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"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
author recetox
date Tue, 22 Mar 2022 16:07:32 +0000
parents
children ba5e9bd05d5b
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217.125485325482        21248746.0
240.029775420271        3695895.0
244.118357628305        18691646.0

NAME: C037
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 164.57
RETENTIONINDEX: 1297.760417
NUM PEAKS: 35
88.065648072109         2909417.0
100.05774324508         570828303.0
104.052663354691        113057636.0
115.039365172821        6912201.0
132.039935340714        13068261.0
150.084318938918        3273009.0
151.057218718849        5621473.0
174.101827649603        69576952.0
174.121707683095        41793928.0
174.129399107662        26043834.0
175.074182132731        8755034.0
176.080082088973        6953227.0
176.115263922415        58860549.0
177.087385610171        12117618.0
177.112969447331        58005786.0
178.071552708833        4329893.0
184.102504790013        4927512.0
188.037593629224        28574515.0
188.055489248915        19926891.0
190.052504774761        9071110.0
240.087098126988        13755638.0
246.115844704042        147165843.0
247.11526397017         16371542.0
248.112516183694        15630764.0
248.125810692553        33707017.0
248.131422378151        2161708928.0
248.146915664032        18210297.0
249.13338272019         294557644.0
250.129606017071        227935940.0
251.106719477652        21879037.0
251.128730170043        22443020.0
254.045550223759        639791.0
276.123899136767        500776763.0
277.126049507598        77562674.0
278.122767633947        41927737.0

NAME: C092
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 171.32
RETENTIONINDEX: 1331.919192
NUM PEAKS: 15
103.03911365735         771061.0
124.09959074018         193541.0
126.049043747126        4096586.0
141.059915567497        19620218.0
144.096063050317        12060092.0
148.066495896766        181996507.0
155.015931149366        7674453.0
158.11202192104         38403073.0
166.086272073102        4429405.0
169.104296895199        9550796.0
187.115438656847        10340768.0
197.135417224772        385552.0
216.14987887989         201390.0
242.084161587561        3156471.0
292.134042100481        33771571.0

NAME: C021
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 174.46
RETENTIONINDEX: 1347.777778
NUM PEAKS: 43
72.0264091966997        7472857.0
88.0577088714458        75511733.0
100.021291862912        145425986.0
115.074466691225        16771253.0
116.052582380058        482773646.0
117.053536429165        30325084.0
118.049377960975        14118270.0
144.047587075185        25734799.0
144.065861001757        21394752.0
152.106985820201        1914175.0
172.097257258321        132490527.0
174.039898822532        56190890.0
188.092123859557        2852792256.0
189.092734875815        363952910.0
190.095005392376        10870144.0
192.050464793393        8973928.0
204.112556460432        63942318.0
204.123376447631        12719839761.0
204.134676198312        66737867.0
204.139941497902        46318871.0
205.122632691615        1150416823.0
205.126662299229        458925490.0
206.120266399826        887840102.0
206.126113762009        75294274.0
207.124053272438        77824785.0
208.117049207678        12307457.0
215.145969010933        4760385.0
216.088392455766        405059144.0
217.086705454619        37923505.0
218.06595654972         27566454.0
218.090280660191        42294660.0
218.102483700947        814574173.0
219.101982405783        183247942.0
228.110874054133        11293007.0
260.131785679153        11160513.0
262.110673670276        31458181.0
278.141910039176        689863784.0
279.14171697765         106291754.0
280.138379911323        68542502.0
290.105762618935        8621932.0
306.136776606337        161984129.0
307.137483661718        26795541.0
308.134616672218        10569487.0

NAME: C016
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 179.44
RETENTIONINDEX: 1372.929293
NUM PEAKS: 52
72.7865413795848        11053016.0
76.0213646333752        59206242.0
86.0420870540736        225533571.0
87.0624776950782        21372082.0
94.031968242506         5379284.0
99.0624848569809        8373743.0
101.065578958178        580382063.0
102.065087486925        29099700.0
102.068929955634        24457328.0
103.062411030714        19116993.0
117.07243604453         328676795.0
118.072671501619        17259686.0
118.076366276482        22067336.0
119.070202511149        13483430.0
129.08861813606         20358954.0
129.092276040002        25640101.0
130.06011952178         9655585.0
130.067560646277        74460539.0
130.085939269477        14047444.0
131.051786739069        77155784.0
131.057228836848        5892782.0
132.053815168466        9945148.0
162.07652189767         28278876.0
166.071447902565        2131407.0
176.091961706958        20359637.0
177.039595821552        14107543.0
186.112644914298        35742801.0
187.083534505033        2872457.0
202.107788980815        334102807.0
203.091631632482        47452203.0
203.107437976876        31819921.0
204.078652652347        15905573.0
205.075050681063        12835558.0
209.110379746737        8896653.0
218.138865175698        1509022704.0
218.151727223505        14813284.0
219.139434277936        162304737.0
220.135999858668        122208241.0
221.140005152944        9266678.0
222.11182652092         5070439.0
224.133938402791        5579137.0
231.086793174909        17467855.0
232.082126936244        4650017.0
232.099725623874        5669989.0
291.150168877686        853154478.0
292.157980784891        403452660.0
294.155602988375        31675973.0
295.156542751759        3658441.0
322.14914268189         3261459.0
323.007108119393        35075548.0
401.984380095051        5308469.0
443.139940152175        432200.0

NAME: C109
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 182.59
RETENTIONINDEX: 1388.838384
NUM PEAKS: 13
91.0210592896161        3186071.0
91.0308926128437        828692.0
157.042815523964        652885.0
181.079050651957        11261511.0
184.16951845831         706455.0
195.094798512952        6513457.0
212.037060112129        23072042.0
242.066085465199        320577.0
254.115014641582        6934236.0
255.053626966444        1009816.0
261.108792784792        6485998.0
277.091919009037        7671762.0
373.090211119239        3867577.0

NAME: C079
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 187.28
RETENTIONINDEX: 1412.916667
NUM PEAKS: 19
72.0444096792505        495685.0
82.0413366474573        927163.0
96.0325790086853        4086928.0
109.063839221048        660841.0
113.078045394381        4881792.0
114.066282604429        6649947.0
116.016382711602        342913.0
127.075017028619        5205545.0
158.081260149311        49026636.0
171.119910749544        23889810.0
185.099276423105        3908644.0
226.058560861294        7414123.0
226.149715066788        7427639.0
227.103268739546        7222558.0
234.097490563006        11943673.0
242.126702599274        3787703.0
247.062398333072        4793712.0
256.208872640311        1544873.0
262.092711001871        2142612.0

NAME: C116
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 193.97
RETENTIONINDEX: 1447.760417
NUM PEAKS: 12
71.0684956641474        2814536.0
92.0256664113358        5054330.0
98.0600935990143        7885202.0
141.096737364068        19292429.0
142.096508376031        5479590.0
169.091782431502        4293516.0
243.134126781181        24495914.0
254.069510657139        6437345.0
258.158044627866        2676876.0
262.075392249003        1098363.0
350.144811639914        6984227.0
351.147342288197        1435112.0

NAME: C123
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 195.79
RETENTIONINDEX: 1457.239583
NUM PEAKS: 11
326.965460704079        981202548.0
327.965399182548        227494183.0
328.962357518322        179959115.0
345.975770092518        51651785.0
382.974038891602        99511187.0
399.00501819882         198252048.0
400.00553554177         58792094.0
416.036541983517        121783910.0
503.107808676698        108443985.0
504.107911109989        44649761.0
505.105001235918        33970980.0

NAME: C135
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 196.35
RETENTIONINDEX: 1460.15625
NUM PEAKS: 10
71.0729911892847        3516033.0
110.096437821431        1408800.0
113.107370559878        321446.0
141.10212471319         289200.0
153.078398991036        364289.0
166.086276338808        2738338.0
255.086449502676        11886908.0
320.116138181218        12175594.0
321.115969304435        2230188.0
322.112756599316        1174429.0

NAME: C134
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 198.97
RETENTIONINDEX: 1473.802083
NUM PEAKS: 10
97.0760817741759        5103600.0
128.070546450242        2226147.0
131.015985831035        2314928.0
136.057695821624        2593658.0
171.047126292524        3614137.0
189.112580596878        15749797.0
191.109885360574        11802710.0
293.121950302718        9281141.0
319.085531070223        2093158.0
335.115837502972        1384885.0

NAME: C070
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 203.45
RETENTIONINDEX: 1497.135417
NUM PEAKS: 21
71.9900326310932        6882877.0
101.053667432486        6051292.0
102.06061903059         1818101.0
112.021318692472        2517880.0
113.052896415811        75701991.0
128.052574268696        502600743.0
129.054286261263        44406612.0
131.063300115294        45946331.0
142.01388407658         2322667.0
144.047505823991        8278434.0
153.047874024225        7510767.0
185.073926438887        15939045.0
199.089629716688        6261237.0
201.087937064203        54945486.0
205.107649731722        67815083.0
228.098242716664        44838149.0
243.098163229307        575756517.0
244.098153884446        53805751.0
251.157655456707        9494848.0
256.092914534743        60637508.0
284.137069774512        9201126.0

NAME: C056
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 205.48
RETENTIONINDEX: 1507.956989
NUM PEAKS: 24
70.0287715050893        30341458.0
85.0341997227367        4780405.0
119.015813274591        7049309.0
163.096946232205        225064880.0
164.096219979202        46176025.0
174.076317638024        73403292.0
176.073161599084        6860159.0
176.092137848142        83184591.0
188.128328885163        558016691.0
189.127936313374        53688812.0
189.132083631778        44021388.0
190.10765138533         29593136.0
190.125178313866        39558923.0
191.05522813377         15113844.0
218.102439661594        899460869.0
232.048693010749        2051571.0
232.118057323857        4868334161.0
233.117365463814        424200811.0
234.114389680817        361898004.0
235.119671324032        25337899.0
244.081887142168        41965938.0
262.147289626782        70616606.0
306.136800140734        135096829.0
349.155695570993        33453724.0

NAME: C062
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 206.31
RETENTIONINDEX: 1512.419355
NUM PEAKS: 23
86.0056909465919        8452040.0
93.5419202753569        5081560.0
102.5470933347          5979045.0
107.539313230004        7150696.0
114.051798614582        14388225.0
121.536532340708        6276410.0
126.036942603407        8233105.0
145.091551391841        13002000.0
154.774682962936        7956466.0
155.602271899135        7638282.0
156.069741806244        16611073.0
156.075333724454        34373373.0
156.083876756477        5636111315.0
156.567479042802        6877053.0
157.082808339765        200826888.0
165.09351209803         121463218.0
170.044887924478        7099501.0
204.051108337162        48718177.0
228.123249994902        46849947.0
259.100109927049        74761330.0
260.102161911685        6144509.0
276.107480453496        12305122.0
308.134719170038        25382855.0

NAME: C082
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 209.68
RETENTIONINDEX: 1530.537634
NUM PEAKS: 18
73.0319927340279        8198388.0
83.0059991909515        2023427.0
83.0603684872732        20013745.0
102.049430020269        35122484.0
108.080782369707        3275505.0
130.044566659181        9369153.0
141.052237889715        11350141.0
141.056885220233        17761527.0
174.09449672992         37198495.0
175.097783361047        8080387.0
182.050516431117        1410592.0
185.050291063008        25790902.0
221.09907019168         18278791.0
224.084560712156        2698139.0
257.13745816984         7431306.0
277.110050136138        4237505.0
319.121189747262        55334567.0
324.986273501567        70758767.0

NAME: C061
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 213.09
RETENTIONINDEX: 1548.870968
NUM PEAKS: 23
78.5367372017303        1797149.0
82.2924732499891        4111902.0
90.0369934314469        57987294.0
97.0468961053805        8793424.0
99.0373483938449        9408244.0
115.081255022638        275891309.0
115.086340397477        5885453.0
116.070147639043        33402202.0
121.084198905135        1929733.0
140.052671074775        138921642.0
141.029742924324        3647687.0
143.075945775749        107485870.0
144.075613145092        4455277.0
145.072880365499        5176239.0
187.108032314108        20627789.0
216.11100114062         14633876.0
226.081946372855        4136890.0
241.105955795097        7094422.0
252.110705093608        630092.0
313.1458465095          1747775.0
314.152410985193        165757093.0
329.177021039798        305909725.0
331.174301916418        25239957.0

