 10.842
105.07 14.333
134.072006 15.62
135.080002 16.882999
173.496994 148.817001
224.011993 54.27
236.011993 71.047997
251.0 69.639
252.007004 95.307999
254.022995 100.263
270.018005 42.796001
372.06601 19.191
384.06601 18.761999
399.052002 38.200001
402.074005 19.759001
414.075989 218.320999
END IONS
BEGIN IONS
SCANS=738
PEPMASS=451.08301
CHARGE=0
COLLISION_ENERGY=0.0
73.296997 13.605
93.069 30.295
121.064003 25.663
148.729996 64.054001
149.059006 29.593
173.498001 99.329002
179.070007 38.373001
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233.011002 33.337002
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266.48999 15.26
285.079987 38.203999
303.089996 47.299999
321.100006 86.842003
347.079987 47.34
365.089996 44.787998
396.975006 16.698
401.216003 22.959
END IONS
BEGIN IONS
SCANS=739
PEPMASS=451.104
CHARGE=1
COLLISION_ENERGY=0.0
59.620998 7.637
88.536003 7.305
95.469002 7.334
122.267998 8.803
148.731003 65.918999
160.987 18.558001
173.498993 46.5
263.709015 7.667
313.104004 830.276001
END IONS
BEGIN IONS
SCANS=740
PEPMASS=451.104
CHARGE=1
COLLISION_ENERGY=0.0
62.328999 10.471
70.412003 9.242
74.941002 8.324
77.721001 9.049
85.192001 8.475
90.478996 9.197
140.235001 9.489
148.733002 145.171997
160.987 13.875
173.494995 152.761002
202.673996 11.521
214.544998 8.587
224.828003 8.2
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283.087006 9.683
313.104004 1333.746948
331.115997 9.477
335.906006 9.662
363.087006 149.901001
380.165009 9.428
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394.234985 13.632
END IONS
BEGIN IONS
SCANS=741
PEPMASS=451.19501
CHARGE=1
COLLISION_ENERGY=0.0
56.015999 8.453
58.118999 6.006
68.806 6.515
109.065002 49.173
121.064003 101.261002
123.080002 81.082001
135.080002 64.220001
151.074997 98.249001
173.496002 208.401001
181.085007 626.547974
201.035995 198.826996
202.059006 66.813004
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269.315002 5.496
271.130005 23.063999
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289.140015 116.442001
336.117004 17.247999
365.119995 124.474998
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382.122986 698.869995
END IONS
BEGIN IONS
SCANS=742
PEPMASS=451.20999
CHARGE=1
COLLISION_ENERGY=0.0
62.373001 40.647999
66.106003 30.0
66.370003 75.439003
68.802002 28.621
84.157997 31.145
116.630997 32.183998
135.080002 179.871994
148.731995 491.108002
165.089996 91.531998
173.494003 337.285004
187.072006 192.710007
205.082993 267.848999
287.122986 39.229
382.136993 100.431999
END IONS
BEGIN IONS
SCANS=743
PEPMASS=451.24799
CHARGE=1
COLLISION_ENERGY=0.0
79.054001 6.167
91.054001 7.806
121.064003 10.501
135.080002 35.542999
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191.106003 120.060997
203.106003 75.316002
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215.106003 70.648003
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283.131989 20.523001
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309.112 21.247999
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365.174011 13.043
367.190002 285.673004
END IONS
BEGIN IONS
SCANS=744
PEPMASS=451.28299
CHARGE=1
COLLISION_ENERGY=0.0
59.876999 15.476
65.545998 10.632
69.069 42.319
81.544998 11.129
83.779999 11.105
88.931999 10.777
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173.498001 330.946991
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240.113007 168.276001
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268.108002 51.069
283.131989 176.968002
END IONS
BEGIN IONS
SCANS=745
PEPMASS=452.39499
CHARGE=1
COLLISION_ENERGY=0.0
57.07 23.521
62.150002 3.491
71.084999 6.367
73.028 6.324
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89.058998 551.403992
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148.735001 46.272999
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237.811005 4.846
239.149002 864.857971
263.300995 4.702
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310.208008 4.732
352.265991 4.611
END IONS
BEGIN IONS
SCANS=746
PEPMASS=453.17599
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 27.899
81.057999 82.494003
95.084999 165.057999
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167.033005 59.280998
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173.494003 33.297001
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195.028 31.681999
245.117004 12.286
267.121002 8.472
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291.122986 173.179001
END IONS
BEGIN IONS
SCANS=747
PEPMASS=453.19101
CHARGE=1
COLLISION_ENERGY=0.0
59.035999 19.958
67.050003 461.630005
79.054001 218.009995
81.060997 889.192993
95.084999 1085.567993
123.080002 464.115997
151.074997 419.240997
173.496994 968.72699
177.089996 150.893005
203.069 137.067993
241.085007 118.225998
255.100998 138.395996
271.096008 170.626007
285.110992 617.314026
311.091003 361.734009
313.105988 515.237976
329.101013 191.067001
331.117004 194.063004
355.117004 460.845001
393.169006 91.832001
407.18399 252.914001
409.213989 42.664001
END IONS
BEGIN IONS
SCANS=748
PEPMASS=453.19101
CHARGE=1
COLLISION_ENERGY=0.0
60.530998 15.52
67.054001 26.243999
81.07 25.927
95.084999 54.883999
123.080002 30.469
146.059006 162.647995
148.731995 82.463997
151.074997 41.294998
173.5 80.337997
194.080994 137.154999
206.080994 18.799999
209.095993 20.013
250.070999 20.226
262.143005 98.832001
285.112 19.555
313.106995 39.602001
339.085999 20.823999
355.117004 34.509998
357.096985 18.502001
389.440002 17.82
407.186005 18.747999
END IONS
BEGIN IONS
SCANS=749
PEPMASS=453.22501
CHARGE=1
COLLISION_ENERGY=0.0
58.034 16.337999
59.011002 20.011999
62.254002 31.613001
122.149002 68.653999
135.080002 20.676001
173.498001 1014.408997
187.072006 1403.660034
202.059006 55.772999
203.067001 854.406006
205.082993 151.149994
219.061996 458.028992
272.356995 13.818
287.123993 3.575
289.140015 6.729
300.019989 12.55
324.429993 11.141
367.190002 18.722
369.130005 88.277
370.251007 8.294
384.153992 410.756989
END IONS
BEGIN IONS
SCANS=750
PEPMASS=454.15399
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 84.182999
76.021004 54.535999
81.064003 315.753998
95.084999 468.811005
123.067001 577.307983
167.033005 332.259003
177.054001 165.270996
193.048996 349.417999
195.028 144.738007
205.048996 113.153999
258.11499 60.221001
273.112 187.574005
286.109985 24.688999
291.122009 985.330017
312.015015 1.633
331.100006 0.838
349.110992 0.624
366.136993 0.393
367.119995 14.1
408.14801 0.351
412.143005 2.219
END IONS
BEGIN IONS
SCANS=751
PEPMASS=454.29401
CHARGE=1
COLLISION_ENERGY=0.0
57.07 50.48
62.060001 56.626999
71.084999 22.558001
81.069 20.785999
95.084999 32.155998
152.455994 14.29
155.009995 23.693001
173.496994 147.195007
214.153 15.066
224.729004 13.715
242.757996 14.063
253.742004 17.908001
282.278992 40.387001
296.917999 15.5
309.681 15.43
313.27301 437.487
329.145996 14.637
359.040009 15.481
393.23999 32.541
END IONS
BEGIN IONS
SCANS=752
PEPMASS=455.155
CHARGE=2
COLLISION_ENERGY=0.0
79.054001 33.269001
81.07 64.858002
93.07 34.880001
95.084999 384.307007
123.080002 208.057007
167.033005 42.021999
173.496002 25.528999
193.048996 74.584999
195.028 22.024
241.037994 26.625
251.022003 50.957001
285.07901 110.800003
291.122009 179.966995
303.089996 164.223007
319.101013 314.47699
321.100006 220.175003
347.079987 262.92099
365.089996 109.113998
383.101013 14.631
391.878998 3.712
437.269989 3.722
471.131989 8.43
497.110992 72.778
498.114014 8.169
513.961975 3.625
515.122009 7.7
531.203979 4.135
575.19397 7.043
576.041016 3.786
593.205017 7.596
619.184021 236.929993
620.187012 26.558001
637.19397 42.750999
638.197021 5.915
652.541992 4.068
660.210022 2.719
733.265991 0.232
END IONS
BEGIN IONS
SCANS=753
PEPMASS=455.207
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 6.122
79.054001 8.303
81.069 30.816
95.084999 16.707001
104.240997 5.916
163.037994 137.766006
173.498001 69.900002
189.016998 119.238998
207.028 58.416
217.048996 30.912001
257.115997 39.993999
285.110992 20.143
303.122009 422.299988
354.761993 5.849
END IONS
BEGIN IONS
SCANS=754
PEPMASS=455.28
CHARGE=1
COLLISION_ENERGY=0.0
81.069 28.566
91.054001 30.087
105.069 27.374001
107.084999 221.266998
119.084999 34.193001
159.115997 27.247999
173.496994 368.348999
177.162994 51.201
229.621002 14.671
291.121002 29.531
347.303009 18.934999
369.169006 80.981003
377.247009 27.412001
377.959991 19.667999
397.196991 20.518
END IONS
BEGIN IONS
SCANS=755
PEPMASS=455.33499
CHARGE=0
COLLISION_ENERGY=0.0
56.243999 31.459999
66.736 36.091
66.970001 32.269001
74.372002 34.368999
92.420998 36.805
94.091003 35.200001
130.186996 41.757999
148.733002 246.783997
173.496994 244.725998
198.404007 43.051998
246.264008 35.375999
289.582001 40.695
351.39801 34.192001
365.806 33.805
400.921997 36.876999
402.075012 36.540001
END IONS
BEGIN IONS
SCANS=756
PEPMASS=457.172
CHARGE=1
COLLISION_ENERGY=0.0
81.07 47.209999
96.055 106.502998
97.100998 18.396
111.043999 13.583
123.043999 21.586
167.037994 459.463989
173.498993 158.283997
177.054001 15.679
195.028 134.039993
205.048996 12.382
291.122009 12.874
END IONS
BEGIN IONS
SCANS=757
PEPMASS=457.29599
CHARGE=1
COLLISION_ENERGY=0.0
69.07 51.191002
81.07 56.358002
95.084999 72.438004
105.07 78.713997
107.084999 81.342003
119.084999 83.152
133.100998 94.214996
147.115997 77.321999
161.132004 75.383003
173.494003 66.405998
203.179001 152.740997
217.195007 28.068001
229.194 17.173
250.264008 16.018999
403.265015 23.527
421.274994 25.954
END IONS
BEGIN IONS
SCANS=758
PEPMASS=459.21301
CHARGE=1
COLLISION_ENERGY=0.0
69.07 16.482
81.07 22.146999
82.065002 15.267
110.023003 61.881001
136.074997 33.860001
137.132004 25.753
173.498001 118.139999
180.065002 68.413002
194.080994 33.606998
218.080994 20.450001
246.074997 282.089996
262.143005 8.341
274.070007 11.205
314.138 183.774994
327.134003 12.374
342.134003 11.211
373.139008 20.801001
397.210999 8.797
399.191986 14.519
413.204987 14.668
423.192993 9.389
END IONS
BEGIN IONS
SCANS=759
PEPMASS=459.311
CHARGE=0
COLLISION_ENERGY=0.0
57.07 96.703003
69.069 1006.333984
81.069 164.932007
83.084999 245.932007
125.132004 144.639008
127.074997 182.386002
149.132004 56.811001
173.496994 196.179993
191.106003 115.282997
217.158005 20.113001
219.210007 12.356
245.153 52.208
252.600998 7.131
314.192993 3.627
315.230988 1165.595947
316.234985 186.889999
333.242004 116.556999
END IONS
BEGIN IONS
SCANS=760
PEPMASS=459.311
CHARGE=1
COLLISION_ENERGY=0.0
69.07 30.843
81.07 43.879002
95.084999 84.675003
97.100998 101.357002
119.084999 44.185001
145.100998 80.593002
147.080002 53.242001
173.498993 83.18
193.158005 121.406998
203.141998 90.387001
205.121994 68.43
231.136993 97.482002
249.147995 70.194
351.161987 15.364
378.29599 14.782
END IONS
BEGIN IONS
SCANS=761
PEPMASS=460.26999
CHARGE=1
COLLISION_ENERGY=0.0
69.032997 33.549
91.054001 28.622
107.084999 82.894997
119.084999 613.718994
135.080002 132.714996
165.089996 16.688999
173.498993 39.599998
192.404999 4.224
236.177994 4.01
265.929993 4.393
281.138 23.777
320.446014 5.469
367.266998 5.769
396.964996 4.568
END IONS
BEGIN IONS
SCANS=762
PEPMASS=461.181
CHARGE=0
COLLISION_ENERGY=0.0
58.692001 16.250999
67.054001 17.059
95.061996 73.004997
111.043999 33.514
139.037994 106.227997
148.731003 52.104
167.033005 38.818001
173.496994 97.901001
179.033005 54.16
193.048996 46.227001
251.126999 85.977997
275.700012 14.677
293.138 295.199005
END IONS
BEGIN IONS
SCANS=763
PEPMASS=461.26901
CHARGE=1
COLLISION_ENERGY=0.0
61.146999 11.456
64.209 11.671
69.053001 28.226999
79.733002 11.346
94.335999 12.733
135.080002 25.981001
163.110992 71.205002
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173.494995 153.878006
175.110992 42.692001
191.106003 77.624001
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269.209015 13.276
293.06601 11.438
365.210999 15.892
375.195007 26.34
380.203003 10.614
393.204987 163.880005
END IONS
BEGIN IONS
SCANS=764
PEPMASS=461.26901
CHARGE=1
COLLISION_ENERGY=0.0
69.07 10.314
91.054001 3.943
131.085007 13.971
159.080002 20.080999
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189.091003 17.561001
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303.138 32.647999
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346.156006 48.573002
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393.205994 381.024994
END IONS
BEGIN IONS
SCANS=765
PEPMASS=461.29001
CHARGE=1
COLLISION_ENERGY=0.0
81.07 71.858002
93.07 64.973
105.069 66.555
119.084999 67.510002
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292.005005 13.125
311.200012 47.182999
365.247009 42.952999
371.222992 18.743999
383.257996 59.342999
END IONS
BEGIN IONS
SCANS=766
PEPMASS=462.23401
CHARGE=1
COLLISION_ENERGY=0.0
57.07 42.293999
59.049 87.262001
67.054001 5.054
85.058998 241.529007
135.080002 42.040001
151.074997 19.273001
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181.085007 247.955994
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231.136993 25.757
235.132004 39.682999
247.132004 20.844999
249.147995 450.610992
265.143005 566.999023
282.15799 3.811
298.554993 3.435
END IONS
BEGIN IONS
SCANS=767
PEPMASS=463.15799
CHARGE=1
COLLISION_ENERGY=0.0
58.519001 31.834999
60.176998 24.004
66.066002 22.362
75.321999 25.212999
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113.019997 49.756001
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183.046005 30.075001
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220.792007 24.052
269.098999 36.441002
284.125 24.055
301.104004 89.264999
305.334015 24.732
317.917999 27.624001
351.411987 29.474001
END IONS
BEGIN IONS
SCANS=768
PEPMASS=463.245
CHARGE=1
COLLISION_ENERGY=0.0
58.369999 8.192
69.07 24.334999
69.889 2.994
72.804001 4.743
82.194 3.98
109.918999 5.871
151.074997 35.304001
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218.080994 113.410004
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248.126999 64.442001
304.153992 520.973999
313.967987 3.582
314.138 84.376999
316.190002 93.268997
320.061005 5.73
332.148987 243.639008
END IONS
BEGIN IONS
SCANS=769
PEPMASS=463.28299
CHARGE=1
COLLISION_ENERGY=0.0
58.338001 20.471001
79.457001 21.914
103.230003 28.087999
148.733002 188.087997
173.494995 147.307007
247.690002 24.976999
355.223999 569.153992
END IONS
BEGIN IONS
SCANS=770
PEPMASS=465.26401
CHARGE=1
COLLISION_ENERGY=0.0
57.743999 10.384
62.867001 24.094999
64.441002 7.845
73.710999 21.290001
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161.778 22.950001
173.498001 546.656982
231.136993 35.695999
242.373001 25.025999
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245.115997 50.599998
280.141998 25.124001
305.153015 34.745998
333.14801 454.791992
347.164001 60.729
348.17099 433.631989
349.149994 313.69101
364.166992 174.645004
379.190002 381.781006
433.235992 7.596
END IONS
BEGIN IONS
SCANS=771
PEPMASS=465.298
CHARGE=1
COLLISION_ENERGY=0.0
59.206001 54.951
67.021004 32.59
83.540001 34.473
98.873001 33.224998
113.958 37.717999
116.323997 82.605003
150.080002 31.377001
173.498001 933.934021
207.184006 18.997
226.514008 37.636002
238.347 33.165001
255.134995 871.116028
256.143005 330.716003
278.020996 35.602001
301.141998 18.037001
335.677002 35.140999
340.013 40.881001
350.72699 14.994
357.549988 21.077
363.466003 15.206
END IONS
BEGIN IONS
SCANS=772
PEPMASS=465.298
CHARGE=1
COLLISION_ENERGY=0.0
60.155998 33.369999
64.252998 30.893
73.184998 31.343
96.903 31.93
108.467003 31.114
130.264008 32.050999
173.5 362.541992
216.072006 36.099998
239.139999 247.395004
249.145004 97.294998
272.041992 34.099998
315.877014 31.868
END IONS
BEGIN IONS
SCANS=773
PEPMASS=467.13101
CHARGE=1
COLLISION_ENERGY=0.0
57.412998 6.768
60.298 4.621
65.014 4.567
69.07 32.633999
81.07 4.835
82.154999 4.773
131.992996 33.813
148.733002 39.810001
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173.496994 84.851997
177.998993 76.431999
194.080994 368.997986
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274.143005 105.929001
302.138 28.344999
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314.138 194.733002
340.377991 7.123
END IONS
BEGIN IONS
SCANS=774
PEPMASS=467.189
CHARGE=1
COLLISION_ENERGY=0.0
57.07 21.625
57.465 20.410999
57.731998 15.928
59.049 24.163
81.742996 30.028
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173.496002 1117.473022
181.085007 773.77002
201.035995 136.207993
203.052994 1346.369995
265.141998 20.382
287.125 118.410004
299.052002 32.518002
305.13501 533.049011
313.273987 27.437
365.110992 142.813004
382.123993 743.877014
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388.196991 14.062
END IONS
BEGIN IONS
SCANS=775
PEPMASS=467.189
CHARGE=1
COLLISION_ENERGY=0.0
68.487999 16.834999
84.017998 26.450001
95.010002 76.495003
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113.019997 88.321999
173.498001 234.809006
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220.070007 35.397999
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278.635986 19.277
305.13501 38.962002
321.097992 24.459999
326.09201 24.667999
415.292999 18.691999
419.167999 41.389999
END IONS
BEGIN IONS
SCANS=776
PEPMASS=467.20401
CHARGE=1
COLLISION_ENERGY=0.0
61.623001 8.041
63.491001 8.704
115.014 9.792
121.064003 23.695999
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173.496994 445.940002
179.070007 125.387001
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221.078003 1765.793945
287.118988 88.191002
289.139008 323.539001
296.75 8.071
302.707001 8.505
313.27301 74.834999
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395.06601 4.258
397.125 21.341999
END IONS
BEGIN IONS
SCANS=777
PEPMASS=467.27701
CHARGE=0
COLLISION_ENERGY=0.0
64.009003 13.51
69.069 9.999
81.07 10.517
109.065002 13.921
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151.074997 16.391001
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173.496002 201.785004
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181.085007 64.174004
217.046005 88.899002
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221.078003 618.119019
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313.27301 32.215
331.890991 9.61
339.493011 9.514
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397.123993 5.191
398.132996 202.095993
END IONS
BEGIN IONS
SCANS=778
PEPMASS=467.28
CHARGE=1
COLLISION_ENERGY=0.0
69.07 11.183
91.054001 11.546
121.065002 13.965
135.080002 48.950001
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367.190002 2.561
369.205994 22.075001
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435.252991 1.166
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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81.069 38.151001
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132.080002 45.162998
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375.556 4.004
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END IONS
BEGIN IONS
SCANS=780
PEPMASS=468.28101
CHARGE=0
COLLISION_ENERGY=0.0
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72.516998 27.74
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
SCANS=784
PEPMASS=469.19901
CHARGE=1
COLLISION_ENERGY=0.0
57.147999 40.893002
57.388 42.237
63.279999 32.077
82.329002 41.792
126.075996 43.963001
126.684998 37.778
127.321999 35.862999
133.447006 38.597
148.158005 34.924999
173.496994 526.911011
358.963013 40.543999
385.239014 42.103001
412.839996 42.317001
END IONS
BEGIN IONS
SCANS=785
PEPMASS=469.22
CHARGE=1
COLLISION_ENERGY=0.0
61.286999 15.874
63.551998 17.212999
82.651001 25.83
106.775002 11.955
119.944 11.785
148.731995 32.521
173.496994 933.140991
201.052002 172.860001
202.059006 85.181
203.067001 1404.713989
219.061996 1485.399048
221.078003 732.830017
262.143005 32.804001
281.319 9.926
289.131989 75.177002
292.558014 20.563999
314.139008 16.247999
363.529999 14.017
385.125 30.795
400.14801 349.871002
401.156006 146.647003
412.687988 12.165
414.858002 14.887
END IONS
BEGIN IONS
SCANS=786
PEPMASS=469.22
CHARGE=1
COLLISION_ENERGY=0.0
66.279999 42.886002
79.893997 31.827
95.754997 33.886002
104.306999 29.51
119.277 31.323999
124.740997 29.438
173.496002 557.330017
181.085999 33.157001
187.072006 283.790009
189.126999 44.463001
203.067993 164.451004
247.059006 39.118
261.110992 97.978996
287.126007 23.290001
289.105988 79.079002
301.036987 16.43
343.924011 27.525999
346.565002 15.875
361.950989 38.698002
385.161011 103.921997
407.118011 31.197001
421.199005 40.507999
END IONS
BEGIN IONS
SCANS=787
PEPMASS=469.259
CHARGE=0
COLLISION_ENERGY=0.0
57.07 16.261
59.049 58.063999
67.054001 15.751
85.064003 28.316
89.877998 5.738
113.925003 6.557
151.074997 7.842
165.089996 13.126
173.496994 269.016998
179.070007 46.511002
181.085007 19.603001
233.115997 152.567001
267.101013 47.035999
268.109009 151.636002
269.115997 64.989998
282.123993 61.893002
298.118988 43.115002
299.127014 127.514
365.174011 102.442001
367.190002 117.991997
379.190002 85.227997
383.184998 184.350006
397.200012 166.466003
END IONS
BEGIN IONS
SCANS=788
PEPMASS=470.14801
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 25.466
81.063004 156.675995
95.084999 232.832993
113.042 62.229
123.07 270.761993
167.033005 284.540009
173.061996 48.908001
173.496994 36.648998
193.048996 135.065002
195.028 122.945
205.048996 26.339001
250.707993 6.138
273.110992 66.224998
291.122009 395.424011
294.653992 5.091
305.084015 8.123
323.095001 90.280998
END IONS
BEGIN IONS
SCANS=789
PEPMASS=470.20401
CHARGE=1
COLLISION_ENERGY=0.0
81.07 71.446999
95.084999 25.309
99.080002 6.188
110.035004 53.438999
137.082001 27.427999
167.033005 491.42099
173.498993 52.074001
180.087997 1061.917969
189.054001 17.643999
195.028 151.822006
245.117004 2.267
271.130005 1.765
273.110992 9.657
291.122009 11.509
END IONS
BEGIN IONS
SCANS=790
PEPMASS=470.21701
CHARGE=2
COLLISION_ENERGY=0.0
83.013 2.152
121.065002 10.26
135.080002 13.063
151.074997 19.195
153.091003 14.556
159.033005 11.74
177.042999 14.02
181.085999 161.697006
218.070007 16.091
251.093002 17.6
255.054001 41.445
260.097992 120.488998
273.063995 38.296001
283.153992 87.739998
320.138 242.274994
320.639008 37.730999
339.110992 87.441002
357.122009 39.139
384.188995 2.291
398.203003 1.14
434.240997 1.183
452.25 7.845
639.268005 6.321
END IONS
BEGIN IONS
SCANS=791
PEPMASS=470.29001
CHARGE=1
COLLISION_ENERGY=0.0
68.098 13.065
70.065002 30.990999
79.054001 14.485
81.07 18.695
95.084999 30.639
135.042999 54.464001
136.074997 55.724998
153.054001 94.105003
173.498001 223.677994
190.123001 14.54
226.992996 13.736
248.237 17.587999
258.221008 77.455002
276.231995 259.196014
288.230988 68.191002
364.182007 13.447
END IONS
BEGIN IONS
SCANS=792
PEPMASS=471.202
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 28.264999
79.054001 60.462002
81.069 259.593994
95.084999 100.071999
99.080002 106.682999
135.080002 126.75
165.089996 389.946014
167.033005 258.906006
173.498001 119.067001
181.048996 71.862
195.028 55.956001
254.093002 61.084999
259.169006 46.623001
270.088013 87.200996
271.096008 80.986
285.112 428.550995
313.106995 192.360001
331.117004 218.320007
339.085999 19.471001
355.117004 14.107
357.096008 24.403
407.184998 7.582
409.200012 5.443
427.210999 26.561001
END IONS
BEGIN IONS
SCANS=793
PEPMASS=471.27499
CHARGE=0
COLLISION_ENERGY=0.0
67.054001 27.156
81.069 82.753998
95.075996 118.869003
123.115997 39.653
151.074997 38.203999
163.037994 56.562
173.496994 142.192993
189.018005 36.980999
251.089996 30.677
257.117004 18.021
267.100006 22.969999
285.110992 30.961
303.122009 99.848999
313.106995 65.524002
339.084991 35.533001
355.156006 68.174004
407.18399 22.039
435.200012 63.881001
END IONS
BEGIN IONS
SCANS=794
PEPMASS=472.20499
CHARGE=0
COLLISION_ENERGY=0.0
69.07 6.725
81.07 26.177
82.072998 5.049
95.084999 7.889
99.080002 13.213
151.074997 20.422001
165.091003 18.212999
167.033005 13.801
173.496002 16.58
206.080994 174.878998
220.095993 73.692001
262.143005 77.584
271.093994 11.874
274.143005 19.458
285.110992 20.702
286.11499 50.542
330.205994 325.127014
332.119995 20.402
358.200989 89.264999
424.947998 2.553
428.214996 5.853
END IONS
BEGIN IONS
SCANS=795
PEPMASS=472.28101
CHARGE=1
COLLISION_ENERGY=0.0
60.919998 6.448
69.07 4.805
81.069 33.444
82.072998 8.327
95.084999 16.556999
99.080002 11.434
148.733994 24.573999
151.074997 29.947001
173.498001 94.952003
194.080994 52.723999
206.080994 621.390991
220.095993 237.914001
262.143005 498.161011
271.067993 32.070999
274.143005 49.104
286.11499 48.375
330.205994 878.127991
332.119995 28.868
358.195007 181.776993
381.875 0.913
428.216003 6.143
433.51001 4.854
END IONS
BEGIN IONS
SCANS=796
PEPMASS=473.26501
CHARGE=1
COLLISION_ENERGY=0.0
67.035004 3.824
68.175003 4.509
69.07 12.031
92.289001 3.938
96.824997 3.818
107.084999 3.936
173.496994 123.469002
176.070007 7.151
194.080994 32.896999
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206.080994 209.705002
220.095993 73.447998
262.143005 110.300003
274.143005 25.591
294.630005 4.742
330.205994 375.32901
END IONS
BEGIN IONS
SCANS=797
PEPMASS=473.29001
CHARGE=1
COLLISION_ENERGY=0.0
69.07 137.778
105.07 379.791992
107.084999 1184.488037
119.084999 279.812988
147.115997 256.984985
173.496994 794.151978
177.162994 332.641998
215.179001 64.981003
217.194 66.111
229.194 45.466
251.091003 376.817993
291.122009 113.070999
309.132996 100.734001
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347.221008 9.784
385.187012 45.856998
403.210999 46.174
413.194 12.865
419.256989 9.386
420.691986 11.422
END IONS
BEGIN IONS
SCANS=798
PEPMASS=473.29001
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 35.160999
69.07 40.173
95.084999 105.244003
97.100998 193.584
123.080002 33.226002
147.080002 51.769001
173.498001 285.145996
193.158005 191.970993
217.121002 31.690001
235.132004 32.036999
END IONS
BEGIN IONS
SCANS=799
PEPMASS=474.181
CHARGE=2
COLLISION_ENERGY=0.0
79.054001 13.613
81.069 89.431999
95.084999 28.816999
99.080002 14.796
123.042999 14.704
173.496994 22.896999
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249.067001 11.426
263.065002 35.567001
311.112 12.522
320.117004 422.506012
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331.10199 16.299
349.113007 25.153999
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425.071014 4.718
443.082001 4.522
499.144012 24.329
500.145996 5.053
523.146973 1.865
541.155029 5.175
654.254028 1.609
665.575012 1.57
END IONS
BEGIN IONS
SCANS=800
PEPMASS=474.26999
CHARGE=1
COLLISION_ENERGY=0.0
60.344002 8.911
62.421001 8.981
83.859001 9.18
85.028 27.26
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173.496002 60.344002
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233.153 25.25
259.174011 8.361
269.218994 8.741
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287.894989 8.349
374.093994 8.106
END IONS
BEGIN IONS
SCANS=801
PEPMASS=474.35901
CHARGE=1
COLLISION_ENERGY=0.0
58.908001 14.44
69.069 102.322998
95.084999 40.618
105.069 79.568001
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189.162994 467.644012
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217.158005 1625.80896
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241.270004 7.53
257.377991 4.142
295.888 11.447
327.197998 11.443
329.347992 7.936
346.675995 11.047
END IONS
BEGIN IONS
SCANS=802
PEPMASS=475.15799
CHARGE=1
COLLISION_ENERGY=0.0
57.077 19.302
60.217999 18.384001
76.725998 17.487
83.545998 17.747
108.514 19.216
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139.959 17.767
173.498001 175.697998
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284.265015 18.705
313.104004 613.864014
394.295013 26.804001
END IONS
BEGIN IONS
SCANS=803
PEPMASS=475.28101
CHARGE=1
COLLISION_ENERGY=0.0
60.825001 3.413
69.07 13.244
69.363998 3.427
73.196999 3.56
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316.190002 599.687012
330.205994 115.047997
344.184998 193.423004
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374.76001 4.598
377.497986 3.253
END IONS
BEGIN IONS
SCANS=804
PEPMASS=475.306
CHARGE=1
COLLISION_ENERGY=0.0
69.069 11.649
71.049004 306.70401
81.069 29.094999
109.064003 14.418
123.115997 35.676998
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173.498001 32.380001
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243.136993 72.864998
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261.147003 16.212999
313.216003 88.389
331.226013 149.686005
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349.237 17.576
400.251007 4.382
END IONS
BEGIN IONS
SCANS=805
PEPMASS=475.306
CHARGE=1
COLLISION_ENERGY=0.0
69.07 59.188
81.069 39.675999
95.084999 40.428001
105.069 43.669998
107.084999 84.727997
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173.496994 145.960007
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344.186005 16.924999
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415.283997 38.981998
417.299011 7.455
421.27301 15.457
439.283997 24.781
END IONS
BEGIN IONS
SCANS=806
PEPMASS=475.327
CHARGE=1
COLLISION_ENERGY=0.0
57.07 62.449001
69.032997 63.712002
81.032997 102.720001
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127.038002 83.634003
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272.647003 7.044
290.737 6.955
305.351013 7.287
313.27301 102.277
341.266998 10.436
383.278992 168.869995
END IONS
BEGIN IONS
SCANS=807
PEPMASS=476.13501
CHARGE=1
COLLISION_ENERGY=0.0
57.179001 15.332
57.717999 22.608
78.737 13.253
81.07 48.085999
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269.114014 104.137001
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313.104004 1361.319946
323.063995 11.599
326.10199 10.034
347.09201 268.489014
373.108002 5.79
388.118011 20.278999
389.10199 58.311001
432.144012 7.972
END IONS
BEGIN IONS
SCANS=808
PEPMASS=476.30099
CHARGE=1
COLLISION_ENERGY=0.0
69.07 4.012
79.054001 17.131001
91.054001 4.628
107.084999 34.171001
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283.131989 29.68
315.15799 299.938995
317.194 1.579
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332.229004 6.707
383.221008 13.813
END IONS
BEGIN IONS
SCANS=809
PEPMASS=477.26001
CHARGE=1
COLLISION_ENERGY=0.0
57.936001 4.413
69.069 13.557
73.612 4.961
79.069 4.532
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232.095993 70.542999
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318.17099 319.687012
328.153992 45.013
END IONS
BEGIN IONS
SCANS=810
PEPMASS=477.823
CHARGE=1
COLLISION_ENERGY=0.0
65.608002 42.985001
81.237999 38.644001
84.987999 43.973999
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163.488998 42.244999
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407.464996 40.533001
END IONS
BEGIN IONS
SCANS=811
PEPMASS=478.293
CHARGE=1
COLLISION_ENERGY=0.0
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62.060001 41.283001
67.054001 58.277
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81.069 61.761002
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428.877014 14.791
END IONS
BEGIN IONS
SCANS=812
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CHARGE=1
COLLISION_ENERGY=0.0
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93.875 23.882
119.125 28.815001
138.253006 30.565001
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173.496994 392.644012
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190.951996 24.711
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317.13501 330.455994
END IONS
BEGIN IONS
SCANS=813
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CHARGE=1
COLLISION_ENERGY=0.0
67.212997 5.817
78.634003 6.013
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83.049004 10.905
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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67.054001 41.242001
69.07 196.860001
91.054001 217.225006
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121.064003 628.825989
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421.238007 92.608002
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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360.312012 3.72
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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355.222992 3330.835938
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END IONS
BEGIN IONS
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PEPMASS=481.293
CHARGE=1
COLLISION_ENERGY=0.0
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173.496002 777.570984
END IONS
BEGIN IONS
SCANS=820
PEPMASS=481.293
CHARGE=1
COLLISION_ENERGY=0.0
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221.552994 27.858999
261.223999 33.630001
264.799988 24.503
271.130005 104.329002
349.93399 26.570999
355.225006 112.978996
361.596008 24.768999
END IONS
BEGIN IONS
SCANS=821
PEPMASS=482.17001
CHARGE=2
COLLISION_ENERGY=0.0
79.054001 21.885
81.07 122.002998
95.084999 74.027
99.080002 23.181999
123.043999 25.684999
167.033005 43.029999
193.048996 27.464001
195.028 23.368
205.016998 20.386
223.026993 74.154999
241.037994 49.168999
267.016998 94.642998
268.996002 21.737
285.028015 72.848999
328.105988 950.606995
328.608002 153.352005
347.079987 81.290001
365.091003 63.419998
401.018005 5.9
417.049011 22.305
453.122009 0.739
459.059998 1.446
513.143982 0.367
515.120972 24.143
516.125 2.583
548.937988 0.265
END IONS
BEGIN IONS
SCANS=822
PEPMASS=482.297
CHARGE=0
COLLISION_ENERGY=0.0
71.084999 6.449
73.202003 3.773
85.100998 4.834
87.043999 7.052
89.058998 264.871002
133.085007 138.113007
148.733002 6.497
173.498001 19.554001
177.112 47.138
195.121994 9.084
232.893005 3.485
239.147995 6.679
283.174988 352.161011
298.312012 3.327
309.770996 3.112
355.223999 27.150999
356.22699 96.719002
END IONS
BEGIN IONS
SCANS=823
PEPMASS=482.40601
CHARGE=0
COLLISION_ENERGY=0.0
60.334999 7.342
67.013 3.868
71.084999 9.078
87.043999 12.898
89.058998 772.044006
90.707001 5.154
133.085007 421.536987