NAME: C133
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 215.23
RETENTIONINDEX: 1560.376344
NUM PEAKS: 10
91.021060886597         5448854.0
156.047426344874        8766455.0
157.104145909864        8068462.0
196.078846420363        12804619.0
212.07282327289         15728539.0
239.066716294054        18039112.0
246.084453118727        6272562.0
261.144864576393        19234814.0
313.074094293766        2545854.0
371.16349876901         7174347.0

NAME: C087
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 216.37
RETENTIONINDEX: 1566.505376
NUM PEAKS: 16
81.0699122799464        7193809.0
112.039302366491        1146478.0
115.049815033535        1405137.0
118.066005779452        12820052.0
141.047770181165        6389666.0
162.094329219969        28676112.0
185.110256993159        6485633.0
198.058176229048        8901018.0
215.102937476032        27277105.0
228.074873817903        7042358.0
235.162429342164        423207.0
237.141930348336        11587469.0
247.117847991445        9017143.0
254.113904058049        13409875.0
265.173124190829        863821.0
300.136609336093        35744306.0

NAME: C025
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 220.4
RETENTIONINDEX: 1588.172043
NUM PEAKS: 39
86.0546034160969        4233859.0
98.0546561234615        5879036.0
98.0600901779517        9026381.0
99.0678953395317        3983913.0
101.029104891615        990685.0
101.995140172271        1181568.0
114.073423022262        62662130.0
127.03222555692         4696514.0
127.081178438345        10999132.0
128.040085859381        724327.0
130.060045045821        3511701.0
143.06934696188         19506953.0
153.060394297876        3832725.0
154.992258346541        18574763.0
156.034779027088        4913091.0
157.089745216771        178506862.0
158.089661285724        20609457.0
181.079057613068        5811601.0
182.969290052984        13920969.0
209.098070023574        2202098.0
211.000467232136        118673095.0
211.107760650974        15493946.0
211.99957568137         9779204.0
212.117038306675        3905392.0
212.997496375256        7444415.0
227.03220797037         13974530.0
229.011784503816        11805841.0
237.016166597947        11812605.0
239.055356959183        6727059.0
240.050700289777        3245809.0
240.058987122192        2666957.0
253.047743932437        8591863.0
257.113532295932        37477567.0
258.097829676371        104316303.0
283.061035728532        1483604.0
329.15312761282         16717103.0
341.207275674194        849848.0
342.149108121168        8368804.0
343.149777233033        14251513.0

NAME: C096
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 223.06
RETENTIONINDEX: 1602.017544
NUM PEAKS: 14
82.0107548635811        9409327.0
117.084209863329        26414161.0
128.08121010612         11831267.0
141.096787050115        32937919.0
158.095997560581        9462182.0
162.112735606381        146100308.0
164.109582135613        51865580.0
171.094656479863        45612419.0
214.071176900397        389879666.0
215.069236573814        22220747.0
215.115932614795        17902913.0
274.165129243192        14279403.0
348.207206883638        47756861.0
405.187841030246        11137480.0

NAME: C009
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 224.1
RETENTIONINDEX: 1606.578947
NUM PEAKS: 79
70.0651474139309        139112424.0
71.0684902270135        7777594.0
74.0420803705567        172011602.0
76.0389064937465        12494321.0
80.0494584523359        10633142.0
83.0311553711466        9481154.0
83.0365713984882        11928816.0
84.0444187108419        781379004.0
85.0475543482753        29552029.0
92.0526415544073        23291723.0
96.0263971718118        8694130.0
97.0760843858935        5191823.0
98.0420971537648        44148659.0
110.042094933292        17569164.0
112.057757845851        120425308.0
113.060878117354        11530464.0
113.065475349947        29433959.0
115.068660545159        14885084.0
117.096785073614        41610153.0
128.088974937905        3176257102.0
129.084336283751        31726391.0
129.088599822012        154452062.0
129.092243327164        193059260.0
130.085882872455        105974980.0
130.091953806764        12436064.0
142.104728421893        1378680520.0
143.099515155453        17230789.0
143.104305019259        69973033.0
143.107987575828        104807155.0
144.101457214594        47262430.0
144.107604158414        87979954.0
147.09517119681         9341143.0
154.068219317632        44835481.0
157.067782241913        61769597.0
157.115438273807        22409692.0
158.063016986513        148590120.0
162.089012638044        38410164.0
163.112375602318        67297177.0
163.116061438833        29137485.0
166.071517232473        2637997.0
169.091734615225        7240314.0
169.115450239152        13324067.0
176.091971992079        11420700.0
198.076865393911        11317317.0
202.107669445246        99282092.0
216.050840264917        25368748.0
216.123457137849        89587360.0
217.125002543748        19623810.0
227.103101110301        34734291.0
230.102912184687        1431679218.0
232.099695135799        98655211.0
236.131918237478        28315772.0
240.087635671579        8305788.0
241.154860899519        32994751.0
243.134204923439        100268651.0
244.118620160097        81705892.0
245.126148690942        84188858.0
246.118713398318        68986602.0
246.13394892703         10503956854.0
247.135560589937        1079597157.0
248.130785854386        761465084.0
249.135473253515        64125725.0
258.157992411573        33386236.0
259.141670012822        42922962.0
260.094530835753        26697267.0
273.121623153072        26043763.0
274.12860026311         102801870.0
275.131105637184        14079930.0
330.136661226378        17935324.0
332.115055198097        33155258.0
348.147799838405        311563864.0
349.148833391025        70017143.0
349.20868703784         42455220.0
350.144280194407        39912646.0
350.2040314465          121155420.0
363.171374525576        196318825.0
363.175076842359        32440531.0
364.172728479024        53615436.0
365.168566275393        17869772.0

NAME: C075
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 226.89
RETENTIONINDEX: 1618.815789
NUM PEAKS: 20
92.0621124439044        10083533.0
94.041338414013         192196101.0
120.080733019764        8732378.0
121.046156939614        7792000.0
138.939679661215        30844031.0
149.077999541009        22086155.0
163.096956649724        70327395.0
179.052255306392        3718901.0
188.092139619269        147095698.0
191.112132679554        20287841.0
192.108269037745        12601755.0
213.123564793047        28257643.0
216.087377236004        269085629.0
218.090159449034        61892522.0
220.100648535991        65148322.0
251.091630360367        5777363.0
278.10189248891         24583124.0
303.172997368838        54371508.0
304.174150128002        15500826.0
313.17649026124         11010053.0

NAME: C052
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 227.17
RETENTIONINDEX: 1620.04386
NUM PEAKS: 25
89.0385785189927        5289960.0
91.0542471805262        67458422.0
93.0155621223373        4098805.0
105.015584966658        3012624.0
110.908351406181        4593624.0
135.062511368625        7294017.0
177.07315702685         43212792.0
178.068584575157        5376535.0
178.076422680562        4302858.0
192.115164059078        11101397.0
192.120007409595        1267172163.0
193.11932119015         23188938.0
193.123763215916        144215709.0
194.116446541561        41037440.0
194.122672611226        4707634.0
194.12710782654         5797748.0
195.120177910678        13144019.0
204.081391628785        36302451.0
218.102474915436        1785729118.0
235.059688439171        3645356.0
250.108197056616        1400565.0
266.139462128342        139966509.0
267.122863966466        29163329.0
267.143692953673        18410343.0
268.137066384738        10249441.0

NAME: C130
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 232.72
RETENTIONINDEX: 1644.385965
NUM PEAKS: 10
100.075746906716        227381.0
196.053807543446        3811893.0
199.126171249958        3392526.0
211.076648184639        6499392.0
214.063472855919        256462.0
256.129374078582        12900570.0
288.144402541251        37827726.0
300.175266781577        3697466.0
345.172121835715        28905140.0
451.076705770543        6076963.0

NAME: C015
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 235.46
RETENTIONINDEX: 1656.403509
NUM PEAKS: 52
81.5257171655814        2342972.0
116.088989702621        366927024.0
117.088566719023        18779495.0
117.092247982898        18608741.0
118.085751190676        23496966.0
125.053035248521        14136115.0
132.075896410065        24306761.0
132.083778515899        333711935.0
132.089601787336        6373323.0
133.0728587722          4553810.0
133.087207459741        24346673.0
134.081033973201        12128052.0
140.076335084148        17890106.0
142.085157136161        42269261.0
143.081040162173        15954185.0
144.047595179679        28255023.0
159.070534507671        80444141.0
160.070519411508        3549888.0
161.067881506645        3548441.0
162.05799001229         1293169.0
169.078970408662        17221701.0
174.076337630878        18631839.0
190.088324913941        66324581.0
190.125274394584        33897102.0
199.072442726318        13117215.0
202.073511069937        96350788.0
204.051039571696        31718126.0
211.027422474273        15347040.0
227.066888327164        10205330.0
228.050593694055        6971599.0
230.129433815993        22675313.0
231.133869389741        403614327.0
233.13059513764         91994730.0
234.13482856447         3513995.0
238.038440194626        10702414.0
239.037391060781        1905808.0
240.034854912293        7657400.0
242.102443600672        14934741.0
244.081901779873        12468537.0
245.089202126751        44768875.0
252.053950481703        757229.0
258.120872110843        149452229.0
316.121419149075        38568672.0
317.12223565963         7838937.0
318.119318279455        4981470.0
326.086565186981        916483.0
326.108780005433        171435050.0
326.117824946546        2488856.0
327.10935199278         40422930.0
333.147777169734        16086741.0
422.166173727523        2682476.0
423.167519530481        10948363.0

NAME: C060
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 241.88
RETENTIONINDEX: 1684.561404
NUM PEAKS: 23
85.05222588766          7966650.0
128.076378260131        2061948.0
189.087452773401        754232978.0
197.097703441197        2371913.0
230.078679122507        8088247.0
237.016058554141        10264352.0
253.048021169782        7105185.0
254.047839604727        1185523.0
255.044617691864        8575686.0
266.180878918385        1274800.0
269.079292685435        21714435.0
272.076709672255        1934902.0
285.156476345942        3743706.0
295.058322185509        948531.0
295.103218012876        7993300.0
311.089639571611        8934435.0
312.091352265621        2372037.0
343.097064706125        631810.0
382.974072779383        9498266.0
399.004945989705        2332675.0
399.123836885659        1445946.0
417.212009570941        1577094.0
418.21324904623         440038.0

NAME: C131
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 244.17
RETENTIONINDEX: 1694.605263
NUM PEAKS: 10
84.0769703759275        1279290.0
84.0808081884444        132577865.0
145.031573135631        4631612.0
171.131269627093        23323209.0
237.129322964785        6948727.0
255.086493033151        4966255.0
268.129737822796        15202361.0
304.139310254102        39021975.0
362.223955407211        23093525.0
363.225110247131        7697915.0

NAME: C132
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 246
RETENTIONINDEX: 1702.564103
NUM PEAKS: 10
98.9899840676006        782715.0
129.01886344513         540545.0
179.078273860553        5815646.0
188.146715893404        240881.0
224.084819531774        6920349.0
230.042788908469        998764.0
261.079297941542        4484877.0
277.07305867861         2843306.0
407.179935116116        4061405.0
416.168773053585        722583.0

NAME: C073
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 249.86
RETENTIONINDEX: 1719.059829
NUM PEAKS: 20
118.07263396305         11974885.0
118.07632305467         15811544.0
119.070403949269        36014287.0
127.074714634422        9075716.0
139.068624212545        20293043.0
192.066761169272        2255499.0
196.039622469857        620641.0
220.125567491146        5770632.0
224.034475028308        947707.0
227.132405311917        1727367.0
227.139540084923        231163365.0
229.137992815184        8282330.0
234.057936255385        412959.0
244.062456657991        8618236.0
308.124586118414        9285842.0
317.188996733411        36082148.0
318.089992574514        4879221.0
318.190275518303        12356953.0
410.135497302167        1156699.0
425.159754117858        2103613.0

NAME: C090
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 252.45
RETENTIONINDEX: 1730.128205
NUM PEAKS: 15
78.0150283718037        11094241.0
82.0413600726015        3472205.0
83.0729497777523        5495064.0
95.0313039040079        11753136.0
96.0389820742677        2623890.0
112.070242473693        5698542.0
117.072956558563        28044543.0
154.044421378019        3547510.0
195.010773113233        12378140.0
199.060397208906        8760277.0
201.039667908511        9705769.0
253.082060981434        14041241.0
254.090457480476        61475546.0
269.04087990068         6486141.0
286.080061254042        2048356.0

NAME: C091
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 252.94
RETENTIONINDEX: 1732.222222
NUM PEAKS: 15
71.2636758338441        898184.0
81.0155661431584        1832694.0
93.7758955290158        484708.0
95.0128057396915        14706472.0
109.999867429631        990675.0
168.023590336606        1646726.0
170.034668364953        822390.0
182.03921140829         1101294.0
212.045703007572        17874219.0
228.099516911932        9450707.0
245.029398730581        580122.0
286.063163225558        19610744.0
376.112012067939        36159802.0
377.106943870878        34336936.0
378.108948843125        6846802.0

NAME: C007
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 255.61
RETENTIONINDEX: 1743.632479
NUM PEAKS: 119
74.7662269069405        28659501.0
75.0165394537007        5408289.0
75.2655505326648        4908677.0
78.7739813661436        5229360.0
85.0760482452284        4319555.0
85.2687580277009        4315013.0
89.2764898057007        16566122.0
89.2782060538666        3983713.0
89.5264619681224        2672321.0
96.783784673388         8099779.0
101.041713200275        48886049.0
102.041281120941        2174203.0
115.020972177741        7215871.0
119.052038377979        7917522.0
136.972071099239        17080140.0
151.033807130423        14926420.0
154.982575945852        9596911.0
164.958667018442        13730826.0
166.055671420874        4951709.0
178.974200966683        10155080.0
180.953525448273        27142382.0
180.990025741337        6341291.0
181.952867865781        7869793.0
182.969329530525        23307021.0
192.000421566834        9112943.0
192.989918180386        21827190.0
192.99778111437         20801165.0
193.016544790042        12470944.0
193.979653193508        6913030.0
195.005686443198        35570417.0
196.00493437914         5265356.0
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197.002488746995        3118590.0
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210.028921411283        5615519.0
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211.999398375777        34586347.0
212.004861571041        12406371.0
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212.9975042017          26197580.0
213.003978112468        10831067.0
225.01612303133         22333511.0
225.052797955866        206057626.0
226.060565492441        3389954.0
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227.052799888971        12772356.0
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229.012120567941        23810729.0
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241.047341352483        207906852.0
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254.972846682584        13531396.0
255.008483887711        15342672.0
256.071141377417        81909414.0
268.987902111948        14254738.0
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283.038975322888        87835245.0
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301.067944921725        214638799.0
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314.094913595715        111538353.0
315.102720545797        468877656.0
316.102908849083        85560040.0
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328.110559855461        95255437.0
329.108582685471        12644630.0
330.106930570537        10213951.0
341.081343197731        276960092.0
341.11888367427         11101014.0
342.082160954159        54098458.0
342.127028260288        21039635.0
343.076683676259        26248533.0
343.125939758345        5494072.0
344.079681545077        3228995.0
355.096548498127        5639384.0
357.053452616687        770518.0
357.112852227816        1419826813.0
358.114507264212        308133709.0
359.109392208617        135315300.0
360.10918270164         21795318.0
361.106769057519        2647198.0
370.121305630407        77253072.0
372.117239703046        7842658.0
373.090157801307        154307401.0
374.090145897151        40529125.0
375.086930821141        14879746.0
376.088465780235        3201446.0
387.141801800076        194716594.0
388.14272049295         54288141.0
389.121794330345        51552580.0
389.139716910748        26455325.0
390.122870081354        15811973.0
390.14085468152         4743299.0
391.117665384179        7388552.0
415.13661717973         18122344.0
416.13820741755         5229472.0
417.134378998117        2097641.0
445.147054985178        149695331.0
446.149250684875        44505012.0
447.142729535056        21358582.0
448.145457454299        5816090.0

NAME: C074
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 259.17
RETENTIONINDEX: 1758.846154
NUM PEAKS: 20
126.016080002086        4941917.0
132.075657169181        8969723.0
139.068614200867        114965772.0
140.070739211412        18704516.0
145.091295619301        18230547.0
152.068006005621        26032026.0
157.079298013789        22097833.0
167.063446035077        7637909.0
191.000754021402        30068102.0
192.980190014293        39898049.0
207.032162869352        138353933.0
211.107609948742        17306549.0
213.087465978544        12814464.0
229.118682134766        92452868.0
245.149855924245        73216391.0
247.147596335992        25215552.0
274.147526914299        12582873.0
291.098090536527        4165271.0
315.119061879474        14036802.0
347.162432204271        48228925.0

NAME: C104
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 264.31
RETENTIONINDEX: 1780.811966
NUM PEAKS: 14
75.274260337116         699148.0
75.27558682315          5135097.0
99.0315328814508        1410372.0
122.034410844584        455432.0
160.042418272986        17477008.0
274.110914832273        2457484.0
295.081498204371        2000098.0
301.103332562336        46324742.0
302.105678901839        9590366.0
303.10023720627         7032879.0
304.102696498011        2280656.0
324.192115011795        2775056.0
359.128528945856        2952806.0
374.15040425928         3490915.0

NAME: C102
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 267.02
RETENTIONINDEX: 1792.393162
NUM PEAKS: 14
109.298604392835        1034634.0
166.043193321143        11953324.0
199.035036188672        4700564.0
222.052027007846        2726301.0
229.107536969293        150436733.0
238.0831600588          9351295.0
257.102413670521        109358964.0
283.103764127           22340471.0
303.162766165312        15455757.0
347.152119752122        37979848.0
437.201812202121        121758746.0
438.204194739185        37860758.0
439.199135686108        16033423.0
440.201030893375        3896022.0

NAME: C103
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 267.41
RETENTIONINDEX: 1794.059829
NUM PEAKS: 14
136.099464581649        2199013.0
144.101480389314        26532517.0
181.025025013841        4163610.0
213.075188202188        28215792.0
249.062202030633        1380043.0
265.093342623886        74859942.0
265.096800970161        8020555.0
266.095756419887        11358859.0
267.089432816724        37684790.0
280.117123586956        25151233.0
287.057739285826        56405501.0
383.175899768923        17857305.0
405.187787045372        20375377.0
406.189298775194        15632795.0

NAME: C001
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 268.99
RETENTIONINDEX: 1800.989583
NUM PEAKS: 160
72.0389617714179        56416115.0
76.0256553376053        49220925.0
76.0295086554853        17884882.0
77.0053275563467        26589154.0
83.0127800769552        72764369.0
83.031134902227         10179311.0
86.7773291870617        23734479.0
87.0624748029292        7498889.0
93.7759098981009        12284319.0
97.0468722156908        49324192.0
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103.002983736029        18397693.0
106.894754414816        8004841.0
111.007632749245        107433124.0
117.018501739727        52467543.0
131.034273710906        359133132.0
133.013526291087        493499083.0
133.031172492717        17650343.0
135.01033343891         29110842.0
135.029247366931        21569969.0
135.046364355946        10818621.0
136.941594609304        50570227.0
138.939618370595        53903907.0
139.002532294836        49931624.0
139.056768289213        98175121.0
141.036538750422        115707572.0
141.084158860874        74023269.0
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143.015834635052        48987316.0
143.052340331432        420396997.0
143.10428859825         31762860.0
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145.049469553608        40966670.0
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148.066687703799        456715218.0
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150.04583614918         369731636.0
150.064532557665        20279235.0
151.023931616767        305971501.0
151.041613361558        216314524.0
152.023573104507        39184709.0
155.052170983022        14728905.0
157.031392134453        61582084.0
157.049811244805        28679691.0
159.046994608899        9542515.0
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165.093540352647        75534890.0
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168.054993436637        9530750.0
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173.044685418755        35853332.0
177.039641177724        20626924.0
183.047097257536        4559958550.0
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184.046358120662        106511561.0
184.050443416           414898624.0
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348.117170455813        502372522.0
349.111470583401        192929894.0
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363.147239489188        501421400.0
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437.166396736386        13112392.0
465.161043379028        95478801.0
466.161597834963        34006381.0
467.158862655379        15850483.0

NAME: C042
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 271.39
RETENTIONINDEX: 1813.489583
NUM PEAKS: 31
73.0496913278189        28814308.0
77.1200656369992        2610968.0
78.0116637721411        1903654.0
82.5993944596822        2937109.0
105.14829183878         6300835.0
120.052745765447        1591256.0
121.04598949235         6258690.0
124.163519100232        5753581.0
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142.085584756459        19497605.0
157.11542090916         241699352.0
170.234042335997        4071716.0
181.149572704242        5692404.0
182.074490789042        9160864.0
187.102405332504        3278126.0
187.108071237175        8927372.0
196.08992454356         4156821.0
197.0977124259          4237990.0
197.177720887346        10094494.0
210.069579445585        4771734.0
225.092168639625        12436256.0
240.135122398135        10899504.0
256.1657476594          171285128.0
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258.162446023868        14108970.0
278.291413696853        3978698.0
286.414411533465        4701336.0
287.113120857513        14834782.0
373.20242050704         7382425.0

NAME: C010
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 271.76
RETENTIONINDEX: 1815.416667
NUM PEAKS: 75
74.0648599976579        2331310.0
74.0982071329357        3142939.0
76.0323849976885        41159396.0
76.0656850092731        960931.0
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102.12638819522         975325.0
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106.154615341325        4796750.0
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118.154533734757        2252994.0
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214.178492134033        872909.0
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293.346593882399        726925.0
309.375250457867        899895.0
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328.391885626277        2521764.0
329.397982197985        13276722.0
330.403963356557        41962736.0
331.407288294656        8294118.0
332.4002214553          1539765.0

NAME: C127
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 276.83
RETENTIONINDEX: 1841.822917
NUM PEAKS: 11
85.0841458215141        22919271.0
133.049920596871        153277853.0
171.107296239557        3514985.0
172.115090783093        16577801.0
225.105416537797        36045918.0
232.154958300903        47783666.0
233.156815759114        49693338.0
239.157190418806        13613585.0
267.1520954935          22024016.0
295.103200060337        2744427.0
349.190930744946        6200711.0

NAME: C101
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 279.31
RETENTIONINDEX: 1854.739583
NUM PEAKS: 14
74.0463688794247        258008001.0
74.0501380873391        161361179.0
75.0436558637419        194224204.0
124.07574572662         2544036.0
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168.04748084841         16443824.0
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205.098730760524        29480906.0
220.108760701961        26036896.0
228.123205384359        30393677.0
276.148343131382        11768839.0
282.175609100282        14338097.0
286.12907474557         34428521.0
297.108251237699        13832829.0

NAME: C004
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 281.14
RETENTIONINDEX: 1864.270833
NUM PEAKS: 133
73.0442774196692        43427043.0
76.7877765636581        36867611.0
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335.156265735477        16470528.0
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342.136313045773        10306765.0
344.152591810826        21798292.0
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351.164342942217        13379794.0
358.167933699256        29617511.0
364.17811863351         334806610.0
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366.175689249457        29985899.0
376.178658020756        27285941.0
377.18063775328         13348755.0
390.195061114161        13993459.0
432.186649360652        22112168.0
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464.212596374886        14461181.0
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466.229037894481        11598169.0
522.237414197299        6572270.0
554.264791787775        8367305.0
555.265568698089        6612134.0

NAME: C110
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 283.88
RETENTIONINDEX: 1878.541667
NUM PEAKS: 13
79.9256163305807        35659407.0
81.9236198700107        42653638.0
106.072667217309        19289409.0
150.114982016025        2997998.0
157.067787655887        148497423.0
159.065301084116        15291412.0
184.10246728824         14490245.0
201.112581963398        26972484.0
209.110311112446        20026562.0
234.097803958994        31982659.0
269.126286241834        14054741.0
374.163371795822        16425034.0
523.244458527217        12922485.0

NAME: C086
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 287.21
RETENTIONINDEX: 1895.885417
NUM PEAKS: 17
83.0491443126251        13401535.0
130.067971115871        28748349.0
155.063559089007        14423687.0
158.07126507671         13741191.0
160.078885565698        49241857.0
177.075026176198        12630958.0
177.112494737753        19627341.0
182.110840378961        89305743.0
183.114206332572        8531414.0
195.107466181229        1494005.0
197.086464271805        14076623.0
206.109021043045        40736644.0
209.074227807948        43910745.0
220.053396995043        756198.0
248.15066362012         41422504.0
287.136540957075        45812665.0
359.17579757575         40316400.0