173.498001 233.776993
177.110992 128.893005
195.121994 32.136002
239.147995 29.457001
272.134003 6.043
273.760986 4.76
283.174011 1144.317017
291.82901 4.257
352.122009 3.897
354.317993 3.822
355.223999 22.254999
356.22699 130.563004
END IONS
BEGIN IONS
SCANS=824
PEPMASS=483.16501
CHARGE=0
COLLISION_ENERGY=0.0
59.049 4.785
67.116997 13.456
79.054001 46.231998
81.069 486.294006
95.084999 113.317001
99.080002 138.815994
137.059006 8.784
148.729996 7.093
173.496994 209.158997
199.074997 20.146
213.054001 26.502001
227.070007 166.128998
255.063995 219.921005
267.065002 65.556
269.044006 143.231003
297.075012 101.661003
323.054993 180.949997
325.070007 44.101002
343.080994 670.159973
369.059998 374.891998
385.091003 533.473022
387.071014 203.804993
419.148987 20.292999
423.144012 70.585999
END IONS
BEGIN IONS
SCANS=825
PEPMASS=483.20001
CHARGE=1
COLLISION_ENERGY=0.0
60.221001 21.367001
60.424999 20.150999
73.040001 21.325001
89.572998 18.462
90.575996 19.155001
112.501999 20.042
148.729996 201.591995
156.934998 16.674999
173.498001 707.276978
203.078003 95.289001
217.046997 112.051003
219.061005 34.171001
221.076996 1175.083008
285.109009 19.563
291.794006 18.125999
298.253998 64.565002
300.628998 18.849001
303.119995 174.136002
366.274994 22.934999
END IONS
BEGIN IONS
SCANS=826
PEPMASS=483.20001
CHARGE=0
COLLISION_ENERGY=0.0
69.069 13.161
75.117996 11.059
80.485001 13.086
135.080002 37.145
148.733994 31.739
165.089996 65.320999
173.496002 82.808998
191.106003 111.780998
221.095001 292.203003
233.151993 39.332001
285.109009 22.187
303.119995 31.737
305.13501 37.879002
307.204987 50.252998
349.217987 18.882999
367.226013 54.172001
385.237 38.487999
401.029999 12.419
419.041992 23.985001
END IONS
BEGIN IONS
SCANS=827
PEPMASS=483.272
CHARGE=0
COLLISION_ENERGY=0.0
67.054001 4.321
79.054001 13.781
81.069 129.483002
95.084999 25.705
99.080002 35.394001
148.731003 17.665001
173.494995 19.940001
199.074997 5.978
213.054001 7.99
227.069 29.273001
255.063995 41.025002
267.063995 24.159
269.044006 26.330999
297.075012 31.16
323.053986 25.511
325.070007 27.07
343.080994 218.0
369.059998 78.259003
385.091003 156.167007
387.071014 34.907001
419.148987 9.077
423.143005 23.302999
447.143005 8.392
END IONS
BEGIN IONS
SCANS=828
PEPMASS=483.27499
CHARGE=1
COLLISION_ENERGY=0.0
59.049 33.332001
69.07 16.052999
81.07 14.618
85.064003 30.309999
97.065002 23.546
105.069 12.364
165.091003 18.982
173.498001 308.27301
179.070007 3.498
191.106003 14.136
253.121002 158.630005
282.123993 268.80899
283.131989 154.940994
333.14801 178.776993
347.164001 196.505005
348.171997 179.171005
363.158997 165.720001
379.190002 358.380005
397.200012 379.385986
443.023987 11.311
END IONS
BEGIN IONS
SCANS=829
PEPMASS=483.409
CHARGE=0
COLLISION_ENERGY=0.0
62.130001 11.485
77.005997 10.907
89.058998 201.712006
90.063004 40.112999
133.085999 101.695
134.089005 27.879
148.731003 47.935001
173.498001 67.035004
177.112 24.959999
208.882004 10.318
221.966003 11.948
280.977997 11.573
283.174988 168.533005
284.178009 186.067993
301.023987 11.702
356.227997 12.348
357.230011 22.936001
427.924988 10.299
END IONS
BEGIN IONS
SCANS=830
PEPMASS=485.194
CHARGE=1
COLLISION_ENERGY=0.0
67.491997 30.841
71.822998 35.437
74.223 27.354
95.825996 28.938999
105.216003 29.75
121.282997 32.945
134.917007 33.080002
163.427002 30.294001
173.496994 435.532013
257.32901 28.552999
259.141998 31.188999
285.203003 28.937
292.619995 33.806
313.27301 128.427002
323.26001 31.700001
375.928986 33.216
END IONS
BEGIN IONS
SCANS=831
PEPMASS=485.215
CHARGE=0
COLLISION_ENERGY=0.0
69.038002 26.627001
93.07 18.201
97.537003 18.021999
111.080002 10.112
148.731995 327.182007
173.496994 776.68103
202.059006 265.513
203.067001 751.833008
219.061996 940.405029
221.078003 275.950989
287.125 148.490005
289.105988 19.309
305.131989 104.208
313.27301 138.408005
356.540009 19.32
385.126007 26.273001
400.148987 260.473999
401.156006 183.369003
433.830994 8.231
437.195007 89.999001
END IONS
BEGIN IONS
SCANS=832
PEPMASS=486.35901
CHARGE=1
COLLISION_ENERGY=0.0
69.069 536.830994
83.084999 169.164001
95.084999 43.624001
125.132004 85.378998
148.729996 48.816002
149.132004 45.341999
173.496002 289.479004
191.106003 45.563999
216.895004 12.02
219.210999 14.985
234.070999 9.764
245.153 61.771
258.063995 10.692
299.751007 6.884
315.231995 1355.978027
323.513 5.56
359.364014 6.469
372.907013 11.234
375.989014 8.88
430.602997 2.839
432.615997 9.299
435.092987 11.539
439.011993 7.984
END IONS
BEGIN IONS
SCANS=833
PEPMASS=487.26901
CHARGE=1
COLLISION_ENERGY=0.0
59.049 11.672
67.054001 3.863
71.063004 1.874
85.064003 7.274
91.054001 4.064
151.074997 9.966
165.089996 9.254
173.494995 16.395
175.074997 11.988
179.070007 35.029999
233.115997 80.135002
268.109009 85.620003
282.123993 58.748001
284.104004 58.645
298.118988 49.016998
299.127014 83.133003
365.174011 38.596001
367.190002 38.085999
383.18399 44.453999
385.200012 22.587
397.200012 28.961
433.235992 23.208
451.247009 257.541992
END IONS
BEGIN IONS
SCANS=834
PEPMASS=487.26901
CHARGE=1
COLLISION_ENERGY=0.0
81.07 23.712
91.054001 29.84
93.069 42.500999
105.069 56.493
119.084999 44.597
147.080002 89.422997
161.132004 63.143002
173.496994 126.100998
189.126999 85.911003
217.121994 47.487
235.132004 54.476002
261.110992 29.417
263.127014 26.601999
280.813995 15.641
289.105988 141.181
371.416992 14.3
387.140015 13.711
389.032013 32.195999
397.721985 13.103
END IONS
BEGIN IONS
SCANS=835
PEPMASS=488.21301
CHARGE=1
COLLISION_ENERGY=0.0
79.054001 11.007
81.069 168.352997
95.084999 21.516001
99.080002 172.022995
123.042999 105.807999
141.089996 48.797001
167.033005 98.226997
169.048996 81.967003
193.048996 33.368
195.028 44.261002
273.110992 6.156
291.122009 25.115
292.776001 4.282
307.934998 3.601
309.131989 172.291
376.255005 3.23
END IONS
BEGIN IONS
SCANS=836
PEPMASS=488.37399
CHARGE=1
COLLISION_ENERGY=0.0
69.07 114.446999
95.084999 252.089996
97.100998 297.321014
107.084999 67.350998
109.100998 57.721001
119.084999 121.364998
173.496994 615.010986
189.162994 491.346985
193.158005 369.10199
215.141998 95.806
217.158005 1656.61499
233.151993 501.983002
275.898987 3.896
281.957001 6.541
289.496002 3.843
315.976013 6.482
344.053986 5.981
352.036011 4.314
392.584991 5.248
400.446991 4.367
425.304993 28.712
446.027008 7.096
END IONS
BEGIN IONS
SCANS=837
PEPMASS=489.224
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 8.1
69.069 29.635
85.064003 49.122002
95.068001 23.452999
136.074997 8.949
151.074005 25.870001
173.498001 99.850998
194.080002 162.641998
206.080994 12.554
219.136002 10.557
220.095993 119.823997
246.074997 56.007999
316.541992 8.177
369.834991 7.44
375.153992 257.130005
421.160004 81.078003
443.21701 30.757
END IONS
BEGIN IONS
SCANS=838
PEPMASS=489.285
CHARGE=1
COLLISION_ENERGY=0.0
69.069 55.547001
91.054001 45.191002
95.072998 99.906998
107.084999 636.619019
145.100998 56.841999
159.115997 125.914001
173.498993 599.672974
177.162994 219.082001
215.179001 26.728001
232.095993 123.730003
249.895996 17.438
251.091003 128.014008
300.158997 105.788002
325.127991 96.871002
329.210999 19.743
346.164001 106.302002
374.158997 36.918999
425.300995 14.168
435.251007 16.900999
441.557007 13.853
448.169006 31.888
453.264008 27.889
END IONS
BEGIN IONS
SCANS=839
PEPMASS=489.285
CHARGE=1
COLLISION_ENERGY=0.0
59.060001 14.471
67.054001 49.124001
93.07 16.921
95.084999 332.049011
123.080002 135.824005
147.080002 33.004002
151.074997 12.092
171.115997 22.055
173.496002 266.248993
209.153 12.351
217.121002 11.895
235.132004 10.692
259.681 9.62
263.126007 15.095
271.059998 9.349
273.024994 9.415
274.544006 9.227
403.117004 10.887
421.127991 19.681
END IONS
BEGIN IONS
SCANS=840
PEPMASS=489.297
CHARGE=1
COLLISION_ENERGY=0.0
62.248001 8.404
69.07 30.414
71.471001 4.652
82.994003 2.08
98.063004 5.85
126.202003 5.316
151.074005 34.147999
173.498001 242.330994
192.063995 16.034
194.080002 226.078995
206.080994 492.320007
220.095993 42.242001
261.13501 14.147
262.143005 479.016998
268.766998 5.459
274.143005 52.395
288.158997 2.164
330.205994 1115.561035
345.084991 2.372
346.580994 2.253
358.200989 198.764008
END IONS
BEGIN IONS
SCANS=841
PEPMASS=490.15601
CHARGE=2
COLLISION_ENERGY=0.0
79.054001 13.82
81.07 133.667999
95.084999 17.280001
99.080002 70.303001
123.043999 35.578999
167.033005 41.054001
169.048996 27.426001
193.048996 35.458
195.028 24.968
238.998993 19.860001
264.979004 26.966999
309.132996 17.974001
336.092987 208.688995
336.593994 33.224998
345.041992 27.848
363.052002 30.978001
381.062012 43.237999
438.002991 9.329
456.013 10.539
460.117004 8.272
531.094971 4.027
554.085999 21.040001
555.090027 9.278
556.09198 1.712
572.096985 20.087999
573.101013 10.898
652.161011 1.374
653.164978 0.672
670.169006 25.15
671.174011 17.080999
END IONS
BEGIN IONS
SCANS=842
PEPMASS=491.23999
CHARGE=1
COLLISION_ENERGY=0.0
58.608002 5.93
58.914001 5.634
66.429001 6.206
69.07 14.638
86.096001 8.063
147.537003 6.525
151.074997 17.403999
155.524994 7.116
173.496994 101.433998
194.080994 41.681
206.080994 22.367001
220.095993 84.541
246.074997 137.447006
262.143005 30.718
264.085999 47.196999
288.158997 36.282001
314.138 58.837002
330.205994 64.388
332.148987 193.681
358.200012 14.185
360.144012 76.608002
374.630005 6.709
383.615997 6.734
END IONS
BEGIN IONS
SCANS=843
PEPMASS=491.30099
CHARGE=1
COLLISION_ENERGY=0.0
59.049 11.518
69.069 12.903
71.049004 173.548996
81.069 20.544001
83.084999 82.390999
111.080002 59.924
127.074997 48.189999
129.089996 31.604
161.095001 36.123001
189.089996 27.688
217.121002 25.687
219.136993 41.491001
247.132996 15.702
259.132996 11.626
277.143005 19.896999
329.209991 25.837999
347.221008 319.328003
365.230988 35.999001
END IONS
BEGIN IONS
SCANS=844
PEPMASS=491.30099
CHARGE=1
COLLISION_ENERGY=0.0
69.07 313.595001
83.084999 61.442001
105.07 179.259995
107.084999 208.076996
119.084999 187.582001
137.059006 72.008003
147.115997 169.145996
173.498993 240.729004
189.091003 26.097
215.179001 63.168999
251.089996 86.524002
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269.101013 48.879002
273.220001 40.208
313.216003 13.745
331.196014 36.125999
385.199005 14.359
419.256989 14.86
421.220001 14.225
437.268005 72.497002
END IONS
BEGIN IONS
SCANS=845
PEPMASS=492.29599
CHARGE=1
COLLISION_ENERGY=0.0
109.065002 18.524
121.064003 27.476999
135.080002 41.227001
151.074997 47.054001
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173.501007 41.791
179.070007 70.623001
181.085007 367.136993
233.153 63.622002
238.098007 9.367
241.121994 14.66
254.093002 15.915
269.117004 18.974001
299.127014 20.861
301.143005 173.084
315.15799 7.303
331.153015 6.998
END IONS
BEGIN IONS
SCANS=846
PEPMASS=493.16901
CHARGE=1
COLLISION_ENERGY=0.0
60.570999 15.911
71.189003 14.281
93.790001 15.674
98.194 35.932999
107.638 15.237
148.731995 139.841003
173.494003 421.755005
203.052002 86.502998
233.041 53.939999
239.173004 11.159
246.699997 10.592
269.11499 28.615
276.390991 13.468
313.104004 381.355011
331.114014 737.862976
359.365997 17.871
END IONS
BEGIN IONS
SCANS=847
PEPMASS=493.18399
CHARGE=1
COLLISION_ENERGY=0.0
67.917 20.159
78.891998 20.844
81.241997 22.285999
84.989998 19.660999
122.765999 21.871
136.848999 21.604
173.498001 412.526001
281.114014 50.957001
325.104004 247.576004
371.109009 101.045998
431.182007 34.257
449.191986 27.211
END IONS
BEGIN IONS
SCANS=848
PEPMASS=493.20499
CHARGE=1
COLLISION_ENERGY=0.0
79.096001 28.235001
81.443001 31.704
103.964996 33.215
110.251999 34.612999
168.477997 31.101
170.908997 35.056
173.496002 177.686005
243.046997 85.505997
245.061996 158.647003
310.772003 25.606001
407.131989 59.671001
424.134003 143.121002
425.140991 95.257004
434.47699 31.521999
END IONS
BEGIN IONS
SCANS=849
PEPMASS=493.259
CHARGE=0
COLLISION_ENERGY=0.0
67.054001 12.789
69.07 174.604004
91.054001 22.537001
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121.065002 82.225998
123.080002 59.633999
151.074997 60.674999
173.496994 63.041
179.070007 1211.469971
207.065002 3.191
238.311005 1.119
247.132004 201.608002
311.127014 4.565
324.010986 1.036
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329.138 2.302
354.575989 1.038
357.132996 7.948
END IONS
BEGIN IONS
SCANS=850
PEPMASS=493.259
CHARGE=1
COLLISION_ENERGY=0.0
66.886002 12.22
81.07 13.681
91.054001 33.786999
121.064003 27.312
135.080002 39.902
165.089996 84.485001
173.496994 107.268997
179.070007 78.462997
217.121994 60.571999
229.121994 117.115997
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245.117004 40.361
279.68399 14.255
283.933014 12.69
304.213989 11.623
325.141998 20.355
351.160004 13.512
377.174011 20.771
379.191986 15.185
381.204987 28.896
391.188995 35.085999
409.200012 66.671997
END IONS
BEGIN IONS
SCANS=851
PEPMASS=494.263
CHARGE=1
COLLISION_ENERGY=0.0
75.330002 14.399
80.300003 14.464
92.862999 16.124001
94.330002 15.841
102.600998 14.749
135.052002 311.061005
160.173004 18.082001
163.737 14.647
173.498001 390.138
178.070007 9.964
191.078003 109.679001
229.070999 8.819
300.403992 15.949
325.149994 7.136
369.128998 132.957001
395.181 38.789001
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410.167999 72.158997
424.183014 601.741028
END IONS
BEGIN IONS
SCANS=852
PEPMASS=495.146
CHARGE=1
COLLISION_ENERGY=0.0
62.841999 20.054001
65.519997 13.4
67.415001 14.75
81.07 14.923
92.711998 14.572
118.521004 16.927
135.080002 88.338997
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173.498001 917.179016
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233.153 216.899002
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300.966003 51.994999
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391.050995 12.106
395.082001 48.796001
413.093994 45.165001
431.102997 48.317001
END IONS
BEGIN IONS
SCANS=853
PEPMASS=495.202
CHARGE=1
COLLISION_ENERGY=0.0
79.054001 42.096001
81.07 514.22699
91.054001 22.541
99.080002 277.812012
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165.089996 126.015999
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315.122009 948.275024
341.304993 11.913
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419.088989 3.138
443.001007 2.801
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462.373993 3.411
463.459991 3.196
END IONS
BEGIN IONS
SCANS=854
PEPMASS=495.27499
CHARGE=1
COLLISION_ENERGY=0.0
59.006001 11.616
69.07 94.839996
79.054001 107.822998
91.054001 182.520004
107.084999 145.302994
135.080002 736.190002
165.089996 1494.800049
173.132004 63.202
173.496002 393.316986
179.076996 1178.165039
191.106003 91.223
233.153 1732.196045
263.127014 37.361
301.179993 21.639999
311.127014 24.648001
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381.205994 9.483
397.200012 12.45
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411.214996 4.9
427.210999 8.888
END IONS
BEGIN IONS
SCANS=855
PEPMASS=495.83401
CHARGE=1
COLLISION_ENERGY=0.0
59.305 47.568001
69.906998 41.800999
73.528999 39.687
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176.020996 44.749001
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300.785004 52.006001
357.416992 46.048
389.397003 48.028
END IONS
BEGIN IONS
SCANS=856
PEPMASS=496.422
CHARGE=1
COLLISION_ENERGY=0.0
58.237999 6.148
71.049004 9.144
73.028 5.142
87.043999 13.969
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173.496002 71.832001
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233.153 52.179001
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283.174011 772.213013
304.467987 4.296
336.102997 4.798
337.291992 6.402
375.804993 5.975
399.276001 5.643
END IONS
BEGIN IONS
SCANS=857
PEPMASS=497.21799
CHARGE=1
COLLISION_ENERGY=0.0
71.049004 4.75
83.049004 6.178
85.064003 5.308
99.043999 31.693001
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173.5 8.887
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397.164001 53.617001
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423.179993 50.161999
451.210999 101.663002
461.195007 20.292
END IONS
BEGIN IONS
SCANS=858
PEPMASS=497.21799
CHARGE=1
COLLISION_ENERGY=0.0
61.740002 3.047
79.054001 9.45
91.054001 7.393
93.07 3.374
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317.138 219.602997
332.148987 32.367001
371.220001 9.693
451.210999 9.904
453.226013 7.708
461.196014 4.046
END IONS
BEGIN IONS
SCANS=859
PEPMASS=497.254
CHARGE=1
COLLISION_ENERGY=0.0
69.069 8.26
73.064003 13.995
83.049004 7.933
85.064003 16.860001
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395.18399 119.138
397.200012 81.537003
399.178986 15.724
413.195007 71.682999
449.230988 5.581
467.242004 4.093
END IONS
BEGIN IONS
SCANS=860
PEPMASS=497.28799
CHARGE=1
COLLISION_ENERGY=0.0
58.557999 8.754
59.513 10.233
70.803001 10.262
93.834 9.814
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173.494995 140.479004
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371.217987 758.765991
472.463013 9.919
END IONS
BEGIN IONS
SCANS=861
PEPMASS=497.29001
CHARGE=1
COLLISION_ENERGY=0.0
69.07 18.156
91.054001 21.038
119.084999 35.576
135.080002 33.862999
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165.091003 90.181999
179.100006 1180.748047
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411.21701 68.221001
429.22699 3.853
END IONS
BEGIN IONS
SCANS=862
PEPMASS=499.233
CHARGE=1
COLLISION_ENERGY=0.0
69.07 10.543
73.064003 14.07
83.049004 13.323
85.064003 42.944
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413.195007 38.601002
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469.256989 14.543
END IONS
BEGIN IONS
SCANS=863
PEPMASS=499.26999
CHARGE=1
COLLISION_ENERGY=0.0
59.049 21.972
67.054001 2.826
69.07 1.562
85.064003 22.284
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433.237 21.07
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469.257996 119.418999
END IONS
BEGIN IONS
SCANS=864
PEPMASS=499.26999
CHARGE=1
COLLISION_ENERGY=0.0
79.054001 2.138
91.054001 2.893
97.065002 7.219
99.043999 3.479
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151.074997 28.252001
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433.235992 18.556
END IONS
BEGIN IONS
SCANS=865
PEPMASS=501.20999
CHARGE=1
COLLISION_ENERGY=0.0
59.783001 42.518002
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102.338997 29.714001
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303.118988 147.692001
END IONS
BEGIN IONS
SCANS=866
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CHARGE=1
COLLISION_ENERGY=0.0
59.049 16.120001
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75.805 11.593
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463.684998 14.91
END IONS
BEGIN IONS
SCANS=867
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CHARGE=1
COLLISION_ENERGY=0.0
61.854 31.42
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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81.07 41.278999
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END IONS
BEGIN IONS
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COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
SCANS=876
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CHARGE=1
COLLISION_ENERGY=0.0
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81.069 76.879997
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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84.25 20.059
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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COLLISION_ENERGY=0.0
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END IONS
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END IONS
BEGIN IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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282.125 53.476002
283.131989 29.622999
298.119995 36.421001
313.143005 76.719002
315.158997 167.662003
380.161987 8.242
395.184998 79.731003
397.200012 84.805
413.195007 27.298
415.210999 23.940001
467.242004 2.761
479.242004 71.596001
END IONS
BEGIN IONS
SCANS=889
PEPMASS=515.31897
CHARGE=1
COLLISION_ENERGY=0.0
61.762001 53.748001
81.181999 43.104
115.036003 47.151001
128.828003 56.118
173.494995 574.315002
204.182999 44.858002
222.343994 45.939999
223.102997 43.223999
268.714996 48.844002
301.149994 42.695999
END IONS
BEGIN IONS
SCANS=890
PEPMASS=515.32001
CHARGE=1
COLLISION_ENERGY=0.0
61.074001 51.063999
64.338997 49.408001
72.446999 50.564999
94.203003 48.907001
147.235992 49.888
148.731003 460.006989
173.494003 229.692993
264.352997 60.466999
END IONS
BEGIN IONS
SCANS=891
PEPMASS=515.32001
CHARGE=1
COLLISION_ENERGY=0.0
62.804001 36.675999
63.654999 36.196999
66.517998 39.276001
72.207001 35.999001
111.498001 37.723
165.074005 41.355999
173.498001 546.380005
181.820007 37.257
193.617996 36.784
242.960007 40.312
284.325989 35.729
320.351013 40.372002
END IONS
BEGIN IONS
SCANS=892
PEPMASS=515.32001
CHARGE=1
COLLISION_ENERGY=0.0
68.174004 33.997002
74.137001 37.32
124.074997 66.547997
173.496994 429.205994
175.871994 30.157
180.927002 29.674999
191.192993 37.592999
278.247009 157.612
279.251007 177.891998
END IONS
BEGIN IONS
SCANS=893
PEPMASS=517.28003
CHARGE=1
COLLISION_ENERGY=0.0
59.049 26.514999
67.054001 2.052
85.064003 7.635
105.07 2.84
135.080002 4.035
151.074997 6.204
165.089996 21.601999
173.494003 6.047
179.070007 8.721
217.121994 20.754
267.101013 42.112999
281.117004 53.417999
282.125 89.817001
298.118988 69.473999
311.127014 38.063999
313.143005 62.212002
383.184998 24.382
384.192993 30.725
385.200989 21.219999
397.200012 35.297001
413.195007 46.16
415.210999 117.678001
451.247009 57.166
469.257996 129.371002
481.257996 37.564999
487.268005 38.932999
END IONS
BEGIN IONS
SCANS=894
PEPMASS=517.36798
CHARGE=1
COLLISION_ENERGY=0.0
61.009998 17.799
71.084999 24.783001
72.043999 39.783001
78.037003 28.621
95.084999 34.966999
131.063004 44.714001
132.046997 50.532001
148.731003 41.594002
149.074005 124.693001
173.496994 69.247002
239.237 34.171001
261.125 32.110001
265.540009 12.564
310.273987 92.342003
362.656006 12.479
387.303986 317.431
389.945007 11.255
418.496002 10.916
END IONS
BEGIN IONS
SCANS=895
PEPMASS=519.23798
CHARGE=1
COLLISION_ENERGY=0.0
69.07 18.649
69.255997 13.081
81.07 23.295
85.004997 14.394
95.084999 37.740002
97.073997 14.223
140.848999 15.446
173.496994 301.381989
174.065994 16.695999
175.074005 16.52
189.018005 21.642
203.070007 130.542007
207.494003 15.472
231.617996 13.942
238.406006 15.073
278.894989 12.87
311.091003 34.341
337.070007 65.535004
355.080994 60.743999
375.238007 14.662
451.174988 143.751999
END IONS
BEGIN IONS
SCANS=896
PEPMASS=519.23798
CHARGE=1
COLLISION_ENERGY=0.0
60.830002 1.525
69.07 23.107
78.170998 2.048
121.028 5.135
167.033005 71.323997
173.498993 9.483
186.067001 24.868
189.089996 9.618
195.028 31.929001
201.089996 305.515991
255.136993 49.634998
257.153015 251.298996
269.153015 42.708
283.131989 59.659
325.216003 15.813
334.083008 4.854
349.105988 7.621
351.194 10.028
405.169006 6.867
415.152008 3.761
433.162994 16.927
451.174011 40.866001
482.369995 1.878
END IONS
BEGIN IONS
SCANS=897
PEPMASS=519.25897
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 26.503
79.054001 60.379002
91.054001 30.426001
107.049004 69.283997
109.065002 136.179993
135.044006 64.505997
147.080002 172.203995
153.054001 133.130005
189.126999 65.094002
199.112 38.449001
217.121994 71.880997
235.132996 59.405998
245.117004 25.785
263.127991 39.862
415.174988 6.911
END IONS
BEGIN IONS
SCANS=898
PEPMASS=519.27197
CHARGE=1
COLLISION_ENERGY=0.0
73.888 28.396999
78.702003 20.881001
79.054001 24.138
91.054001 31.499001
107.084999 41.542
135.080002 441.48999
153.091003 73.952003
165.091003 1083.661987
173.496994 439.028992
187.072998 141.899994
217.046997 44.421001
240.660995 17.872
273.145996 152.296005
285.109009 72.343002
287.125 15.505
295.070007 19.764999
351.119995 3.892
381.131012 33.992001
382.138 27.973
449.195007 4.186
450.200989 115.250999
451.209015 42.257999
END IONS
BEGIN IONS
SCANS=899
PEPMASS=521.25403
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 152.042999
79.054001 56.293999
81.061996 362.778992
95.084999 516.297974
123.075996 255.871994
151.074997 158.789993
167.033005 36.202
173.498001 469.143005
177.078003 112.938004
193.048996 26.745001
203.070007 62.521999
267.101013 37.782001
285.112 184.298996
309.221985 154.029007
311.091003 59.914001
313.105988 199.382004
329.101013 80.579002
355.117004 153.218002
407.184998 77.248001
435.179993 185.746994
436.183014 33.417999
453.19101 836.258972
454.192993 199.115005
465.188995 20.736
END IONS
BEGIN IONS
SCANS=900
PEPMASS=521.28802
CHARGE=1
COLLISION_ENERGY=0.0
60.283001 12.596
75.678001 13.166
89.660004 12.512
123.128998 15.768
135.080002 16.061001
136.074997 72.238998
165.089996 113.415001
173.496994 272.471008
187.072006 378.183014
201.050995 159.526993
203.067001 172.968994
219.061996 172.227997
259.128998 16.252001
271.128998 116.221001
273.144989 47.250999
287.123993 81.183998
347.898987 9.111
383.145996 99.261002
384.153992 37.612
385.161011 50.041
407.179993 20.454
437.192993 39.23
END IONS
BEGIN IONS
SCANS=901
PEPMASS=522.16699
CHARGE=2
COLLISION_ENERGY=0.0
85.064003 6.218
88.841003 3.483
95.084999 5.588
95.316002 2.979
123.080002 5.789
151.074997 9.146
173.498001 44.592999
195.065002 50.466
207.063995 16.365999
217.121994 23.437
219.063995 38.668999
261.110992 85.878998
279.122009 85.397003
285.07901 30.763
303.089996 34.855999
347.079987 72.698997
365.096985 266.276001
365.598999 46.379002
374.102997 42.888
374.605011 10.707
425.095001 4.765
451.072998 65.752998
452.075989 4.512
469.083008 35.561001
625.195984 3.716
650.44397 3.117
END IONS
BEGIN IONS
SCANS=902
PEPMASS=522.30603
CHARGE=1
COLLISION_ENERGY=0.0
69.069 11.801
91.054001 98.959999
93.07 232.522995
95.049004 61.68
105.069 14.155
147.080002 306.677002
173.5 89.640999
189.126999 178.024994
199.110992 101.945
217.121994 252.884003
235.132004 237.565002
245.117004 72.633003
263.127014 222.283005
274.143005 7.031
311.199005 2.877
312.20401 3.349
322.382996 1.441
375.212006 2.124
383.18399 6.27
END IONS
BEGIN IONS
SCANS=903
PEPMASS=522.35797
CHARGE=1
COLLISION_ENERGY=0.0
70.065002 38.532001
81.07 7.485
91.054001 44.626999
93.07 71.924004
95.084999 36.174
136.074997 74.091003
146.095993 73.612999
154.158997 103.628998
165.089996 95.007004
173.498993 92.919998
179.070007 125.600998
244.205002 89.667
246.220993 792.078003
258.221008 29.921
274.216003 60.443001
276.231995 125.885002
288.231995 33.101002
338.424988 4.912
338.705994 5.081
344.959015 4.458
355.119995 5.943
396.287994 39.285999
401.778992 4.751
420.669006 5.304
424.283997 19.222
426.299011 16.344999
END IONS
BEGIN IONS
SCANS=904
PEPMASS=523.27002
CHARGE=1
COLLISION_ENERGY=0.0
79.054001 6.764
81.07 23.42
92.780998 6.916
95.084999 11.985
99.080002 8.076
107.084999 7.422
163.037994 72.244003
165.089996 295.040985
173.494003 80.204002
189.018005 70.933998
207.028 31.068001
257.117004 30.290001
285.112 10.716
287.127014 11.624
303.122986 254.197006
315.122009 13.007
367.28299 6.158
371.184998 28.931999
409.213013 7.003
END IONS
BEGIN IONS
SCANS=905
PEPMASS=523.28101
CHARGE=1
COLLISION_ENERGY=0.0
71.511002 3.452
74.594002 3.589
91.054001 94.419998
97.891998 3.509
105.069 23.687
148.731003 17.535999
151.074997 7.258
173.5 17.601999
177.054001 7.806
205.072006 7.476
219.136993 7.852
280.096985 5.244
281.104004 13.607
294.112 7.365
295.118988 8.143
296.127014 284.238007
330.207001 8.311
364.190002 389.557007
392.184998 79.288002
401.993988 3.399
408.317993 3.193
487.335999 3.468
END IONS
BEGIN IONS
SCANS=906
PEPMASS=523.30402
CHARGE=1
COLLISION_ENERGY=0.0
63.146 2.11
68.286003 10.938
70.030998 1.557
91.271004 1.619
105.872002 2.006
133.809006 1.617
135.080002 2.082
173.496002 52.667
176.876999 1.658
214.916 1.752
216.751999 2.141
234.279999 1.654
271.966003 1.862
273.144989 1874.521973
291.156006 13.196
314.171997 7.754
340.156006 1.771
347.083008 2.136
353.213989 2.691
443.837006 2.432
END IONS
BEGIN IONS
SCANS=907
PEPMASS=524.37299
CHARGE=1
COLLISION_ENERGY=0.0
79.054001 28.382
81.07 20.933001
91.054001 31.18
95.084999 19.771
105.069 26.652
119.084999 27.237
173.496994 189.785995
194.080994 108.557999
206.080994 144.854996
258.112 27.257
262.143005 36.507
270.112 52.931999
271.118988 31.164
272.127014 26.917
274.143005 73.740997
397.321991 9.182
436.283997 9.546
438.299988 59.051998
494.363007 76.348999
END IONS
BEGIN IONS
SCANS=908
PEPMASS=525.23499
CHARGE=1
COLLISION_ENERGY=0.0
70.065002 35.762001
81.07 32.342999
82.052002 10.047
95.084999 11.482
110.070999 127.402
148.731003 17.627001
162.102005 18.326
167.033005 260.657013
173.498001 40.701
195.028 96.466003
235.117996 342.417999
321.005005 6.769
END IONS
BEGIN IONS
SCANS=909
PEPMASS=525.35797
CHARGE=1
COLLISION_ENERGY=0.0
69.069 17.927999
79.054001 21.158001
93.07 19.871
97.064003 37.965
135.080002 60.733002
139.074997 50.237999
165.089996 193.350006
173.498993 123.603996
189.089996 36.939999
203.106003 30.124001
233.153 166.253998
261.18399 19.136999
271.167999 11.982
287.200012 28.777
311.200012 21.157
325.216003 9.199
327.233002 10.706
363.730011 8.453
384.028992 6.916
421.273987 14.28
439.283997 33.898998
457.295013 40.662998
463.115997 8.224
END IONS
BEGIN IONS
SCANS=910
PEPMASS=526.02301
CHARGE=1
COLLISION_ENERGY=0.0
79.054001 13.958
81.069 50.797001
86.816002 14.886
90.065002 13.163
95.084999 24.280001
172.673004 17.827
173.494995 138.005997
235.975998 40.991001
247.975998 21.511
248.983002 22.563999
263.0 38.640999
263.971008 29.466
281.980988 61.244999
316.039001 26.482
344.033997 21.313999
368.837006 14.956
380.054993 176.209
390.022003 83.347
408.032013 72.324997
432.049011 42.729
450.059998 34.506001
462.006012 40.796001
END IONS
BEGIN IONS
SCANS=911
PEPMASS=526.125
CHARGE=1
COLLISION_ENERGY=0.0
61.903999 10.82
66.908997 8.753
89.058998 12.668
116.984001 17.437
131.0 33.744999
143.0 35.805
170.994995 35.089001
173.496002 300.618988
174.988998 45.854
189.005005 69.297997
225.041 31.641001
239.057007 21.820999
248.475006 9.039
250.072006 9.115
327.200012 31.582001
337.166992 278.076996
339.161987 17.051001
393.088013 10.455
433.746002 10.589
475.72699 10.54
END IONS
BEGIN IONS
SCANS=912
PEPMASS=526.43201
CHARGE=1
COLLISION_ENERGY=0.0
81.537003 6.133
84.332001 5.412
87.043999 17.783001
87.405998 5.404
89.058998 790.911987
133.085007 507.643005
173.498001 225.873993
177.110992 137.848007
179.070007 6.96
195.121994 2.337
221.136993 38.821999
239.147995 23.117001
262.894012 3.97
271.82901 3.563
283.174988 23.792
327.200989 1135.409058
329.567993 6.104
338.842987 5.746
351.316986 5.193
358.778015 3.646
396.260986 5.396
405.212006 2.749
419.411987 6.211
END IONS
BEGIN IONS
SCANS=913
PEPMASS=527.22803
CHARGE=1
COLLISION_ENERGY=0.0
69.07 10.298
73.064003 10.007
91.054001 14.731
99.043999 15.066
101.058998 59.860001
121.064003 17.32
135.080002 30.337
151.074997 25.664
165.089996 91.443001
173.496994 37.006001
179.070007 208.085007
193.085007 19.299999
205.121994 19.809
268.109009 29.004999
269.117004 32.801998
279.122009 76.442001
283.131989 27.764999
299.127014 36.937
301.143005 27.941
367.190002 25.207001
381.188995 34.917
395.18399 13.35
423.179993 34.727001
451.210999 26.615999
461.196014 10.936
479.205994 35.594002
481.259003 9.655
END IONS
BEGIN IONS
SCANS=914
PEPMASS=527.26398
CHARGE=1
COLLISION_ENERGY=0.0
65.525002 25.138
71.248001 25.833
91.054001 38.082001
101.058998 150.485992
135.080002 225.658005
165.089996 461.411987
173.498001 1084.364014
179.070007 623.330994
181.085007 193.513
195.063995 149.421005
233.153 83.035004
247.130005 98.408997
265.143005 111.378998
279.122009 65.987999
285.109009 75.681
311.127014 35.076
313.143005 63.779999
397.200012 7.323
413.195007 18.177
425.195007 10.878
425.480988 20.919001
467.242004 6.497
479.242004 4.521
END IONS
BEGIN IONS
SCANS=915
PEPMASS=529.28003
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 7.949
69.07 3.611
85.065002 15.75
105.07 4.793
121.064003 6.13
135.080002 6.256
165.091003 13.19
173.498993 13.736
179.070007 42.672001
189.089996 7.698
231.138 22.778
247.132004 34.037998
281.127991 81.273003
282.125 34.984001
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324.13501 38.499001
325.143005 64.059998
379.190002 20.594
397.200989 19.794001
421.200989 17.799999
427.210999 364.937988
429.22699 24.497999
465.263 62.730999
483.273987 28.287001
493.257996 19.072001
501.283997 3.556
END IONS
BEGIN IONS
SCANS=916
PEPMASS=529.28003
CHARGE=1
COLLISION_ENERGY=0.0
69.07 54.570999
83.028999 13.734
101.058998 35.57
121.064003 54.014999
135.080002 156.731003
151.074997 113.011002
165.091003 387.971985
173.496994 129.990997
179.070999 553.424011
181.085007 217.483994
233.153 73.708
251.164001 43.903999
293.138 84.244003
299.127014 162.302002
301.143005 216.565994
311.127991 223.591003
313.143005 163.423996
315.158997 162.391006
367.190002 117.211998
381.205994 70.306999
395.184998 134.281998
397.200012 52.027
413.196014 189.024002
443.205994 69.799004
463.247009 94.460999
481.251007 38.497002
END IONS
BEGIN IONS
SCANS=917
PEPMASS=531.27502
CHARGE=1
COLLISION_ENERGY=0.0
69.032997 6.984
91.054001 80.889
105.07 7.576
117.069 27.709999
119.084999 1482.11499
133.063995 166.285004
172.188004 3.577
173.496994 117.555
181.085007 3.264
235.147003 11.311
243.100998 10.894
243.520996 2.154
261.110992 3.149
263.127014 19.351
307.117004 13.383
335.734985 2.013
340.165985 3.151
348.769012 3.422
394.69101 1.965
397.200989 13.489
411.178986 13.96
END IONS
BEGIN IONS
SCANS=918
PEPMASS=531.36603
CHARGE=1
COLLISION_ENERGY=0.0
71.262001 39.451
78.209999 41.139
88.505997 45.102001
96.509003 40.997002
148.733002 390.016998
173.494003 237.024994
195.098999 79.875999
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286.987 51.351002
END IONS
BEGIN IONS
SCANS=919
PEPMASS=533.25201
CHARGE=1
COLLISION_ENERGY=0.0
63.470001 21.013
63.952999 24.073
64.538002 8.346
68.898003 21.931999