NAME: C051
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 290.47
RETENTIONINDEX: 1912.864583
NUM PEAKS: 26
84.0390302139215        34495281.0
84.0808088814813        38539264.0
113.065465107067        13871036.0
127.07556406171         17975528.0
150.073384723545        37346847.0
157.091993872177        37419491.0
158.116963019958        183329618.0
159.120428129784        90154928.0
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181.079102571762        11060338.0
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203.108021998189        29043651.0
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217.107403514199        972614564.0
222.094440447216        7807929.0
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245.115444444803        22254526.0
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273.181141144222        778604.0
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327.173734281077        33038676.0
387.182015624062        9324072.0
419.23933518559         17055063.0
434.262398831126        186648318.0
435.264755401562        61792189.0
436.259678230093        32932185.0

NAME: C002
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 290.89
RETENTIONINDEX: 1915.052083
NUM PEAKS: 154
74.0420834639321        120682786.0
80.0494750602472        12339346.0
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254.129501750287        22468081.0
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257.113547269649        157019561.0
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273.158421055509        86183840.0
274.146840544661        38353426.0
302.178660705055        15925694.0
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313.158276970897        15473630.0
317.225363435622        262506151.0
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319.222337550035        23286345.0
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356.163893265203        202635184.0
357.165536021859        53046367.0
358.15756032522         10878972.0
371.186890075188        108573235.0
372.188435718142        25975848.0

NAME: C032
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 293.8
RETENTIONINDEX: 1930.208333
NUM PEAKS: 37
77.0385700377892        5323543.0
97.0284464523265        17181168.0
101.057276691524        24373530.0
101.061050318588        23362152.0
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117.056256394175        19331208.0
119.049208444226        6556810.0
135.062499714989        46031035.0
144.053477738533        13635725.0
161.041476402708        11508318.0
169.079018375922        18215238.0
175.055505897625        9113762.0
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179.052334497828        3213462.0
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218.07617589558         9295248.0
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221.102841025724        24047780.0
248.091817520042        9584686.0
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265.107288629308        75402743.0
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267.086687778924        32556612.0
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282.159255908762        17786888.0
283.154778825553        21397685.0
296.160515979017        12792658.0
305.105780505281        19382666.0
321.153363611387        47305902.0
329.141929921441        15317245.0
332.158873244121        13684549.0
421.207975743072        24226802.0

NAME: C039
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 294.04
RETENTIONINDEX: 1931.458333
NUM PEAKS: 33
70.0371775180723        9802034.0
79.0542666937278        8688980.0
89.0386794726954        11620255.0
91.0542504618771        30947093.0
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115.054168772455        6832970.0
118.065786334856        15147158.0
130.031878160532        72453339.0
147.02636157237         5271163.0
151.05716747583         7189660.0
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163.096954971874        92944620.0
165.073061690929        21387568.0
171.047209275619        17771318.0
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218.102502561969        5983687580.0
280.154644213041        824926354.0
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282.15088194224         50345725.0
283.117879745799        11305583.0
292.116310171817        28849929.0
314.123625565021        14770799.0
319.157013077887        520878103.0
331.157793066718        48572665.0
333.136698745019        225287147.0
334.137621195451        65125521.0
335.132556913122        37587085.0
354.1735334822          259207371.0
355.175653733993        74511530.0
366.136938125334        8687761.0
382.167954545109        54003502.0
383.170213072623        13715188.0

NAME: C057
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 297.46
RETENTIONINDEX: 1949.270833
NUM PEAKS: 24
70.065140588591         69660390.0
71.0685090692803        7579324.0
71.0729882659317        42133327.0
72.0763513778915        4300577.0
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112.026718636136        3402144.0
122.083798734131        9823139.0
137.941259261835        5678267.0
139.939212596135        7093987.0
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224.086250536679        25057646.0
250.100449938395        12936223.0
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285.157711397125        17529741.0
311.139865703441        7125675.0
368.194431614721        5287483.0
403.153016350274        9316010.0

NAME: C105
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 301.53
RETENTIONINDEX: 1970.46875
NUM PEAKS: 14
93.2929770806677        8231767.0
97.0760985963802        12949528.0
99.0373577113971        188443426.0
125.047109936728        4861422.0
125.071000832572        10345514.0
158.135930546698        56097443.0
158.143352148289        2214477.0
160.138673134033        861169.0
165.138595827621        1253205.0
195.040409361997        1760217.0
200.073746662629        17723198.0
305.077240353515        3564492.0
321.108243566898        5687452.0
358.204650727784        2603646.0

NAME: C095
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 304.99
RETENTIONINDEX: 1988.489583
NUM PEAKS: 15
70.2768572196141        724390.0
71.0855622890958        8324691.0
99.0804759407409        5004735.0
122.070944775828        5861337.0
187.062693301317        22179077.0
226.113123269907        16424121.0
233.073874760072        6933083.0
251.066562683323        6779290.0
267.098126299649        41767825.0
293.192919830966        5088284.0
297.145129853966        36591139.0
350.184207657302        2705428.0
389.21040767739         3363788.0
413.197621511807        7653774.0
414.200120714475        2423762.0

NAME: C033
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 308.58
RETENTIONINDEX: 2007.666667
NUM PEAKS: 37
73.531605989471         771447.0
88.2802088536002        2354610.0
88.2818766644288        646520.0
92.0363412263476        2328206.0
221.067303451741        3755641.0
222.051669040714        10524048.0
237.061565171865        687333.0
238.083098637492        8557483.0
240.062245509132        10178596.0
256.093861318806        17484094.0
265.057118076144        9145518.0
266.058334909219        1732081.0
269.101188102132        9654992.0
278.101525992935        22792825.0
279.072861058162        5897290.0
279.108770697625        36753278.0
280.081173889904        6128749.0
280.107485275548        8521895.0
281.087787944372        4837816.0
281.105519178582        9807942.0
282.091190977393        3649387.0
283.084961315329        15684056.0
294.132890613133        55588073.0
295.103547633807        43574953.0
311.081455573088        1326825.0
337.096419323323        6588349.0
338.09676853852         13272175.0
339.09323718716         999466.0
353.127560017149        144550661.0
354.128795201405        49424632.0
355.122537504109        47330949.0
370.149102508131        10849913.0
371.138589402205        14600447.0
372.141582293114        4502669.0
411.142649067185        2314906.0
412.144697958491        466093.0
480.136478938358        1216442.0

NAME: C137
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 311.16
RETENTIONINDEX: 2022
NUM PEAKS: 10
97.0523060413644        5274140.0
152.081817899684        5093511.0
231.05015580275         1952393.0
300.168189469206        3392021.0
393.139989199004        13276616.0
394.140768692465        5648195.0
395.136574543683        4101790.0
408.162873967206        4943485.0
449.16686347877         9719334.0
450.1675539824          4920359.0

NAME: C138
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 314.44
RETENTIONINDEX: 2040.222222
NUM PEAKS: 10
112.087455345874        931066.0
199.126206505582        11612735.0
238.173528792889        4411816.0
269.193077691514        984294.0
285.224636538024        5330642.0
313.255337428782        10149376.0
314.259300664549        1992445.0
331.266299611949        7277851.0
332.269060065364        1371921.0
341.207198704854        7011991.0

NAME: C066
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 315.97
RETENTIONINDEX: 2048.722222
NUM PEAKS: 22
99.0315316962332        12865930.0
100.036937604265        8631754.0
100.075743226903        6768603.0
111.080433106783        6080081.0
172.11509290563         24400194.0
172.126208294695        23549921.0
173.11807984615         22927307.0
188.115048212186        26712025.0
216.134585437596        6692436.0
224.12145470542         8812625.0
227.102932336218        11076559.0
229.118606872887        11393756.0
244.165892119186        17851705.0
262.083636752485        4799137.0
267.134425329767        14779333.0
278.114188829313        17941186.0
289.176345314332        8331969.0
326.15276911208         13048543.0
333.262327728991        2404960.0
361.215894508414        13163596.0
384.188292781607        6800054.0
478.252938848116        6150369.0

NAME: C003
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 319.68
RETENTIONINDEX: 2069.333333
NUM PEAKS: 135
79.7880892478518        18841042.0
81.0447736395215        11849310.0
82.0287915205732        8641431.0
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275.131908166958        15282348.0
284.113416878425        8739042.0
284.137011207473        19427028.0
301.139887685895        13069124.0
303.156554156078        27321286.0
309.144715592211        11863564.0
315.155169787866        65230453.0
319.157101342607        733557628.0
320.158352325734        176280305.0
321.153241677135        74811478.0
322.157191869663        33601762.0
327.155355207603        17725445.0
333.166397555812        53890077.0
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360.184205186806        23337977.0
374.163526061853        21552675.0
399.195205285978        19867111.0
401.174241468972        35504809.0
417.205717817748        23250105.0
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418.207654920137        17403027.0
418.243205616146        12152742.0
475.229231161579        2756806.0
489.245871828029        38098072.0
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491.244269926889        10775524.0
523.250368109965        33514393.0
579.297280589764        6860747.0
595.292757936577        18386300.0
596.292128391308        11382024.0
597.290217290809        5672650.0

NAME: C040
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 321.31
RETENTIONINDEX: 2078.388889
NUM PEAKS: 33
86.0600682921472        9381159.0
95.0603938490297        15521059.0
97.0397339680025        24014067.0
101.041727191915        11405177.0
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110.060064337551        4270169.0
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116.052581648017        64632103.0
127.057390248286        25205024.0
143.063465628786        15227989.0
153.066212511408        20308902.0
155.052193908908        11192129.0
171.094683162695        145870739.0
173.086678279934        138408757.0
179.063456376317        25151325.0
185.07395505389         10245677.0
189.105132424236        17876612.0
194.089437340891        11945652.0
204.1102479839          32749740.0
207.032182874338        216347643.0
212.073668395226        6004502.0
223.088883694464        20724810.0
227.121667702625        16834252.0
235.100064731668        15241152.0
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255.11588382923         27970144.0
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286.128932061527        13523103.0
286.148425364417        16693436.0
313.139639980503        6608351.0
375.195189950703        13408933.0

NAME: C011
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 322.28
RETENTIONINDEX: 2083.777778
NUM PEAKS: 60
76.283885200383         48758943.0
76.5338715278987        7330057.0
81.033530773467         24285748.0
103.057424266746        75855115.0
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305.141591931944        3473641239.0
306.142075983677        691061412.0
307.137742387683        338327260.0
308.140557563281        44039918.0
316.133244628652        16028985.0
317.142174241451        23656199.0
318.149353523284        1793017305.0
329.142182403421        12334206.0
343.156260753335        85679829.0
344.158945743286        19266508.0
367.160275896842        105372219.0
392.168333222764        7002831.0
393.176681587806        80010031.0
432.200378434683        189476983.0
433.206131669451        102761038.0

NAME: C043
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 322.55
RETENTIONINDEX: 2085.277778
NUM PEAKS: 31
156.059933874872        8912861.0
177.039648677453        4799821.0
181.115563600531        7195900.0
193.09487906926         15763835.0
200.09747430305         23843031.0
231.116037759149        39959069.0
271.118058631062        26038024.0
280.166266545075        7691084.0
289.110428902479        16656379.0
320.145969537816        211414148.0
322.141612926358        22208031.0
331.157608063169        11160482.0
353.091465715207        23781118.0
366.135657911069        13102339.0
367.143453851581        69977117.0
379.161056373234        27830735.0
382.168034222366        63631531.0
383.168988095274        19107154.0
384.162965662993        9508332.0
394.178333716989        15610593.0
419.192353431449        38878069.0
420.193524293788        20283156.0
442.162856005418        77198856.0
443.158896747995        35519451.0
455.178042324859        9719421.0
456.186266752889        95734993.0
457.187818940189        37674463.0
458.182648048279        18615642.0
507.225806261072        36709055.0
508.226752580767        23206243.0
509.224447477455        20751399.0

NAME: C106
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 327.31
RETENTIONINDEX: 2113.024691
NUM PEAKS: 14
107.060453875425        16786624.0
108.031759954569        1145857.0
126.078753273933        6569465.0
140.106992964576        9610555.0
223.16234404227         2833124.0
315.179147857279        10357531.0
342.191499357712        22669547.0
343.195452147673        11955585.0
352.14363537673         164050830.0
353.195131688136        9878669.0
412.227603861564        2097760.0
431.14909170791         2788721.0
431.256719028879        8035505.0
471.251586123075        1314345.0