91.003998 28.959999
106.537003 24.441999
134.072006 48.971001
164.082001 264.429993
173.498001 1777.074951
179.069 154.457001
201.050995 95.862
217.046005 1062.281006
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285.109009 932.096008
287.125 1102.699951
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347.825012 6.307
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419.14801 7.469
463.171997 185.022995
464.178986 293.730011
END IONS
BEGIN IONS
SCANS=920
PEPMASS=533.38202
CHARGE=1
COLLISION_ENERGY=0.0
64.210999 31.403
69.877998 32.055
80.616997 31.224001
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120.5 31.24
128.335999 31.704
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283.529999 30.096001
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433.644989 37.859001
END IONS
BEGIN IONS
SCANS=921
PEPMASS=533.38202
CHARGE=1
COLLISION_ENERGY=0.0
63.676998 37.146
63.966 35.054001
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125.496002 40.207001
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173.496994 652.276001
218.690002 37.373001
END IONS
BEGIN IONS
SCANS=922
PEPMASS=534.36499
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 164.617004
81.069 250.759003
93.069 68.003998
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109.100998 106.521004
161.132004 47.145
173.498001 237.664993
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265.252014 2.913
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371.256989 33.125999
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441.384003 3.673
END IONS
BEGIN IONS
SCANS=923
PEPMASS=535.23297
CHARGE=1
COLLISION_ENERGY=0.0
64.987999 4.422
66.317001 5.012
67.054001 5.748
79.176003 4.831
96.167 4.567
167.033005 161.130005
173.498001 75.890999
195.028 104.126999
201.089996 211.285995
257.153015 119.581001
267.136993 39.483002
279.085999 26.115
323.200012 169.304993
374.255005 5.29
433.164001 6.942
END IONS
BEGIN IONS
SCANS=924
PEPMASS=535.26703
CHARGE=1
COLLISION_ENERGY=0.0
62.550999 28.569
64.656998 29.618999
69.085999 18.341999
106.085999 32.057999
107.086998 43.921001
121.064003 65.375
135.080002 353.946014
165.089996 847.208984
173.496002 947.950989
181.085007 372.191986
217.046005 568.906982
219.061996 583.388977
221.078003 334.174988
285.109009 492.917999
287.125 1138.360962
289.140015 3507.739014
301.104004 112.237
367.11499 39.317001
382.139008 36.490002
397.125 394.039001
398.132996 457.062988
399.140991 49.634998
421.161011 97.693001
465.187988 90.386002
466.195007 1092.500977
467.203003 186.479996
477.359009 2.831
END IONS
BEGIN IONS
SCANS=925
PEPMASS=535.26703
CHARGE=1
COLLISION_ENERGY=0.0
70.065002 21.302999
71.306 25.379999
88.074997 54.875
88.431999 23.870001
106.085999 289.09201
107.088997 35.066002
145.932007 22.996
171.005005 21.503
173.5 235.589005
184.863007 21.136999
235.990005 21.535
250.419006 22.459
287.127014 26.912001
289.151001 150.479996
449.260986 27.802999
END IONS
BEGIN IONS
SCANS=926
PEPMASS=535.29102
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 2.373
69.07 1.278
85.064003 4.364
151.074997 7.518
165.089996 8.024
173.498001 9.29
175.074997 11.098
179.070007 27.118
219.136993 17.054001
233.115997 46.824001
268.109009 44.27
282.123993 37.382
284.104004 33.903999
298.118988 32.219002
299.127014 61.356998
365.174011 24.773001
367.190002 23.483999
383.184998 30.417
385.200012 18.778
397.200012 27.518
433.235992 20.872
451.247009 220.434006
469.256989 193.901993
487.268005 64.833
499.268005 8.247
END IONS
BEGIN IONS
SCANS=927
PEPMASS=536.23297
CHARGE=2
COLLISION_ENERGY=0.0
91.107002 2.513
135.117004 3.617
147.044006 5.089
153.128006 6.755
173.496002 58.595001
195.065994 52.186001
207.033997 23.242001
225.044998 29.969
251.024994 9.435
269.035004 32.928001
287.04599 21.497999
312.085999 16.246
326.10199 7.958
327.109009 8.426
359.135986 12.691
385.115997 20.839001
400.110992 70.472
403.126007 19.444
429.105988 92.417
445.084015 69.074997
447.117004 89.380997
463.095001 59.191002
497.169006 17.754
513.146973 19.485001
579.174988 9.764
605.155029 26.851
606.156982 7.181
623.166016 45.051998
624.164978 6.724
673.21698 29.677999
674.218018 5.257
691.228027 38.294998
692.22998 8.66
741.281006 37.43
742.280029 8.248
759.291992 27.653
END IONS
BEGIN IONS
SCANS=928
PEPMASS=536.28601
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 69.792999
71.818001 8.076
79.054001 110.335999
91.054001 11.782
107.049004 140.720001
109.065002 348.018005
135.044006 173.522995
147.080002 277.255005
153.054001 382.329987
171.065002 109.829002
189.126999 225.957001
217.121994 253.106003
235.132004 222.785004
245.117004 95.262001
263.127014 304.355988
281.138 27.486
304.153992 28.392
332.148987 12.278
358.234009 6.818
365.252014 1.368
389.485992 6.992
397.162994 1.819
415.174011 49.085999
END IONS
BEGIN IONS
SCANS=929
PEPMASS=536.323
CHARGE=1
COLLISION_ENERGY=0.0
66.481003 3.411
70.065002 99.426003
88.074997 206.919006
106.085999 1594.051025
148.731003 10.646
173.498001 52.612
181.085007 10.247
212.378006 2.223
223.192001 1.981
229.380005 2.088
256.164001 1.953
278.787994 2.996
312.894012 2.458
391.290009 2.312
END IONS
BEGIN IONS
SCANS=930
PEPMASS=536.38
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 45.536999
69.07 47.303001
81.069 61.651001
83.084999 48.032001
95.084999 70.877998
121.100998 57.890999
135.115997 55.481998
173.496994 102.037003
223.617004 7.026
247.240997 51.132
265.252014 141.175003
283.261993 19.642
339.289001 114.007004
355.263 9.211
357.299988 93.290001
373.27301 14.418
391.285004 22.743
409.294006 38.546001
END IONS
BEGIN IONS
SCANS=931
PEPMASS=537.21301
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 5.421
79.054001 14.62
81.07 152.287003
95.084999 36.174999
99.080002 109.772003
165.091003 22.992001
167.033005 25.976
173.494003 25.542
179.070007 116.264
201.089996 83.500999
215.033005 26.723
243.028 78.275002
257.153015 65.929001
261.039001 6.945
291.122009 41.115002
337.105988 3.878
351.122986 4.976
357.132996 109.713997
379.117004 19.434999
381.096008 7.896
421.127014 5.237
439.138 2.815
451.174988 2.885
464.092987 2.214
469.184998 5.228
END IONS
BEGIN IONS
SCANS=932
PEPMASS=537.25098
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 17.237
69.028999 23.423
81.063004 66.263
95.084999 38.618999
139.074997 38.773998
173.492996 63.553001
201.052002 272.369995
203.067993 499.164001
219.061996 297.332001
221.078003 72.320999
261.110992 43.542999
287.125 133.134003
289.11499 344.300995
311.091003 88.403999
329.101013 45.839001
337.070007 109.93
355.080994 61.252998
399.140991 44.337002
400.14801 46.735001
401.156006 35.987
423.177002 15.839
451.174011 287.355011
465.574005 8.047
468.210999 52.443001
END IONS
BEGIN IONS
SCANS=933
PEPMASS=537.24902
CHARGE=1
COLLISION_ENERGY=0.0
69.07 15.685
79.054001 10.913
81.07 202.889008
95.084999 52.313999
99.080002 134.509003
167.033005 69.839996
173.498001 74.753998
179.070007 190.729996
201.089996 401.350006
243.028 63.330002
257.153015 339.652008
269.153015 24.608
275.164001 32.516998
291.122009 64.141998
325.216003 9.932
343.213989 8.232
351.122009 3.377
357.132996 145.348999
379.117004 25.899
381.096985 5.709
433.165009 2.825
439.139008 2.723
451.174988 11.653
END IONS
BEGIN IONS
SCANS=934
PEPMASS=537.24902
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 13.085
69.07 3.516
81.07 25.068001
111.043999 6.283
121.028 7.523
151.074997 125.811996
167.033005 338.566986
189.089996 34.195999
201.089996 376.269989
205.085007 94.675003
217.085007 87.126999
257.153015 337.037994
259.131989 90.156998
273.14801 74.189003
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321.112 11.555
333.110992 3.353
377.101013 4.246
387.160004 4.664
388.145996 4.796
415.153992 11.748
423.178986 17.655001
433.164001 45.334999
451.174011 47.685001
END IONS
BEGIN IONS
SCANS=935
PEPMASS=537.28302
CHARGE=1
COLLISION_ENERGY=0.0
60.368999 14.321
67.054001 21.878
69.113998 22.997
79.054001 15.315
81.07 40.514999
95.084999 81.390999
123.080002 41.418999
173.496994 530.025024
201.052002 378.143005
203.067993 971.426025
219.061996 763.916992
221.078003 164.757996
271.128998 57.188999
287.125 355.851013
289.140015 441.424011
311.091003 90.130997
337.070007 194.369995
355.080994 113.947998
399.140991 116.172997
400.148987 108.185997
401.156006 81.212997
451.178009 456.455994
468.210999 105.933998
469.200012 342.29599
487.263 8.394
END IONS
BEGIN IONS
SCANS=936
PEPMASS=538.25299
CHARGE=0
COLLISION_ENERGY=0.0
66.18 4.646
67.403999 5.036
81.063004 28.524
95.084999 37.959
117.181 5.159
123.080002 5.254
148.729996 71.442001
173.498001 81.219002
201.052002 98.688004
203.067993 300.356995
204.072006 172.210999
219.061996 217.188004
220.065994 107.677002
287.125 66.431
288.127991 76.496002
289.140015 48.507999
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338.072998 75.165001
356.084015 46.5
400.145996 44.261002
401.153015 45.862999
402.160004 35.028
424.181 21.948999
452.178009 234.020996
469.216003 56.419998
END IONS
BEGIN IONS
SCANS=937
PEPMASS=538.396
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 37.049
71.084999 66.82
81.069 48.821999
85.028 36.584
95.084999 87.650002
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156.138 34.312
165.089996 18.67
173.496002 116.487999
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287.125 18.714001
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341.303986 22.073
357.298004 8.647
359.31601 10.67
373.009003 6.938
411.30899 75.334
429.321014 286.822998
END IONS
BEGIN IONS
SCANS=938
PEPMASS=539.203
CHARGE=1
COLLISION_ENERGY=0.0
81.07 23.834999
95.032997 63.574001
113.033997 62.835999
148.729004 36.331001
167.033005 253.334
173.498001 39.247002
195.028 39.292
213.065002 88.384003
216.052002 28.440001
231.076004 344.854004
319.319 5.964
370.304993 6.709
477.200012 7.2
END IONS
BEGIN IONS
SCANS=939
PEPMASS=539.22803
CHARGE=1
COLLISION_ENERGY=0.0
91.054001 10.13
93.07 12.298
95.084999 12.638
99.043999 30.483999
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123.080002 23.625999
151.074997 24.052
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179.070007 332.123993
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263.127014 19.358999
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283.131989 18.944
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393.169006 9.916
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409.164001 8.402
411.178986 21.658001
441.190002 13.19
465.225006 12.813
493.221008 14.899
507.199005 7.941
END IONS
BEGIN IONS
SCANS=940
PEPMASS=539.26501
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 28.232
79.054001 32.41
81.066002 203.479004
95.084999 129.166
99.080002 63.972
165.089996 426.373993
167.033005 211.462006
173.494995 133.460999
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181.070007 77.25
195.028 53.049999
233.153 19.174999
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285.110992 167.270004
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330.205994 40.307999
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355.117004 19.382
407.184998 39.919998
427.209991 21.497999
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453.190002 576.010986
END IONS
BEGIN IONS
SCANS=941
PEPMASS=539.32001
CHARGE=1
COLLISION_ENERGY=0.0
82.128998 42.533001
84.946999 39.271
89.348 38.584
96.259003 46.807999
148.731995 306.009003
164.324005 48.084
173.498001 262.649994
185.041 51.657001
201.604996 40.362
222.792007 42.463001
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258.067993 43.467999
END IONS
BEGIN IONS
SCANS=942
PEPMASS=539.32001
CHARGE=1
COLLISION_ENERGY=0.0
68.302002 41.887001
93.623001 32.096001
96.804001 36.854
100.058998 34.23
104.400002 32.819
151.917007 37.619999
173.496994 658.968018
202.272003 37.702999
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289.140015 46.75
END IONS
BEGIN IONS
SCANS=943
PEPMASS=539.35101
CHARGE=1
COLLISION_ENERGY=0.0
61.161999 20.975
71.008003 10.48
81.069 15.271
84.124001 10.681
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179.069 91.325996
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295.221985 11.44
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453.282013 92.447998
465.274994 40.372002
468.502014 17.128
471.292999 86.161003
491.328003 14.753
493.347992 25.450001
END IONS
BEGIN IONS
SCANS=944
PEPMASS=540.224
CHARGE=1
COLLISION_ENERGY=0.0
79.054001 20.919001
91.054001 25.712999
105.069 13.92
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173.496002 46.915001
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206.080994 6.038
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246.074997 9.694
250.070007 3.809
276.231995 103.153
308.075012 3.695
340.320007 3.325
340.664001 3.041
END IONS
BEGIN IONS
SCANS=945
PEPMASS=540.36902
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 8.649
93.07 11.94
109.065002 27.542
121.064003 51.081001
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338.231995 30.482
341.25 6.742
384.643005 2.276
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426.299988 107.332001
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454.295013 124.440002
472.306 46.866001
END IONS
BEGIN IONS
SCANS=946
PEPMASS=540.44702
CHARGE=1
COLLISION_ENERGY=0.0
65.912003 11.472
89.058998 678.382996
133.085007 423.718994
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340.539001 11.357
END IONS
BEGIN IONS
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PEPMASS=541.24103
CHARGE=1
COLLISION_ENERGY=0.0
74.891998 10.284
81.643997 11.214
90.046997 10.321
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END IONS
BEGIN IONS
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PEPMASS=541.31403
CHARGE=0
COLLISION_ENERGY=0.0
61.82 23.291
90.117996 17.549999
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173.5 93.533997
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END IONS
BEGIN IONS
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COLLISION_ENERGY=0.0
71.416 48.437
74.289001 48.337002
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END IONS
BEGIN IONS
SCANS=950
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CHARGE=1
COLLISION_ENERGY=0.0
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90.764999 21.469999
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END IONS
BEGIN IONS
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COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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PEPMASS=543.12903
CHARGE=1
COLLISION_ENERGY=0.0
61.011002 6.821
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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85.065002 41.671001
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END IONS
BEGIN IONS
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CHARGE=2
COLLISION_ENERGY=0.0
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498.209991 16.174
503.213989 18.507999
639.142029 27.153999
689.192993 18.983
707.20697 30.562
757.26001 31.358999
END IONS
BEGIN IONS
SCANS=956
PEPMASS=544.36401
CHARGE=1
COLLISION_ENERGY=0.0
69.07 17.514999
79.054001 23.368
91.054001 16.884001
93.112999 3.287
107.084999 35.478001
135.080002 341.455994
153.089996 98.289001
165.091003 1851.598999
173.496994 122.417
181.085007 168.136002
223.110992 4.367
233.153 7.895
255.136993 37.097
268.108002 14.322
283.132996 21.319
309.497009 3.293
313.421997 0.977
315.158997 198.593994
383.222992 8.222
END IONS
BEGIN IONS
SCANS=957
PEPMASS=544.40002
CHARGE=1
COLLISION_ENERGY=0.0
69.07 34.186001
79.054001 26.129
81.07 19.75
93.07 21.667999
95.084999 9.809
151.074997 64.650002
173.501999 22.370001
179.061005 106.167
192.065002 143.992004
194.080994 423.552002
206.080994 85.893997
236.091003 795.47699
272.067993 7.219
273.071014 16.360001
302.042999 6.194
304.153992 5.344
362.911011 6.153
373.713989 3.074
376.18399 3.323
393.315002 5.177
399.631989 5.992
428.31601 41.643002
440.315002 100.074997
441.248993 5.802
455.321991 5.697
458.325012 8.342
END IONS
BEGIN IONS
SCANS=958
PEPMASS=545.14502
CHARGE=1
COLLISION_ENERGY=0.0
62.743 8.397
70.972 5.816
72.942001 5.924
77.200996 5.24
79.501999 6.318
137.570007 5.628
138.373993 5.756
162.031006 15.49
173.496994 317.136993
190.026001 55.912998
218.020004 162.901993
236.031006 82.167
244.072006 347.554993
259.05899 96.921997
272.066986 1421.100952
274.083008 278.748993
306.673004 5.775
330.17099 4.907
358.398987 4.555
401.065002 44.583
415.079987 3.362
443.075989 16.731001
457.13501 34.707001
475.136993 2.824
END IONS
BEGIN IONS
SCANS=959
PEPMASS=545.27502
CHARGE=1
COLLISION_ENERGY=0.0
64.722 9.422
83.012001 11.162
93.07 14.251
95.084999 11.364
121.064003 24.257
135.080002 46.055
148.729996 33.509998
151.074997 33.571999
165.089996 52.243
179.070007 159.472
181.085007 78.890999
249.147995 65.830002
263.127014 22.378
267.158997 109.699997
281.138 161.826996
311.127991 31.054001
313.143005 17.820999
327.122986 14.688
341.139008 10.751
364.019989 12.458
395.184998 20.938999
413.195007 22.440001
443.204987 13.445
END IONS
BEGIN IONS
SCANS=960
PEPMASS=547.15997
CHARGE=1
COLLISION_ENERGY=0.0
67.473999 10.002
69.421997 8.457
83.569 8.541
94.902 9.608
96.556 8.724
130.403 10.403
173.496994 113.374001
190.026001 36.297001
201.054001 31.608
218.020004 129.367996
219.028 40.466
259.05899 83.679001
274.083008 369.274994
311.204987 9.948
343.220001 9.972
345.867004 8.924
347.015015 10.335
358.839996 8.926
417.02301 13.534
424.365997 20.566999
429.059998 10.794
477.117004 12.105
491.096985 35.091
END IONS
BEGIN IONS
SCANS=961
PEPMASS=547.23102
CHARGE=1
COLLISION_ENERGY=0.0
61.618999 4.127
66.688004 12.8
70.984001 24.1
95.147003 23.066999
106.085999 125.279999
173.057007 177.970001
173.496002 739.328979
179.070007 45.699001
202.059006 128.223007
216.039001 21.857
217.050995 197.727005
274.082001 31.992001
283.092987 48.637001
285.100006 106.069
299.088989 562.310974
301.104004 381.535004
313.653992 11.216
339.747986 2.6
413.794006 2.632
436.755005 2.18
440.320007 4.363
477.151001 29.881001
478.160004 1232.479004
END IONS
BEGIN IONS
SCANS=962
PEPMASS=547.29102
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 5.632
83.012001 2.956
85.065002 18.523001
105.07 14.721
135.080002 30.341
137.095993 20.318001
165.091003 67.738998
173.5 18.976999
179.070007 139.617004
249.147995 18.99
253.121994 69.492996
281.127991 188.393997
282.125 102.028999
283.131989 22.941999
311.127991 75.884003
313.143005 72.244003
348.17099 24.320999
366.183014 57.971001
379.190002 109.955002
397.200989 115.438004
427.210999 153.835999
445.221985 33.841
465.263 394.109009
483.273987 173.445999
501.283997 53.611
END IONS
BEGIN IONS
SCANS=963
PEPMASS=547.32703
CHARGE=1
COLLISION_ENERGY=0.0
81.07 44.933998
93.07 40.598
95.084999 53.191002
107.084999 56.296001
119.084999 40.666
147.115997 37.695999
159.115997 27.559
201.162994 20.716
215.179001 23.157
231.136993 22.323999
267.209991 5.931
321.256989 10.961
337.252014 14.039
339.268005 13.672
349.252014 35.676998
367.263 101.793999
385.27301 411.457001
511.31601 0.559
520.723999 0.594
521.317017 0.538
END IONS
BEGIN IONS
SCANS=964
PEPMASS=549.24701
CHARGE=0
COLLISION_ENERGY=0.0
61.026001 139.404007
61.236 31.666
66.570999 80.013
67.406998 23.231001
113.413002 32.243
136.576996 24.773001
148.733994 195.102005
173.498993 833.567017
181.085007 46.645
217.046005 182.229004
220.070007 32.125999
220.929993 28.833
249.927994 33.639999
285.109009 31.77
303.118988 41.282001
350.088989 22.721001
353.02301 22.945
410.194 33.356998
428.266998 24.014999
END IONS
BEGIN IONS
SCANS=965
PEPMASS=551.24103
CHARGE=1
COLLISION_ENERGY=0.0
66.556 74.278999
68.282997 41.446999
104.551003 36.181999
115.831001 37.129002
122.116997 38.647999
141.218994 37.932999
173.498993 588.133972
214.102997 34.223999
247.300003 36.557999
288.053986 39.297001
END IONS
BEGIN IONS
SCANS=966
PEPMASS=551.24103
CHARGE=1
COLLISION_ENERGY=0.0
61.248001 32.061001
67.235001 34.033001
77.302002 31.438999
110.516998 31.822001
128.108994 37.882
137.453003 35.839001
173.498001 504.143005
174.979996 33.019001
188.610992 29.48
209.651993 33.833
244.272995 39.314999
254.507996 32.104
261.489014 32.319
290.333008 30.763
END IONS
BEGIN IONS
SCANS=967
PEPMASS=551.24103
CHARGE=1
COLLISION_ENERGY=0.0
61.209999 196.964005
73.208 41.280998
90.970001 42.790001
96.825996 38.422001
112.564003 37.957001
173.496994 264.821014
174.940994 47.402
187.985992 41.688
224.462997 43.365002
268.072998 45.761002
408.832001 40.477001
482.17099 63.641998
483.177002 54.729
531.799011 40.701
END IONS
BEGIN IONS
SCANS=968
PEPMASS=551.242
CHARGE=1
COLLISION_ENERGY=0.0
68.335999 21.334
69.996002 38.414001
71.827003 18.934999
74.749001 18.799
144.649002 19.871
147.621002 18.155001
158.078003 21.08
173.498001 705.731018
196.960007 18.362
222.559998 21.447001
236.091003 24.167
268.621002 19.452
303.412994 19.320999
322.588013 17.059999
END IONS
BEGIN IONS
SCANS=969
PEPMASS=551.242
CHARGE=1
COLLISION_ENERGY=0.0
70.737 33.512001
90.700996 33.687
100.822998 34.813
118.634003 34.109001
123.508003 35.382
138.246002 33.396
173.496002 654.422974
316.63501 34.539001
321.179993 39.207001
454.138 36.727001
END IONS
BEGIN IONS
SCANS=970
PEPMASS=551.26202
CHARGE=1
COLLISION_ENERGY=0.0
61.081001 9.726
61.25 1307.484009
61.481998 68.554001
70.082001 21.815001
81.044998 20.874001
121.064003 58.064999
151.074997 156.806
173.496994 3250.961914
181.085007 610.395996
217.046005 1051.82605
219.061996 803.578003
220.070999 565.65802
221.078003 581.562988
285.109009 1856.203979
287.125 702.807983
289.140015 2921.009033
301.104004 1334.875977
303.119995 1632.21106
305.13501 2055.029053
367.11499 14.111
397.125 356.21701
398.132996 341.167999
399.136993 83.938004
465.187988 76.065002
466.195007 225.770996
467.184998 180.548996
481.183014 65.675003
482.190002 1508.819946
483.197998 192.069
END IONS
BEGIN IONS
SCANS=971
PEPMASS=551.37097
CHARGE=1
COLLISION_ENERGY=0.0
68.831001 14.105
88.838997 13.306
109.064003 32.111
121.064003 37.678001
135.080002 42.271999
151.074997 133.449005
153.089996 101.107002
173.498001 659.606018
181.085007 849.125
187.582993 13.106
209.824997 8.811
216.322006 7.499
218.873001 11.25
372.920013 8.23
425.230988 20.233999
END IONS
BEGIN IONS
SCANS=972
PEPMASS=552.26001
CHARGE=1
COLLISION_ENERGY=0.0
61.361 25.000999
67.054001 5.073
81.07 56.355
95.084999 43.383999
123.055 50.901001
173.498993 81.484001
194.080994 602.221008
195.084 89.767998
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262.143005 269.123993
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274.143005 38.985001
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360.216003 19.044001
361.220001 6.886
385.218994 3.596
439.527008 3.188
469.220001 4.508
473.661011 4.501
END IONS
BEGIN IONS
SCANS=973
PEPMASS=552.29498
CHARGE=0
COLLISION_ENERGY=0.0
61.362 26.365999
62.285999 5.676
69.07 12.166
81.07 7.266
148.733002 35.367001
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173.496994 32.974998
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339.122009 133.757996
380.14801 12.345
383.135986 30.08
398.158997 244.225998
466.221008 263.085999
483.194 19.371
484.199005 11.879
END IONS
BEGIN IONS
SCANS=974
PEPMASS=552.31702
CHARGE=1
COLLISION_ENERGY=0.0
64.994003 7.707
70.065002 86.390999
87.672997 1.694
88.074997 210.546997
106.085999 1542.108032
158.287994 6.051
165.089996 13.002
173.498001 59.848999
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181.085007 27.305
220.110992 10.845
238.106003 8.544
244.339005 4.788
275.470001 4.823
301.144012 2.444
328.122986 6.811
343.34201 2.167
END IONS
BEGIN IONS
SCANS=975
PEPMASS=553.20898
CHARGE=2
COLLISION_ENERGY=0.0
86.260002 8.698
102.708 9.482
104.299004 9.537
116.704002 9.644
120.102997 8.843
121.065002 9.73
173.496994 207.524994
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203.070007 26.469999
219.063995 35.979
270.050995 34.089001
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291.123993 21.016001
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417.065002 29.037001
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444.046997 17.834
461.056 104.611
462.05899 128.061005
463.058014 44.382999
513.111023 22.506001
530.122009 18.391001
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637.106995 24.945999
638.106995 37.331001
END IONS
BEGIN IONS
SCANS=976
PEPMASS=553.24402
CHARGE=1
COLLISION_ENERGY=0.0
73.945 6.38
77.714996 6.358
79.824997 6.414
104.352997 13.551
123.042999 11.083
151.074997 30.311001
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173.498993 116.658997
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201.089996 193.929993
205.085007 27.681999
257.153015 177.197006
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273.147003 17.264999
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301.143005 16.454
317.694 6.104
335.127014 7.387
433.162994 18.025999
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469.184998 108.835999
470.893005 6.49
500.389008 6.561
END IONS
BEGIN IONS
SCANS=977
PEPMASS=553.24402
CHARGE=1
COLLISION_ENERGY=0.0
81.069 50.205002
97.100998 31.066999
99.080002 39.588001
123.059998 27.330999
167.033005 281.065002
173.496994 133.166
195.042999 319.002014
263.127991 23.139999
272.106995 8.055
273.112 14.214
291.122009 73.167
END IONS
BEGIN IONS
SCANS=978
PEPMASS=553.25702
CHARGE=1
COLLISION_ENERGY=0.0
61.472 177.352997
77.720001 32.025002
88.170998 25.971001
103.597 28.105
134.593994 26.181
153.283005 26.433001
173.496002 448.612
207.212997 27.156
255.742004 30.681999
290.803009 30.440001
354.123993 28.724001
419.182007 118.32
END IONS
BEGIN IONS
SCANS=979
PEPMASS=553.26501
CHARGE=1
COLLISION_ENERGY=0.0
83.049004 32.243
91.054001 35.362999
93.07 83.917
119.084999 41.308998
121.064003 44.290001
149.059006 158.490005
161.132004 55.153
165.089996 56.354
189.126999 92.620003
235.132004 237.352997
253.143005 52.165001
263.127014 27.521
281.138 25.913
419.169006 4.556
END IONS
BEGIN IONS
SCANS=980
PEPMASS=553.27802
CHARGE=1
COLLISION_ENERGY=0.0
61.473999 389.139008
81.069 88.029999
84.876999 6.912
95.084999 82.970001
99.080002 37.611
167.033005 286.856995
173.496994 997.059998
195.054993 319.381012
201.059006 690.166016
203.067001 649.380005
219.061996 844.835022
275.123993 101.116997
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289.140015 97.656998
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384.153015 22.943001
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463.052002 8.475
467.203003 49.528
469.208008 133.281998
483.196014 7.39
484.205994 346.381012
485.213989 10.765
END IONS
BEGIN IONS
SCANS=981
PEPMASS=553.47302
CHARGE=1
COLLISION_ENERGY=0.0
61.473 23.365
70.065002 231.835007
136.074997 6.682
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169.847 5.883
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399.161987 11.69
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467.226013 13.423
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484.199005 20.403999
END IONS
BEGIN IONS
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PEPMASS=554.13202
CHARGE=0
COLLISION_ENERGY=0.0
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70.072998 4.619
91.054001 23.219
121.064003 22.809
153.990997 23.879999
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226.011993 32.301998
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513.111023 27.563999
END IONS
BEGIN IONS
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PEPMASS=554.28101
CHARGE=0
COLLISION_ENERGY=0.0
61.585999 81.370003
61.808998 24.955999
70.855003 24.695
96.183998 28.968
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179.069 64.746002
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289.140015 93.892998
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323.09201 26.458
END IONS
BEGIN IONS
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PEPMASS=554.297
CHARGE=0
COLLISION_ENERGY=0.0
69.07 18.443001
97.064003 18.52
105.069 26.555
125.023003 21.931
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201.089996 66.241997
202.093994 42.932999
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END IONS
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COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
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276.230988 761.901001
END IONS
BEGIN IONS
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COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
SCANS=990
PEPMASS=555.29303
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COLLISION_ENERGY=0.0
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83.084999 2.082
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148.082993 7.931
173.498993 37.523998
181.085007 8.442
217.121002 2.505
220.070007 31.775999
221.078003 19.805
237.059998 3.134
285.110992 2.93
289.140015 2791.781982
319.092987 2.954
330.166992 2.701
348.06601 2.213
383.134003 1.871
401.144989 6.133
451.196991 7.37
453.191986 5.998
467.19101 2.73
469.207001 6.399
487.21701 1.207
502.251007 0.873
519.26001 0.252
END IONS
BEGIN IONS
SCANS=991
PEPMASS=556.328
CHARGE=1
COLLISION_ENERGY=0.0
69.069 7.4
83.013 7.523
109.064003 24.396999
121.064003 35.409
123.080002 21.673
135.080002 35.855
151.074997 61.41
153.091003 48.470001
181.085007 704.012024
221.425995 3.496
222.113007 8.346
245.949005 3.249
305.257996 3.88
308.860992 3.567
311.588013 3.43
333.44101 3.427
379.868988 3.328
END IONS
BEGIN IONS
SCANS=992
PEPMASS=556.36401
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 39.500999
70.065002 80.011002
81.069 44.902
97.100998 48.097
124.074997 64.764
136.074997 154.561005
160.110992 14.708
173.498001 180.294998
188.143005 12.896
230.188995 10.626
248.235992 44.757999
258.221008 295.766998
260.235992 35.202
276.230988 730.913025
288.230988 149.078003
312.231995 26.688
329.617004 4.315
356.218994 6.521
378.242004 18.878
396.252991 23.705999
END IONS
BEGIN IONS
SCANS=993
PEPMASS=556.44202
CHARGE=1
COLLISION_ENERGY=0.0
65.778 6.717
87.043999 13.724
89.058998 262.811005
90.734001 8.288
133.085007 162.998993
148.731995 44.847
173.494003 38.341999
177.110992 50.77
221.136993 14.711
223.873001 9.591
257.980988 9.252
261.608002 7.655
278.247009 9.157
283.174011 16.808001
323.377991 8.14
327.201996 17.639
332.123993 8.188
356.769012 6.847
369.251007 7.964
371.22699 288.174011
417.266998 7.376
END IONS
BEGIN IONS
SCANS=994
PEPMASS=557.34601
CHARGE=1
COLLISION_ENERGY=0.0
61.925999 143.115005
65.873001 35.694
76.024002 38.298
78.684998 37.719002
116.815002 37.43
140.406998 38.780998
141.556 38.553001
143.501999 37.071999
173.496002 480.040985
280.5 36.627998
357.832001 36.577
377.265991 40.092999
END IONS
BEGIN IONS
SCANS=995
PEPMASS=558.34302
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 33.469002
69.07 543.416992
85.065002 69.776001
95.084999 90.556
121.064003 181.138
123.080002 163.516998
165.091003 93.492996
173.496002 151.294006
179.070007 3937.228027
233.153 90.962997
247.132004 1270.202026
263.127014 101.723999
274.194 14.978
292.190002 2.012
335.255005 1.066
337.765991 1.116
356.141998 0.549
416.165985 0.349
419.015015 0.096
428.015991 0.479
428.739014 1.26
453.097992 0.269
END IONS
BEGIN IONS
SCANS=996
PEPMASS=558.37903
CHARGE=1
COLLISION_ENERGY=0.0
62.041 10.945
70.065002 7.581
81.069 10.338
97.100998 15.25
124.074997 63.312
125.096001 19.253
136.074997 17.92
148.731995 28.202999
173.494003 26.403999
250.216003 7.384
260.235992 18.007999
262.252014 33.487999
278.247009 577.405029
290.247009 91.274002
314.246002 9.152
347.769989 5.499
355.630005 6.929
380.257996 15.505
398.268005 11.035
508.700012 5.88
515.208984 5.732
517.708984 6.626
END IONS
BEGIN IONS
SCANS=997
PEPMASS=559.23102
CHARGE=1
COLLISION_ENERGY=0.0
62.136002 16.285999
64.934998 6.693
72.803001 5.577
88.535004 6.315
105.615997 6.247
119.030998 6.628
134.75 6.057
148.733994 11.182
173.496002 305.428009
176.598999 4.635
180.242996 4.572
218.589005 4.557
230.705002 6.284
237.925995 4.801
282.475006 7.434
288.709991 6.373
304.006012 1.392
313.104004 2522.575928
331.11499 5.133
355.221985 1.447
393.050995 1.316
405.963989 9.167
442.571991 1.754
464.588989 5.077
470.946991 5.299
END IONS
BEGIN IONS
SCANS=998
PEPMASS=559.25403
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 18.216999
79.054001 35.081001
81.069 41.660999
97.100998 58.140999
125.095001 67.961998
139.037994 38.423
173.494003 42.855
191.069 23.427
193.048996 34.536999
207.100998 80.32
231.100998 20.049
249.110992 38.294998
251.126999 10.95
273.110992 13.435
291.122009 5.838
331.190002 53.507999
349.200012 11.415
355.190002 4.637
373.199005 275.769012
391.210999 107.860001
436.824005 3.651
468.666992 3.275
523.231018 10.694
END IONS
BEGIN IONS
SCANS=999
PEPMASS=559.36102
CHARGE=1
COLLISION_ENERGY=0.0
61.044998 24.907
62.151001 99.494003
70.956001 25.341
110.787003 24.642
120.429001 24.525999
133.990997 24.695999
173.498001 605.02002
181.085007 25.559
214.154007 26.059
220.602005 25.497999
238.201004 22.292999
243.214005 23.823
376.235992 24.318001
END IONS
BEGIN IONS
SCANS=1000
PEPMASS=560.33502
CHARGE=1
COLLISION_ENERGY=0.0
62.257999 103.357002
64.662003 29.176001
88.959999 18.849001
101.975998 17.764
148.733002 74.636002
150.684006 19.207001
158.057007 22.794001
173.498001 605.776978
179.069 19.200001
181.085007 34.132999
225.216003 17.658001
231.087997 18.657
310.105011 26.945999
312.192993 62.214001
320.088989 245.011002
324.121002 29.664
338.100006 91.300003
342.203003 26.221001
366.130005 26.077
405.769989 17.176001
406.567993 21.971001
444.25 26.764
448.207001 98.695
458.230011 27.721001
462.259003 23.348
464.277008 74.462997
474.260986 76.489998
END IONS
BEGIN IONS
SCANS=1001
PEPMASS=560.35901
CHARGE=1
COLLISION_ENERGY=0.0
69.07 27.997
83.012001 30.610001
109.064003 105.075996
121.064003 140.910995
135.080002 171.332993
151.074997 267.213013