NAME: C048
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 332.6
RETENTIONINDEX: 2145.679012
NUM PEAKS: 28
72.5340064435056        602653.0
81.5458075142691        748715.0
132.549815754799        692988.0
170.086332975955        14785949.0
209.146835381513        5815023.0
249.09266209649         6128782.0
265.10006445182         42029006.0
280.122070170931        10233102.0
298.129092428406        4634830.0
312.192410839247        3728981.0
326.189386870785        60628380.0
365.164412462921        15415134.0
380.187494204804        6008176.0
381.19028863997         4661698.0
389.247712861929        1064591.0
389.265859120232        2982934.0
390.266611167546        1275499.0
401.210234296709        11323028.0
402.208423769061        9147276.0
407.175441272852        9382473.0
428.20358106623         17386556.0
429.204289307621        8328453.0
430.199491300068        7298945.0
463.284669340964        6008338.0
477.244130747149        11018691.0
478.247323567868        8304980.0
479.242460163612        13437070.0
568.243094623967        1152688.0

NAME: C128
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 335.48
RETENTIONINDEX: 2163.45679
NUM PEAKS: 11
168.10771511057         6496433.0
179.099973270114        8278283.0
229.167859589837        10526266.0
262.165339160395        1570498.0
280.129740627285        26305287.0
325.139799390333        14449217.0
345.202674259083        4725463.0
365.108800101615        4886272.0
368.231052349948        1022917.0
408.151160343815        2970922.0
535.325063070555        1044375.0

NAME: C058
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 337.17
RETENTIONINDEX: 2173.888889
NUM PEAKS: 24
151.068708939346        6326311.0
153.084160420566        38995370.0
166.092091496276        4747014.0
180.106307440027        5615264.0
229.118706822763        16495827.0
242.13894951891         8778723.0
255.098033765529        14728529.0
269.149968297132        9179999.0
294.120309828748        11842528.0
350.134907339258        5788130.0
370.215576228697        1013005.0
393.159839533096        11517444.0
402.183547226062        16054312.0
408.177100815743        8116858.0
409.190112906445        20290463.0
428.239370226939        3789585.0
433.178838799113        7126546.0
458.250083037298        13813998.0
459.251596150511        7135298.0
460.247482293901        5329131.0
474.275259072538        7332554.0
475.272308884899        4386161.0
491.260723228397        15793553.0
503.189317005826        1775627.0

NAME: C088
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 341.62
RETENTIONINDEX: 2201.222222
NUM PEAKS: 16
139.026374001664        418315.0
229.028993244417        1581728.0
308.0661764471          1347319.0
311.124091047552        8045403.0
367.097586611735        892466.0
381.113256909686        832454.0
391.061442625076        352738.0
394.121510882539        7414432.0
398.116541827689        1612937.0
407.091860285456        1403451.0
422.11623890417         813302.0
469.147286445836        845861.0
497.142377565761        760055.0
577.281853552635        1271702.0
587.194299857559        475452.0
588.196225913346        557356.0

NAME: C031
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 343.13
RETENTIONINDEX: 2209.611111
NUM PEAKS: 37
72.7865025490946        3119452.0
84.0570125020815        10351640.0
96.0569661170095        2101245.0
96.0933491830713        8713172.0
115.05421543577         2196595.0
129.056845534746        17608689.0
130.066123207302        20961857.0
143.031168061935        1238230.0
156.02646872089         2359707.0
170.041790350486        9668481.0
182.042138540521        1578868.0
187.081147591519        10230195.0
190.104681372046        18745425.0
191.10831419311         24334094.0
198.071978866131        4511635.0
199.081355814471        1538475.0
200.085103935158        378722.0
200.089020900464        36174698.0
202.09361267595         12120104.0
202.104399178954        1496153674.0
202.123405237656        6884529.0
203.108034494641        185788584.0
204.112019482859        10298841.0
228.031146874981        17202036.0
291.150224848427        252295104.0
292.14944436683         42884849.0
303.171143784156        22701791.0
315.135057127894        26685169.0
339.271102342351        5201728.0
340.274555519105        1187572.0
357.281508371165        1404552.0
378.173284553302        10451091.0
378.191794242698        7062388.0
386.21095819071         8210209.0
405.185483504135        9722900.0
408.094303631496        1224219.0
415.227090004689        8222201.0

NAME: C100
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 345.5
RETENTIONINDEX: 2222.777778
NUM PEAKS: 14
97.0648842103271        6553133.0
151.123001641522        1888355.0
152.107022835787        13320513.0
218.138923152415        143825074.0
223.035256197299        3603345.0
239.084770372489        8464870.0
241.172917841373        2079445.0
242.156980444567        9127389.0
243.160566761435        2019149.0
269.168258128339        8781373.0
271.155371915675        20686894.0
329.134270021151        11444351.0
359.217812274255        4401651.0
421.193522248259        11937431.0

NAME: C053
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 347.17
RETENTIONINDEX: 2232.055556
NUM PEAKS: 25
78.7740869050871        8055691.0
111.080476368988        5488486.0
190.125220022566        24667012.0
211.000521317283        26376725.0
254.973126461213        9040145.0
276.181100160821        3158616.0
297.224735916217        2755542.0
312.084531206027        1423350.0
312.2713039186          592013.0
313.086837264385        17708845.0
316.102625353557        19904204.0
341.286657906166        4779746.0
342.290119654517        1701755.0
354.09487578684         1261620.0
355.095806451485        961943.0
359.298056597227        3820794.0
360.300313452465        1128586.0
373.108218672414        2006290.0
387.14196934508         25541159.0
388.263241644667        4966565.0
390.140585103392        8817823.0
415.154940141313        3558856.0
463.176770947225        14251031.0
487.181910321167        3379363.0
560.229783067744        1188705.0

NAME: C081
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 349.36
RETENTIONINDEX: 2244.222222
NUM PEAKS: 19
160.097248474815        37944961.0
171.139155490584        2825640.0
177.065693459474        4185588.0
183.143591272214        2488306.0
189.053279950108        2951947.0
194.039669362714        575787.0
208.066274604781        7165576.0
210.028966396048        15955907.0
214.144296158427        23882854.0
224.097440461586        20099825.0
286.085578305541        2517939.0
303.210010165036        17594196.0
315.102702049513        52027878.0
356.093441209454        606292.0
373.090226708028        16121827.0
373.125226393284        12553837.0
382.108676128006        666416.0
428.168016595725        3210390.0
490.331197932816        1988457.0

NAME: C023
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 350.31
RETENTIONINDEX: 2249.5
NUM PEAKS: 43
77.7885574396821        1590119.0
124.075788278623        5681187.0
125.083506885518        5177663.0
144.047612810238        5133252.0
166.073706194287        3707793.0
181.079090288901        19322318.0
195.094738008829        17210348.0
197.110298763064        33071661.0
198.113793195862        4728406.0
209.074856013102        30425501.0
222.081884374246        20934434.0
222.105547760039        34080322.0
225.105381556765        43875541.0
226.10999825976         5271837.0
236.085093344827        5629641.0
250.100377911659        17847527.0
252.027456629912        1280764.0
268.058077173001        804408.0
284.089633213583        23032355.0
294.104467454403        17022037.0
296.089123702051        15944328.0
308.089752425178        1381989.0
311.160339268322        110100448.0
312.162791273021        14416832.0
322.104907894833        3119179.0
324.066773859332        589405.0
336.155480659395        24224181.0
337.163122984553        16293373.0
340.097839296447        2734342.0
340.149205503343        18352504.0
341.152768689947        10213101.0
356.129478542785        45440125.0
368.092935453573        2180163.0
371.129225115983        18114648.0
372.129927984702        7143897.0
386.103116306562        1141137.0
426.135464427951        3630137.0
458.143591165157        3108388.0
459.144017929584        899107.0
502.204686596231        8626039.0
504.203250053874        3671689.0
604.221538169222        1054387.0
605.223365106083        750123.0

NAME: C099
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 352.59
RETENTIONINDEX: 2262.166667
NUM PEAKS: 14
70.065147745459         17506737.0
98.0600973826433        18655906.0
121.076003615197        11472392.0
127.08122939655         19031659.0
128.080789049602        1545113.0
135.055372801214        9335801.0
154.068219859094        15011407.0
183.070703638794        16196165.0
207.094832754429        17043135.0
286.165502497372        13386170.0
295.10317869293         40857729.0
308.124557141883        18264119.0
546.243170847813        2377092.0
547.245146267633        1705141.0

NAME: C049
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 354.08
RETENTIONINDEX: 2270.444444
NUM PEAKS: 27
79.0333583763723        933879.0
138.078754758579        10054939.0
167.075990926035        3811167.0
169.091787625886        1889672.0
198.058222074911        8072127.0
198.09426359244         28423717.0
199.097823737752        3930811.0
212.11010578049         8380712.0
222.11818769099         6822698.0
226.08952822196         10579257.0
228.069035975462        4585986.0
237.068885736725        12061676.0
253.100444224127        11901575.0
260.073776876825        6398577.0
274.128814504016        32798858.0
288.144485209847        15891146.0
291.103927890412        5967014.0
302.160701389649        7593181.0
316.138742759983        59150358.0
317.142650649515        10686027.0
322.140243156254        17689217.0
322.171823918487        582053.0
330.155031394893        30005124.0
365.15800981015         18419308.0
401.154440046834        4281495.0
405.205067808521        15058221.0
521.235678890491        3962549.0

NAME: C044
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 357.7
RETENTIONINDEX: 2290.555556
NUM PEAKS: 29
139.044853486343        11006538.0
155.07608838016         34414806.0
162.127573030538        768810.0
170.050697004869        6553210.0
196.078852767748        5421755.0
220.053575074847        4660152.0
251.084810185094        12666571.0
266.157467848759        4672939.0
275.132474839638        25154951.0
281.075957587188        4276357.0
282.090322153702        4565357.0
306.162806962255        4175630.0
321.127961473115        6788838.0
350.225640874442        2612741.0
351.22873249849         4625144.0
355.114001766988        6930780.0
367.113610644371        3093304.0
378.220980356403        2030506.0
379.223102635378        445243.0
396.213194672075        1863375.0
411.200729887719        13486367.0
412.204022416186        3081525.0
424.208336285112        16179111.0
425.211373182034        4768860.0
438.223912383726        12537361.0
453.243565502489        1186187.0
467.262962248089        3803365.0
468.265027111697        1116445.0
470.250283831051        10438295.0

NAME: C017
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 363.28
RETENTIONINDEX: 2321.555556
NUM PEAKS: 52
71.5249297468395        246824.0
72.0444156740603        1726774.0
96.0444072131039        11266100.0
112.039308708706        6790422.0
113.047087267754        595753.0
138.054901673707        1710118.0
152.034126557822        21633027.0
156.023701807881        1967786.0
160.039220578349        32923367.0
164.034044369769        499581.0
166.050528490317        6718530.0
168.059981182251        4640395.0
178.04953633373         8240390.0
186.094306390545        25321594.0
187.097681648484        6160124.0
199.065318185637        8233103.0
200.04959610159         6582750.0
207.047215024998        11624832.0
209.062482948667        4620342.0
228.104835108508        12976891.0
234.058024007269        4152098.0
235.041774349505        9911154.0
236.073540813578        3485184.0
238.053507699979        3142392.0
242.114336943818        20725836.0
251.073039314037        4069211.0
252.068681412175        4503979.0
262.106485915524        7277480.0
263.108393668682        3276005.0
270.073861516055        5128172.0
283.082109287145        12423548.0
286.104988585487        39154375.0
287.107464137544        10058759.0
294.079077738347        832223.0
302.111577044952        2758207.0
324.10782685991         1874408.0
325.091831782177        2035733.0
333.122988617868        4182643.0
339.155423098214        20744911.0
349.103055195824        238665.0
366.118429355055        3199120.0
374.14466736748         4720531.0
384.128590697433        3181947.0
397.131397320935        5250056.0
411.169866084604        1673162.0
462.216349668248        6932026.0
474.17880037619         2245645.0
475.181385923857        2942038.0
481.194310772398        481103.0
564.229867412985        1096065.0
565.232671046918        455344.0
566.230541338632        549961.0