153.089996 174.057999
179.070007 109.427002
181.085007 2304.778076
233.153 69.519997
241.121994 22.677999
247.132004 28.997999
269.117004 24.23
299.127991 40.321999
301.143005 229.792999
313.144012 11.722
315.15799 5.763
367.188995 0.7
369.205994 54.910999
370.105988 0.873
399.216003 0.741
411.214996 0.68
435.252014 0.983
END IONS
BEGIN IONS
SCANS=1002
PEPMASS=560.35901
CHARGE=1
COLLISION_ENERGY=0.0
69.069 621.86499
74.023003 61.880001
81.07 162.514999
83.084999 217.246002
88.039001 230.684006
107.084999 83.792999
134.044006 514.395996
148.731995 76.376999
165.091003 467.091003
173.498993 402.153015
179.070007 35.639
181.085007 267.252991
247.132996 10.06
249.147995 24.632999
275.747986 7.004
301.141998 9.524
322.278015 9.508
333.123993 9.616
381.315002 106.348
383.294006 46.139
391.299011 82.697998
401.304993 122.345001
409.309998 149.548996
427.320007 147.832993
447.979004 8.568
461.221985 6.038
END IONS
BEGIN IONS
SCANS=1003
PEPMASS=560.39502
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 13.551
69.069 15.149
81.069 15.685
83.084999 11.005
95.084999 15.13
107.084999 14.133
151.074997 28.339001
173.498001 194.916
179.070007 41.931999
194.080002 149.604004
206.080002 67.456001
220.095993 55.555
236.091003 176.738007
262.143005 45.414001
288.158997 15.127
304.153992 75.723999
356.488007 9.008
456.311005 10.845
524.372986 34.771
532.856995 9.918
END IONS
BEGIN IONS
SCANS=1004
PEPMASS=561.24701
CHARGE=1
COLLISION_ENERGY=0.0
61.132 8.822
62.360001 111.042999
65.848999 20.733999
67.413002 13.95
89.237 25.76
100.014 27.624001
127.121002 7.094
148.731003 183.722
173.496994 298.86499
181.085007 15.557
190.059006 10.23
212.044006 8.382
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281.114014 97.115997
325.104004 816.455994
326.112 16.226
354.203003 26.058001
379.11499 8.981
381.679993 20.964001
381.904999 22.922001
459.140991 15.391
461.157013 26.499001
474.165009 23.606001
475.171997 30.457001
492.173004 123.57
END IONS
BEGIN IONS
SCANS=1005
PEPMASS=562.29199
CHARGE=1
COLLISION_ENERGY=0.0
69.07 9.578
74.612999 5.359
143.072006 15.996
144.080002 33.233002
148.733002 18.959
173.5 31.851
194.080002 67.342003
206.080002 105.454002
219.138 6.952
262.143005 112.156998
274.143005 10.393
330.205994 274.539001
333.122009 12.774
334.130005 22.037001
335.138 58.625
358.200989 91.181999
403.200989 117.834999
END IONS
BEGIN IONS
SCANS=1006
PEPMASS=562.35101
CHARGE=1
COLLISION_ENERGY=0.0
62.481998 113.684998
63.737 24.309999
64.43 24.698
74.193001 11.53
87.755997 30.325001
143.953003 24.104
147.065002 25.139
156.584 26.877001
173.496994 606.578979
179.897995 25.976999
181.085007 133.636993
219.061996 18.306999
228.134995 23.51
286.790985 11.972
296.196991 145.007004
297.205994 28.496
312.191986 29.705
314.209015 445.980011
368.147003 165.100998
436.208008 15.553
437.777008 28.743
END IONS
BEGIN IONS
SCANS=1007
PEPMASS=562.41101
CHARGE=0
COLLISION_ENERGY=0.0
64.582001 23.693001
71.067001 14.412
97.064003 55.029999
105.538002 9.882
148.731003 72.099998
151.074997 119.136002
173.498001 328.333008
179.070007 83.607002
194.080994 655.577026
206.080002 222.533997
220.095993 142.106003
236.091003 559.736023
237.095001 46.001999
262.143005 30.605
292.197998 16.443001
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305.157013 40.909
329.862 11.322
367.147003 15.083
440.315002 67.139999
441.319 13.799
441.881012 8.804
446.325989 8.143
458.325989 48.613998
508.378998 6.012
526.388 23.903
END IONS
BEGIN IONS
SCANS=1008
PEPMASS=563.26202
CHARGE=1
COLLISION_ENERGY=0.0
68.250999 4.544
75.512001 4.881
86.598999 4.111
110.596001 4.59
113.027 4.589
118.072998 4.762
166.304001 4.853
173.496994 61.852001
175.350006 5.22
181.617996 4.761
197.294998 4.848
273.144989 505.88501
282.505005 4.727
313.104004 358.312012
323.123993 5.559
420.084991 5.531
427.94101 5.437
442.110992 5.539
END IONS
BEGIN IONS
SCANS=1009
PEPMASS=563.26501
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 24.165001
79.054001 31.610001
81.069 144.735001
95.084999 32.263
99.080002 30.268
148.731003 61.922001
163.037994 5.193
165.089996 110.291
173.496994 129.666
227.069 32.978001
233.153 90.477997
245.117004 31.642
255.063995 15.733
287.127014 249.190002
313.105988 39.414001
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353.06601 14.646
371.184998 37.5
399.544006 11.68
431.151001 10.475
435.179993 10.625
475.136993 28.962
477.190002 69.001999
493.148987 22.516001
495.200989 237.244995
512.890991 12.348
END IONS
BEGIN IONS
SCANS=1010
PEPMASS=563.32202
CHARGE=1
COLLISION_ENERGY=0.0
81.069 82.537003
93.069 84.32
95.084999 114.977997
105.069 77.441002
107.084999 76.399002
119.084999 76.616997
159.115997 49.860001
173.498001 45.905998
213.162994 27.969999
325.214996 11.138
337.252014 17.563
347.235992 19.135
355.263 15.346
365.247009 98.598999
383.257996 202.192001
END IONS
BEGIN IONS
SCANS=1011
PEPMASS=563.33502
CHARGE=0
COLLISION_ENERGY=0.0
62.591999 27.665001
80.448997 9.557
91.782997 10.841
97.394997 10.315
103.026001 10.015
107.887001 11.221
165.634995 10.973
173.496994 747.825989
179.069 50.783001
181.085999 14.339
192.520004 10.09
234.690002 9.971
237.835999 8.047
238.565994 12.736
299.196991 179.660995
299.796997 9.661
301.213013 46.785
315.191986 311.167999
317.207001 372.458008
356.217987 22.267
357.076996 10.536
379.556 9.464
406.783997 11.094
429.96701 8.441
440.481995 8.915
463.024994 10.59
END IONS
BEGIN IONS
SCANS=1012
PEPMASS=563.34998
CHARGE=0
COLLISION_ENERGY=0.0
62.595001 35.921001
64.779999 33.611
81.07 42.422001
98.055 34.250999
148.733002 264.854004
173.494003 138.886993
208.755005 28.621
215.574005 33.459999
239.697998 30.224001
263.721008 29.219999
287.738007 32.150002
294.828003 32.153
311.752991 29.122999
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371.524994 31.764999
372.859009 30.271999
433.285004 57.733002
479.158997 41.784
494.135986 40.363998
END IONS
BEGIN IONS
SCANS=1013
PEPMASS=564.35101
CHARGE=1
COLLISION_ENERGY=0.0
76.228996 9.691
83.059998 33.443001
93.043999 15.563
110.070999 447.002014
148.735001 73.191002
173.496002 58.465
198.220993 94.096001
207.087006 23.348
235.082001 30.245001
252.108002 47.444
258.096985 9.087
290.257996 15.618
303.118988 23.393999
321.130005 12.555
339.140991 11.726
341.885986 9.289
358.348999 9.729
427.290009 10.526
432.292999 12.491
536.354004 26.568001
546.338989 26.530001
END IONS
BEGIN IONS
SCANS=1014
PEPMASS=564.367
CHARGE=1
COLLISION_ENERGY=0.0
62.706001 209.923996
64.084 3.604
71.857002 3.647
75.575996 4.635
78.149002 4.541
78.543999 4.133
136.048996 5.034
141.091003 27.261
148.731995 24.792
165.089996 5.178
173.496994 149.389999
215.054993 48.955002
241.070007 74.579002
242.078003 284.667999
258.072998 339.916992
259.080994 243.218994
312.119995 103.157997
314.098999 36.965
315.192993 9.234
317.208008 11.093
328.11499 56.752998
329.122986 68.888
382.161987 13.659
396.178009 29.84
410.194 6.591
422.816986 5.254
466.255005 29.33
478.291992 28.362
480.272003 32.085999
494.286987 83.917
495.295013 39.217999
END IONS
BEGIN IONS
SCANS=1015
PEPMASS=564.39001
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 12.215
81.059998 51.126999
95.084999 82.462997
123.065002 111.879997
167.033005 110.712997
173.496994 41.629002
177.054001 27.921
193.048996 69.490997
195.028 73.477997
245.115997 14.843
273.110992 40.438999
291.121002 359.487
321.028992 4.316
END IONS
BEGIN IONS
SCANS=1016
PEPMASS=565.20502
CHARGE=1
COLLISION_ENERGY=0.0
62.799999 41.917999
69.334 11.22
121.064003 21.222
135.080002 32.558998
149.020004 33.216
151.074005 57.085999
153.089996 36.810001
173.498993 131.078995
181.085007 138.710999
202.059006 15.955
255.485001 10.161
259.019989 83.585999
299.052002 11.264
300.30899 10.51
317.062012 156.774994
326.52301 11.052
360.115997 16.389999
411.104004 24.849001
439.132996 97.917
489.584015 14.243
496.132996 22.261999
END IONS
BEGIN IONS
SCANS=1017
PEPMASS=565.24103
CHARGE=0
COLLISION_ENERGY=0.0
81.166 13.256
85.107002 11.136
108.053001 11.0
109.143997 10.666
120.210999 11.333
121.026001 202.268005
173.496994 749.026978
179.070007 224.498993
201.052002 280.888
203.067001 55.699001
219.061996 34.047001
221.076996 104.042
285.109009 66.438004
287.123993 22.33
299.088989 186.281998
301.104004 62.895
317.098999 157.270004
319.11499 621.968018
397.118988 7.347
398.131989 32.553001
409.526001 6.962
410.394989 6.769
461.373993 6.823
466.195007 17.290001
END IONS
BEGIN IONS
SCANS=1018
PEPMASS=565.242
CHARGE=1
COLLISION_ENERGY=0.0
63.028 73.697998
72.422997 20.944
79.077003 18.827999
84.122002 21.155001
118.412003 19.655001
173.496994 325.964996
179.069 20.924999
215.541 19.877001
230.852005 19.464001
234.677994 24.603001
247.597 21.827
280.898987 23.304001
303.119995 27.386999
305.13501 362.367004
END IONS
BEGIN IONS
SCANS=1019
PEPMASS=565.27802
CHARGE=0
COLLISION_ENERGY=0.0
62.807999 66.672997
78.903 18.181
89.301003 18.931
106.085999 81.853996
142.281998 17.945
173.498001 244.199997
181.085007 69.375
203.067001 39.702999
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233.078003 27.754999
249.072998 46.971001
285.109009 54.415001
289.140991 23.539
317.135986 36.228001
351.733002 15.939
428.144012 35.721001
461.470001 18.139
476.480988 17.434999
479.201996 24.909
END IONS
BEGIN IONS
SCANS=1020
PEPMASS=565.30103
CHARGE=1
COLLISION_ENERGY=0.0
68.150002 18.055
83.867996 12.662
109.065002 15.436
121.064003 56.068001
135.080002 29.037001
151.074997 101.932999
153.089996 68.438004
173.498001 204.281998
181.085007 622.844971
203.959 13.537
211.408005 14.518
265.141998 69.537003
267.158997 8.356
279.122009 4.362
281.138 57.714001
283.153992 554.789001
325.143005 2.729
364.428986 19.377001
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409.200989 4.37
427.210999 20.364
451.247986 15.127
469.257996 16.539
487.269012 7.104
511.269012 7.065
END IONS
BEGIN IONS
SCANS=1021
PEPMASS=566.34802
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 30.313
70.065002 48.266998
81.069 92.209
95.084999 198.552002
123.064003 198.462997
136.074997 88.181
167.033005 111.453003
173.498001 96.882004
193.048996 135.960007
195.028 50.210999
258.221008 225.867996
273.110992 42.248001
276.230988 1390.577026
291.122009 201.270996
END IONS
BEGIN IONS
SCANS=1022
PEPMASS=566.56299
CHARGE=0
COLLISION_ENERGY=0.0
62.951 59.199001
72.081001 46.132
75.121002 11.945
109.100998 46.805
112.112 14.877
127.111 82.724998
148.733994 54.553001
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173.496994 219.488998
184.169006 1221.855957
207.802994 8.573
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239.347 8.638
253.054993 7.402
255.242004 7.441
310.98999 10.089
318.433014 11.741
322.042999 10.902
351.170013 10.921
366.372986 77.454002
389.095001 9.049
429.144989 7.11
440.457001 14.463
503.143005 10.864
END IONS
BEGIN IONS
SCANS=1023
PEPMASS=567.23602
CHARGE=0
COLLISION_ENERGY=0.0
80.999001 32.991001
95.711998 34.083
102.894997 36.583
103.483002 32.377998
119.398003 36.507
122.184998 35.251999
173.496002 638.33197
175.160995 40.242001
217.906006 35.533001
253.977005 37.419998
325.824005 40.679001
END IONS
BEGIN IONS
SCANS=1024
PEPMASS=567.23602
CHARGE=1
COLLISION_ENERGY=0.0
66.675003 38.820999
68.778999 47.049999
81.128998 44.285
85.143997 47.216
88.945 39.825001
104.872002 41.630001
150.886002 41.131001
164.067993 41.514
173.496002 580.35498
178.781006 36.576
323.404999 41.598
END IONS
BEGIN IONS
SCANS=1025
PEPMASS=567.23602
CHARGE=0
COLLISION_ENERGY=0.0
63.025002 28.277
67.595001 10.991
79.389999 11.743
85.127998 12.243
123.041 154.098007
149.511993 11.03
173.498993 208.658005
179.070007 46.751999
181.085007 14.865
201.052002 99.852997
229.912003 10.763
241.800995 10.948
289.140991 49.959
294.446991 10.741
301.104004 41.985001
319.11499 136.645996
321.131012 140.449005
END IONS
BEGIN IONS
SCANS=1026
PEPMASS=567.23602
CHARGE=1
COLLISION_ENERGY=0.0
63.025002 206.337997
65.061996 52.042999
66.688004 52.264
71.893997 57.146
103.537003 58.27
130.100998 49.106998
173.5 362.087006
192.453995 52.154999
375.737 62.450001
380.56601 48.139999
END IONS
BEGIN IONS
SCANS=1027
PEPMASS=567.23602
CHARGE=1
COLLISION_ENERGY=0.0
62.230999 31.544001
78.060997 35.277
82.985001 36.683998
148.731003 292.411987
173.496002 247.404007
209.501999 38.806999
226.074997 36.889999
245.214996 39.800999
276.891998 45.834999
292.436005 36.856998
296.252991 43.877998
319.602997 41.301998
321.131012 73.306999
END IONS
BEGIN IONS
SCANS=1028
PEPMASS=567.25702
CHARGE=1
COLLISION_ENERGY=0.0
62.179001 20.318001
63.028 912.075012
71.929001 45.323002
82.363998 19.823
97.023003 20.538
106.085999 232.274994
148.731995 877.297974
173.496994 3808.4021
181.085007 196.962997
203.067993 260.329987
217.046005 370.489014
219.061996 185.511002
220.070007 411.006012
285.109009 259.031006
287.125 159.266006
301.104004 2052.819092
303.119995 1098.891968
305.13501 3042.319092
321.131012 31.371
369.165985 23.072001
384.843994 3.606
397.125 28.416
398.131989 35.463001
407.647003 17.993
473.470001 3.907
481.182007 5.917
482.190002 452.378998
503.596985 2.314
END IONS
BEGIN IONS
SCANS=1029
PEPMASS=567.25702
CHARGE=1
COLLISION_ENERGY=0.0
62.623001 16.961
63.027 29.936001
95.518997 12.931
123.042 289.231995
148.731995 85.871002
173.498001 166.042999
179.070007 162.832001
201.052002 147.904999
203.067001 9.565
218.065002 12.554
219.061996 8.072
289.140015 61.296001
301.104004 57.557999
305.135986 6.231
319.11499 225.076004
321.130005 594.883972
348.86499 14.86
363.770996 18.492001
474.873993 4.99
481.182007 10.782
498.187012 10.798
END IONS
BEGIN IONS
SCANS=1030
PEPMASS=567.28101
CHARGE=1
COLLISION_ENERGY=0.0
83.049004 22.304001
91.054001 58.046001
93.07 139.134995
147.080002 27.121
149.059006 264.076996
161.132004 92.278
165.091003 105.445
189.126999 188.485992
217.121994 58.327
235.132004 656.229004
253.143005 154.744003
263.127014 55.250999
281.138 68.708
303.121002 3.818
305.13501 14.47
360.312012 2.568
397.125 3.428
400.325012 2.974
405.151001 1.329
433.18399 5.124
451.194 1.688
475.213013 1.465
478.442993 1.76
END IONS
BEGIN IONS
SCANS=1031
PEPMASS=567.36603
CHARGE=1
COLLISION_ENERGY=0.0
63.040001 126.386002
69.572998 16.34
85.064003 53.355999
148.731003 30.882999
151.074005 22.299999
153.089996 46.500999
173.496994 1501.276978
181.085007 791.732971
203.067001 41.306999
221.078003 40.037998
265.141998 65.061996
267.354004 34.66
289.140991 728.286011
317.209015 95.387001
321.131012 22.184999
352.156006 9.522
364.928986 14.682
365.403992 15.325
395.179993 8.568
414.010986 20.254999
438.764008 19.594999
END IONS
BEGIN IONS
SCANS=1032
PEPMASS=567.36603
CHARGE=1
COLLISION_ENERGY=0.0
66.139999 41.433998
91.372002 36.275002
102.213997 46.487
112.400002 41.129002
145.623001 43.789001
148.731995 53.021
156.537994 47.193001
173.498993 322.553009
217.121994 57.334
220.069 51.015999
221.076996 46.118999
223.843002 38.202
287.125 46.289001
307.30899 45.234001
423.806 46.368
END IONS
BEGIN IONS
SCANS=1033
PEPMASS=568.328
CHARGE=1
COLLISION_ENERGY=0.0
77.823997 5.575
79.054001 6.187
81.07 21.719
93.377998 5.662
95.084999 7.825
163.037994 89.939003
165.089996 197.207001
173.498993 31.597
181.048996 31.988001
189.018005 87.160004
207.028 32.514
257.115997 36.390999
285.112 13.867
303.122986 365.644989
308.631012 6.525
364.641998 5.335
371.18399 30.006001
373.21701 5.034
432.812988 5.601
END IONS
BEGIN IONS
SCANS=1034
PEPMASS=568.36401
CHARGE=1
COLLISION_ENERGY=0.0
64.515999 9.245
67.054001 6.643
81.061996 56.625999
95.084999 109.737999
123.068001 104.108002
124.074997 23.09
167.033005 63.923
173.496994 175.317001
189.054001 21.214001
193.048996 61.273998
205.048996 24.818001
263.126007 8.474
273.110992 21.725
278.247009 1137.541016
291.122009 121.718002
292.516998 6.024
328.299988 6.011
335.497009 3.291
400.863007 6.561
457.699005 4.477
472.81601 8.768
END IONS
BEGIN IONS
SCANS=1035
PEPMASS=568.54199
CHARGE=1
COLLISION_ENERGY=0.0
63.169998 73.563004
72.081001 40.169998
85.100998 97.920998
95.084999 8.561
112.112 10.014
113.096001 102.802002
170.154007 1143.444946
173.496994 292.743011
184.169006 77.852997
254.639999 7.423
299.794006 6.748
332.07901 6.393
334.789001 6.942
355.506989 8.389
382.367004 68.643997
403.963989 6.984
439.425995 9.96
494.747986 6.792
506.790985 9.782
526.95697 8.057
END IONS
BEGIN IONS
SCANS=1036
PEPMASS=569.27301
CHARGE=1
COLLISION_ENERGY=0.0
63.250999 412.123993
74.608002 9.881
81.07 11.883
99.080002 10.431
123.080002 16.473
135.080002 48.314999
173.496994 528.874023
181.085007 224.990005
203.067001 202.899002
204.074997 57.438
219.061996 52.585999
221.078003 116.906998
289.140015 552.125977
303.119995 97.077003
305.13501 77.136002
319.11499 685.257019
321.130005 374.239014
323.145996 480.487
397.126007 8.377
398.132996 23.091999
410.894989 10.67
411.140991 57.808998
418.123993 5.153
441.151001 51.669998
483.197998 21.551001
485.178986 7.297
487.635986 5.438
499.192993 19.080999
500.200989 450.415985
END IONS
BEGIN IONS
SCANS=1037
PEPMASS=569.34497
CHARGE=1
COLLISION_ENERGY=0.0
68.468002 21.657
71.045998 23.697001
73.758003 25.976
78.557999 22.482
137.585007 23.700001
145.755997 20.915001
173.496002 383.391998
182.113007 23.211
200.705002 19.143999
209.035995 21.962
280.428009 20.216
294.912994 20.594
313.105988 354.125
339.862 18.929001
END IONS
BEGIN IONS
SCANS=1038
PEPMASS=569.38098
CHARGE=1
COLLISION_ENERGY=0.0
86.875 38.941002
87.418999 38.602001
148.731995 127.643997
151.074997 75.788002
153.089996 100.192001
173.509995 53.027
181.085007 527.20697
351.029999 38.598999
END IONS
BEGIN IONS
SCANS=1039
PEPMASS=570.30701
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 5.204
69.07 116.322998
70.072998 7.121
89.058998 15.617
95.084999 26.871
121.064003 62.820999
123.080002 52.804001
173.496994 100.095001
179.070007 1034.529053
180.072998 143.572006
235.298996 2.33
247.132004 301.269012
248.136002 63.717999
276.231995 14.583
296.941986 2.401
307.785004 2.425
359.957001 2.801
371.22699 14.32
380.782013 3.894
453.363007 3.097
END IONS
BEGIN IONS
SCANS=1040
PEPMASS=570.45801
CHARGE=1
COLLISION_ENERGY=0.0
65.601997 5.341
75.144997 5.31
87.003998 12.44
89.057999 780.405029
91.143997 21.382999
133.085007 481.536987
148.729996 34.57
173.496002 362.13501
177.112 149.380005
179.070007 57.445999
221.136993 43.209
234.106003 8.594
275.606995 7.537
283.174011 22.540001
301.635986 8.518
319.069 5.591
327.200989 27.827999
339.963013 4.978
371.227997 877.773987
402.053986 5.882
422.01001 9.879
443.98999 9.85
444.669006 14.125
END IONS
BEGIN IONS
SCANS=1041
PEPMASS=571.28802
CHARGE=1
COLLISION_ENERGY=0.0
62.058998 19.195999
62.249001 18.806
63.449001 260.997009
64.773003 14.41
66.920998 14.378
85.102997 14.756
125.023003 103.938004
148.731995 527.416992
173.496002 859.432983
201.052002 190.570999
203.067001 821.848022
219.061996 755.424011
220.070007 283.778015
263.088013 80.719002
276.132996 154.115997
304.127991 48.492001
305.13501 178.451996
321.130005 161.050003
323.145996 395.890015
377.756989 13.371
413.153015 24.410999
414.279999 11.244
422.153015 21.959
443.165985 34.283001
485.213989 162.078995
487.192993 13.274
502.216003 169.235992
502.808014 16.549999
503.226013 33.671001
END IONS
BEGIN IONS
SCANS=1042
PEPMASS=571.28802
CHARGE=1
COLLISION_ENERGY=0.0
70.283997 26.693001
71.848999 27.000999
86.973 27.487
95.084999 40.237
148.735001 192.085999
173.494995 172.737
179.069 45.678001
203.052002 61.546001
219.061996 56.699001
256.406006 27.205999
263.127014 55.806
287.126007 40.118999
353.332001 26.836
357.054993 26.294001
362.658997 31.312
493.929993 29.040001
517.221008 46.159
535.231995 67.061996
END IONS
BEGIN IONS
SCANS=1043
PEPMASS=574.242
CHARGE=1
COLLISION_ENERGY=0.0
63.804001 64.848
66.389 17.360001
74.122002 17.875
81.704002 17.336
98.136002 16.981001
148.731995 56.558998
173.496002 191.404999
206.630005 21.556999
208.322006 21.145
216.061996 25.436001
240.061996 30.905001
269.114014 20.82
284.125 62.335999
296.123993 21.341999
300.737 18.999001
313.104004 242.251007
401.049011 19.948999
419.60199 20.082001
504.161011 39.061001
505.170013 45.529999
506.178986 28.222
END IONS
BEGIN IONS
SCANS=1044
PEPMASS=574.33801
CHARGE=1
COLLISION_ENERGY=0.0
69.069 347.592987
85.065002 679.721985
91.054001 61.832001
95.084999 101.281998
121.064003 340.320007
123.080002 298.072998
173.498001 725.864014
179.070007 4793.141113
181.085007 1696.573975
195.065002 496.182007
233.153 213.901001
247.132004 899.393005
249.147995 9.231
263.127014 3690.042969
308.519989 0.834
312.21701 0.768
368.373993 0.559
369.890015 0.512
390.332001 1.531
411.920013 0.436
435.937012 0.383
438.612 0.409
461.960999 0.361
467.761993 0.89
471.072998 0.42
488.901001 0.311
END IONS
BEGIN IONS
SCANS=1045
PEPMASS=574.41101
CHARGE=0
COLLISION_ENERGY=0.0
69.07 11.69
109.064003 16.344999
121.064003 19.319
123.080002 16.724001
151.074997 33.528
173.494003 46.683998
179.070007 119.732002
181.085007 352.813995
195.065002 131.485992
224.091003 63.759998
247.132004 19.893
263.127014 35.492001
264.268005 14.348
266.10199 31.049
458.32901 6.402
470.321991 6.695
488.334991 5.708
506.346985 38.167
519.669983 3.559
END IONS
BEGIN IONS
SCANS=1046
PEPMASS=574.44702
CHARGE=1
COLLISION_ENERGY=0.0
81.07 33.216
99.925003 20.341
100.491997 19.645
100.692001 24.077999
151.074997 51.168999
165.089996 68.356003
173.494995 354.688995
177.091003 49.641998
189.089996 59.639999
216.453003 23.297001
361.459991 26.163
394.889008 22.92
415.348999 28.202999
421.737 28.132
425.303986 54.916
443.315002 135.595001
END IONS
BEGIN IONS
SCANS=1047
PEPMASS=576.29498
CHARGE=1
COLLISION_ENERGY=0.0
64.031998 43.303001
75.442001 21.268
148.731003 108.067001
173.498993 120.57
181.085007 141.186996
182.087997 98.910004
203.067001 52.068001
229.070007 56.441002
242.076996 27.087
260.088989 29.641001
297.132996 66.994003
328.151001 21.805
375.773987 20.207001
438.151001 60.737
439.160004 33.849998
492.197998 24.511
495.988007 21.35
506.21701 28.079
508.230011 23.924999
END IONS
BEGIN IONS
SCANS=1048
PEPMASS=576.33197
CHARGE=1
COLLISION_ENERGY=0.0
69.032997 22.573999
83.049004 34.370998
91.054001 56.116001
107.084999 35.451
119.084999 1180.230957
133.063995 145.485001
135.080002 43.800999
173.496002 217.468002
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235.147003 5.516
235.854004 6.018
237.162994 6.19
243.100006 3.869
263.127014 87.867996
307.117004 24.051001
319.083008 6.032
366.846008 6.097
397.200989 54.648998
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411.179993 9.012
462.261993 3.479
530.322998 39.525002
END IONS
BEGIN IONS
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PEPMASS=577.24103
CHARGE=1
COLLISION_ENERGY=0.0
64.137001 41.271999
69.07 19.554001
93.07 8.776
109.065002 11.049
121.064003 46.634998
123.080002 32.724998
173.494995 87.704002
179.070007 377.304993
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315.95401 3.698
329.098999 7.791
331.11499 1006.023987
374.016998 3.931
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519.460022 4.557
END IONS
BEGIN IONS
SCANS=1050
PEPMASS=577.27802
CHARGE=1
COLLISION_ENERGY=0.0
69.069 12.07
79.054001 13.909
91.054001 17.681
107.084999 17.118
121.064003 19.823999
135.080002 170.181
165.089996 463.890015
173.496994 373.230011
179.070007 293.518005
181.085007 69.772003
193.048996 24.995001
233.153 323.279999
242.807999 10.071
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273.740997 4.519
285.109009 22.124001
329.138 4.684
331.151001 61.506001
389.085999 6.695
397.210999 16.014999
468.444 17.735001
END IONS
BEGIN IONS
SCANS=1051
PEPMASS=578.34601
CHARGE=1
COLLISION_ENERGY=0.0
64.260002 11.397
80.458 10.689
81.143997 10.352
90.032997 11.055
90.617996 10.334
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148.695007 12.082
156.740005 10.527
165.091003 13.559
173.496994 158.039001
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298.213013 17.775999
303.119995 653.482971
368.76001 10.536
397.023987 11.04
399.513 10.549
414.425995 12.079
427.841003 12.407
END IONS
BEGIN IONS
SCANS=1052
PEPMASS=579.21997
CHARGE=1
COLLISION_ENERGY=0.0
69.888 31.402
75.276001 4.032
76.235001 35.166
80.407997 40.495998
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148.731995 435.244995
173.498993 304.916992
216.039001 1.072
217.046997 2.398
222.563995 0.935
234.108002 52.950001
301.104004 1005.330017
END IONS
BEGIN IONS
SCANS=1053
PEPMASS=579.25702
CHARGE=0
COLLISION_ENERGY=0.0
63.23 13.624
64.361 268.528015
121.064003 75.841003
123.080002 28.436001
151.074997 113.355003
153.089996 33.681999
173.496994 1174.006958
181.085007 675.73999
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269.114014 27.243
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313.104004 642.340027
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330.105988 30.487
331.11499 315.95401
449.191986 39.945
451.171997 38.990002
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511.192993 95.468002
END IONS
BEGIN IONS
SCANS=1054
PEPMASS=579.33002
CHARGE=1
COLLISION_ENERGY=0.0
62.219002 8.533
64.939003 9.269
67.054001 15.782
81.069 20.663
122.449997 5.507
158.128998 9.561
173.498001 340.675995
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233.041 395.669006
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301.105011 2025.432007
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319.11499 16.431
335.871002 2.875
342.148987 32.262001
430.522003 7.182
456.938995 6.853
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501.980988 3.303
END IONS
BEGIN IONS
SCANS=1055
PEPMASS=581.23798
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 104.175003
81.065002 506.191986
93.07 96.669998
95.084999 560.060974
105.07 72.842003
123.057999 745.922974
167.033005 968.744995
173.496994 725.392029
193.048996 373.294006
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477.19101 2.229
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525.038025 5.184
END IONS
BEGIN IONS
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PEPMASS=581.27502
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 17.125
81.069 100.084999
93.069 17.377001
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477.190002 47.509998
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545.254028 8.372
END IONS
BEGIN IONS
SCANS=1057
PEPMASS=581.34497
CHARGE=1
COLLISION_ENERGY=0.0
67.931 27.693001
69.069 13.549
72.893997 22.297001
93.07 29.219999
109.401001 11.414
121.064003 11.45
173.496994 936.416016
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217.046997 11.629
221.076996 11.618
229.067001 10.989
247.132996 11.571
285.109009 104.223999
289.140991 344.54599
315.191986 21.826
317.208008 31.621
319.223999 38.186001
335.218994 715.088989
388.811005 7.492
401.880005 11.429
410.574005 12.88
END IONS
BEGIN IONS
SCANS=1058
PEPMASS=582.30701
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 8.733
81.069 14.029
95.084999 19.594999
97.863998 9.457
127.764999 8.482
156.104996 9.762
173.498993 62.821999
189.016998 10.293
203.070007 124.82
227.960999 9.478
264.52301 9.123
311.091003 35.192001
329.10199 22.743999
337.070007 66.487999
353.10199 16.704
355.080994 54.248001
446.100006 9.604
451.174988 149.186996
469.184998 109.264
505.653992 9.672
519.237 187.662003
537.247986 44.466
END IONS
BEGIN IONS
SCANS=1059
PEPMASS=582.34302
CHARGE=1
COLLISION_ENERGY=0.0
62.702999 105.490997
81.069 32.573002
91.054001 92.834999
95.084999 76.055
154.158005 111.592003
167.033005 149.306
173.498001 371.382996
174.126999 29.951
176.106995 19.723
195.028 75.446999
246.220993 14.724
274.214996 16.621
284.237 20.628
312.231995 145.410995
326.283997 192.423996
330.243011 19.836
354.278015 254.192001
372.289001 108.273003
394.67099 9.236
404.583008 8.583
494.325989 13.903
522.320007 10.206
524.81897 18.082001
END IONS
BEGIN IONS
SCANS=1060
PEPMASS=582.55798
CHARGE=1
COLLISION_ENERGY=0.0
64.727997 103.848
70.821999 4.948
72.081001 63.062
73.744003 10.409
84.080002 27.025999
109.100998 55.587002
127.111 153.899002
148.733002 118.652
170.153 64.335999
173.496994 285.924988
184.169006 1798.129028
200.164001 37.397999
228.798004 5.321
236.414993 10.329
255.240997 5.096
261.195007 5.095
262.011993 9.233
322.537994 5.883
347.910004 5.625
364.356995 6.269
369.595001 4.405
382.367004 131.587006
421.334991 12.108
439.425995 31.106001
456.451996 24.367001
473.591003 5.535
548.020996 6.004
END IONS
BEGIN IONS
SCANS=1061
PEPMASS=583.27502
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 22.833
79.054001 19.131001
87.080002 137.421005
91.054001 111.166
93.07 279.884003
107.084999 28.502001
163.110992 97.403
165.054001 418.200989
173.498993 136.981995
191.106003 64.795998
209.080002 129.824005
233.115997 48.967999
251.126999 270.403015
261.112 33.058998
279.122009 20.761999
317.098999 12.761
319.290985 9.393
341.131012 1.092
346.346985 9.589
380.936005 11.582
403.145996 4.204
417.153992 2.865
449.179993 5.69
461.463013 14.673
467.190002 3.817
487.230988 3.37
505.242004 4.977
END IONS
BEGIN IONS
SCANS=1062
PEPMASS=583.32703
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 24.025
81.069 72.165001
95.084999 88.456001
123.066002 91.281998
167.033005 89.526001
173.496002 59.594002
193.048996 74.862
195.028 27.542
205.048996 30.427
251.162994 12.826
273.110992 36.214001
275.200012 9.231
291.122009 139.395004
293.209991 168.048004
315.15799 14.217
333.169006 8.629
397.197998 5.829
415.285004 7.014
432.859009 5.739
504.563995 5.387
END IONS
BEGIN IONS
SCANS=1063
PEPMASS=583.36102
CHARGE=1
COLLISION_ENERGY=0.0
64.817001 36.938999
70.991997 12.424
109.064003 76.355003
121.064003 115.526001
135.080002 100.954002
151.074997 186.953003
173.496994 245.354004
179.069 168.307007
181.085007 1086.213989
223.113007 12.601
231.216995 13.234
247.132004 9.098
319.225006 13.834
321.23999 9.118
321.73999 6.44
335.218994 106.267998
337.234009 444.681
377.156006 9.787
407.424988 17.056
425.562988 14.027
440.075012 6.256
454.243988 14.032
457.218994 12.189
497.286011 10.907
514.289978 7.933
END IONS
BEGIN IONS
SCANS=1064
PEPMASS=583.41101
CHARGE=1
COLLISION_ENERGY=0.0
69.563004 4.104
70.065002 567.512024
82.072998 1.254
96.080002 1.711
99.067001 5.314
112.074997 1.212
170.662003 0.515
173.496994 35.651001
179.070007 2.434
205.072998 2.788
220.095993 22.750999
238.106995 61.803001
260.237 2.186
277.041992 1.589
278.247009 1211.514038
306.169006 72.740997
330.601013 0.615
371.644012 1.043
418.104004 1.071
418.822998 0.802
END IONS
BEGIN IONS
SCANS=1065
PEPMASS=584.323
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 27.091
79.054001 4.61
81.060997 71.995003
95.084999 84.023003
99.919998 7.701
123.080002 36.397999
151.074997 38.0
163.037994 58.771999
173.496002 208.317001
181.078995 68.095001
189.016998 39.682999
207.028 12.099
255.100006 7.925
267.100006 7.535
285.110992 45.006001
303.122009 107.700996
313.106995 52.252998
337.106995 28.798
339.085999 30.971001
355.117004 55.098999
407.184998 37.291
417.170013 3.09
435.178986 77.734001
453.190002 856.573975
489.22699 3.016
END IONS
BEGIN IONS
SCANS=1066
PEPMASS=584.35901
CHARGE=1
COLLISION_ENERGY=0.0
64.928001 31.385
81.013 88.274002
95.084999 131.416
123.080002 49.702999
148.729004 188.143005
173.494995 165.097
205.048996 42.984001
219.063995 59.056
226.386002 37.91
238.106995 41.384998
245.080002 69.083
343.154999 32.007
452.343994 31.452
473.464996 32.105
END IONS
BEGIN IONS
SCANS=1067
PEPMASS=584.474
CHARGE=1
COLLISION_ENERGY=0.0
68.288002 12.004
68.825996 12.379
73.332001 14.48
87.043999 22.306999
89.058998 263.686005
133.085007 150.764999
148.729996 91.890999
173.5 63.514999
177.112 48.116001
237.593994 14.646
296.830994 13.325
371.22699 292.885986
END IONS
BEGIN IONS
SCANS=1068
PEPMASS=585.26801
CHARGE=1
COLLISION_ENERGY=0.0
63.383999 23.773001
65.028999 708.674011
70.065002 185.113007
71.067001 44.787998
96.999001 19.353001
148.731003 271.903015
173.498001 1712.473999
179.069 160.781998
181.085007 227.923004
203.067001 110.811996
219.061005 17.989
220.070007 71.660004
280.260986 558.481995
303.119995 428.93399
305.13501 1994.912964
319.11499 1002.963989
321.130005 290.290009
323.145996 347.945007
387.177002 13.758
410.380005 3.276
499.192993 6.778
500.200012 123.764999
501.260986 11.073
END IONS
BEGIN IONS
SCANS=1069
PEPMASS=585.37701
CHARGE=1
COLLISION_ENERGY=0.0
65.041 125.290001
109.064003 86.150002
121.064003 97.333
135.080002 96.688004
151.074997 148.535995
173.496994 636.455994
181.085007 983.737976
203.067001 15.863
219.061996 13.298
221.078003 17.819
246.695007 5.473
275.088013 25.558001
305.13501 366.837006
319.22699 14.427
337.234009 118.037003
339.248993 14.185
377.602997 9.704
394.381012 9.264
409.371002 9.281
419.213989 5.102
499.302002 51.48
516.304993 15.478
END IONS
BEGIN IONS
SCANS=1070
PEPMASS=586.41101
CHARGE=1
COLLISION_ENERGY=0.0
69.07 53.958
73.977997 3.961
74.377998 4.052
102.75 4.359
121.064003 7.777
123.080002 12.053
149.059006 7.003
151.074997 9.935
173.496002 73.831001
177.089996 5.497
179.070007 603.642029
247.132004 206.147003
257.53299 3.96
END IONS
BEGIN IONS
SCANS=1071
PEPMASS=587.28302
CHARGE=1
COLLISION_ENERGY=0.0
72.209 7.942
76.283997 14.629
76.806999 7.006
85.887001 8.037
86.713997 7.013
96.554001 7.429
135.080002 7.488
154.362 7.136
173.496994 164.102005
177.009995 8.13
220.070007 58.518002
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236.065002 8.161
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275.123993 12.356
287.123993 7.642
305.13501 3586.541016
383.259003 0.735
401.144012 1.61
419.154999 1.178
423.274994 0.666
446.191986 0.659
467.190002 0.623
485.201996 5.606
END IONS
BEGIN IONS
SCANS=1072
PEPMASS=587.284
CHARGE=1
COLLISION_ENERGY=0.0
65.252998 50.980999
78.850998 13.808
92.305 14.184
129.485001 14.33
139.257996 17.816
173.494003 174.490005
201.050995 41.566002
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204.074997 39.077999
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263.088013 31.893
276.131989 42.497002
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305.13501 72.910004
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323.145996 48.301998
354.480011 14.628
409.82901 13.486
485.213989 31.083
487.191986 25.138
502.21701 39.140999
END IONS
BEGIN IONS
SCANS=1073
PEPMASS=587.32001
CHARGE=1
COLLISION_ENERGY=0.0
65.257004 108.050003
69.07 9.232
121.064003 10.22
135.080002 15.561
151.074997 12.788
179.070007 89.138
181.085007 66.272003
195.009003 15.706
223.003998 53.681
250.998993 58.833
253.014999 116.073997
271.026001 44.331001
321.078003 41.756001
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353.119995 21.969
354.127991 8.625
414.075012 5.023
415.082001 46.195999
425.265991 155.770004
433.092987 11.968
465.134003 9.327
483.144989 43.549999
503.259003 3.075
519.255981 5.053
559.322021 17.549
END IONS
BEGIN IONS
SCANS=1074
PEPMASS=587.47101
CHARGE=1
COLLISION_ENERGY=0.0
71.084999 577.557007
73.028 464.002014
77.004997 252.764999
85.100998 375.972992
97.100998 154.130005
105.0 3158.231934
148.731995 104.573997
173.496994 875.697021
179.070007 59.786999
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204.947998 4.85
213.220993 11.908
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260.388 4.651
265.563995 4.218
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301.218994 149.397003
319.230011 155.005005
352.230011 4.484
360.212006 6.394
373.240997 449.878998
391.89801 3.877
392.705994 4.187
404.609985 5.327
END IONS
BEGIN IONS
SCANS=1075
PEPMASS=588.354
CHARGE=1
COLLISION_ENERGY=0.0
69.07 7.974
93.07 16.306999
109.064003 23.982
121.064003 32.750999
135.080002 29.014
151.074997 48.314999
153.089996 40.131001
165.089996 32.001999
181.085007 552.851013
209.080002 192.639999
277.143005 24.033001
END IONS
BEGIN IONS
SCANS=1076
PEPMASS=588.39001
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 28.999001
81.07 97.458
95.084999 158.300003
105.0 44.729
123.068001 223.304993
167.033005 240.242996
173.496994 92.686996
177.054001 16.304001
193.048996 116.919998
195.028 126.691002
205.048996 15.926
245.115997 14.889
255.100006 4.221
273.110992 66.432999
291.122009 743.474976
297.221008 1.878
364.380005 2.111
373.240997 1.992
END IONS
BEGIN IONS
SCANS=1077
PEPMASS=590.33301
CHARGE=1
COLLISION_ENERGY=0.0
69.069 38.731998
73.065002 7.12
95.084999 12.769
101.058998 86.012001
121.064003 31.292999
151.074997 17.145
173.496002 51.558998
179.070007 421.506012
181.085007 22.208
195.065002 9.974
239.804993 6.822
247.132004 87.853996
263.127014 17.114
279.122009 167.998993
END IONS
BEGIN IONS
SCANS=1078
PEPMASS=590.40601
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 38.021999
79.054001 24.940001
81.069 103.671997
95.084999 162.427994
123.065002 195.445007
167.033005 249.841003
173.498001 238.119995
177.054001 50.049999
193.048996 114.206001
195.028 98.788002
234.113998 8.952
265.143005 33.585999
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291.122009 573.314026
347.88501 9.645
354.533997 8.074
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376.210999 11.095
400.931 11.002
END IONS
BEGIN IONS
SCANS=1079
PEPMASS=590.44202
CHARGE=0
COLLISION_ENERGY=0.0
67.054001 16.663
72.546997 8.726
81.07 53.917999
85.064003 32.125
95.084999 68.973
123.058998 71.259003
167.033005 97.529999
173.496002 167.434006
181.085007 32.771999
193.048996 37.278
195.028 39.266998
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265.143005 64.970001
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291.122986 207.727997
296.554993 9.256
355.445007 8.553
416.820007 10.536
485.481995 8.469
509.362 13.361
END IONS
BEGIN IONS
SCANS=1080
PEPMASS=592.349
CHARGE=1
COLLISION_ENERGY=0.0
69.069 8.21
85.064003 10.953
91.054001 5.442
95.084999 9.44
121.064003 14.697
123.080002 21.492001
151.074997 14.839
179.070007 319.929993
181.085007 11.004
233.153 12.695
247.132004 15.737
263.127014 5.2
267.252014 1.646
281.138 529.559021
301.156006 1.762
325.449005 1.589
334.098999 2.059
370.313995 1.554
END IONS
BEGIN IONS
SCANS=1081
PEPMASS=592.42102
CHARGE=1
COLLISION_ENERGY=0.0
63.516998 27.259001
63.758999 24.459
66.644997 28.205
67.143997 24.372999
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80.598999 27.02
133.513 30.643999
167.033997 31.834
173.496994 528.627991
195.028 45.992001
233.360001 32.229
291.122009 172.238007
END IONS
BEGIN IONS
SCANS=1082
PEPMASS=593.26001
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 6.963
85.065002 19.525999
91.054001 6.919
109.065002 8.354
121.065002 9.957
123.080002 10.428
149.059006 12.199
151.074997 26.201
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195.065002 116.195999
207.065002 58.234001
217.121994 45.619999
219.065002 120.707001
261.112 266.598999
279.122009 272.929993
END IONS
BEGIN IONS
SCANS=1083
PEPMASS=593.34601
CHARGE=1
COLLISION_ENERGY=0.0
65.926003 198.688995
71.168999 8.815
76.149002 9.883
81.514999 5.704
106.811996 9.28
122.913002 10.088
148.335999 13.229
173.496002 250.973999
181.085007 18.209999
187.110001 9.625
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209.363998 9.559
240.602005 8.941
274.903015 6.074
313.104004 1301.504028
349.002014 8.629
351.291992 8.645
354.131012 24.611
377.237 13.232
392.029999 7.241
396.761993 7.061
END IONS
BEGIN IONS
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PEPMASS=594.30402
CHARGE=1
COLLISION_ENERGY=0.0
66.914001 12.233
70.362 8.507
82.101997 7.194
94.142998 8.294
103.733002 8.18
114.744003 7.34
168.511002 8.562
173.496994 196.804001
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201.369003 7.524
229.070007 9.759
259.080994 69.526001
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289.140015 73.871002
307.768005 8.58
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328.151001 1358.376953
333.069 12.889
END IONS
BEGIN IONS
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PEPMASS=595.25201
CHARGE=1
COLLISION_ENERGY=0.0
66.138 76.177002
69.248001 7.979
121.064003 77.787003
123.080002 52.506001
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153.089996 87.071999
173.498993 62.283001
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181.085007 612.401978
219.061996 17.353001
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280.261993 8.127
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347.109009 300.455994
398.096985 13.997
411.105011 30.957001
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439.126007 52.806999
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479.098999 3.584
493.933014 8.886
509.162994 44.887001
END IONS
BEGIN IONS
SCANS=1086
PEPMASS=595.36102
CHARGE=1
COLLISION_ENERGY=0.0
66.150002 91.692001
68.392998 14.946
72.545998 14.546
97.271004 15.817
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118.432999 14.593
150.360001 14.295
173.496994 1037.745972
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286.39801 17.959999
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458.695007 19.903999
END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
76.740997 6.253
77.615997 6.562
91.054001 65.374001
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144.080002 30.440001
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265.286011 6.1
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333.123993 8.197
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392.184998 78.997002
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END IONS
BEGIN IONS
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PEPMASS=597.341
CHARGE=1
COLLISION_ENERGY=0.0
70.442001 12.65
100.855003 14.978
148.733994 129.388
157.876999 14.026
173.496994 101.630997
217.046005 44.462002
233.041 34.908001
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
67.054001 18.482
81.07 54.351002
93.07 28.66
95.084999 52.033001
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167.033005 100.835999
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END IONS
BEGIN IONS
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PEPMASS=599.32202
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 62.811001
79.054001 66.753998
81.07 123.296997
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123.065002 92.160004
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489.138 1.373
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END IONS
BEGIN IONS
SCANS=1091
PEPMASS=600.21198
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COLLISION_ENERGY=0.0
93.069 7.751
95.084999 115.905998
105.069 6.119
123.075996 99.642998
167.033005 18.597
193.048996 40.348999
195.028 15.335
205.048996 13.167
223.026993 5.557
267.067993 17.881001
285.07901 77.213997
291.122009 109.225998
303.089996 89.190002
321.100006 125.775002
347.079987 143.722
365.089996 44.375999
383.101013 4.335
453.121002 11.828
455.153015 605.724976
455.654999 109.323997
471.131989 8.078
497.110992 65.461998
515.120972 4.472
531.203979 10.831
549.215027 2.629
575.19397 11.356
619.182983 133.164001
620.187012 16.708
637.19397 13.436
638.197998 0.598
676.27002 0.874
878.244019 1.057
END IONS
BEGIN IONS
SCANS=1092
PEPMASS=600.46899
CHARGE=1
COLLISION_ENERGY=0.0
65.517998 16.142
67.32 14.794
69.939003 14.049
79.417999 14.053
89.058998 375.346985
89.271004 14.64
133.085007 230.809998
148.731995 102.393997
173.494003 61.636002
177.112 73.299004
205.576996 17.597
207.345993 16.704
221.138 34.055
252.192001 14.481
END IONS
BEGIN IONS
SCANS=1093
PEPMASS=602.37
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 13.923
69.07 9.398
70.065002 30.655001
88.074997 84.139
95.084999 16.400999
106.085999 516.343994
165.089996 5.401
173.496994 120.505997
179.070007 111.960999
193.048996 37.140999
238.569 5.097
247.132004 33.473999
279.233002 7.198
321.791992 4.265
364.911011 4.097
END IONS
BEGIN IONS
SCANS=1094
PEPMASS=602.40601
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 49.783001
81.07 73.299004
95.084999 71.525002
106.085999 16.337999
109.100998 22.75
123.115997 15.112
173.494003 14.803
193.048996 260.67099
209.153 11.223
211.059006 236.998993
243.210007 6.983
261.221008 8.438
279.200989 176.307007
323.085999 8.725
324.088989 7.857
332.811005 3.573
383.03299 3.071
393.998993 2.928
END IONS
BEGIN IONS
SCANS=1095
PEPMASS=603.21997
CHARGE=1
COLLISION_ENERGY=0.0
67.029999 9.47
78.276001 9.247
81.069 1.019
95.084999 15.75
123.080002 7.189
148.729996 0.907
167.033005 0.687
173.496994 15.496
191.031006 4.441
193.048996 2.773
205.048996 0.428
313.104004 1882.300049
323.145996 18.561001
331.11499 11.419
393.153992 0.544
411.165009 4.189
437.144989 0.852
455.153015 0.541
457.151001 0.619
457.652008 5.708
458.153015 4.246
515.22699 2.665
533.23999 0.499
END IONS
BEGIN IONS
SCANS=1096
PEPMASS=603.255
CHARGE=1
COLLISION_ENERGY=0.0
63.398998 19.468
67.028 43.292
72.080002 21.596001
79.332001 18.613001
88.759003 33.702999
148.729996 267.65799
173.496994 430.378998
179.069 145.964005
181.085007 78.943001
217.046005 107.742996
219.061996 106.242996
268.135986 26.052999
274.143005 18.743
287.123993 117.282997
289.140015 521.695984
353.919006 20.237
355.115997 265.721985
358.721985 19.038
397.125 19.639999
398.134003 19.368
430.52301 17.976
467.203003 123.611
484.605988 21.476999
517.184021 26.545
519.164978 15.649
532.049988 21.391001
534.187988 19.625999
535.192017 14.449
END IONS
BEGIN IONS
SCANS=1097
PEPMASS=609.31897
CHARGE=0
COLLISION_ENERGY=0.0
65.163002 18.396
67.709999 38.556
85.288002 18.127001
98.373001 17.733999
128.903 17.955
135.026993 19.323
169.764999 17.386999
173.498001 481.347992
215.432999 16.716
242.218002 17.250999
260.480988 17.122
271.522003 18.506001
341.210999 301.57901
END IONS
BEGIN IONS
SCANS=1098
PEPMASS=609.453
CHARGE=1
COLLISION_ENERGY=0.0
65.871002 54.98
67.716003 504.631989
75.977997 15.0
97.792 56.562
121.439003 20.643999
138.654007 22.280001
150.011993 20.013
173.498001 1697.697998
196.132004 19.98
202.136002 31.452999
215.020004 11.866
238.173004 20.634001
289.140015 581.911011
291.227997 161.906998
299.106995 6.792
303.122986 20.125999
341.210999 2389.788086
343.223999 69.446999
386.660004 7.481
402.15799 6.83
418.252014 9.368
498.200989 8.394
END IONS
BEGIN IONS
SCANS=1099
PEPMASS=611.21002
CHARGE=1
COLLISION_ENERGY=0.0
66.199997 0.765
71.231003 0.752
79.275002 4.393
86.335999 0.757
121.859001 0.8
134.994995 0.758
156.578995 0.828
164.356995 0.805
173.496994 7.469
209.065002 1.985
221.371994 0.836
266.639008 0.869
317.098999 962.638
335.096985 7.393
353.108002 5.621
441.592987 0.981
494.265015 0.744
505.893005 0.817
544.512024 0.79
END IONS
BEGIN IONS
SCANS=1100
PEPMASS=611.33301
CHARGE=1
COLLISION_ENERGY=0.0
69.07 2.733
91.054001 2.725
121.064003 7.366
151.074997 12.844
173.501999 15.523
179.070007 17.849001
205.072998 22.959999
220.095993 232.662003
237.098999 20.683001
238.106995 174.733002
288.15799 5.335
305.13501 1.847
306.169006 481.151001
370.041992 1.589
END IONS
BEGIN IONS
SCANS=1101
PEPMASS=611.42902
CHARGE=1
COLLISION_ENERGY=0.0
79.654999 2.496
80.941002 2.313
100.136002 2.971
113.496002 2.631
116.614998 2.506
144.332993 2.572
173.496994 43.407001
207.944 2.649
236.623993 2.72
252.014008 2.662
297.227997 2.709
315.742004 3.005
317.208008 911.914978
341.360992 2.755
382.261993 2.732
394.174011 2.444
483.177002 2.39
514.768005 2.722
END IONS
BEGIN IONS
SCANS=1102
PEPMASS=614.48499
CHARGE=1
COLLISION_ENERGY=0.0
70.390999 9.159
87.043999 48.846001
89.058998 647.715027
112.009003 9.667
133.085007 447.075989
173.496994 458.510986
177.112 156.714996
188.466003 8.201
201.362 7.089
218.973999 7.318
221.136993 41.254002
271.13501 8.835
283.174011 14.367
295.299011 7.996
303.335999 9.849
327.200012 27.577
328.47699 10.004
352.118011 11.135
371.227997 37.375999
END IONS
BEGIN IONS
SCANS=1103
PEPMASS=615.211
CHARGE=1
COLLISION_ENERGY=0.0
69.07 30.098
121.064003 51.875
123.080002 28.917999
151.074997 60.429001
173.496002 57.883999
179.070007 501.70401
181.085007 541.633972
197.009995 71.862
247.132004 39.167
253.0 40.699001
255.014999 107.406998
283.010986 243.753998
301.020996 52.688999
305.067993 51.055
321.062988 38.893002
349.058014 7.601
369.084991 32.862
402.994995 5.799
409.449005 4.775
END IONS
BEGIN IONS
SCANS=1104
PEPMASS=615.22699
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 27.197001
81.065002 123.574997
95.084999 176.373001
115.056999 106.986
123.061996 310.371002
167.033005 182.863007
169.048996 94.179001
177.054001 59.707001
193.048996 142.873001
195.028 76.500999
245.117004 20.038
255.141006 25.184999
273.110992 79.536003
291.122009 499.701996
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325.109009 22.632
365.118011 2.413
396.718994 2.183
418.808014 1.475
423.18399 1.527
440.285004 3.095
END IONS
BEGIN IONS
SCANS=1105
PEPMASS=615.242
CHARGE=1
COLLISION_ENERGY=0.0
65.642998 40.498001
67.385002 29.174999
79.778999 402.002014
81.75 29.605
99.003998 28.242001
157.427994 30.900999
161.328995 31.944
162.145004 30.313
173.496994 1177.737061
219.194 23.5
236.634003 25.743999
265.38501 48.099998
END IONS
BEGIN IONS
SCANS=1106
PEPMASS=615.46002
CHARGE=1
COLLISION_ENERGY=0.0
64.334999 37.082001
79.351997 28.535999
84.898003 27.472
85.07 28.049999
105.933998 30.542999
113.311996 27.568001
171.886002 4.025
173.498001 602.421021
193.673996 4.061
223.503006 3.489
285.416992 3.767
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319.223999 938.887024
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395.864014 3.708
404.221008 28.122999
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420.848999 26.421
441.970001 26.753
449.605011 28.764
454.825012 29.683001
481.858002 25.789
531.859009 6.165
END IONS
BEGIN IONS
SCANS=1107
PEPMASS=615.46002
CHARGE=1
COLLISION_ENERGY=0.0
89.767998 59.523998
101.814003 57.5
110.033997 54.458
112.720001 61.796001
112.982002 54.974998
148.727005 71.186996
173.496994 370.934998
189.695999 55.761002
335.218994 93.103996
402.065002 61.103001
430.359009 59.657001
END IONS
BEGIN IONS
SCANS=1108
PEPMASS=615.46002
CHARGE=1
COLLISION_ENERGY=0.0
64.510002 42.616001
68.384003 46.575001
69.112999 44.478001
72.033997 44.168999
88.692001 38.134998
134.246994 44.546001
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173.496002 210.895996
201.630005 36.715
249.054993 36.643002
267.082001 46.348999
404.964996 42.101002
470.529999 41.599998
501.324005 43.827
END IONS
BEGIN IONS
SCANS=1109
PEPMASS=616.349
CHARGE=1
COLLISION_ENERGY=0.0
65.290001 5.812
70.065002 43.952999
77.788002 5.603
88.074997 92.705002
106.085999 627.560974
148.735992 41.983002
173.496994 44.723
181.085007 86.624001
203.024994 6.742
208.326996 5.994
241.610001 6.674
265.582001 6.386
310.584015 6.618
312.899994 6.009
327.355011 6.154
464.803009 6.46
END IONS
BEGIN IONS
SCANS=1110
PEPMASS=616.42102
CHARGE=1
COLLISION_ENERGY=0.0
65.556999 15.602
95.084999 44.311001
99.080002 17.546
106.085999 20.176001
123.080002 18.927999
167.033005 63.215
173.496002 281.18399
191.643005 17.087999
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240.548996 16.907
273.110992 23.149
291.122009 369.139008
301.156006 15.451
312.825989 15.967
494.079987 16.197001
END IONS
BEGIN IONS
SCANS=1111
PEPMASS=617.26001
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 4.936
79.054001 10.72
81.07 158.319
95.084999 25.256001
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123.043999 75.595001
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167.033005 107.505997
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273.110992 13.469
291.122009 47.546001
308.109009 9.998
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309.131989 177.246994
331.11499 7.378
396.415009 1.969
END IONS
BEGIN IONS
SCANS=1112
PEPMASS=617.26398
CHARGE=1
COLLISION_ENERGY=0.0
67.319 4.951
69.07 5.333
70.217003 4.874
84.959 184.013
102.970001 7.796
148.731003 23.546
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351.110992 252.328995
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430.154999 4.743
438.830994 4.818
477.29599 5.399
523.875977 5.094
526.015991 4.769
570.27301 5.039
571.257019 5.89
END IONS
BEGIN IONS
SCANS=1113
PEPMASS=618.36401
CHARGE=1
COLLISION_ENERGY=0.0
64.639999 5.613
69.07 95.251999
70.065002 269.358002
88.074997 635.716003
106.085999 4248.569824
119.084999 34.424999
173.496002 120.557999
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179.070007 992.39502
181.085007 24.129
233.153 16.653
244.699005 2.041
247.132004 484.44101
263.127991 1.519
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304.60199 0.88
383.153015 0.512
383.350006 0.512
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415.020996 0.552
419.010986 0.547
437.234985 1.565
446.190002 0.33
469.372009 0.177
538.890015 0.154
END IONS
BEGIN IONS
SCANS=1114
PEPMASS=618.43701
CHARGE=1
COLLISION_ENERGY=0.0
67.679001 31.747999
82.449997 32.257999
89.094002 28.445999
129.190994 34.505001
173.496994 599.616028
193.048996 49.367001
195.028 48.297001
264.141998 31.620001
291.122009 115.348
347.678986 28.794001
END IONS
BEGIN IONS
SCANS=1115
PEPMASS=619.27301
CHARGE=1
COLLISION_ENERGY=0.0
80.280998 3.418
123.041 7.52
157.016998 7.825
173.494995 19.194
175.026993 11.472
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203.067001 22.162001
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319.084991 37.207001
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355.105988 88.976997
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421.17099 1.827
433.093994 4.091
483.186005 3.345
499.136993 1.56
501.196991 4.776
583.224976 7.001
END IONS
BEGIN IONS
SCANS=1116
PEPMASS=620.29602
CHARGE=2
COLLISION_ENERGY=0.0
121.064003 3.903
123.080002 2.71
135.080002 6.279
151.074997 10.443
153.089996 7.843
159.031998 8.105
181.085007 124.579002
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260.097992 86.880997
283.153015 85.722
320.138 329.001007
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339.110992 91.478996
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416.093994 1.099
460.115997 1.078
470.214996 74.413002
470.71701 9.958
639.267029 6.597
754.333984 1.116
986.552979 1.311
END IONS
BEGIN IONS
SCANS=1117
PEPMASS=620.38
CHARGE=1
COLLISION_ENERGY=0.0
70.065002 123.999001
78.093002 2.504
88.074997 318.950012
89.921997 2.397
106.085999 2190.375
151.074997 3.416
153.089996 4.555
173.496994 111.519997
179.070007 11.376
181.085007 200.570007
244.080002 1.247
246.102005 2.507
268.210999 1.313
281.139008 1.645
301.143005 8.183
313.843994 2.906
527.916992 1.882
535.513977 1.57
END IONS
BEGIN IONS
SCANS=1118
PEPMASS=621.26801
CHARGE=1
COLLISION_ENERGY=0.0
69.028999 136.244003
71.303001 12.136
109.064003 77.821999
121.064003 82.280998
135.080002 84.105003
151.074997 154.322998
173.498001 830.64801
181.085007 619.354004
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219.061996 55.101002
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329.13501 89.769997
355.11499 70.096001
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397.897003 10.957
411.102997 83.452003
439.147003 195.279007
470.36499 7.926
473.347992 12.658
493.144989 14.017
507.161987 13.456
535.192017 81.466003
545.804016 8.055
END IONS
BEGIN IONS
SCANS=1119
PEPMASS=622.263
CHARGE=1
COLLISION_ENERGY=0.0
74.257004 22.372999
78.397003 26.118
83.036003 22.784
83.999001 23.374001
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253.490997 25.973
258.072998 104.984001
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326.135986 128.774002
END IONS
BEGIN IONS
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PEPMASS=622.33801
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 25.981001
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81.07 79.138
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508.230988 194.287003
524.263 213.565002
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586.315979 58.616001
END IONS
BEGIN IONS
SCANS=1121
PEPMASS=623.28302
CHARGE=1
COLLISION_ENERGY=0.0
69.252998 39.987
109.064003 32.008999
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439.13501 64.306999
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555.218018 33.292999
END IONS
BEGIN IONS
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PEPMASS=623.30402
CHARGE=1
COLLISION_ENERGY=0.0
80.785004 278.342987
108.153999 30.128
125.056999 29.049999
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173.496002 473.042999
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END IONS
BEGIN IONS
SCANS=1123
PEPMASS=623.30499
CHARGE=1
COLLISION_ENERGY=0.0
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80.786003 3.906
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323.145996 1736.81897
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END IONS
BEGIN IONS
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PEPMASS=626.242
CHARGE=1
COLLISION_ENERGY=0.0
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274.144012 283.458008
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457.29599 5.638
END IONS
BEGIN IONS
SCANS=1125
PEPMASS=630.328
CHARGE=1
COLLISION_ENERGY=0.0
70.065002 50.106998
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106.085999 716.43103
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263.071991 3.14
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END IONS
BEGIN IONS
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PEPMASS=631.17902
CHARGE=1
COLLISION_ENERGY=0.0
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317.587006 2.633
327.084015 929.435974
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519.926025 3.056
END IONS
BEGIN IONS
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PEPMASS=631.20502
CHARGE=1
COLLISION_ENERGY=0.0
73.545998 8.737
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173.498001 169.738998
179.070007 101.628998
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197.009995 24.077999
253.0 27.855
255.016006 50.422001
263.127014 46.935001
265.143005 42.84
283.010986 81.553001
301.020996 27.240999
367.067993 14.238
369.084015 52.738998
385.07901 17.097
396.42099 10.626
END IONS
BEGIN IONS
SCANS=1128
PEPMASS=632.25299
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 37.537998
81.064003 158.509003
95.084999 238.785995
115.056999 98.682999
123.061996 389.209015
167.033005 280.967987
169.048996 108.098
177.054001 63.054001
193.048996 187.016998
195.028 115.021004
245.117004 34.805
255.117996 12.615
273.110992 105.138
280.263 5.556
291.122009 1008.362
307.100006 4.955
325.109985 68.630997
340.730011 2.038
382.579987 2.537
408.520996 1.496
418.05899 1.595
422.117004 1.279
447.183014 25.337
470.059998 1.582
520.275024 2.105
536.239014 2.02
597.20697 2.344
END IONS
BEGIN IONS
SCANS=1129
PEPMASS=633.315
CHARGE=1
COLLISION_ENERGY=0.0
65.001999 1.09
72.198997 0.796
82.038002 9.425
85.028 0.447
102.311996 0.775
112.379997 0.829
151.399994 0.445
171.690002 0.992
173.162003 0.729
173.498001 13.734
229.070007 14.467
230.078003 14.534
244.057999 13.469
258.072998 13.492
259.080994 76.484001
260.088989 123.668999
313.127991 1.76
323.957001 0.931
328.151001 1698.261963
346.161987 6.309
369.178009 5.908
END IONS
BEGIN IONS
SCANS=1130
PEPMASS=634.15002
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 11.459
70.460999 22.597
81.069 41.257
95.084999 49.015999
123.080002 27.556
173.496002 90.353996
175.037994 22.996
177.054001 12.309
193.048004 22.903999
203.033005 15.645
248.983994 18.931
263.970001 52.484001
264.977997 89.661003
276.979004 21.403
309.204987 26.158001
334.011993 33.095001
344.033997 31.427
345.040985 19.962
362.044006 23.014
363.052002 38.292
420.997986 18.632
423.015015 23.915001
438.002014 141.843002
439.980988 10.021
442.054993 6.006
448.994995 10.634
518.065002 10.196
521.090027 8.214
536.075012 66.935997
564.625977 6.795
END IONS
BEGIN IONS
SCANS=1131
PEPMASS=634.35901
CHARGE=1
COLLISION_ENERGY=0.0
69.07 62.799999
70.065002 566.447998
85.064003 88.933998
88.074997 1322.421021
106.085999 8718.739258
148.731003 66.896004
173.498001 648.41803
179.070007 1112.38501
181.085007 157.128998
233.160004 38.98
247.132004 368.058014
263.127014 678.760986
306.28299 2.098
308.29599 15.777
313.104004 7.158
323.148987 40.603001
350.610992 0.546
393.026001 0.545
395.45401 0.35
401.046997 0.494
426.824005 0.842
429.153992 0.349
433.079987 0.729
472.425995 0.282
488.096985 0.767
491.779999 0.885
536.76001 0.553
545.221985 0.741
548.453979 0.267
END IONS
BEGIN IONS
SCANS=1132
PEPMASS=634.38599
CHARGE=1
COLLISION_ENERGY=0.0
70.065002 15.563
70.486 17.648001
79.072998 9.448
84.081001 16.73
148.729996 46.285
173.496002 46.632999
206.080002 269.915009
232.095993 22.4
233.104004 31.02
234.112 243.916
248.126999 61.226002
302.174011 95.535004
303.169006 26.757
316.190002 19.524
395.367004 7.535
397.799011 6.504
427.183014 8.849
495.369995 7.309
496.242004 9.136
END IONS
BEGIN IONS
SCANS=1133
PEPMASS=635.15698
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 38.757999
70.572998 36.650002
79.054001 18.301001
81.069 39.825001
95.084999 92.359001
123.080002 24.812
173.498993 32.674
193.048996 22.07
195.009995 16.988001
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237.020004 24.459999
262.998993 58.908001
264.977997 54.754002
301.050995 24.488001
317.04599 30.537001
327.031006 28.577999
345.040985 57.43
362.044006 11.328
363.050995 65.807999
422.003998 8.278
423.015015 6.638
424.019012 6.856
438.002014 28.663
439.006012 50.618999
467.11499 7.941
485.125 19.936001
495.071991 7.565
513.083008 14.801
537.078979 33.805
573.208984 9.08
591.166992 18.723
600.322021 12.378
END IONS
BEGIN IONS
SCANS=1134
PEPMASS=635.211
CHARGE=1
COLLISION_ENERGY=0.0
65.614998 2.354
67.429001 29.292999
73.858002 29.650999
78.762001 24.671
82.275002 313.299011
93.857002 31.427999
137.923996 33.130001
146.061005 25.620001
156.485001 29.669001
173.018997 26.114
173.498993 440.252014
219.582001 2.232
329.098999 862.961975
330.10199 82.705002
331.112 56.773998
END IONS
BEGIN IONS
SCANS=1135
PEPMASS=635.23798
CHARGE=1
COLLISION_ENERGY=0.0
68.580002 3.844
70.582001 3.975
151.074997 4.721
157.016998 16.738001
173.496002 8.568
175.026993 21.325001
179.070007 17.464001
181.085007 21.986
237.042999 27.257999
253.014999 17.093
255.052994 31.384001
319.084991 81.07
335.057007 43.714001
337.096008 330.425995
353.067993 66.072998
355.105988 189.5
371.078003 9.091
415.082001 1.679
437.14801 3.801
497.123993 7.024
514.125977 3.496
515.132996 25.403
517.174011 20.559
533.142029 6.133
599.208008 9.35
END IONS
BEGIN IONS
SCANS=1136
PEPMASS=635.33301
CHARGE=0
COLLISION_ENERGY=0.0
69.07 5.706
70.065002 13.006
85.065002 5.649
88.075996 33.987
106.085999 195.218994
107.089996 19.74
173.498001 68.313004
179.070007 20.913
194.080994 11.664
206.080994 211.192001
232.095993 11.427
234.112 13.532
260.127991 111.802002
263.127014 11.301
311.799988 3.501
336.90799 3.393
453.203003 118.264
499.205994 18.291
521.263 49.889
533.344971 3.772
567.268982 48.230999
END IONS
BEGIN IONS
SCANS=1137
PEPMASS=636.32202
CHARGE=1
COLLISION_ENERGY=0.0
71.146004 14.309
71.690002 16.806999
86.069 15.711
103.044998 16.742001
126.483002 16.82
140.990005 14.663
165.037003 35.442001
173.496994 292.864014
212.278 13.469
328.151001 82.341003
329.154999 181.283997
330.15799 157.548996
331.161011 81.077003
331.471985 15.174
363.061005 13.907
397.940002 13.288
509.164001 18.555
END IONS
BEGIN IONS
SCANS=1138
PEPMASS=637.20898
CHARGE=1
COLLISION_ENERGY=0.0
66.126999 14.447
70.800003 98.742996
72.641998 9.972
75.053001 10.851
83.5 10.104
103.059998 10.538
173.496994 435.006012
189.294998 8.033
191.031006 24.438
204.013 10.284
229.119995 10.371
248.591003 11.04
269.114014 89.547997
281.447998 9.707
307.35199 11.546
313.104004 668.640015
322.958008 8.486
347.09201 484.497009
407.977997 10.385
482.778992 14.6
END IONS
BEGIN IONS
SCANS=1139
PEPMASS=637.30701
CHARGE=1
COLLISION_ENERGY=0.0
65.038002 3.929
70.811996 14.484
83.049004 89.511002
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141.069 16.408001
147.115997 79.998001
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159.080002 14.583
173.494995 21.246
175.014999 18.504
221.035995 3.934
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239.046005 24.927999
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393.085999 85.158997
413.053986 5.306
416.070007 3.325
469.117004 40.389999
476.028992 3.719
494.40799 3.783
525.179016 85.582001
581.242004 253.235992
END IONS
BEGIN IONS
SCANS=1140
PEPMASS=639.242
CHARGE=1
COLLISION_ENERGY=0.0
68.189003 1.744
68.640999 1.151
82.778 14.139
91.527 1.037
152.914001 1.177
156.960007 0.345
173.496994 48.999001
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225.059998 8.118
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262.01001 0.439
287.125 3.728
291.118988 3.49
313.104004 25.122999
331.11499 2816.584961
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399.088989 0.494
401.070007 0.476
END IONS
BEGIN IONS
SCANS=1141
PEPMASS=639.31403
CHARGE=1
COLLISION_ENERGY=0.0
69.032997 13.519
71.035004 59.894001
81.07 6.324
95.084999 6.961
132.994995 4.849
171.009995 9.975
173.059006 5.627
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208.990005 8.229
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251.0 7.238
266.994995 16.076
273.144989 7.439
313.104004 208.871002
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331.187012 477.540009
349.053986 60.686001
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411.251007 4.625
419.39801 3.826
453.26001 4.623
471.269989 4.794
577.312012 20.098
595.320984 7.134
END IONS
BEGIN IONS
SCANS=1142
PEPMASS=641.242
CHARGE=0
COLLISION_ENERGY=0.0
79.054001 10.405
85.010002 23.636999
91.054001 12.543
95.084999 16.823
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165.091003 86.410004
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231.136993 57.494999
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285.112 44.095001
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339.085999 20.27
343.117004 27.257
357.096008 17.82
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399.179993 11.558
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435.179993 6.587
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461.268005 15.221
495.147003 5.384
521.252014 10.137
527.171997 11.775
537.156982 18.558001
555.166992 30.305
573.177002 80.567001
585.177979 9.22
END IONS
BEGIN IONS
SCANS=1143
PEPMASS=641.33197
CHARGE=1
COLLISION_ENERGY=0.0
79.054001 10.667
85.010002 16.371
91.054001 15.781
95.084999 10.422
135.080002 39.182999
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177.091003 65.778999
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217.121994 33.801998
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331.117004 46.445999
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381.204987 16.447001
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461.268005 36.144001
479.278015 10.233
521.250977 7.189
527.171997 9.077
537.156006 14.123
555.166992 16.201
573.177002 48.679001
585.177979 5.118
END IONS
BEGIN IONS
SCANS=1144
PEPMASS=644.34399
CHARGE=1
COLLISION_ENERGY=0.0
70.065002 46.533001
85.851997 4.128
88.074997 108.907997
95.084999 6.943
106.085999 721.479004
151.223007 3.532
173.496994 33.000999
174.087997 3.792
188.119003 3.32
295.294006 4.26
303.122986 7.187
304.346985 3.999
312.440002 3.798
435.182007 3.946
453.19101 45.173
END IONS
BEGIN IONS
SCANS=1145
PEPMASS=647.19897
CHARGE=1
COLLISION_ENERGY=0.0
79.054001 12.58
81.069 43.879002
95.084999 69.310997
113.041 55.625
123.064003 89.438004
167.033005 115.129997
173.494995 47.039001
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195.028 68.209999
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291.121002 221.988007
323.093994 65.041
339.071991 5.738
377.350006 3.759
379.84201 3.794
445.937988 4.195
END IONS
BEGIN IONS
SCANS=1146
PEPMASS=652.37
CHARGE=1
COLLISION_ENERGY=0.0
70.065002 64.884003