NAME: C064
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 375.89
RETENTIONINDEX: 2391.611111
NUM PEAKS: 23
110.047470637892        6642041.0
125.071035021628        16412359.0
126.042376643666        3220270.0
127.050111652578        746803.0
153.066274935992        14420478.0
167.044817615206        3176988.0
185.055118146592        2935718.0
198.081745517786        7677380.0
199.089585363372        39091219.0
205.060889654444        5541461.0
227.085322918536        16631439.0
253.100339408766        6678314.0
279.079307498393        8937829.0
281.095869479174        7222001.0
294.090577567429        1755530.0
313.139310733363        22974826.0
329.134217166591        12952648.0
459.18035104006         33219654.0
460.182138848675        17781509.0
497.260884422652        6067007.0
498.262564521523        1313133.0
499.260123008644        3692578.0
505.299757891437        5825602.0

NAME: C098
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 378.8
RETENTIONINDEX: 2408.641975
NUM PEAKS: 14
100.039301362165        6787840.0
114.091394521632        391776.0
153.10226517404         9828669.0
217.107416723633        692995967.0
240.091570998379        13789282.0
257.099686736348        62987142.0
284.179204089515        3200059.0
295.103222670946        49781248.0
338.287241374565        597080.0
343.204811133265        3797745.0
353.225479189584        11657300.0
367.302078655288        410538.0
625.310229677992        23043046.0
626.306379972348        26032505.0

NAME: C008
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 383.25
RETENTIONINDEX: 2436.111111
NUM PEAKS: 102
78.7781680742475        2556976.0
82.0287864194648        8611959.0
85.0104542195255        4745054.0
92.0495708428228        5241931.0
95.0491933558967        2316015.0
96.0078464060989        4720367.0
99.0260585452107        42333146.0
100.025652771381        2210104.0
100.029460129111        1981052.0
101.005418898448        6144105.0
101.02272083003         3343084.0
106.894747495922        3789804.0
108.892716700199        4700928.0
108.910416566696        4697413.0
110.908317235236        3641673.0
111.026121150586        7898189.0
113.034483087363        1496932.0
116.02876233702         10183471.0
119.015881013881        1977959.0
120.04434550515         4465533.0
125.034561908395        2616569.0
125.041780188163        5642602.0
126.036944910833        5772477.0
128.076372883456        5931740.0
136.941645253989        15500747.0
138.000329453771        4425123.0
138.939672935419        14601520.0
140.065140977456        18496952.0
142.044407303719        9098154.0
144.053483905356        7606120.0
145.067857890803        7879741.0
148.039287263976        7328850.0
153.036553916572        14858551.0
153.047854996355        18125030.0
156.059954180827        5934059.0
159.065697727649        7272776.0
167.06348032557         99885797.0
168.047501694808        12449580.0
168.068381413815        19985484.0
169.042872715042        111801595.0
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246.104381502147        46108369.0
247.099256838605        36816530.0
255.098049725945        44949432.0
256.106489502489        8942901.0
257.113614660022        348115589.0
258.111154671539        225329343.0
260.106019952582        13589581.0
271.092946448454        7106328.0
283.092863658205        12296168.0
286.116540700788        28928426.0
299.123756429973        23938922.0
311.123743598071        31911930.0
313.103545925114        15964826.0
314.112019059855        17126844.0
315.119168534318        139091990.0
316.121760954668        27755274.0
317.115671168554        8395068.0
323.124134194834        9863681.0
329.153271349021        8326999.0
337.102993453864        8384083.0
339.1186928632          11546547.0
348.159939085995        19818089.0
356.134585694723        9393398.0
357.165585898507        25573691.0
371.163524965519        21473801.0
386.150201697644        5663547.0
427.153325080958        3790746.0
437.149979973353        2944822.0
517.203234692442        22966974.0
518.205129851345        10282418.0
519.202327050065        5767781.0
535.215134330149        3167063.0

NAME: C077
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 384.44
RETENTIONINDEX: 2443.45679
NUM PEAKS: 20
71.2728199682766        690243.0
144.083825172977        22791648.0
145.085584868091        10775169.0
159.029118165495        19006750.0
186.09429708514         27683952.0
187.097819430438        5619470.0
191.045012850521        3572716.0
208.079707567392        6224957.0
213.068645037431        9480943.0
226.074659898296        4269377.0
238.089508684254        7087054.0
266.084220752262        7559404.0
267.081467889461        11399628.0
285.097047763353        83324362.0
287.094173167403        8817753.0
291.105301556444        3730503.0
301.121049139372        11440949.0
323.112730873395        3185471.0
346.152689497507        11304768.0
399.147566165417        8382476.0

NAME: C119
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 388.27
RETENTIONINDEX: 2467.098765
NUM PEAKS: 12
151.062738788112        405228.0
171.107264123472        16218350.0
223.113496538048        5700802.0
249.080184575449        1056399.0
274.112823212167        4451188.0
290.102562332628        18911225.0
423.183075478976        7354996.0
440.185446124691        7547658.0
473.218853386996        13228642.0
534.322613866403        641497.0
588.296361504491        1081745.0
589.298947021262        918536.0

NAME: C094
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 392.25
RETENTIONINDEX: 2491.666667
NUM PEAKS: 15
123.091713193396        9331796.0
136.112142611326        930399.0
150.091267807806        6505807.0
151.094630290507        820737.0
162.102604363036        2087069.0
177.102240919615        7756816.0
239.15722955249         3978435.0
253.136912578065        19168407.0
266.16820837627         6329752.0
267.152166862044        6873142.0
267.172051642536        1094792.0
356.2181315779          5169791.0
381.201989477535        4815440.0
477.190943977924        2057280.0
620.342154538934        516462.0

NAME: C093
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 402.16
RETENTIONINDEX: 2559.444444
NUM PEAKS: 15
181.09791584724         4671270.0
194.088513591907        8510205.0
237.105496793531        9185006.0
290.124018426868        18037423.0
297.14510163826         12415740.0
298.152749103304        19366264.0
351.165831337034        14527085.0
364.114799953348        6911806.0
371.297884660897        1333404.0
453.180586793223        3124927.0
514.25950041052         3862975.0
527.285566765862        5276925.0
528.287298605431        2691096.0
529.283089162769        1755358.0
593.335948669683        1585406.0

NAME: C124
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 406.62
RETENTIONINDEX: 2590.416667
NUM PEAKS: 11
146.034815129303        1642571.0
245.138408976401        7205285.0
263.160561566297        3236247.0
377.211044319754        5920463.0
485.225233365709        4529433.0
486.226116214397        2803451.0
487.221962439329        2868465.0
500.249086516537        1436498.0
548.301344284282        2131200.0
549.30212851384         6419731.0
563.324377050193        1788549.0

NAME: C083
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 410.03
RETENTIONINDEX: 2616.111111
NUM PEAKS: 18
97.0284758383059        9941295.0
123.044055598299        341206.0
123.055339765145        4016795.0
195.130997182583        6145558.0
215.128346348635        4171289.0
230.154884218055        16894142.0
260.121439764468        8109560.0
261.115917423013        27655957.0
274.112998320524        5652436.0
393.201342023945        2690919.0
407.200296255953        9451579.0
412.135590847225        4748443.0
454.237368579201        7588768.0
457.248140499488        3645203.0
475.188604575789        4858347.0
476.191094732576        1982326.0
502.277109628018        2271104.0
565.262660350661        14070734.0

NAME: C063
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 414.71
RETENTIONINDEX: 2653.253968
NUM PEAKS: 23
70.0651518792199        14286531.0
85.0886109820436        1589349.0
97.0841577295191        4052435.0
99.0916897453027        2302256.0
99.1043050566114        1431854.0
129.138658407123        3380955.0
139.122892868216        3512762.0
233.186511553532        7004608.0
236.032121024127        5476321.0
238.100624225751        10266528.0
259.183366866447        1714760.0
290.244150091492        3752930.0
302.244016475298        1751108.0
311.145904092699        9565768.0
316.260106436587        4992950.0
322.140207310706        7576712.0
322.194565513736        2651220.0
354.113329972186        1201190.0
414.134721715799        583952.0
475.349884234328        1296007.0
509.261571226483        4248609.0
524.28625674108         8927420.0
525.286704702442        4720664.0

NAME: C035
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 419.04
RETENTIONINDEX: 2687.619048
NUM PEAKS: 36
95.0603974165688        32407725.0
96.0682831727683        18886041.0
109.076038591831        7982766.0
188.128421865281        16057927.0
195.094898298977        19148777.0
199.126238521047        6978513.0
204.099626323395        456431665.0
205.098899425485        31710600.0
207.131269678805        1766648.0
208.102696883827        8646753.0
209.110448313553        15791517.0
219.094951156149        7933252.0
222.118247897013        9312287.0
224.121505558916        9523093.0
227.127097239983        9458739.0
233.110208428279        8712578.0
235.126196735619        11049396.0
243.122924475103        38841337.0
245.066317789903        31579845.0
262.137112258936        6121680.0
271.118026464116        33196335.0
323.184126924107        11429234.0
331.157780054126        26531872.0
361.168017007879        75479202.0
362.169988150521        20893295.0
363.164412931753        17536320.0
404.173578579216        14430179.0
448.200200932766        16691765.0
449.202614049514        12609750.0
526.301181556855        5373746.0
528.299310062466        5674753.0
606.30762070488         4480742.0
607.310524726956        5466162.0
621.33034309982         10593067.0
622.333291642746        5309767.0
623.329947150646        3299604.0

NAME: C047
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 422.18
RETENTIONINDEX: 2713.859649
NUM PEAKS: 28
84.0808191171686        103468958.0
88.0577475337021        8848518.0
98.0964571576452        16061374.0
99.0998078996579        2174349.0
100.00327941202         7260138.0
112.112091323483        16111434.0
118.104687668833        2169177.0
139.068634728094        7008898.0
155.107952200175        30701320.0
155.112350628434        8291470.0
183.13107483676         16644478.0
185.146721109425        3122275.0
197.146708574463        2805993.0
203.139197668849        3424101.0
215.140027552841        9165781.0
229.155358701312        22347634.0
244.178463814469        1523884.0
257.186632571696        16541112.0
258.189911048901        4297129.0
271.201952016643        4903824.0
273.217586753219        5116647.0
301.194683298178        5009860.0
372.267671753689        7130700.0
373.175782428382        9590811.0
374.181671825121        13597700.0
388.299098027846        1856218.0
547.389445054236        2088026.0
548.391059375424        1164631.0

NAME: C024
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 424.04
RETENTIONINDEX: 2730.175439
NUM PEAKS: 40
82.0651263569676        25308880.0
92.9923118680449        16012167.0
94.0651723611115        18262450.0
106.894778739843        8499083.0
108.892755028855        10025072.0
108.910464238813        10018665.0
110.042100519649        5719833.0
110.908368345928        10546721.0
113.065488251705        3653171.0
146.117107655767        32728599.0
154.068046860701        10256673.0
167.099734800349        27569474.0
174.10381124341         10875667.0
174.112715553449        1374226795.0
175.112210626881        186301499.0
176.109484907921        77341701.0
176.115627055979        11947090.0
183.14363558598         3122862.0
198.113272140702        5672910.0
202.14398863116         5224970.0
211.162373182354        3984101.0
226.113237521737        8140673.0
237.141986562463        8791332.0
239.157252324119        6947219.0
256.118482093067        12826496.0
269.1682924135          14348202.0
288.144510500905        47092313.0
289.147739066377        14621715.0
383.181393903392        36640225.0
384.184939233516        13794476.0
415.190604017868        5365814.0
416.191186535682        4499496.0
440.221484659875        8682110.0
444.228496623713        32384256.0
445.230540241054        13763485.0
482.218855944403        8976329.0
530.271895174229        23060424.0
531.272877641484        12909294.0
532.269866294195        6721522.0
545.295284438011        6399860.0