75.184998 6.595
78.931 6.579
88.074997 186.188995
106.085999 1201.014038
141.054001 8.239
151.074997 3.234
173.496002 178.847
179.070007 107.832001
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233.153 1.608
247.132004 7.609
248.039001 1.106
274.753998 1.057
281.138 204.143997
330.570007 5.766
352.102997 1.247
494.352997 1.303
542.46698 8.286
END IONS
BEGIN IONS
SCANS=1147
PEPMASS=654.23401
CHARGE=1
COLLISION_ENERGY=0.0
75.345001 3.525
83.640999 3.434
89.792999 3.162
105.069 4.417
151.074997 7.637
173.496994 48.241001
179.069 16.865999
181.085007 16.261999
224.011993 30.094
235.005005 24.114
236.011993 56.23
250.998993 44.296001
252.007004 92.583
254.022995 20.669001
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384.063995 14.272
399.052002 26.694
414.075012 105.195
432.085999 170.807007
440.091003 37.522999
450.096008 113.047997
458.10199 63.700001
476.112 18.177999
498.134003 6.253
516.143005 35.942001
END IONS
BEGIN IONS
SCANS=1148
PEPMASS=654.33301
CHARGE=1
COLLISION_ENERGY=0.0
70.810997 24.153
83.049004 65.898003
91.054001 13.255
105.069 13.342
141.069 17.228001
147.115997 66.357002
163.014999 11.318
173.498001 82.120003
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221.035004 4.034
227.046005 12.953
239.046005 24.162001
252.203003 3.846
295.109009 7.097
312.96701 3.996
320.803986 3.747
337.02301 145.054993
368.942993 4.239
393.085999 82.443001
413.054993 8.502
469.117004 38.712002
484.337006 3.876
525.179016 136.042007
581.241028 208.022003
END IONS
BEGIN IONS
SCANS=1149
PEPMASS=655.43402
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 529.822021
79.054001 556.799011
81.069 710.146973
93.07 735.164001
95.084999 569.362976
135.115997 308.769012
149.132004 434.561005
163.147003 108.411003
173.496994 1162.410034
233.225998 59.730999
243.210007 372.858002
261.221008 1643.967041
279.231995 57.380001
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334.158997 2.982
337.022003 2.891
359.197998 2322.733887
377.209015 162.059006
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430.279999 2.431
446.792999 2.447
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458.614014 2.387
485.815002 2.351
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526.184021 5.671
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END IONS
BEGIN IONS
SCANS=1150
PEPMASS=656.25299
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 38.167999
69.07 18.67
79.054001 44.823002
81.07 97.514999
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123.065002 145.817001
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173.494995 159.785004
193.048996 121.239998
194.080994 42.646999
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218.080994 199.229996
252.067993 1014.747986
264.085999 93.299004
291.122009 148.649002
298.074005 226.595001
320.131012 1035.281982
332.148987 21.726999
348.126007 34.529999
366.135986 1836.886963
392.152008 16.034
404.656006 2.057
440.75 1.677
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460.213989 62.215
496.783997 0.819
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544.90802 0.383
560.19397 6.373
END IONS
BEGIN IONS
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PEPMASS=659.28802
CHARGE=1
COLLISION_ENERGY=0.0
73.252998 92.539001
75.225998 32.376999
77.136002 30.539
133.830994 34.835999
153.395004 35.259998
166.154007 33.368
173.496002 741.080994
END IONS
BEGIN IONS
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PEPMASS=662.28802
CHARGE=2
COLLISION_ENERGY=0.0
98.974998 22.315001
135.080002 16.356001
151.074997 26.778
153.089996 19.73
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181.085007 374.703003
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323.115997 10.508
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467.15799 33.092999
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542.143005 4.363
712.309021 2.014
809.286011 8.51
891.869019 1.715
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END IONS
BEGIN IONS
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PEPMASS=663.27802
CHARGE=1
COLLISION_ENERGY=0.0
73.695999 44.889999
121.064003 27.002001
135.080002 17.969999
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448.072998 10.0
507.161987 66.899002
END IONS
BEGIN IONS
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PEPMASS=664.22498
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 10.681
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81.069 32.723999
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113.041 44.030998
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END IONS
BEGIN IONS
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PEPMASS=664.24402
CHARGE=1
COLLISION_ENERGY=0.0
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75.383003 20.169001
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END IONS
BEGIN IONS
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PEPMASS=669.18103
CHARGE=1
COLLISION_ENERGY=0.0
74.351997 52.386002
76.771004 20.976
93.762001 22.561001
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END IONS
BEGIN IONS
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PEPMASS=670.17102
CHARGE=1
COLLISION_ENERGY=0.0
66.043999 2.482
74.461998 14.197
79.054001 8.816
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572.096985 20.253
END IONS
BEGIN IONS
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PEPMASS=671.39301
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 4.44
69.07 39.838001
91.054001 5.142
95.074997 55.889999
121.064003 72.191002
123.080002 47.192001
151.074997 24.006001
173.498001 291.54599
179.070007 817.515015
237.901993 5.711
243.735992 1.465
247.132004 55.000999
253.378006 5.126
266.229004 1.464
289.747009 4.983
322.910004 5.57
329.639008 5.261
372.84201 1.691
382.980988 5.255
425.265991 1511.28894
443.273987 1.758
466.291992 8.983
467.997986 1.564
528.539001 5.087
535.265991 4.656
548.163025 7.019
END IONS
BEGIN IONS
SCANS=1159
PEPMASS=675.28198
CHARGE=2
COLLISION_ENERGY=0.0
94.606003 0.637
133.927994 0.866
173.496994 18.579
195.065002 27.174999
207.031998 26.743
225.042999 24.326
251.022003 29.052
257.03299 12.627
269.03299 66.177002
287.042999 32.047001
320.072998 30.584999
329.078003 9.38
354.104004 11.065
388.13501 9.24
401.089996 23.007
408.096008 39.583
419.101013 12.155
427.070007 17.990999
445.079987 133.235001
463.091003 127.825996
476.15799 28.618
510.188995 50.368
510.69101 10.694
513.142029 12.416
544.221008 78.391998
544.721985 9.997
621.127014 11.121
639.137024 10.635
707.198975 21.429001
708.203979 2.829
757.252014 54.042999
758.255005 7.051
775.262024 29.136999
776.263 2.36
798.281006 1.402
END IONS
BEGIN IONS
SCANS=1160
PEPMASS=677.271
CHARGE=1
COLLISION_ENERGY=0.0
75.250999 30.046
81.056 69.565002
97.039001 98.116997
107.059998 18.961
133.076004 60.504002
167.033005 274.626007
175.121994 94.365997
189.054001 14.804
193.048996 17.895
195.028 95.237
269.105988 3.391
273.110992 10.03
291.122009 6.72
309.807007 3.254
369.144989 3.32
387.154999 175.315994
423.191986 5.016
428.04599 3.519
465.238007 15.313
END IONS
BEGIN IONS
SCANS=1161
PEPMASS=677.41602
CHARGE=1
COLLISION_ENERGY=0.0
68.600998 24.677
70.507004 17.860001
71.502998 18.135
75.267998 212.434006
90.672997 25.636
120.966003 467.127014
148.731003 509.30899
173.498001 368.23999
174.042007 15.205
184.712006 13.319
186.634003 13.795
212.496002 13.211
230.160995 12.996
249.376999 14.003
275.776001 11.113
289.102997 11.999
301.213989 50.852001
319.223999 92.377998
364.917999 13.5
369.792999 15.611
393.76001 13.998
397.403992 13.539
399.188995 965.215027
441.73999 13.682
459.010986 15.701
END IONS
BEGIN IONS
SCANS=1162
PEPMASS=678.23499
CHARGE=1
COLLISION_ENERGY=0.0
67.369003 22.223
75.359001 69.420998
77.984001 23.91
99.349998 21.624001
126.396004 19.783001
156.634003 21.250999
173.498001 421.118988
196.772003 20.094999
242.078003 61.192001
273.05899 30.377001
313.104004 135.770996
319.048004 58.594002
354.131012 52.955002
355.213989 20.497999
376.631989 21.188
END IONS
BEGIN IONS
SCANS=1163
PEPMASS=682.36401
CHARGE=1
COLLISION_ENERGY=0.0
80.834999 10.474
83.049004 42.664001
96.672997 11.319
123.366997 12.492
147.115997 28.816
148.733002 73.083
173.498001 64.047997
210.658005 9.62
337.02301 102.075996
339.910004 10.218
393.085999 54.521999
469.118011 30.549999
525.179016 90.934998
581.242004 128.589005
637.304016 320.209015
638.85498 10.386
END IONS
BEGIN IONS
SCANS=1164
PEPMASS=685.27502
CHARGE=1
COLLISION_ENERGY=0.0
78.290001 3.872
83.278999 4.16
84.959 23.323999
87.955002 4.098
115.005997 8.404
141.022003 6.284
159.031998 21.746
173.494995 68.765999
177.042999 20.645
181.085007 21.322001
237.042007 40.824001
255.052994 88.660004
273.063995 35.977001
281.069 36.993999
295.084991 56.083
321.100006 40.611
339.110992 126.266998
357.122009 21.413
385.115997 352.806
435.134003 4.176
437.417999 4.298
451.907013 4.848
472.332001 4.421
END IONS
BEGIN IONS
SCANS=1165
PEPMASS=688.22498
CHARGE=1
COLLISION_ENERGY=0.0
79.054001 6.578
81.07 23.441
82.907997 7.197
95.084999 24.566999
113.042 11.502
148.733002 78.275002
173.494995 95.047997
177.054001 15.334
193.048996 55.826
206.080994 204.123001
250.057999 340.881012
273.112 88.376999
284.040009 24.681
291.122009 21.349001
296.058014 335.946014
330.04599 141.617004
352.102997 34.410999
364.121002 270.829987
377.123993 8.121
398.109009 130.651993
452.119995 20.607
592.164001 6.736
606.567017 11.098
END IONS
BEGIN IONS
SCANS=1166
PEPMASS=688.28699
CHARGE=1
COLLISION_ENERGY=0.0
76.474998 24.459999
81.063004 27.136999
95.059998 28.313
148.729004 25.677
167.033005 176.128998
173.498993 31.059
192.065002 34.092999
195.028 51.386002
206.080994 31.621
270.087006 17.127001
271.095001 17.733
284.102997 43.457001
285.110992 38.291
286.118011 155.820007
354.181 46.487999
371.158997 6.671
384.576996 6.142
516.859009 5.703
560.195007 7.045
574.218018 16.306
575.224976 25.834999
576.232971 53.929001
576.445007 6.258
620.221008 10.351
644.296021 102.349998
END IONS
BEGIN IONS
SCANS=1167
PEPMASS=689.49597
CHARGE=1
COLLISION_ENERGY=0.0
76.610001 35.140999
83.066002 20.573999
95.144997 24.434999
100.890999 20.070999
144.919998 22.087
157.731995 20.486
160.917999 20.919001
173.498993 566.978027
208.464005 19.684
215.759995 22.195
309.273987 22.591999
353.229004 41.481998
383.790009 21.511999
403.502991 22.034
409.253998 23.070999
534.901978 28.414
540.307983 21.584999
540.614014 24.231001
583.690979 22.51
END IONS
BEGIN IONS
SCANS=1168
PEPMASS=690.30298
CHARGE=1
COLLISION_ENERGY=0.0
76.698997 69.224998
81.07 34.521999
94.052002 25.311001
95.059998 166.863007
167.033005 344.231995
192.065002 37.327999
194.080994 35.979
195.028 103.987999
206.080994 85.181999
284.10199 57.125999
285.109985 53.480999
286.118011 284.205994
288.134003 114.094002
332.123993 70.945999
354.181 184.975006
358.139008 12.553
382.212006 12.143
385.174988 47.519001
400.186005 50.444
426.201996 10.497
468.187988 1.491
476.395996 1.535
498.684998 2.04
516.211975 1.254
518.229004 6.427
562.21698 14.946
574.216003 13.151
575.223999 32.75
576.231995 56.630001
578.249023 10.548
622.237976 26.247
END IONS
BEGIN IONS
SCANS=1169
PEPMASS=694.46899
CHARGE=1
COLLISION_ENERGY=0.0
67.054001 9.696
69.07 124.330002
93.07 28.549
95.084999 37.672001
121.064003 88.292
123.080002 79.723
151.074997 48.34
173.496994 185.192993
179.070007 1656.472046
245.345001 6.961
247.132004 661.551025
257.654999 3.557
282.141998 0.978
309.605011 0.951
311.162994 3.442
323.28299 1.137
342.661011 1.039
381.769989 4.407
430.312012 1.175
436.471008 4.069
453.605988 3.866
474.67099 4.085
476.128998 1.072
497.45401 1.27
563.335999 1.914
569.583984 4.598
END IONS
BEGIN IONS
SCANS=1170
PEPMASS=697.32098
CHARGE=1
COLLISION_ENERGY=0.0
72.738998 15.851
77.480003 59.889
79.07 14.116
103.024002 17.091
165.089996 55.924
173.498993 200.011002
179.070007 51.43
203.052002 61.261002
248.643997 15.918
262.027008 15.359
274.779999 18.787001
287.125 29.587
315.128998 18.02
365.118988 110.611
374.75 19.194
381.114014 21.059
382.122986 31.919001
383.130005 47.085999
449.177002 39.737999
451.192993 141.546005
491.61499 15.602
END IONS
BEGIN IONS
SCANS=1171
PEPMASS=698.5
CHARGE=1
COLLISION_ENERGY=0.0
77.101997 24.607
77.456001 21.577999
91.054001 44.890999
97.130997 21.132999
119.084999 532.611023
148.735001 175.128998
173.498001 154.235992
225.035995 25.816
END IONS
BEGIN IONS
SCANS=1172
PEPMASS=699.39801
CHARGE=1
COLLISION_ENERGY=0.0
69.762001 11.32
77.709999 13.914
95.084999 17.465
124.936996 93.334
142.947998 169.358994
158.585007 13.087
173.496002 263.541992
187.072006 20.732
199.524002 12.633
203.067993 14.743
222.371994 11.187
258.888 13.403
306.278992 17.82
307.281006 12.569
341.208008 12.418
395.682007 12.03
421.174988 290.446014
END IONS
BEGIN IONS
SCANS=1173
PEPMASS=702.258
CHARGE=1
COLLISION_ENERGY=0.0
81.07 103.258003
95.084999 112.802002
98.096001 144.552002
113.042 122.058998
123.043999 100.107002
167.033005 305.895996
185.063004 25.374001
193.048996 146.110001
195.028 106.362999
202.089005 675.544983
245.115997 14.108
271.096008 9.337
273.112 35.013
291.122009 72.995003
305.084015 25.66
323.093994 80.250999
343.125 1.886
370.131989 24.915001
378.855011 1.077
412.141998 805.856018
425.899994 1.951
448.394012 0.974
492.20401 50.535999
497.518005 0.521
574.310974 2.639
575.208008 1.049
END IONS
BEGIN IONS
SCANS=1174
PEPMASS=706.297
CHARGE=1
COLLISION_ENERGY=0.0
76.474998 13.821
81.07 21.662001
94.052002 8.766
95.059998 32.181999
165.054001 8.235
167.033005 179.013
173.496002 30.521999
192.065002 37.750999
195.028 58.792
206.080994 27.993
270.087006 16.934999
271.095001 17.079
284.10199 35.729
285.109985 34.963001
286.118011 186.235001
354.181 46.594002
366.181 2.573
371.160004 4.813
372.167999 1.682
380.196991 3.479
385.175995 3.227
545.215027 4.018
546.223999 4.355
560.200989 8.653
574.21698 19.07
575.224976 22.865
576.232971 50.183998
620.223999 4.628
644.294006 97.470001
END IONS
BEGIN IONS
SCANS=1175
PEPMASS=709.38098
CHARGE=1
COLLISION_ENERGY=0.0
93.069 34.391998
95.084999 47.555
105.069 30.714001
107.084999 48.453999
119.084999 40.098999
147.115997 58.839001
173.494995 41.641998
201.162994 19.103001
203.179001 21.402
215.179001 15.431
231.138 6.95
339.268005 7.565
349.252014 18.298
367.263 43.261002
385.27301 566.29303
END IONS
BEGIN IONS
SCANS=1176
PEPMASS=713.27502
CHARGE=1
COLLISION_ENERGY=0.0
79.054001 23.186001
81.07 35.181999
95.084999 64.617996
113.042 40.873001
123.068001 65.763
167.033005 128.087006
173.498001 138.035995
193.048996 48.203999
194.080002 34.879002
206.080002 87.121002
218.080002 92.656998
252.067993 392.125
291.122009 52.598
314.138 17.806999
320.131012 837.992004
331.098999 52.987999
348.126007 336.166992
374.140991 18.016001
423.157013 287.188995
442.20401 51.307999
451.191986 2.36
538.856018 1.137
542.182983 2.84
545.22699 1.296
551.103027 1.198
585.130005 1.156
610.244019 148.600006
END IONS
BEGIN IONS
SCANS=1177
PEPMASS=713.33099
CHARGE=1
COLLISION_ENERGY=0.0
68.043999 13.872
74.221001 13.726
79.258003 75.885002
80.232002 13.908
104.696999 14.92
135.080002 19.990999
173.496994 858.146973
187.072006 30.643999
217.046005 167.481003
219.061996 88.888
221.078003 140.764999
275.807007 16.971001
285.109009 19.672001
286.615997 12.973
287.123993 13.206
289.140015 33.825001
346.953003 13.279
381.131012 21.447001
397.125 17.856001
399.140015 24.24
401.721008 11.341
465.187988 21.917
467.203003 194.845001
498.078003 15.254
501.088013 13.896
627.013977 16.587
643.789001 19.023001
END IONS
BEGIN IONS
SCANS=1178
PEPMASS=715.34601
CHARGE=1
COLLISION_ENERGY=0.0
68.935997 9.316
79.482002 97.767998
94.495003 7.387
104.781998 5.924
105.300003 6.217
135.080002 42.286999
173.498001 289.363007
181.085007 102.741997
187.072006 81.476997
203.067001 94.153999
217.046005 126.693001
219.061996 184.636002
285.109009 48.882999
287.125 71.378998
289.140015 17.656
301.104004 55.702
317.626007 6.123
381.130005 20.931999
383.145996 130.427002
397.126007 9.272
399.140015 38.554001
400.128998 40.209
401.156006 93.718002
465.184998 6.942
467.203003 61.311001
469.218994 210.505005
471.171997 7.142
495.575989 7.361
577.203979 27.117001
601.23999 8.705
608.817993 12.629
END IONS
BEGIN IONS
SCANS=1179
PEPMASS=717.362
CHARGE=1
COLLISION_ENERGY=0.0
68.194 12.662
74.792 11.608
79.707001 91.446999
89.581001 10.403
95.084999 29.658001
102.484001 13.989
148.729996 29.195999
173.496994 426.928009
177.416 10.706
203.067001 79.670998
219.061996 188.947006
287.123993 75.782997
305.557007 11.256
306.278015 193.565994
307.282013 203.725006
313.27301 46.775002
314.276001 16.356001
383.145996 148.763
399.140991 67.438004
401.156006 88.787003
448.204987 9.147
467.203003 16.131001
469.220001 64.252998
576.507996 14.246
579.218994 65.121002
604.138 14.133
631.284973 16.599001
644.281982 12.498
END IONS
BEGIN IONS
SCANS=1180
PEPMASS=719.33398
CHARGE=1
COLLISION_ENERGY=0.0
80.752998 13.902
89.809998 14.204
131.0 54.799
169.014999 58.277
170.994003 57.513
174.988998 61.978001
185.009995 59.896
189.005005 144.778
225.042007 52.452999
239.057999 25.575001
255.416 15.256
308.295013 39.284
309.298004 51.176998
315.136993 14.053
323.089996 14.103
335.152008 22.537001
337.166992 300.213989
END IONS
BEGIN IONS
SCANS=1181
PEPMASS=724.51501
CHARGE=0
COLLISION_ENERGY=0.0
90.147003 35.698002
99.555 15.999
114.281998 53.872002
119.083 503.127014
129.054001 30.110001
159.720001 27.615
173.496994 994.856018
188.979996 26.503
209.356003 27.027
232.597 26.323
260.411987 16.271
285.858002 28.975
310.337006 29.003
364.615997 26.046
378.86499 48.318001
404.372009 29.597
461.575012 23.663
607.674011 24.173
END IONS
BEGIN IONS
SCANS=1182
PEPMASS=726.53003
CHARGE=1
COLLISION_ENERGY=0.0
81.794998 18.82
89.577003 17.737
99.466003 16.879999
119.084999 414.686005
119.787003 17.52
173.496994 408.605011
277.411011 17.207001
384.868988 18.271
413.325989 34.077999
444.006989 18.039
542.893005 18.156
END IONS
BEGIN IONS
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PEPMASS=726.53101
CHARGE=1
COLLISION_ENERGY=0.0
71.707001 19.136
91.546997 20.396
109.065002 20.125
119.084999 51.922001
122.774002 20.105
128.798004 23.697001
173.498001 543.710999
222.233994 19.542
224.389999 23.209999
258.013 19.915001
413.325012 43.388
458.589996 21.434999
484.826996 21.872
547.400024 41.801998
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564.354004 21.281
635.148987 23.503
670.281982 22.544001
END IONS
BEGIN IONS
SCANS=1184
PEPMASS=731.341
CHARGE=1
COLLISION_ENERGY=0.0
77.275002 10.842
81.069 84.089996
81.260002 384.453003
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151.074997 101.559998
173.496994 1432.562988
181.085007 592.018982
203.067001 187.440002
217.046005 882.070007
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277.216003 82.414001
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289.140015 29.91
301.104004 296.424988
339.289001 236.895996
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465.187012 108.918999
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481.182007 196.992004
483.197998 207.380997
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593.197998 70.502998
611.88501 4.431
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617.234985 20.775999
633.312012 4.417
636.671021 3.756
END IONS
BEGIN IONS
SCANS=1185
PEPMASS=735.27698
CHARGE=1
COLLISION_ENERGY=0.0
81.043999 73.753998
81.695999 23.152
83.059998 18.239
95.084999 20.219
111.055 50.720001
155.044998 73.600998
167.033005 225.367004
173.498993 15.591
189.054001 15.788
193.048996 32.168999
195.028 105.602997
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427.148987 20.257999
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455.074005 9.888
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END IONS
BEGIN IONS
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PEPMASS=736.40698
CHARGE=1
COLLISION_ENERGY=0.0
69.069 42.515999
91.054001 10.673
93.07 10.126
121.064003 25.704
123.080002 27.791
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173.498001 36.143002
179.070007 478.734009
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489.115997 5.993
END IONS
BEGIN IONS
SCANS=1187
PEPMASS=737.29199
CHARGE=1
COLLISION_ENERGY=0.0
81.07 73.449997
81.939003 63.648998
83.059998 15.413
95.084999 23.865
111.055 212.427994
157.059998 268.769989
167.033005 613.789001
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195.028 242.863007
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303.044006 7.108
329.575012 6.465
446.164001 12.585
447.177002 217.042999
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547.250977 5.211
END IONS
BEGIN IONS
SCANS=1188
PEPMASS=738.422
CHARGE=1
COLLISION_ENERGY=0.0
69.07 29.306
91.054001 30.530001
95.084999 28.958
107.084999 10.973
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304.263 34.071999
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443.871002 3.617
474.378998 3.391
486.786987 2.699
489.638 2.5
540.231018 2.844
559.880981 4.409
582.179993 2.836
END IONS
BEGIN IONS
SCANS=1189
PEPMASS=738.508
CHARGE=1
COLLISION_ENERGY=0.0
69.069 28.134001
81.07 87.158997
93.07 45.573002
95.084999 90.051003
98.059998 35.834
148.731003 66.831001
173.496994 481.145996
179.070007 12.745
180.677994 11.817
233.664001 10.039
236.149002 147.647003
239.843994 5.601
243.123001 4.68
247.132004 6.461
250.246002 9.436
304.263 336.391998
306.278015 964.409973
313.273987 15.164
335.257996 237.643997
337.27301 171.863998
377.122009 6.102
426.234985 28.354
433.231995 86.817001
456.368011 8.594
474.377014 35.735001
520.260986 6.573
END IONS
BEGIN IONS
SCANS=1190
PEPMASS=741.40002
CHARGE=1
COLLISION_ENERGY=0.0
69.07 101.288002
91.054001 8.9
93.07 27.055
95.084999 31.976999
121.064003 65.834999
123.080002 57.598
151.074997 59.582001
165.089996 58.671001
173.5 28.594
177.089996 8.25
179.070007 1185.213013
233.153 85.684998
244.632996 2.413
247.132004 226.694
306.278015 2.868
311.127014 2.512
341.138 15.637
343.153992 2.42
381.265015 2.107
397.200989 2.469
407.746002 2.223
409.200989 13.966
END IONS
BEGIN IONS
SCANS=1191
PEPMASS=742.539
CHARGE=1
COLLISION_ENERGY=0.0
69.069 57.457001
81.069 48.844002
83.084999 41.902
95.084999 36.159
98.059998 64.664001
148.731995 123.041
173.5 374.14801
174.251999 7.894
175.938004 4.808
230.979004 7.448
262.924011 8.244
298.621002 8.048
306.278015 1090.083984
308.294006 608.169983
337.27301 126.366997
339.289001 329.541992
395.032013 7.908
438.306 5.71
493.776001 5.021
END IONS
BEGIN IONS
SCANS=1192
PEPMASS=747.32501
CHARGE=1
COLLISION_ENERGY=0.0
81.07 16.278999
83.036003 31.909
84.019997 12.066
95.059998 12.102
148.731003 49.064999
167.033005 113.851997
173.498993 73.447998
192.065002 25.113001
195.028 35.912998
206.080002 27.899
270.087006 16.538
284.10199 33.019001
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286.118011 137.764999
312.132996 19.492001
354.179993 109.412003
380.196014 12.5
385.174988 11.263
388.904999 9.853
412.388 12.541
499.679993 11.823
546.468018 9.695
547.588989 11.108
575.223022 24.339001
576.231018 51.245998
644.294983 106.904999
END IONS
BEGIN IONS
SCANS=1193
PEPMASS=754.41699
CHARGE=1
COLLISION_ENERGY=0.0
79.054001 15.145
109.064003 130.141998
121.064003 135.518005
135.080002 162.182999
151.074997 279.985992
173.496994 273.087006
181.085007 2459.610107
195.065002 803.468994
233.153 2.732
249.147995 10.536
263.127014 288.532013
301.143005 23.538
306.278992 90.016998
320.257996 36.403999
330.591003 1.979
336.730988 3.823
362.016998 1.944
392.04599 4.021
453.596008 2.978
499.863007 2.123
582.859985 3.442
END IONS
BEGIN IONS
SCANS=1194
PEPMASS=754.48999
CHARGE=1
COLLISION_ENERGY=0.0
70.065002 44.398998
88.074997 118.127998
106.085999 747.802979
148.733002 7.352
173.498001 16.99
179.070007 22.613001
247.132004 11.869
303.919006 2.926
306.278015 10.33
320.259003 6.607
321.255005 2.608
337.272003 3.091
342.360992 2.41
519.153015 2.874
END IONS
BEGIN IONS
SCANS=1195
PEPMASS=761.34003
CHARGE=1
COLLISION_ENERGY=0.0
84.592003 22.742001
87.593002 10.59
96.072998 12.194
106.648003 11.455
110.070999 16.02
167.033005 31.365999
173.498001 194.216995
179.070007 14.52
220.095993 374.980011
248.091003 15.126
288.158997 257.48999
288.928009 12.195
321.257996 11.333
400.187012 15.772
END IONS
BEGIN IONS
SCANS=1196
PEPMASS=763.31897
CHARGE=1
COLLISION_ENERGY=0.0
72.615997 14.588
77.834999 13.127
81.069 21.913
90.847 15.134
110.070999 85.655998
148.731995 74.833
167.033005 163.145996
173.5 86.617996
195.028 52.828999
206.080002 95.017998
232.059998 72.579002
259.924011 15.979
273.519012 13.064
278.661987 15.86
286.118011 18.452
341.122986 24.775
353.095001 15.502
387.128998 45.722
400.186005 29.697001
547.30603 13.226
635.247986 14.207
677.244019 98.077003
END IONS
BEGIN IONS
SCANS=1197
PEPMASS=766.36603
CHARGE=2
COLLISION_ENERGY=0.0
95.084999 7.038
98.974998 24.919001
116.985001 7.976
173.496002 162.518997
181.848007 9.984
195.065002 29.322001
207.031998 27.907
225.042999 44.291
233.210007 10.458
249.042999 17.58
267.053009 17.427999
305.122009 10.856
311.042999 27.351
339.153015 26.804001
364.178986 10.988
373.184998 28.099001
405.209991 18.660999
406.171997 11.596
423.221985 34.952999
443.101013 20.655001
470.213013 35.352001
483.242004 20.473
495.23999 28.065001
501.251007 25.120001
504.244995 193.600006
519.263 18.782
659.289001 18.062
675.148987 9.649
677.299988 12.304
696.945984 10.882
745.361023 48.805
842.827026 11.508
END IONS
BEGIN IONS
SCANS=1198
PEPMASS=777.33502
CHARGE=1
COLLISION_ENERGY=0.0
81.07 8.474
86.370003 60.007999
95.059998 4.633
101.651001 9.905
110.070999 77.829002
167.033005 123.324997
173.496994 187.052994
179.070007 42.16
206.080002 66.106003
218.080002 217.634995
236.089996 516.685974
246.074997 107.865997
264.085999 26.995001
286.118988 12.073
304.153992 322.403015
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314.138 47.905998
332.148987 10.022
385.173004 3.675
400.184998 31.176001
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446.191986 14.75
454.548004 3.114
477.833008 3.372
525.901978 3.401
539.61499 8.658
605.453003 3.096
691.257019 21.653
END IONS
BEGIN IONS
SCANS=1199
PEPMASS=781.39301
CHARGE=1
COLLISION_ENERGY=0.0
74.813004 21.577999
77.246002 22.49
86.820999 123.827003
146.391998 27.697001
148.731995 174.988007
173.496994 153.632996
217.046005 61.264999
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285.109009 42.490002
289.140015 57.855999
359.885986 23.591999
376.354004 30.707001
381.130005 44.348
426.248993 29.427
449.36499 24.240999
535.265991 107.863998
560.971985 27.854
END IONS
BEGIN IONS
SCANS=1200
PEPMASS=783.40802
CHARGE=1
COLLISION_ENERGY=0.0
76.594002 25.632
80.627998 32.116001
85.235001 33.639
85.859001 32.424
89.319 31.733
94.803001 33.712002
142.373993 31.250999
165.089996 134.904007
173.496994 1258.32605
235.981003 28.106001
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342.820007 29.886999
410.696014 31.297001
494.834015 28.441
509.160004 28.457001
531.138 26.274
580.554016 33.192001
END IONS
BEGIN IONS
SCANS=1201
PEPMASS=783.40802
CHARGE=1
COLLISION_ENERGY=0.0
77.379997 28.014999
87.044998 31.589001
105.902 25.240999
138.617996 31.221001
147.378006 27.301001
173.498001 496.712006
201.052002 47.558998
217.044998 37.758999
219.061996 77.887001
287.123993 46.268002
383.145996 46.261002
451.208008 34.046001
537.281982 70.141998
END IONS
BEGIN IONS
SCANS=1202
PEPMASS=787.35602
CHARGE=1
COLLISION_ENERGY=0.0
81.07 32.810001
87.484001 68.750999
94.052002 30.002001
95.059998 46.813999
167.033005 363.942993
173.496994 77.526001
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206.080994 37.562
256.106995 24.403999
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286.118011 298.459015
312.134003 45.358002
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385.177002 5.454
396.191986 4.774
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459.167999 1.251
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516.213013 4.998
546.223022 3.505
560.21698 21.511999
574.21698 63.207001
575.224976 181.873993
576.232971 114.641998
628.299988 25.434
636.278015 1.38
644.296021 597.544983
672.289978 105.593002
END IONS
BEGIN IONS
SCANS=1203
PEPMASS=789.37097
CHARGE=1
COLLISION_ENERGY=0.0
76.819 9.26
81.07 8.142
87.708 40.59
89.126999 3.734
95.059998 18.771999
167.033005 76.353996
173.496002 211.292999
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194.080002 97.871002
206.080002 69.610001
248.126999 590.499023
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316.190002 472.984985
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400.186005 4.521
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540.356018 11.676
569.825012 9.769
574.218018 10.421
575.224976 22.562
576.231995 30.577
610.695007 10.299
END IONS
BEGIN IONS
SCANS=1204
PEPMASS=791.35101
CHARGE=1
COLLISION_ENERGY=0.0
74.253998 10.861
80.957001 10.904
87.928001 28.934
95.059998 13.726
151.074997 28.77
165.054001 58.93
167.033005 59.146999
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232.095993 114.82
250.106003 231.445007
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274.143005 22.190001
318.169006 152.792999
346.164001 22.360001
408.970001 11.533
446.19101 25.900999
END IONS
BEGIN IONS
SCANS=1205
PEPMASS=794.448
CHARGE=1
COLLISION_ENERGY=0.0
83.013 7.18
109.064003 55.838001
121.064003 81.077003
135.080002 86.763
151.074997 124.311996
153.089996 93.842003
173.496994 114.712997
179.070007 90.831001
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233.153 25.402
247.132004 25.041
269.117004 2.661
299.128998 2.402
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315.158997 14.02
344.348999 4.103
369.207001 10.392
372.179993 2.164
411.21701 4.332
420.345001 5.26
477.117004 3.396
END IONS
BEGIN IONS
SCANS=1206
PEPMASS=795.46802
CHARGE=1
COLLISION_ENERGY=0.0
81.07 19.747
93.07 18.289
95.084999 19.722
107.084999 20.417999
135.080002 19.561001
151.074997 29.77
165.091003 57.073002
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215.106003 102.793999
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535.341003 52.018002
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565.35199 93.146004
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615.403992 17.964001
633.414001 17.919001
666.435974 0.415
679.382019 0.744
709.393005 3.702
727.401978 37.294998
END IONS
BEGIN IONS
SCANS=1207
PEPMASS=797.388
CHARGE=1
COLLISION_ENERGY=0.0
71.872002 24.209
72.071999 23.792999
74.834 17.049
75.531998 17.997999
88.612999 249.417007
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148.731003 239.876007
173.496994 2822.064941
179.070007 154.373001
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217.046005 799.307007
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289.140015 400.484985
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301.415985 9.514
305.13501 86.952003
377.071014 9.07
381.130005 240.570999
396.04599 9.053
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457.140991 44.384998
465.187012 56.806999
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535.267029 94.852997
551.26001 172.158005
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569.927002 6.023
627.202026 6.906
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643.249023 40.166
655.646973 12.24
687.223999 3.936
718.05603 6.379
728.315002 44.442001
END IONS
BEGIN IONS
SCANS=1208
PEPMASS=797.38898
CHARGE=0
COLLISION_ENERGY=0.0
76.824997 35.643002
88.598999 105.194
109.649002 38.613998
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130.806 85.014999
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250.957993 38.941002
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642.330017 41.289001
END IONS
BEGIN IONS
SCANS=1209
PEPMASS=799.40302
CHARGE=1
COLLISION_ENERGY=0.0
88.820999 360.993011
89.043999 25.551001
121.064003 116.305
151.074997 197.723999
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173.496002 525.619019
181.085007 1150.968994
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285.109009 458.347992
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287.125 51.926998
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395.109985 47.676998
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397.125 99.407997
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685.296021 81.934998
713.328979 25.481001
730.330994 50.249001
731.336975 6.728
END IONS
BEGIN IONS
SCANS=1210
PEPMASS=799.40399
CHARGE=1
COLLISION_ENERGY=0.0
100.183998 25.6
116.822998 26.382
135.080002 30.669001
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203.067001 48.117001
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221.076996 66.544998
285.109009 64.932999
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632.765991 27.132
END IONS
BEGIN IONS
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PEPMASS=803.34998
CHARGE=1
COLLISION_ENERGY=0.0
81.069 13.229
86.397003 8.891
87.260002 38.938999
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167.033005 102.466003
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508.466003 10.904
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717.275024 68.318001
END IONS
BEGIN IONS
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PEPMASS=803.38702
CHARGE=1
COLLISION_ENERGY=0.0
75.677002 3.724
81.07 5.812
89.264999 92.087997
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END IONS
BEGIN IONS
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PEPMASS=804.46899
CHARGE=1
COLLISION_ENERGY=0.0
82.574997 2.772
91.054001 4.721
95.084999 7.446
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233.153 106.800003
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336.362 2.844
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END IONS
BEGIN IONS
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PEPMASS=806.48401
CHARGE=1
COLLISION_ENERGY=0.0
93.220001 14.593
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101.339996 15.366
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END IONS
BEGIN IONS
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PEPMASS=810.44299
CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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COLLISION_ENERGY=0.0
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90.152 41.650002
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END IONS
BEGIN IONS
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CHARGE=0
COLLISION_ENERGY=0.0
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696.051025 17.181999
END IONS
BEGIN IONS
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PEPMASS=815.39801
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COLLISION_ENERGY=0.0
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121.064003 120.612
135.080002 185.960007
151.074997 384.20401
173.496994 3861.477051
181.085007 2708.475098
203.067001 479.903015
217.046005 1429.290039
221.076996 100.870003
233.041 391.596985
285.109009 886.692993
287.125 147.712997
289.140015 417.403015
301.104004 677.377991
303.118988 105.885002
305.13501 614.098022
381.130005 10.899
397.125 53.417999
408.019989 1.244
413.119995 45.519001
415.131989 83.709999
465.184998 128.072998
467.203003 7.845
481.182007 469.881012
483.197998 96.972
535.265991 93.328003
549.244995 341.325012
565.239014 164.261002
567.255005 63.956001
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593.197021 30.785
661.262024 44.386002
663.23999 28.122
685.294983 1.481
719.465027 0.868
729.322998 54.410999
731.302979 13.135
746.325989 1.376
747.700989 0.692
END IONS
BEGIN IONS
SCANS=1219
PEPMASS=817.414
CHARGE=1
COLLISION_ENERGY=0.0
73.044998 10.788
84.014999 9.618
88.499001 10.444
90.030998 7.273
90.823997 125.806
165.089996 89.403
173.496994 525.192993
181.085007 106.841003
203.067001 88.606003
217.046005 111.583
219.061996 30.544001
279.496002 10.615
285.109009 79.066002
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305.134003 15.131
307.5 12.686
361.753998 12.53
369.436005 12.774
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398.131989 16.864
481.182007 35.227001
483.196991 72.889999
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498.186005 57.299999
499.192993 161.621002
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551.257996 70.392998
567.255005 50.101002
569.270996 15.936
571.289001 9.599
594.017029 12.45
618.049988 15.728
674.14502 10.967
679.271973 21.780001
END IONS
BEGIN IONS
SCANS=1220
PEPMASS=818.362
CHARGE=1
COLLISION_ENERGY=0.0
81.069 11.001
89.251999 7.752
90.929001 27.636
94.052002 11.924
95.059998 15.72
167.033005 103.745003
173.496002 143.679001
192.065002 19.370001
194.080002 20.488001
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256.106995 9.554
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312.134003 23.202
354.179993 72.620003
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380.196991 10.274
574.21698 10.428
575.223999 44.342999
576.232971 43.771999
644.294983 128.281998
672.289978 13.952
690.297974 11.862
END IONS
BEGIN IONS
SCANS=1221
PEPMASS=819.34497
CHARGE=1
COLLISION_ENERGY=0.0
73.443001 6.627
89.068001 6.839
91.037003 18.049999
91.794998 7.706
95.059998 8.691
110.070999 29.212
167.033005 50.546001
173.498993 109.230003
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195.028 16.056999
232.095993 274.414001
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306.096008 10.49
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346.164001 74.924004
400.186005 17.875
446.191986 37.609001
453.673004 6.893
463.64801 6.927
512.460999 9.662
532.541992 7.232
END IONS
BEGIN IONS
SCANS=1222
PEPMASS=819.38098
CHARGE=1
COLLISION_ENERGY=0.0
81.07 14.939
86.096001 15.06
89.041 38.695
93.044998 11.089
110.070999 62.936001
167.033005 160.854004
173.5 138.610992
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195.028 43.450001
260.127014 136.669006
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284.10199 15.044
286.118011 87.504997
330.106995 10.837
397.187988 13.46
399.199005 10.42
400.186005 57.527
423.233002 10.551
443.191986 42.626999
576.232971 12.614
733.304993 54.676998
END IONS
BEGIN IONS
SCANS=1223
PEPMASS=820.46301
CHARGE=1
COLLISION_ENERGY=0.0
74.466003 11.972
85.046997 72.977997
91.054001 36.571999
95.084999 58.374001
121.059998 113.138
123.080002 137.757996
173.498001 699.880981
179.070007 2536.416016
181.085007 312.098999
217.121994 235.223007
233.154007 225.063004
247.132004 631.231995
249.147995 54.637001
263.127014 312.77301
281.131012 4.495
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325.326996 4.833
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409.395996 4.263
428.69101 4.35
434.610992 5.979
473.859009 6.333
479.894989 5.177
509.252991 68.498001
532.288025 4.554
549.046021 5.721
570.36499 4.802
580.458984 4.874
630.405029 5.006
END IONS
BEGIN IONS
SCANS=1224
PEPMASS=821.396
CHARGE=1
COLLISION_ENERGY=0.0
79.054001 12.639
85.028 16.242001
91.054001 42.18
107.084999 12.004
135.080002 155.703995
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165.089996 793.435974
173.494003 65.735001
179.070007 125.667999
181.085007 234.572998
231.136993 75.127998
233.153 84.672997
253.839996 7.738
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621.994995 0.215
638.140015 10.599
641.33197 2.16
649.004028 0.326
696.72998 11.032
703.036011 12.841
END IONS
BEGIN IONS
SCANS=1225
PEPMASS=821.46698
CHARGE=1
COLLISION_ENERGY=0.0
95.049004 11.835
121.064003 20.611
123.080002 20.357
173.498001 66.461998
179.070007 364.075989
180.072998 85.459999
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247.132004 170.425995
248.136002 93.93
249.147995 16.768
263.127991 10.59
359.60199 7.696
361.050995 8.172
444.645996 7.161
509.255005 24.0
END IONS
BEGIN IONS
SCANS=1226
PEPMASS=822.479
CHARGE=1
COLLISION_ENERGY=0.0
79.054001 24.302999
83.012001 34.193001
109.064003 179.891998
121.064003 244.423004
123.080002 174.473007
135.080002 250.673004
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153.089996 257.997009
181.085007 3981.673096
231.138 2.619
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247.132004 37.534
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426.476013 0.54
496.994995 0.966
540.273987 0.486
548.171021 0.497
555.296021 1.716
572.112 1.059
580.338013 0.139
673.062012 0.222
END IONS
BEGIN IONS
SCANS=1227
PEPMASS=825.383
CHARGE=1
COLLISION_ENERGY=0.0
85.917 17.667999
87.428001 14.002
91.709999 46.838001
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148.731003 132.246002
173.494995 237.947006
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219.061996 29.042
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493.182007 31.628
511.192993 22.555
535.265991 13.594
579.255981 427.738007
592.744019 28.844
END IONS
BEGIN IONS
SCANS=1228
PEPMASS=827.54199
CHARGE=1
COLLISION_ENERGY=0.0
77.346001 2.167
82.639 2.171
95.803001 2.331
106.316002 7.644
173.494995 38.014
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407.256989 2.826
425.265015 928.445007
443.276001 5.029
446.109009 2.366
466.290009 3.511
529.914978 2.801
END IONS
BEGIN IONS
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PEPMASS=831.39301
CHARGE=1
COLLISION_ENERGY=0.0
77.287003 11.305
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345.96701 17.48
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565.241028 130.399002
END IONS
BEGIN IONS
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PEPMASS=833.409
CHARGE=1
COLLISION_ENERGY=0.0
73.139 16.669001
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END IONS
BEGIN IONS
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PEPMASS=836.45801
CHARGE=1
COLLISION_ENERGY=0.0
85.064003 12.56
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95.084999 19.868999
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END IONS
BEGIN IONS
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PEPMASS=837.37
CHARGE=1
COLLISION_ENERGY=0.0
75.579002 16.139999
91.054001 68.751999
105.07 21.874001
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296.127991 332.981995
364.190002 236.604004
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END IONS
BEGIN IONS
SCANS=1233
PEPMASS=838.414
CHARGE=1
COLLISION_ENERGY=0.0
73.366997 33.098999
89.475998 31.749001
93.155998 37.460999
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328.152008 62.185001
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424.334015 41.019001
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END IONS
BEGIN IONS
SCANS=1234
PEPMASS=838.474
CHARGE=1
COLLISION_ENERGY=0.0
79.054001 40.939999
85.064003 163.496994
109.064003 261.0
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173.496994 636.666992
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181.085007 7230.76416
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699.458008 0.476
END IONS
BEGIN IONS
SCANS=1235
PEPMASS=840.48901
CHARGE=1
COLLISION_ENERGY=0.0
91.054001 16.603001
107.084999 17.729
121.064003 24.676001
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443.205994 27.782
END IONS
BEGIN IONS
SCANS=1236
PEPMASS=841.37799
CHARGE=1
COLLISION_ENERGY=0.0
79.100998 20.774
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109.064003 57.994999
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151.074997 85.918999
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END IONS
BEGIN IONS
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COLLISION_ENERGY=0.0
75.297997 30.052
77.555 33.729
85.202003 26.656
148.731003 255.781006
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456.360992 29.643999
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
116.362 2.884
148.731995 26.829
173.494003 17.393
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END IONS
BEGIN IONS
SCANS=1239
PEPMASS=844.37701
CHARGE=1
COLLISION_ENERGY=0.0
77.204002 5.597
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93.819 43.261002
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729.312012 42.007
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END IONS
BEGIN IONS
SCANS=1240
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CHARGE=1
COLLISION_ENERGY=0.0
81.07 1.279
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95.084999 4.601
108.777 4.45
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167.033005 2.636
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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COLLISION_ENERGY=0.0
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114.749001 20.806
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313.104004 358.855988
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END IONS
BEGIN IONS
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COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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289.140015 9.391
305.122009 2.152
365.119995 9.635
381.11499 2.901
382.122986 65.980003
383.130005 53.773998
433.122986 14.879
451.192993 729.685974
511.178986 2.491
718.426025 2.088
741.294006 10.35
END IONS
BEGIN IONS
SCANS=1248
PEPMASS=861.48999
CHARGE=1
COLLISION_ENERGY=0.0
77.092003 10.476
81.089996 7.73
109.064003 29.249001
121.064003 22.438999
123.080002 18.608999
151.074997 46.848999
153.089996 33.793999
173.498001 233.949005
181.085007 483.238007
216.789001 8.312
220.095993 43.396999
286.739014 8.482
288.158997 42.889
327.596008 10.588
END IONS
BEGIN IONS
SCANS=1249
PEPMASS=862.27899
CHARGE=1
COLLISION_ENERGY=0.0
74.619003 4.323
79.938004 4.758
91.054001 19.172001
96.544998 5.033
118.065002 33.422001
146.059006 63.924999
148.733002 15.095
173.494995 27.871
206.080002 96.013
207.033997 83.358002
218.080002 63.537998
233.091003 32.145
250.052002 235.975006
274.143005 23.917
314.138 74.311996
318.11499 23.857
341.062012 39.985001
363.134003 6.918
395.639008 4.823
459.191986 18.103001
539.909973 4.996
546.221008 4.868
573.14801 17.483999
647.145996 18.319
653.208984 8.971
663.192017 10.322
671.085022 5.618
681.205994 7.406
689.229004 18.820999
745.002991 4.77
748.674011 5.707
794.211975 10.419
817.252991 5.758
END IONS
BEGIN IONS
SCANS=1250
PEPMASS=863.19202
CHARGE=1
COLLISION_ENERGY=0.0
74.086998 4.467
89.976997 4.067
96.382004 4.315
99.417 4.525
110.777 4.144
121.448997 4.332
160.061996 4.757
168.589996 4.417
173.496002 61.195999
223.026993 8.556
233.011002 12.222
251.022003 10.452
267.067993 12.929
285.07901 44.700001
303.089996 69.133003
321.100006 107.731003
329.069 43.382999
347.079987 107.922997
365.089996 99.718002
383.101013 13.119
423.076996 5.516
425.093994 6.34
435.108002 5.483
451.072998 65.653999
469.083008 80.750999
488.203003 4.943
531.205994 6.158
619.182983 138.315994
637.19397 21.518999
657.132019 5.982
717.330994 5.15
END IONS
BEGIN IONS
SCANS=1251
PEPMASS=864.453
CHARGE=1
COLLISION_ENERGY=0.0
81.07 21.278
95.084999 12.513
97.100998 18.232
99.080002 22.459999
123.080002 23.344999
167.033005 146.427994
173.496994 47.319
179.070007 43.348999
181.085007 135.794006
195.042999 273.880005
247.132996 9.131
263.127014 24.805
272.243988 6.749
281.268005 7.405
291.122009 116.110001
303.618011 7.707
341.213989 7.486
485.179993 20.235001
497.21701 9.853
553.242004 37.488998
716.822998 8.434
END IONS
BEGIN IONS
SCANS=1252
PEPMASS=874.44397
CHARGE=1
COLLISION_ENERGY=0.0
83.012001 5.564
109.064003 25.011999
121.064003 32.529999
135.080002 40.716999
151.074997 56.820999
153.089996 39.243
179.070007 38.474998
181.085007 662.606018
231.136993 1.92
233.153 14.826
247.132004 17.601
249.147995 17.806
299.127991 2.78
301.143005 17.558001
313.143005 1.084
315.158997 6.042
343.153992 1.231
369.205994 6.306
383.221985 1.122
399.216003 1.598
411.216003 5.328
437.269012 1.889
447.830994 0.463
454.390015 0.37
479.278992 0.719
536.719971 0.388
END IONS
BEGIN IONS
SCANS=1253
PEPMASS=875.61603
CHARGE=1
COLLISION_ENERGY=0.0
78.496002 13.08
81.595001 15.491
81.985001 12.639
83.372002 12.183
89.417999 12.144
100.211998 13.421
173.494995 383.934998
239.139999 34.873001
364.264008 12.042
394.60199 14.101
396.105988 13.89
405.309998 18.239
419.701996 14.1
449.302002 382.928986
471.243011 16.898001
517.95697 14.483
631.887024 15.552
END IONS
BEGIN IONS
SCANS=1254
PEPMASS=876.38202
CHARGE=1
COLLISION_ENERGY=0.0
78.982002 11.16
81.07 8.534
95.059998 15.353
97.375 80.956001
110.070999 33.118
144.080002 100.708
167.033005 250.037994
173.496994 276.886993
192.065002 78.700996
195.028 78.196999
206.080002 36.151001
270.087006 31.332001
284.10199 77.761002
285.109985 82.928001
286.118011 242.104004
333.122986 37.043999
335.138 263.864014
354.181 194.789001
403.200989 285.942993
428.328003 7.362
428.901001 6.543
431.195007 14.085
459.039001 1.998
516.210999 1.936
545.215027 3.338
546.221985 2.776
560.200989 4.031
574.21698 35.171001
575.223999 104.113998
576.232971 126.259003
622.241028 2.874
644.294006 275.446991
672.291992 46.283001
END IONS
BEGIN IONS
SCANS=1255
PEPMASS=878.15698
CHARGE=1
COLLISION_ENERGY=0.0
77.595001 2.297
79.054001 5.656
81.069 24.59
95.084999 21.021999
99.080002 8.29
123.080002 9.869
147.927002 3.933
173.496994 35.844002
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235.975006 8.053
238.962006 8.39
262.998993 9.117
263.970001 8.876
264.977997 21.613001
295.941986 12.664
297.958008 12.116
321.958008 30.433001
345.040985 14.124
363.052002 13.504
378.020996 13.859
396.031006 13.57
420.031006 96.750999
438.032013 59.825001
466.036987 120.121002
484.046997 49.214001
500.024994 30.976999
521.091003 3.999
536.075012 21.514999
588.039978 7.5
634.14801 225.843002
652.158997 25.135
668.135986 67.100998
702.122009 7.53
END IONS
BEGIN IONS
SCANS=1256
PEPMASS=879.39801
CHARGE=1
COLLISION_ENERGY=0.0
74.547997 0.455
83.013 1.422
109.065002 4.72
121.065002 11.111
123.080002 5.178
135.080002 8.823
151.074997 13.217
153.091003 8.721
181.085999 96.488998
201.035995 8.609
202.059006 3.264
203.052994 176.593002
271.128998 7.289
289.140015 11.302
336.118011 1.01
365.119995 5.666
367.098999 1.874
382.122986 87.311996
383.131012 65.694
433.183014 2.77
451.192993 1464.707031
533.124023 0.287
760.320984 0.234
END IONS
BEGIN IONS
SCANS=1257
PEPMASS=882.5
CHARGE=1
COLLISION_ENERGY=0.0
80.403999 16.243
88.074997 142.886993
106.085999 562.349976
123.080002 54.618999
151.074997 140.688995
153.089996 115.745003
173.496994 163.085999
181.085999 1603.619995
237.143005 9.445
248.541 8.162
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262.037994 9.674
268.700012 9.968
286.322998 9.286
316.166992 7.63
389.070007 8.152
418.628998 7.922
461.876007 8.503
529.70697 2.544
616.580994 10.404
639.031006 8.727
657.234985 12.355
694.302002 11.517
END IONS
BEGIN IONS
SCANS=1258
PEPMASS=883.461
CHARGE=1
COLLISION_ENERGY=0.0
76.110001 29.98
77.703003 30.601
82.821999 26.447001
99.622002 32.779999
119.523003 35.992001
148.731995 209.289001
173.496002 204.347
187.072006 97.984001
203.067001 91.572998
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219.059998 36.533001
306.949005 31.247999
340.809998 29.58
384.153015 33.393002
385.161011 72.853996
END IONS
BEGIN IONS
SCANS=1259
PEPMASS=890.41699
CHARGE=0
COLLISION_ENERGY=0.0
157.056 25.511999
167.033005 27.559999
173.496002 213.154007
179.070007 34.048
206.080994 33.508999
218.080994 88.546997
236.091003 211.800995
246.076004 45.986
304.153992 157.367996
314.138 29.087
585.276978 133.427994
END IONS
BEGIN IONS
SCANS=1260
PEPMASS=902.45502
CHARGE=1
COLLISION_ENERGY=0.0
84.081001 9.547
93.667 7.136
100.273003 26.864
148.733994 44.189999
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330.205994 283.803986
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519.54303 12.592
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624.530029 8.905
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702.908997 8.267
713.362 10.494
END IONS
BEGIN IONS
SCANS=1261
PEPMASS=911.41803
CHARGE=1
COLLISION_ENERGY=0.0
77.513 11.285
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97.32 10.959
120.046997 11.799
148.733002 87.161003
173.494003 50.321999
203.065994 13.782
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297.315002 12.458
356.962006 11.677
398.132996 33.963001
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467.200989 599.586975
560.517029 11.455
END IONS
BEGIN IONS
SCANS=1262
PEPMASS=911.49103
CHARGE=1
COLLISION_ENERGY=0.0
88.719002 3.222
91.119003 2.908
95.386002 3.136
105.001999 3.228
151.074005 3.44
158.182007 3.069
173.496002 25.757999
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209.065002 4.853
217.046005 5.318
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251.074997 4.258
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371.03299 3.043
389.231995 8.297
398.132996 6.424
399.140015 7.051
467.248993 844.794006
531.025024 3.1
836.825989 3.135
END IONS
BEGIN IONS
SCANS=1263
PEPMASS=915.45099
CHARGE=1
COLLISION_ENERGY=0.0
77.320999 1.741
109.705002 1.321
117.303001 1.783
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173.498001 110.847
203.067001 110.410004
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453.605011 1.623
469.217987 1403.703003
526.833008 1.498
627.557007 2.034
748.476013 13.788
END IONS
BEGIN IONS
SCANS=1264
PEPMASS=919.30103
CHARGE=1
COLLISION_ENERGY=0.0
79.871002 7.247
85.134003 10.311
91.054001 21.257
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704.169983 20.073
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774.242981 11.067
END IONS
BEGIN IONS
SCANS=1265
PEPMASS=924.26501
CHARGE=1
COLLISION_ENERGY=0.0
79.054001 6.745
81.07 21.537001
95.083 11.244
99.733002 2.152
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143.710999 2.738
173.496002 75.233002
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438.002014 187.761002
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518.064026 7.056
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536.075012 120.321999
547.067017 6.479
572.148987 1.3
616.135986 2.915
633.156982 2.123
634.14801 955.018005
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796.976013 0.436
801.390015 0.427
END IONS
BEGIN IONS
SCANS=1266
PEPMASS=931.44501
CHARGE=1
COLLISION_ENERGY=0.0
88.454002 13.831
89.150002 11.966
102.135002 12.991
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290.136993 16.09
330.204987 250.884995
352.441986 15.105
627.974976 14.689
631.825989 14.473
END IONS
BEGIN IONS
SCANS=1267
PEPMASS=933.54498
CHARGE=1
COLLISION_ENERGY=0.0
79.657997 8.305
90.393997 8.436
92.066002 9.654
104.991997 61.074001
148.729996 58.957001
173.496994 55.339001
230.106995 8.219
339.912994 9.337
366.450989 8.833
384.976013 8.757
389.473999 8.481
407.255005 209.738998
429.235992 132.945007
489.259003 392.259003
546.367004 9.986
770.922974 9.678
END IONS
BEGIN IONS
SCANS=1268
PEPMASS=938.47699
CHARGE=1
COLLISION_ENERGY=0.0
82.037003 6.043
121.050003 2.953
140.341003 2.642
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225.007004 2.533
259.080994 23.396999
259.817993 2.403
260.088013 10.503
328.151001 885.765015
368.186005 2.969
450.618011 2.776
END IONS
BEGIN IONS
SCANS=1269
PEPMASS=947.41901
CHARGE=1
COLLISION_ENERGY=0.0
105.267998 32.841
110.070999 13.596
167.033005 36.354
173.498001 47.466
175.141998 10.061
179.070007 16.09
192.065002 10.885
220.095993 410.160004
248.091003 20.4
249.960999 8.906
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288.15799 298.028015
316.153992 12.158
362.548004 9.007
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441.174988 9.118
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728.497986 9.398
743.328003 8.572
831.911987 8.326
END IONS
BEGIN IONS
SCANS=1270
PEPMASS=954.39001
CHARGE=1
COLLISION_ENERGY=0.0
134.072006 2.85
173.496994 52.368
179.069 13.879
224.011993 23.052999
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476.112 71.163002
498.131989 3.737
516.143005 71.350998
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534.153992 16.719
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636.221008 14.845
END IONS
BEGIN IONS
SCANS=1271
PEPMASS=961.45599
CHARGE=1
COLLISION_ENERGY=0.0
84.314003 30.414
88.080002 18.909
91.889 26.382999
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148.733002 156.095993
173.496994 675.182007
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263.850006 20.815001
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331.765015 24.530001
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559.179016 20.174
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627.239014 16.695999
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711.294983 25.334999
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END IONS
BEGIN IONS
SCANS=1272
PEPMASS=978.29602
CHARGE=1
COLLISION_ENERGY=0.0
79.054001 5.11
80.171997 5.111
81.069 25.698
99.080002 27.736
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256.002014 21.773001
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336.065002 79.928001
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438.002014 95.822998
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553.077026 5.918
554.085022 291.786011
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END IONS
BEGIN IONS
SCANS=1273
PEPMASS=993.56897
CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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COLLISION_ENERGY=0.0
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88.514999 21.681999
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173.496994 272.648987
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299.722992 21.252001
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527.369995 462.708008
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END IONS
BEGIN IONS
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COLLISION_ENERGY=0.0
82.722 14.117
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235.641998 14.497
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716.588989 15.791
END IONS
BEGIN IONS
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COLLISION_ENERGY=0.0
91.054001 67.875999
93.07 19.222
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179.070007 1668.406006
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END IONS
BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
SCANS=1278
PEPMASS=1045.59802
CHARGE=0
COLLISION_ENERGY=0.0
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121.064003 25.804001
123.080002 13.424
165.089996 30.388
173.494995 143.587006
179.070007 225.667999
180.072998 114.952003
233.153 96.385002
234.156006 86.32
235.158997 24.146
247.132004 72.475998
248.136002 56.417999
249.138 15.163
324.562012 4.637
341.665985 4.206
357.421997 5.008
375.483002 5.473
533.252014 4.618
535.265991 12.259
548.315979 4.864
645.901001 4.567
END IONS
BEGIN IONS
SCANS=1279
PEPMASS=1047.54297
CHARGE=1
COLLISION_ENERGY=0.0
85.932999 10.441
86.742996 7.633
102.098 7.945
121.064003 10.267
133.815994 22.052999
173.057007 56.375999
173.498001 446.341003
202.059006 40.799
217.046005 131.613007
219.061996 173.029999
221.078003 116.522003
285.109009 101.199997
287.125 297.128998
289.140015 1028.245972
292.380005 4.756
330.166992 7.639
367.11499 11.582
382.138 24.299999
397.125 134.429001
398.132996 163.559006
399.140991 20.903999
421.161987 32.622002
465.187012 33.021999
466.195007 151.557999
467.203003 210.052002
477.631012 6.381
535.265015 2550.797119
538.517029 0.487
550.51001 6.404
566.685974 1.195
710.583008 1.089
732.872986 4.836
745.109009 0.181
END IONS
BEGIN IONS
SCANS=1280
PEPMASS=1051.57605
CHARGE=1
COLLISION_ENERGY=0.0
83.602997 3.098
90.085999 2.703
100.93 2.459
102.097 2.653
103.846001 2.535
135.207001 2.63
173.496994 95.217003
201.050995 62.16
203.067001 100.120003
219.061996 124.477997
221.076996 15.37
259.128998 15.504
270.122986 2.597
287.123993 64.814003
289.140015 45.991001
295.053009 2.424
361.492004 2.499
384.153992 4.394
399.140015 11.569
400.148987 18.921
401.157013 18.674
423.177002 9.842
468.210999 27.806999
469.218994 56.758999
496.76001 3.015
537.281006 1279.362061
586.809021 4.066
END IONS
BEGIN IONS
SCANS=1281
PEPMASS=1063.51697
CHARGE=1
COLLISION_ENERGY=0.0
87.657997 7.254
88.477997 12.51
114.501999 10.479
119.391998 13.102
127.776001 11.643
162.231995 12.984
166.429001 12.244
173.496994 891.156006
189.270996 4.873
252.688004 4.879
268.479004 4.191
269.169006 4.019
285.109985 3.893
392.174988 4.372
407.904999 4.276
510.151001 10.804
535.27002 5.287
541.189026 5.247
551.244019 1917.70105
566.750977 5.741
689.799011 5.882
780.059998 5.363
END IONS
BEGIN IONS
SCANS=1282
PEPMASS=1065.55396
CHARGE=1
COLLISION_ENERGY=0.0
97.382004 8.589
148.722 61.962002
173.494995 302.791992
201.052994 20.202
203.069 65.626999
217.048004 8.004
219.063995 89.411003
285.112 61.653999
287.127014 29.218
289.141998 38.719002
295.813995 9.438
372.950989 7.438
400.153015 9.09
469.222992 33.917999
483.200989 7.212
536.30603 7.256
537.286011 848.010986
538.289001 8.127
551.265015 318.923004
596.250977 7.21
598.098999 6.558
629.973999 9.819
633.963013 8.045
662.15802 7.164
819.377014 10.483
END IONS
BEGIN IONS
SCANS=1283
PEPMASS=1068.60303
CHARGE=1
COLLISION_ENERGY=0.0
87.405998 34.018002
108.730003 37.705002
135.080994 41.193001
148.731003 138.694
155.056 50.695
173.501007 210.074005
179.070007 76.195999
198.929993 41.300999
233.154007 40.054001
240.718994 40.724998
250.089005 37.465
309.345001 44.006001
313.919006 40.208
318.938995 37.318001
321.804993 44.869999
541.502014 44.575001
714.021973 40.902
END IONS
BEGIN IONS
SCANS=1284
PEPMASS=1070.61902
CHARGE=1
COLLISION_ENERGY=0.0
91.054001 21.097
93.07 27.073999
95.07 58.723
121.064003 95.700996
123.080002 68.894997
173.498001 155.731003
177.091003 14.296
179.070007 1434.719971
181.085007 45.821999
233.153 71.231003
247.132004 881.051025
292.190002 6.449
304.509003 2.449
322.774994 5.275
343.07901 5.016
343.907013 5.296
354.730011 4.479
408.502991 4.72
453.044006 5.409
598.971985 1.975
626.398987 5.505
666.97998 2.33
669.388977 2.127
684.729004 6.039
815.031006 2.325
882.986023 5.967
977.812012 5.167
END IONS
BEGIN IONS
SCANS=1285
PEPMASS=1077.55396
CHARGE=1
COLLISION_ENERGY=0.0
85.223 5.939
85.889 7.121
99.677002 5.647
121.065002 7.17
151.076004 8.881
173.496002 157.751999
181.087006 34.338001
203.069 17.903
217.048004 48.742001
219.063995 9.901
285.110992 27.302999
289.141998 11.856
315.121002 11.1
317.138 27.131001
535.263 47.625
552.098999 5.922
565.281006 559.455994
768.78302 6.211
END IONS
BEGIN IONS
SCANS=1286
PEPMASS=1079.53406
CHARGE=1
COLLISION_ENERGY=0.0
82.323997 16.250999
84.814003 4.587
85.124001 4.968
87.633003 4.93
89.654999 4.935
105.450996 8.156
148.733002 108.417
173.057999 5.271
173.496002 654.289978
217.048004 13.666
219.063995 36.373001
221.078995 24.708
285.110992 14.367
287.127014 46.73
289.143005 248.901001
301.106995 177.009003
303.122009 114.370003
305.138 68.404999
365.330994 4.107
397.127991 31.990999
398.13501 21.947001
401.675995 6.587
417.480988 6.355
465.188995 4.742
466.200012 34.966999
467.187012 19.343
482.194 46.574001
483.201996 8.768
537.416016 3.202
551.265015 3135.246094
580.052979 1.436
617.984009 1.288
629.156006 4.962
644.835999 1.711
698.616028 1.346
704.721008 1.684
857.049988 5.544
905.872986 4.306
END IONS
BEGIN IONS
SCANS=1287
PEPMASS=1079.75098
CHARGE=1
COLLISION_ENERGY=0.0
85.913002 10.245
89.081001 11.085
93.884003 11.835
98.121002 12.317
148.729996 67.82
173.498001 60.542
181.087006 35.299999
261.279999 10.987
301.695007 10.183
302.665009 11.3
527.375 14.385
551.375 721.30603
623.739014 11.855
684.10199 10.839
END IONS
BEGIN IONS
SCANS=1288
PEPMASS=1086.55298
CHARGE=1
COLLISION_ENERGY=0.0
87.852997 3.647
132.876999 4.297
148.729004 21.712
173.498993 21.18
179.070999 13.95
242.080002 6.303
247.134003 7.005
258.075012 26.297001
259.083008 29.812
260.091003 12.991
326.139008 13.788
327.756989 3.811
328.153992 109.125999
421.148987 4.867
436.140015 28.434999
437.14801 29.181
440.026001 3.148
460.177002 5.403
504.203003 7.163
505.210999 13.881
506.218994 18.379
535.27002 16.103001
574.278015 591.677979
726.351013 4.044
790.71698 3.798
END IONS
BEGIN IONS
SCANS=1289
PEPMASS=1105.51294
CHARGE=1
COLLISION_ENERGY=0.0
96.764 3.757
97.802002 3.701
173.496994 107.769997
204.076004 7.7
221.078995 7.986
227.733994 3.836
289.143005 58.159
303.122009 10.852
313.105988 44.819
319.117004 68.891998
321.132996 19.146999
409.936005 3.695
411.143005 5.996
500.204987 12.928
501.213013 17.187
559.234009 30.923
568.260986 3.845
569.27301 581.283997
643.973022 3.664
672.182007 3.859
END IONS
BEGIN IONS
SCANS=1290
PEPMASS=1115.55603
CHARGE=1
COLLISION_ENERGY=0.0
92.544998 2.223
98.365997 2.187
122.211998 2.614
173.498001 64.252998
181.085007 7.276
203.067993 6.717
204.074997 11.344
221.078003 13.797
235.233994 2.513
289.140015 65.607002
303.118988 23.155001
319.11499 102.137001
321.130005 19.475
323.145996 3.469
345.274994 2.634
411.140015 7.369
443.123993 2.211
483.200012 3.451
500.200989 14.724
501.209015 19.968
569.270996 617.190979
579.254028 3.404
884.409973 2.281
END IONS
BEGIN IONS
SCANS=1291
PEPMASS=1309.77197
CHARGE=1
COLLISION_ENERGY=0.0
98.226997 17.358999
108.420998 16.766001
144.550003 21.452
148.921005 19.285
151.345001 18.948999
173.492996 146.796997
190.761993 21.996
222.716995 25.216999
223.164993 23.353001
315.842987 29.093
345.093994 22.962999
504.963989 23.750999
509.915985 26.481001
775.825012 27.530001
781.390991 532.098999
843.744995 26.91
END IONS
BEGIN IONS
SCANS=1292
PEPMASS=1377.82898
CHARGE=1
COLLISION_ENERGY=0.0
104.991997 19.622
109.306 4.116
131.095993 4.561
171.470993 5.465
173.496002 96.342003
185.494995 5.126
186.891998 5.838
287.518005 5.238
343.13501 6.088
407.256012 172.225006
429.23999 108.553001
463.746002 5.729
480.397003 6.059
489.259003 496.424011
653.778992 6.585
848.744019 5.924
933.534973 46.105
END IONS
BEGIN IONS
SCANS=1293
PEPMASS=1575.81494
CHARGE=1
COLLISION_ENERGY=0.0
96.043999 8.246
112.210999 8.128
112.588997 9.674
116.674004 9.931
173.494995 519.184998
217.046005 24.014
283.286011 13.776
285.109009 28.792
295.937012 13.302
314.903992 14.02
345.281006 13.868
499.34201 20.877001
661.263 14.382
705.458984 15.942
799.401978 285.863007
END IONS
nf_output/network/ 0000755 0000000 0000000 00000000000 14616267342 013303 5 ustar root root nf_output/network/network.graphml 0000644 0000000 0000000 00000365316 14616267342 016366 0 ustar root root
421.184
4.92
4.92
0
367
479.28
4.59
4.59
0
21
275.091
5.07
5.07
0
69
570.307
9.12
9.12
0
21
397.202
3.65
3.65
0
154
297.133
3.05
3.05
0
3
249.148
3.4
3.4
0
3
289.141
3.25
3.25
0
26
838.474
9.09
9.09
0
3
391.285
11.1
11.1
0
264
Spectral Match to Dioctyl phthalate from NIST14
CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC
InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3
Benzenoids
Benzene and substituted derivatives
Benzoic acids and derivatives
Phenolic acids (C6-C1)
Shikimic acids and derivatives|Simple phenolic acids
Shikimates and Phenylpropanoids
623.305
2.94
2.94
0
21
365.158
3.67
3.67
0
3
519.272
10.41
10.41
0
3
411.217
4.59
4.59
0
21
328.212
3.66
3.66
0
173
446.239
4.58
4.58
0
3
320.15
6.48
6.48
0
164
277.107
5.05
5.05
0
101
289.107
3.57
3.57
0
144
306.106
3.07
3.07
0
144
323.147
2.94
2.94
0
320
822.479
10.39
10.39
0
3
282.142
2.97
2.97
0
3
529.28
2.96
2.96
0
177
551.371
11.42
11.42
0
3
224.128
4.26
4.26
0
3
233.154
3.7
3.7
0
3
588.354
9.44
9.44
0
3
281.267
5.68
5.68
0
3
455.207
6.78
6.78
0
208
235.144
3.35
3.35
0
207
283.049
1.97
1.97
0
10
276.16
5.18
5.18
0
77
417.166
6.01
6.01
0
74
854.469
9.08
9.08
0
3
334.165
5.88
5.88
0
18
694.469
9.49
9.49
0
21
448.141
5.12
5.12
0
164
754.417
8.85
8.85
0
3
271.096
3.06
3.06
0
85
623.304
3.0
3.0
0
320
586.411
10.67
10.67
0
21
486.359
9.76
9.76
0
68