NAME: C022
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 424.58
RETENTIONINDEX: 2734.912281
NUM PEAKS: 43
81.0573376366625        3562488.0
94.9892845847694        3674630.0
104.052672604488        21418307.0
110.096434596163        9969661.0
114.073428499901        155475232.0
116.089026787899        1574885266.0
117.088575456065        70784735.0
118.085795569372        34843255.0
129.096900718872        103842083.0
130.096424956022        3537439.0
130.104732313687        128212693.0
131.104195171215        4285997.0
131.108106912226        5547407.0
141.096739267978        4815919.0
142.104767574255        509329028.0
143.108017488306        39968261.0
144.120327874097        2393485501.0
145.12173923044         77539295.0
146.123009722424        16238684.0
152.088973772447        5357544.0
154.104708801686        63215785.0
156.120247878266        418910163.0
160.097244503421        583186312.0
161.096687688088        73127265.0
162.094031165753        41078258.0
170.08258812398         13533638.0
172.0972937679          688687598.0
172.132676016457        3677741.0
173.097351471245        93145255.0
182.13592579777         10898812.0
186.112685146004        83531516.0
201.136154093747        101891375.0
202.135625702837        7645841.0
203.133082621727        6458697.0
269.186400344032        4397744.0
287.179115764836        8122367.0
299.233271021225        12118602.0
303.209981393679        17356689.0
329.225591576827        39029170.0
330.227101851677        22295674.0
331.221579609236        22559073.0
346.258691633891        7261684.0
347.253540501442        2643142.0

NAME: C097
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 426.36
RETENTIONINDEX: 2750.526316
NUM PEAKS: 14
73.2740508273641        660725.0
79.9256257432816        21946774.0
81.0447690745025        14486428.0
81.9236276834447        22655419.0
136.941717818643        60109846.0
138.93972685962         57371725.0
181.085626973342        13518254.0
275.13262227526         34015718.0
294.106720451328        9833144.0
326.134995342443        36837919.0
398.116187919217        8154356.0
467.195271127506        9187412.0
493.199529438422        6538332.0
494.203004520425        7092132.0

NAME: C076
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 428.31
RETENTIONINDEX: 2767.631579
NUM PEAKS: 20
78.9178391620748        27172696.0
149.023278806857        11290727.0
211.000595262424        25147857.0
227.032123848926        23161219.0
239.055295256251        6339160.0
270.110326645656        11649153.0
293.102658860494        24534157.0
308.125938697376        41338651.0
309.128619076009        9724743.0
373.090233719639        7444260.0
373.125005694078        6181514.0
399.328299248755        1785560.0
407.091832239789        1782062.0
429.152039224628        6968152.0
433.208165928489        8238778.0
434.209578326242        13520716.0
497.1425744092          3118350.0
534.220174488574        5121833.0
535.197662257465        6953222.0
536.199581454248        7086890.0

NAME: C030
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 429.44
RETENTIONINDEX: 2777.54386
NUM PEAKS: 37
78.7740531759659        645618.0
79.5357286288103        801248.0
81.0335514238126        13297955.0
115.292633558058        424452.0
225.016197747059        652487.0
230.078810032037        4830561.0
255.086554559247        10405199.0
315.102721812664        44899033.0
316.102389737487        8795064.0
317.081716363089        7692971.0
317.141985119681        6662863.0
318.082488852615        717401.0
319.078790440608        1439712.0
342.149036618437        10085625.0
343.15728471608         11595391.0
345.13655980155         8350972.0
371.129441802782        9740712.0
372.129827086617        2220080.0
385.108311678976        1210089.0
386.134294504807        3000813.0
391.117143776424        1641688.0
422.115869133579        1065019.0
423.123156299875        1273668.0
430.15356607848         5088240.0
445.147122221048        24141183.0
446.149390657122        10155114.0
447.142657769277        8046928.0
448.145703168269        630739.0
457.148443398341        594920.0
461.169944823223        2623695.0
461.178812403343        52320696.0
462.180517288488        18531358.0
463.176454840769        7765411.0
464.17694772706         3514790.0
533.219885049753        5925076.0
537.196467484454        1477548.0
616.232702617502        612011.0

NAME: C118
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 437.46
RETENTIONINDEX: 2853.529412
NUM PEAKS: 12
80.0620982868256        3762478.0
110.060092440169        5253700.0
213.115763347016        6675639.0
270.127057063631        11670519.0
298.129112627451        5063929.0
314.144014713542        15443451.0
330.155058551342        24985986.0
382.197118737522        5348940.0
471.262541764786        1453873.0
529.287433807079        3207396.0
538.251019319035        7355651.0
539.252681163123        8707385.0

NAME: C126
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 440.77
RETENTIONINDEX: 2885.980392
NUM PEAKS: 11
93.0573566868734        5056507.0
104.049548354249        7206660.0
109.064825570733        3171509.0
123.067874118864        4020502.0
131.076026122963        16987943.0
133.064578600476        6302737.0
133.076096985488        6728839.0
142.122590204459        873953.0
173.086740257926        26631231.0
173.119725268594        1608766.0
228.10734502194         6741313.0

NAME: C038
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 442.98
RETENTIONINDEX: 2907.222222
NUM PEAKS: 33
99.0804884227928        3200739.0
106.065225480003        8906112.0
117.07012981231         22591795.0
118.065215169466        8817869.0
128.062047037701        6952364.0
143.088680889014        22230277.0
148.075647089784        7462412.0
167.088723643923        7473684.0
169.104319112695        10907533.0
170.108122394932        1128824.0
185.095395837561        3577942.0
185.132380916644        3362634.0
193.104078598795        4431494.0
211.111807798743        8977996.0
211.148156111988        6752012.0
212.110165228441        6784988.0
226.089535059062        15185348.0
233.102515965042        7940032.0
255.122979031483        7906659.0
261.167212087518        1694859.0
273.167378839384        3167347.0
292.172909927809        2141806.0
351.217488143476        2845076.0
392.214532169021        2391046.0
393.227141019897        5900852.0
460.283095533751        1163129.0
481.262106443751        6423818.0
482.264034187953        2330060.0
484.280021734427        3011739.0
552.348366341111        2284701.0
566.351974463013        2747288.0
567.27727231121         4861778.0
568.279454709462        3420002.0

NAME: C080
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 444.54
RETENTIONINDEX: 2921.666667
NUM PEAKS: 19
97.064882695613         7759225.0
122.060022196702        6683662.0
132.088830886961        3942379.0
144.092724964245        8101446.0
146.104495993783        3472368.0
146.108998642598        5275581.0
157.100681828941        15466323.0
221.135677106848        6493484.0
247.24204361769         5684100.0
276.177865935715        11516082.0
277.161848392472        6359494.0
355.21145449642         1945523.0
366.203075648963        4259770.0
367.21156788675         4834371.0
386.251418409681        3937778.0
394.23045634644         2615090.0
477.303366918412        2936056.0
483.27763765454         1865978.0
640.383797316019        1425641.0

NAME: C136
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 450.95
RETENTIONINDEX: 2981.018519
NUM PEAKS: 10
195.029127744232        4137455.0
345.115830011408        4564610.0
382.974093754219        3025122.0
388.003172377034        4545808.0
418.105103772977        4644631.0
474.285607584816        4511747.0
475.288712499191        1535418.0
489.055548322874        5283209.0
498.22907463974         2737848.0
564.336998356233        2462236.0

NAME: C117
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 453.27
RETENTIONINDEX: 3002.647059
NUM PEAKS: 12
160.112030418585        1691561.0
226.15892382693         1157880.0
271.027313534797        2359003.0
288.177752798207        1480860.0
289.161669617091        9649483.0
325.020625386455        4591010.0
336.199147768264        2324666.0
346.219163891658        4012605.0
521.057626421782        4896074.0
565.339246900235        2425322.0
567.354899719179        2145809.0
568.351508390526        1214396.0

NAME: C125
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 455.05
RETENTIONINDEX: 3020.098039
NUM PEAKS: 11
306.188590632596        4955367.0
307.191832235754        659769.0
308.204377663171        840545.0
345.04614255835         6228831.0
371.297931031692        6038562.0
378.227557177333        4391519.0
379.230376184242        823447.0
380.243191751243        1586014.0
385.313310945703        427304.0
610.132186594456        4261169.0
611.339308909797        1250854.0

NAME: C112
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 462.15
RETENTIONINDEX: 3089.705882
NUM PEAKS: 12
127.086615974338        1957601.0
134.096394685042        5925608.0
140.106989546714        5609300.0
321.198876500928        1169580.0
328.03532937693         56080642.0
488.213781434083        6162748.0
525.292961384581        4334251.0
526.296041167189        1715835.0
640.340180111207        1576630.0
641.341574856637        754430.0
655.364013902467        1617432.0
656.364838667487        794847.0

NAME: C026
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 466.68
RETENTIONINDEX: 3130.526316
NUM PEAKS: 38
136.039304645197        22701241.0
139.038996520846        745717.0
159.047273175015        8890554.0
162.054978603596        570773.0
167.033840626288        6408534.0
187.078483525238        4990846.0
192.066380296325        8265523.0
196.060509740673        12112124.0
208.060638207996        5353250.0
227.073605801185        7713301.0
234.074893224332        14841417.0
235.07936789149         937541.0
259.141764658932        22735857.0
270.115652387086        17104463.0
298.110609077946        33064195.0
299.113567689431        8775380.0
300.144316983652        34040196.0
310.11043214709         4131584.0
324.12633578117         15927030.0
358.149702869035        13042085.0
376.161028159043        7153436.0
414.176139400716        9074555.0
415.178595464901        6276356.0
443.184966351151        1475104.0
478.210856498545        18468268.0
502.419688454427        603309.0
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504.22591790075         14337099.0
505.229611771036        9594940.0
506.224401680961        4137829.0
552.266802257116        6209498.0
578.247193943156        1696639.0
579.248662341027        926190.0
594.27700383899         4948544.0
595.281245956406        5439786.0
608.312095522762        2270125.0
627.308707841513        2019744.0
684.329277730748        2352283.0

NAME: C005
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 470.86
RETENTIONINDEX: 3167.192982
NUM PEAKS: 131
71.0855421479009        5231278.0
77.0385664511503        17152253.0
82.0732634362063        9054909.0
82.3283746811685        1196631.0
88.3283941477269        1028014.0
91.0542569755102        85402696.0
92.057636778598         7355697.0
92.08419302531          1132732.0
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108.08883876221         4337453.0
108.09331080561         5382482.0
110.104557499963        3684338.0
120.088927025685        5840462.0
120.093363991862        18136057.0
121.09700673659         1481503.0
122.104467455438        6342814.0
122.109007817844        5501422.0
129.072703863173        165347599.0
130.072766970682        8011610.0
130.076487415793        7214640.0
132.093332978219        9521817.0
134.104632630405        4460893.0
136.120209954776        3822389.0
136.124634436885        1961464.0
137.132483969006        11512690.0
138.135748313291        1167964.0
146.104336778046        9451302.0
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148.124535089325        8543753.0
149.13252530075         23335319.0
150.135578678231        3366619.0
151.147979664568        6653472.0
157.10102000482         20469233.0
159.116757656893        51375551.0
160.124577046282        25802247.0
161.132408952607        30671465.0
162.135832350855        5512666.0
162.140260203304        5791727.0
163.147965907767        29954453.0
164.151233259397        5771386.0
165.163369242261        5318399.0
169.104410526453        8062623.0
171.116827012348        18246416.0
173.132450599756        25484464.0
174.138185081777        9689089.0
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234.229302168729        3671518.0
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256.213852907184        11854021.0
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275.273489793873        9588486.0
276.276406531617        1902902.0
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302.291964727734        2839173.0
313.288908703295        4682652.0
325.288562601968        3791998.0
326.296976016767        10070070.0
328.312060049446        31304469.0
329.320206601031        103557452.0
330.323340895114        33413403.0
331.326525286967        4234508.0
339.3045672974          13077766.0
340.312371786765        8034300.0
341.315200175342        2483611.0
342.327498389436        2394411.0
346.263737151805        1026815.0
354.32383876836         21123999.0
367.335904659768        5021631.0
368.34317293615         92837071.0
369.347017588821        32248471.0
370.350561179242        4967588.0
425.359787963844        1281367.0
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443.370317749092        18463087.0
444.37413582235         6464131.0
458.394395914106        33036024.0
459.396960465854        12742119.0
460.400687283673        1861667.0