540.224
8.0
8.0
0
3
820.463
10.34
10.34
0
21
263.128
3.64
3.64
0
288
385.163
5.04
5.04
0
197
295.118
5.06
5.06
0
101
195.029
3.45
3.45
0
178
810.443
9.93
9.93
0
3
205.122
5.06
5.06
0
84
267.159
2.86
2.86
0
3
274.144
5.87
5.87
0
233
831.393
9.08
9.08
0
23
469.22
6.25
6.25
0
13
363.142
4.57
4.57
0
3
447.25
6.89
6.89
0
18
395.331
9.34
9.34
0
68
Ergosterol
C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C
InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1
Lipids and lipid-like molecules
Steroids and steroid derivatives
Ergostane steroids
Steroids
Ergostane steroids
Terpenoids
352.176
2.7
2.7
0
30
379.337
8.8
8.8
0
68
Massbank:FFF00174 Ergosterol
C(C(C=CC(C)C(C4)C(C3C4)(C)CCC(C=13)C(C2)(C(CC(C2)O)=CC1)C)C)(C)C
1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19?,20?,22-,24?,25?,26?,27?,28?/m0/s1
Lipids and lipid-like molecules
Steroids and steroid derivatives
Ergostane steroids
Steroids
Ergostane steroids
Terpenoids
395.222
9.44
9.44
0
3
543.26
3.86
3.86
0
1
334.165
6.17
6.17
0
18
288.095
3.07
3.07
0
144
322.165
5.2
5.2
0
164
335.22
5.1
5.1
0
320
426.192
6.11
6.11
0
36
165.091
3.69
3.69
0
84
553.473
8.42
8.42
0
269
1323.57
4.6
4.6
0
123
247.133
3.91
3.91
0
345
301.144
1.95
1.95
0
181
235.133
4.02
4.02
0
64
331.116
3.44
3.44
0
333
515.265
3.86
3.86
0
1
840.489
9.5
9.5
0
3
311.113
3.95
3.95
0
101
265.143
4.51
4.51
0
3
592.349
6.94
6.94
0
21
281.138
3.86
3.86
0
3
595.252
5.97
5.97
0
75
312.144
5.08
5.08
0
101
436.246
7.74
7.74
0
29
325.217
6.96
6.96
0
156
299.126
4.52
4.52
0
46
292.191
4.25
4.25
0
3
291.123
4.54
4.54
0
150
736.407
9.99
9.99
0
21
331.152
6.34
6.34
0
3
504.369
8.95
8.95
0
68
556.328
10.19
10.19
0
3
874.444
4.59
4.59
0
3
569.381
10.96
10.96
0
44
426.159
5.05
5.05
0
164
320.15
5.82
5.82
0
18
309.17
5.09
5.09
0
192
417.189
6.08
6.08
0
74
585.377
9.13
9.13
0
3
243.211
7.52
7.52
0
346
417.202
5.71
5.71
0
18
565.301
2.96
2.96
0
173
558.343
9.28
9.28
0
21
310.202
4.26
4.26
0
3
319.116
3.82
3.82
0
233
323.149
4.58
4.58
0
3
357.316
9.07
9.07
0
46
249.148
4.58
4.58
0
3
325.129
4.65
4.65
0
3
363.178
6.61
6.61
0
44
492.296
6.44
6.44
0
3
583.361
8.7
8.7
0
3
315.159
1.95
1.95
0
181
295.227
5.05
5.05
0
101
267.086
5.67
5.67
0
3
317.139
3.75
3.75
0
85
283.154
2.93
2.93
0
3
836.458
10.22
10.22
0
21
544.364
9.72
9.72
0
3
895.367
4.6
4.6
0
123
454.294
7.47
7.47
0
475
Spectral Match to 1-Palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine from NIST14
nan
nan
nan
nan
nan
nan
nan
nan
336.181
4.33
4.33
0
3
409.311
9.03
9.03
0
68
281.138
2.95
2.95
0
3
415.212
3.88
3.88
0
1
167.034
3.45
3.45
0
178
223.096
3.36
3.36
0
407
511.379
11.5
11.5
0
280
319.116
4.06
4.06
0
142
794.448
10.52
10.52
0
3
741.4
9.3
9.3
0
21
193.05
4.76
4.76
0
178
410.197
7.2
7.2
0
36
295.227
4.49
4.49
0
46
Luvangetin
COc1c2c(cc3ccc(=O)oc13)C=CC(C)(C)O2
InChI=1S/C15H14O4/c1-15(2)7-6-10-8-9-4-5-11(16)18-12(9)14(17-3)13(10)19-15/h4-8H,1-3H3
Phenylpropanoids and polyketides
Coumarins and derivatives
Pyranocoumarins
Coumarins
Pyranocoumarins|Simple coumarins
Shikimates and Phenylpropanoids
399.217
6.62
6.62
0
154
560.359
8.49
8.49
0
3
485.215
4.83
4.83
0
13
246.222
7.25
7.25
0
182
415.212
6.48
6.48
0
106
"1-({[2-(2-furylmethyl)-5-methylpyrrolidinyl]amino}methylene)-7-[8-({[2-(2-fury lmethyl)pyrrolidinyl]amino}methylene)-1,6-dihydroxy-3-methyl-5-(methylethyl)-7 -oxo(2-naphthyl)]-3,8-dihydroxy-6-methyl-4-(methylethyl)naphthalen-2-one CollisionEnergy:102040"
Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)C(=CNN1C(C)CCC1Cc1ccco1)C(=O)C(O)=C3C(C)C)C(=CNN1CCCC1Cc1ccco1)C(=O)C(O)=C2C(C)C
"InChI=1S/C49H56N4O8/c1-25(2)38-34-19-27(5)40(46(56)42(34)36(44(54)48(38)58)23-50-52-16-8-11-30(52)21-32-12-9-17-60-32)41-28(6)20-35-39(26(3)4)49(59)45(55)37(43(35)47(41)57)24-51-53-29(7)14-15-31(53)22-33-13-10-18-61-33/h9-10,12-13,17-20,23-26,29-31,50-51,56-59H,8,11,14-16,21-22H2,1-7H3/b36-23-,37-24-"
nan
nan
nan
nan
nan
nan
411.309
6.45
6.45
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21
451.104
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29
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18
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861.49
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3
821.467
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882.5
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293.139
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540.369
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261.112
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325.165
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279.251
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304.3
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317.115
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539.228
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331.189
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377.196
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292.191
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-1
297.133
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-1
416.171
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842.577
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497.29
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485.194
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574.411
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429.373
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268.118
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-1
479.207
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289.141
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-1
837.411
5.38
5.38
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-1
271.169
4.21
4.21
0
-1
321.243
10.25
10.25
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-1
293.102
7.48
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-1
351.215
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-1
308.122
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3.5
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-1
164.19299999999993
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1069
652
N/A
91.02700000000004
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N/A
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0.8138
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N/A
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1123
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N/A
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0.8457
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630
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N/A
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0.7954
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631
814
N/A
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0.7125
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140
814
N/A
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1169
814
N/A
262.12
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0.8511
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1190
814
N/A
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N/A
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N/A
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N/A
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0.8016
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814
995
N/A
39.958
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91
179
N/A
124.16200000000003
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1169
N/A
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1225
N/A
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0.8967
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1039
995
N/A
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0.8924
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1070
N/A
171.09299999999996
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0
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1190
N/A
166.10000000000002
166
0.8084
0
1039
1186
N/A
2.0149999999999864
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0.8274
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598
600
N/A
82.005
82
0.7129
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598
813
N/A
132.04199999999997
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0.6267450484434236
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3
261
N/A
0.6267450484434236
281.213
281
0.6382328958685971
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1051
261
N/A
0.6382328958685971
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0.5112432170504736
0
549
261
N/A
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554
261
N/A
0.5553684379528915
94.15200000000004
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0.6685288289923379
0
579
261
N/A
0.6685288289923379
61.99999999999997
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0.5767125728766682
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261
N/A
0.5767125728766682
47.984999999999985
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0.8124
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116
261
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119.03800000000001
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0.5100145384244251
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641
261
N/A
0.5100145384244251
120.03300000000002
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0.5387523871143155
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645
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30.04699999999997
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0.8114
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158
261
N/A
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0.8007056006168295
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160
261
N/A
25.964
25
0.5903641341671967
0
167
261
N/A
0.5903641341671967
497.315
497
0.8057
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1205
261
N/A
525.346
525
0.8137
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1226
261
N/A
15.995000000000005
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0.8915
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204
261
N/A
13.978999999999985
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0.7951
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210
261
N/A
545.444
545
0.5288010440098766
0
1237
261
N/A
0.5288010440098766
564.357
564
0.7738
0
1248
261
N/A
577.3109999999999
577
0.7787
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1252
261
N/A
7.991999999999962
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0.5963234632288399
0
228
261
N/A
0.5963234632288399
153.971
153
0.6399422063327304
0
740
261
N/A
0.6399422063327304
6.009999999999991
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0.6231046623005991
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234
261
N/A
0.6231046623005991
158.074
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0.5553265252241201
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753
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N/A
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0.8148
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261
991
N/A
26.01400000000001
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0.7493710436075804
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261
381
N/A
0.7493710436075804
37.03200000000004
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0.7019513519964315
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261
428
N/A
0.7019513519964315
34.05600000000004
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0.6868162035239954
0
261
417
N/A
0.6868162035239954
55.043000000000006
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0.5953575070529518
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261
501
N/A
0.5953575070529518
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28.084000000000003
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0.5024285052702719
0
261
392
N/A
0.5024285052702719
15.994
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0.846
0
87
115
N/A
18.010999999999996
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0.8326
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115
160
N/A
45.93000000000001
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0.6525
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102
229
N/A
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0.6462
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229
266
N/A
29.974999999999966
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0.569
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229
355
N/A
255.11300000000006
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1063
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N/A
84.05700000000002
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0.7942
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1193
1234
N/A
44.02600000000007
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0.8946
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1205
1234
N/A
28.031000000000063
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0.8757
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1215
1234
N/A
15.995000000000005
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0.8603
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1226
1234
N/A
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0.9676
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1234
1244
N/A
35.969999999999914
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0.9052
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1234
1252
N/A
278.115
278
0.8395
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1234
1001
N/A
282.1460000000001
282
0.8094
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1234
991
N/A
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0.8083
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1234
1248
N/A
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1234
413
N/A
287.10300000000007
287
0.7759
0
1234
971
N/A
2.0160000000000196
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0.8028
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522
527
N/A
220.21899999999994
220
0.8044
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527
1069
N/A
124.05000000000007
124
0.8187
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595
898
N/A
164.08399999999997
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0.6969
0
110
630
N/A
0.09200000000004138
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0.8547
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630
631
N/A
130.079
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N/A
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630
1190
N/A
223.159
223
0.7058
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401
971
N/A
142.11500000000007
142
0.8269
0
1075
726
N/A
348.209
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1205
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N/A
376.24000000000007
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0.8443
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1226
726
N/A
163.08499999999998
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0.8002
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210
726
N/A
394.25000000000006
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0.7617
0
1235
726
N/A
110.089
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0.8442
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N/A
428.205
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0.8217
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726
1252
N/A
114.12000000000006
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0.8184
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293
362
N/A
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N/A
84.05700000000002
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30
188
N/A
18.119999999999948
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0.7998
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188
257
N/A
83.98500000000001
83
0.6992
0
40
222
N/A
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0.7503
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220
292
N/A
300.157
300
0.7998
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1122
381
N/A
2.0160000000000196
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0.7226
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371
381
N/A
12.073000000000036
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0.8259
0
381
437
N/A
234.125
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0.8205
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1075
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N/A
555.393
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0.8206
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158
1226
N/A
68.06200000000001
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0.7825
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1193
1226
N/A
28.031000000000063
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0.9123
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1205
1226
N/A
266.15100000000007
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0.9567
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1226
991
N/A
51.96499999999992
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0.9494
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1226
1252
N/A
539.325
539
0.9073
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1226
210
N/A
262.12
262
0.9299
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1226
1001
N/A
491.32700000000006
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1226
413
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31.99000000000001
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0.7856
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1226
1244
N/A
39.01099999999997
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0.7767
0
1226
1248
N/A
1.004000000000019
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0.7861
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202
207
N/A
0.875
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0.8093
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206
207
N/A
246.12599999999998
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0.5176
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210
915
N/A
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0.7736
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1038
971
N/A
34.00599999999997
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0.7999
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1069
971
N/A
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1205
971
N/A
303.09800000000007
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1244
971
N/A
310.119
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0.8865
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1248
971
N/A
220.219
220
0.7993
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413
971
N/A
11.001999999999953
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0.6909
0
945
971
N/A
13.930000000000064
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0.7163
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971
1020
N/A
171.094
171
0.8602
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595
N/A
9.02600000000001
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0.8222
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72
87
N/A
316.09600000000006
316
0.8132
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944
N/A
43.031000000000006
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160
N/A
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595
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N/A
71.14600000000002
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286
N/A
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102
N/A
34.004999999999995
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0.8071
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160
N/A
15.994
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116
N/A
91.97500000000002
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0.7868
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388
N/A
32.02600000000007
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0.8294
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1075
991
N/A
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1252
N/A
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0.7823
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1075
1001
N/A
305.20000000000005
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1075
210
N/A
206.09399999999994
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0.7746
0
1075
1205
N/A
0.1290000000000191
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0.9534
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202
206
N/A
1.8870000000000005
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0.8128
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206
210
N/A
57.995000000000005
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0.6942
0
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249
N/A
17.906000000000006
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0.6221
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155
209
N/A
27.01200000000003
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0.6217
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116
183
N/A
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0.9293
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645
646
N/A
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0.6008
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645
832
N/A
100.05200000000002
100
0.7767
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1193
1244
N/A
60.02100000000007
60
0.8372
0
1205
1244
N/A
44.02600000000007
44
0.807
0
1215
1244
N/A
19.97499999999991
19
0.8254
0
1244
1252
N/A
7.020999999999958
7
0.8089
0
1244
1248
N/A
523.317
523
0.7752
0
1244
413
N/A
83.03699999999998
83
0.8379
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648
429
N/A
60.021000000000015
60
0.596
0
175
429
N/A
14.015000000000043
14
0.7873
0
364
429
N/A
13.980000000000018
13
0.898
0
365
429
N/A
108.0580000000001
108
0.9607
0
1070
1169
N/A
136.1260000000001
136
0.9423
0
1169
995
N/A
46.930999999999926
46
0.921
0
1169
1190
N/A
41.93799999999999
41
0.8548
0
1169
1186
N/A
126.99799999999993
126
0.825
0
1169
1225
N/A
125.99399999999991
125
0.8143
0
1169
1223
N/A
21.982000000000028
21
0.8761
0
667
731
N/A
180.00600000000009
180
0.781
0
1045
1193
N/A
120.02699999999993
120
0.7979
0
1193
1252
N/A
40.03099999999995
40
0.7888
0
1193
1205
N/A
423.26500000000004
423
0.7866
0
1193
413
N/A
46.043000000000006
46
0.7286
0
165
346
N/A
28.029999999999973
28
0.6296
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165
266
N/A
28.067999999999984
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0.9303
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1070
995
N/A
154.98900000000003
154
0.8958
0
1070
1190
N/A
149.9960000000001
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0.8354
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1070
1186
N/A
234.05200000000002
234
0.8068
0
1070
1223
N/A
235.05600000000004
235
0.7748
0
1070
1225
N/A
18.010000000000048
18
0.8916
0
832
868
N/A
145.00200000000007
145
0.8644
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595
944
N/A
16.103999999999928
16
0.814
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944
991
N/A
4.139999999999986
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0.8581
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944
956
N/A
84.05599999999993
84
0.8137
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1186
1223
N/A
79.06299999999999
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0.7916
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1190
1223
N/A
15.995000000000005
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0.8494
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1223
1231
N/A
262.12
262
0.8377
0
1223
995
N/A
1.004000000000019
1
0.808
0
1223
1225
N/A
2.0149999999999864
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0.7792
0
147
155
N/A
18.00999999999999
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0.7619
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147
202
N/A
0.10900000000003729
0
0.7377
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147
152
N/A
10.058999999999969
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0.7224
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567
595
N/A
34.15299999999996
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0.6705
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567
651
N/A
84.019
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567
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N/A
0.10899999999998045
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0.7882
0
255
257
N/A
27.995000000000005
27
0.9134
0
4
34
N/A
1.978999999999985
1
0.9945
0
30
34
N/A
40.031000000000006
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0.7724
0
3
40
N/A
210.08999999999997
210
0.5221
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40
639
N/A
2.0160000000000196
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0.8005
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156
160
N/A
57.97000000000003
57
0.7881
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160
388
N/A
29.97399999999999
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0.7513
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160
260
N/A
25.980000000000018
25
0.722
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160
249
N/A
30.09699999999998
30
0.697
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1229
1248
N/A
15.994999999999948
15
0.8708
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785
831
N/A
53.97199999999998
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0.5959
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522
311
N/A
113.08499999999998
113
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729
428
N/A
15.994000000000028
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0.7474
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554
596
N/A
13.979999999999961
13
0.7469
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596
621
N/A
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N/A
103.031
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595
240
N/A
34.15100000000001
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0.6543
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595
680
N/A
27.995000000000005
27
0.8762
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888
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N/A
27.995000000000005
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0.9342
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293
428
N/A
14.015000000000043
14
0.8571
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364
428
N/A
18.07499999999999
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0.6771
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220
293
N/A
103.99399999999997
103
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667
377
N/A
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624
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N/A
41.97399999999999
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0.607
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3
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N/A
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1051
981
N/A
428.203
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0.7024
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1152
732
N/A
767.242
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0.6158
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1152
991
N/A
14.014999999999986
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0.8366
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274
334
N/A
81.96799999999999
81
0.6444
0
116
409
N/A
100.053
100
0.7228
0
640
888
N/A
18.011000000000024
18
0.7222
0
247
318
N/A
15.886000000000024
15
0.7779
0
257
318
N/A
18.920999999999964
18
0.5219
0
107
156
N/A
34.006000000000085
34
0.8652
0
1080
995
N/A
107.15500000000003
107
0.6299
0
1080
830
N/A
134.074
134
0.7175
0
640
204
N/A
42.011000000000024
42
0.8072
0
204
383
N/A
14.088999999999999
14
0.7432
0
204
257
N/A
2.0160000000000196
2
0.8042
0
204
210
N/A
199.19600000000003
199
0.6968
0
1085
1205
N/A
16.91700000000003
16
0.8457
0
257
322
N/A
14.858000000000004
14
0.8275
0
698
740
N/A
3.899000000000001
3
0.6825
0
256
266
N/A
58.19
58
0.6413
0
266
510
N/A
18.011000000000024
18
0.8862
0
240
313
N/A
43.99000000000001
43
0.8544
0
240
441
N/A
4.992999999999938
4
0.9129
0
1186
1190
N/A
178.06400000000008
178
0.887
0
1186
995
N/A
82.00399999999999
82
0.825
0
116
413
N/A
463.296
463
0.8078
0
1205
413
N/A
47.99799999999999
47
0.8003
0
210
413
N/A
14.036999999999978
14
0.7712
0
342
413
N/A
225.176
225
0.7905
0
413
991
N/A
281.08299999999997
281
0.7182
0
650
991
N/A
289.24199999999996
289
0.8041
0
158
991
N/A
238.12
238
0.8752
0
1205
991
N/A
273.174
273
0.8994
0
210
991
N/A
318.116
318
0.8985
0
1252
991
N/A
326.172
326
0.7467
0
1257
991
N/A
4.031000000000063
4
0.8963
0
991
1001
N/A
79.99599999999998
79
0.9487
0
1205
1252
N/A
591.29
591
0.843
0
210
1252
N/A
314.0849999999999
314
0.9653
0
1252
1001
N/A
382.14799999999997
382
0.7895
0
1252
845
N/A
206.20299999999997
206
0.7958
0
523
1038
N/A
90.04700000000003
90
0.714
0
624
364
N/A
27.959000000000003
27
0.7771
0
241
364
N/A
0.03500000000002501
0
0.8384
0
364
365
N/A
2.0159999999999627
2
0.8059
0
1063
1069
N/A
502.09900000000005
502
0.6952
0
648
1264
N/A
97.017
97
0.8186
0
648
365
N/A
183.05700000000002
183
0.9326
0
1190
995
N/A
2.0149999999999864
2
0.6405
0
354
371
N/A
2.0160000000000196
2
0.742
0
383
390
N/A
17.938000000000017
17
0.7924
0
116
158
N/A
302.152
302
0.835
0
1205
845
N/A
68.06300000000005
68
0.8521
0
845
1001
N/A
211.087
211
0.794
0
1063
1205
N/A
43.99000000000001
43
0.6124
0
71
158
N/A
16.067999999999984
16
0.8109
0
158
210
N/A
511.294
511
0.831
0
1205
210
N/A
2.0160000000000196
2
0.7815
0
202
210
N/A
277.20500000000004
277
0.835
0
210
1001
N/A
276.24600000000004
276
0.7578
0
163
956
N/A
8.892999999999915
8
0.6408
0
956
978
N/A
15.995000000000005
15
0.7804
0
956
1001
N/A
3.1899999999999977
3
0.6959
0
740
751
N/A
175.19800000000004
175
0.5451
0
882
441
N/A
26.01600000000002
26
0.8842
0
4
30
N/A
234.08899999999994
234
0.9451
0
1205
1001
N/A
67.04200000000003
67
0.8117
0
1205
1248
N/A
244.10999999999996
244
0.781
0
1190
861
N/A
107.02600000000001
107
0.7315
0
600
241
N/A
55.841999999999985
55
0.5969
0
680
831
N/A
75.995
75
0.8023
0
558
293
N/A
13.979000000000042
13
0.7826
0
241
293
N/A
2.0159999999999627
2
0.6332
0
966
978
N/A
0.1279999999999859
0
0.7197
0
194
198
N/A
202.04199999999997
202
0.6751
0
978
496
N/A
17.882000000000005
17
0.7387
0
198
260
N/A
nf_resume_cmd.sh 0000644 0000000 0000000 00000001173 14616267257 012740 0 ustar root root nextflow run /app/workflows_user/Transitive_alignment_workflow/nf_workflow.nf -params-file /data/nf_data/server/nf_tasks/86dad9a8ac764417a850e3fb8dbe3d18/job_parameters.yaml -w /data/nf_data/server/nf_work/86dad9a8ac764417a850e3fb8dbe3d18 -with-report /data/nf_data/server/nf_tasks/86dad9a8ac764417a850e3fb8dbe3d18/job_report.html -with-timeline /data/nf_data/server/nf_tasks/86dad9a8ac764417a850e3fb8dbe3d18/job_timeline.html -with-dag /data/nf_data/server/nf_tasks/86dad9a8ac764417a850e3fb8dbe3d18/job_dag.html -resume -with-weblog http://localhost:4000/nf_weblog/86dad9a8ac764417a850e3fb8dbe3d18 -c /app/launchserver/nextflow.config submission_parameters.yaml 0000644 0000000 0000000 00000001413 14616267257 015075 0 ustar root root create_time: 2024-05-06 16:57:08 PDT-0700
description: 'induced transitive alignment test dataset '
induced_mst_filter: Greedy_MST
induced_network_option: intersection
induced_networking_min_cosine: '0.5'
input_graphml: TASKLOCATION/3232258d36124077b4dc3e017a8103d6/nf_output/networking/network_singletons.graphml
input_pairs: TASKLOCATION/3232258d36124077b4dc3e017a8103d6/nf_output/networking/merged_pairs.tsv
input_spectra: TASKLOCATION/3232258d36124077b4dc3e017a8103d6/nf_output/clustering/specs_ms.mgf
max_hops: '5'
mst_filter: 'No'
networking_min_cosine: '0.4'
source_node: '261'
task: 86dad9a8ac764417a850e3fb8dbe3d18
topology_cliquemincosine: '0.7'
workflow_option: Induced_network
workflow_version: SERVER:0.1.2;WORKFLOW:0.4.1
workflowname: Transitive_alignment_workflow
workflowdisplay.yaml 0000644 0000000 0000000 00000002253 14616267257 013722 0 ustar root root name: Transitive_alignment_workflow
displayname: STUFF
Views:
- name: Visualize Network in Browser
displayname: Visualize Full Network in Browser
viewname: visualizefullnetwork
displaytype: linkout
parameters:
baseurl: /dashboards/networkviewer
urlparam:
- usi:mzdata:OMETATASK-[task]:nf_output/network/network.graphml
- usi-mgf:mzdata:OMETATASK-[task]:nf_output/spectra/specs_ms.mgf
- name: Transitive Pairs List
displayname: Transitive Pairs List
viewname: pairslist
displaytype: datatable_serverbig
parameters:
filename: nf_output/trans_pairs.tsv
columns:
- title: "Source_Node"
data: Source_Node
- title: "Target_Node"
data: Target_Node
- title: "Distance"
data: Distance
- title: "Original_Cosine"
data: Original_Cosine
- title: "Transitive_Alignment_Score"
data: Transitive_Alignment_Score
- title: "Delta_Score"
data: Delta_Score
- title: "Re-aligned_paths"
data: Re-aligned_paths