NAME: C013
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 471.03
RETENTIONINDEX: 3168.684211
NUM PEAKS: 55
78.0419730877832        2368518.0
78.0464517452347        27659608.0
80.0575686138474        4852405.0
80.0620726266786        4335717.0
82.077723849543         3241627.0
84.0889032082991        2934749.0
85.1012327448111        8558262.0
92.0621020014837        11793478.0
96.0889143149327        18526121.0
98.1045714716139        4956771.0
112.120196247652        2328365.0
118.073209605885        6628830.0
124.120146441277        10267058.0
125.132492269073        14066785.0
127.057380136281        12437446.0
130.080821990819        8893887.0
134.108970068474        12657216.0
139.148071045442        3719823.0
141.070083319782        9973131.0
144.093492865764        5476298.0
148.120067269518        10514748.0
151.057275342057        8171723.0
155.087332200892        36078426.0
156.092934927972        5701562.0
160.039216264642        6051499.0
168.096079823693        12854502.0
170.108456088609        2102886.0
172.120083708266        5486472.0
172.124571647352        4753634.0
194.197954365635        1845731.0
207.101729466849        212452545.0
209.135564514886        2376859.0
222.094125600635        10427549.0
228.187305885476        10580455.0
235.151268874707        6223489.0
242.19810450196         1584414.0
257.217653559754        1323921.0
264.10498266712         7730254.0
286.129147867981        12690420.0
297.257846347009        7339027.0
300.280767325326        2056178.0
303.213698613085        7998748.0
311.273627575072        8091654.0
312.277993856253        1416664.0
313.053036971607        25723968.0
314.296557915216        11593408.0
345.260912454812        10465506.0
353.320009154806        61523306.0
355.326724319955        3463336.0
357.136488012862        9980274.0
416.346688843113        1895680.0
430.361629333123        1348470.0
457.382680900654        882862.0
624.30876303981         31553514.0
626.306607666438        7713203.0

NAME: C034
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 472.04
RETENTIONINDEX: 3177.54386
NUM PEAKS: 36
79.054276509157         50410573.0
79.9256271001622        36323371.0
81.0699028490817        65792852.0
81.9236143390691        35303738.0
83.0855197742773        18108705.0
93.0699125441727        55534987.0
94.0777641868923        7428152.0
95.0491703642809        3995554.0
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97.1012304653706        14710484.0
105.069966409147        82496797.0
106.073243719929        8197837.0
106.077731236607        8811881.0
109.101180470828        48620387.0
111.116884954921        13068754.0
115.054173067603        18587691.0
117.069989480068        42990806.0
118.077691617587        9087869.0
119.085572568403        74987843.0
123.11679448774         26328027.0
128.061976196738        11577519.0
131.085646471898        48783281.0
133.1012370695          52201958.0
135.116884989063        43702141.0
143.085500237204        39176611.0
145.101085467268        86974867.0
147.116848701127        45103339.0
154.078965344867        10956674.0
158.107366995179        10730788.0
166.072565291926        4763479.0
181.103947567113        6771507.0
257.226481917835        3067305.0
271.24217886118         1666197.0
327.30434938533         8322688.0
445.38549209862         886812.0
456.378147711695        1982267.0

NAME: C046
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 473.25
RETENTIONINDEX: 3188.157895
NUM PEAKS: 28
169.091814824045        15401811.0
181.055328401712        7488355.0
181.067404235639        10688882.0
224.0738886392          10720860.0
243.122997622351        82545248.0
250.089657359438        11357700.0
254.084524085365        19125123.0
255.087579796205        6979457.0
270.134154286255        10720655.0
292.1001454618          9510818.0
317.141993943707        6884769.0
323.112474020727        5931066.0
340.139652175563        6005615.0
356.134491294237        22977941.0
382.15043389183         23731272.0
402.194149068429        11077599.0
472.200233326038        12359994.0
473.201914910151        8470607.0
562.252270006814        19690025.0
563.252100037042        8694890.0
609.314457944314        1306961.0
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636.271611633537        2746784.0
637.272297794106        1540253.0
652.303888309006        6730465.0
653.306439891693        3895432.0
654.302726532633        876671.0
666.319802928903        1899563.0

NAME: C055
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 473.82
RETENTIONINDEX: 3193.157895
NUM PEAKS: 24
92.9922978499412        6512163.0
94.0413515845974        46654542.0
94.9892778931165        2712944.0
109.028434824661        7909654.0
156.058891215086        6419551.0
166.097410126541        3793578.0
192.112944769181        6120142.0
211.148234033114        5457045.0
222.08296718132         27025996.0
239.179381545031        4075285.0
253.193936151081        4727444.0
261.097408384588        10454847.0
297.098981157052        3951173.0
312.144698418701        15636203.0
327.035264329923        197898172.0
343.014408028952        36935090.0
352.139740913443        12236851.0
430.189543517952        4513477.0
434.184697434524        9576420.0
441.355201665357        1155565.0
446.184986515785        8525542.0
549.162756678039        83551924.0
563.14423712427         39357053.0
565.251785826221        8348488.0

NAME: C071
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 473.86
RETENTIONINDEX: 3193.508772
NUM PEAKS: 20
139.056559045786        11826127.0
144.053484575745        8030640.0
144.083838926385        64503030.0
150.05477734813         9444634.0
172.07870441951         7383525.0
196.078869701584        19477138.0
208.078887946359        5638224.0
225.057471039832        7650479.0
241.107687150011        11119566.0
254.102834179069        6494174.0
284.149868766456        8987732.0
298.129062422931        6674891.0
328.139645903367        20385680.0
383.152718418744        12876923.0
397.131469373791        1134861.0
403.196477437334        9888976.0
416.173485345877        9096577.0
536.234520792341        5463891.0
564.250112722296        9357882.0
667.322108710153        1172389.0

NAME: C036
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 475.39
RETENTIONINDEX: 3206.269841
NUM PEAKS: 35
107.085516154551        9483947.0
121.101152855244        10618347.0
145.085572412304        8259660.0
179.05223246647         6363569.0
197.086498039355        17329105.0
230.078829355435        6684386.0
251.037265753883        34549444.0
254.198163028426        7344596.0
267.210625620691        772644.0
269.168361439502        5940302.0
271.118092199178        63188229.0
281.226188330672        1420828.0
282.234387687099        1523339.0
326.965485885604        32638471.0
329.141579694069        7241551.0
338.123672322283        2935042.0
341.017166438337        179645236.0
343.244425613751        3330598.0
344.247836580119        12333391.0
351.304108530897        3416820.0
352.307926065663        1042419.0
366.32751353275         1426870.0
372.284344328841        936678.0
385.023014471137        16619837.0
387.002440614842        40889160.0
387.071811234133        47441240.0
399.075385167548        11818432.0
399.32843302461         2121975.0
401.053626852815        143645547.0
417.103726002997        29001031.0
461.090278099879        64865175.0
491.122509223354        28003209.0
535.109167132583        30457185.0
623.183374016273        39315704.0
639.37155606433         1716606.0

NAME: C027
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 553.98
RETENTIONINDEX: 3689.428571
NUM PEAKS: 38
77.8176745906921        1105498.0
78.0684636990198        96306.0
82.0732795848055        9728206.0
83.0855186685394        3813751.0
84.0570203051836        24187326.0
96.0889137639502        13565062.0
110.104528290505        4331643.0
125.132499434281        9242936.0
137.132564763949        12643663.0
151.148014765965        272037.0
165.163722354008        6773696.0
221.225726286574        177335.0
239.094687744633        26374355.0
241.091546207015        2365852.0
252.267876882654        725613.0
264.267689650579        609854.0
279.071777922903        14927474.0
280.263490027391        3433705.0
281.26667063529         618451.0
283.245428279181        11477561.0
295.103228182222        8954116.0
309.260963609748        3057013.0
310.263897463589        2019257.0
311.254766620926        552885.0
311.276719257874        66644267.0
311.297431981013        382907.0
312.280109979739        15093727.0
313.273076732248        5643033.0
313.282260329117        7566843.0
314.276738618869        3451603.0
338.287235073685        2209958.0
339.29029588596         4425253.0
352.302761596925        3169411.0
380.297965788857        180319.0
408.329164396672        436036.0
503.107984232703        8240469.0
576.519464198185        921322.0
577.52028426797         362736.0

NAME: C067
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 684.51
RETENTIONINDEX: 4124.732143
NUM PEAKS: 21
81.0335203850296        1460702.0
93.033536871228         2284617.0
93.9412966700854        2338916.0
94.9314184392123        2260234.0
95.0447098200815        2480617.0
95.9392715610367        2284886.0
106.949079738401        1553793.0
108.947125146923        1720800.0
121.0649159937          3374518.0
122.962717773824        2670906.0
163.038961863126        1327490.0
181.064459398523        1622822.0
198.975569379888        1475051.0
200.973172007118        1464828.0
222.082872752546        6963479.0
223.081161600819        4844790.0
239.094727098375        16665580.0
240.093990177114        1919568.0
249.862570522753        1503955.0
253.858455061308        1500931.0
278.883962160433        1874928.0

NAME: C120
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 685.09
RETENTIONINDEX: 4126.458333
NUM PEAKS: 11
75.0229692071453        2301993.0
93.0698779063908        1663778.0
103.054293606216        15510427.0
105.03356058112         2066627.0
107.049209583129        2707336.0
117.070003671357        12306337.0
131.085664276014        3224819.0
151.057109467382        1307911.0
152.061836547775        1997804.0
165.069686482543        3244386.0
167.085333294048        2425647.0

NAME: C111
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 686.08
RETENTIONINDEX: 4129.404762
NUM PEAKS: 12
74.0150902037221        2372182.0
104.025649684714        4604862.0
106.041333481647        2081202.0
118.94907868238         1720480.0
120.947014116342        1853520.0
121.101146087125        2482878.0
128.002386736237        1919409.0
132.056801528299        3996546.0
136.088272058005        1945447.0
167.033925111284        1881261.0
175.039293955064        16605057.0
384.95306345004         1393493.0

NAME: C068
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 686.11
RETENTIONINDEX: 4129.494048
NUM PEAKS: 21
92.9335116983518        1882828.0
98.0362667219865        3093224.0
104.062092290839        35409215.0
107.085523385974        2557653.0
108.05698823422         1567574.0
109.028423948016        2007820.0
116.062394691874        4440958.0
120.057066344741        2651812.0
120.964743558884        2061627.0
120.977103732506        5789497.0
126.046412360448        1515452.0
139.054661751527        2909359.0
154.077930855696        4129252.0
162.969598708398        15733275.0
178.077639167684        2811466.0
200.873003176676        1805452.0
241.091548794114        4285833.0
279.07176813553         11296950.0
357.066408431597        18015931.0
371.118984650926        2329755.0
373.020013834348        1334420.0

NAME: C089
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 686.47
RETENTIONINDEX: 4130.565476
NUM PEAKS: 15
73.0284065910991        1553911.0
91.0542491634563        39834962.0
99.0440512877521        1974452.0
114.067538309222        1780826.0
119.032003268802        3136670.0
179.964012974766        2047087.0
192.000472916517        8505154.0
192.980160208434        26226012.0
212.082902399792        1176924.0
212.987529653552        3976613.0
223.096869312418        3614266.0
228.038858506245        2980012.0
268.978451068759        12366946.0
268.995660065308        11620445.0
504.108037677207        1628450.0

NAME: C028
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 686.64
RETENTIONINDEX: 4131.071429
NUM PEAKS: 37
77.0385523178361        7668362.0
78.0464678776025        17319313.0
79.0542606689319        2904348.0
88.9510113857997        2439712.0
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92.057660976223         2879321.0
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102.04646725429         3400914.0
105.069957582721        5675971.0
115.054182654207        9716653.0
118.077720405861        5394116.0
128.061981218478        4093835.0
137.008549033237        5914490.0
138.987684351396        2553780.0
141.069849381195        2749159.0
153.003209528696        5025385.0
153.069742444283        2210223.0
155.085611606336        1761830.0
161.077981144155        2605379.0
169.034685505322        4162150.0
185.092175287606        1912104.0
192.008016238982        1261671.0
193.016675702985        7164164.0
194.99573281518         18486379.0
196.975032053094        14363577.0
208.101122598463        2611232.0
208.105724404211        4517486.0
209.081187187617        10329646.0
225.042800158645        335927310.0
225.075711292344        4851132.0
227.022154115241        61980398.0
229.001495256691        15378341.0
254.999091183823        2546060.0
283.030754349748        30753432.0
285.027184878933        4699884.0
359.167478739011        3613836.0
429.088685133481        14549168.0

NAME: C045
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 687.16
RETENTIONINDEX: 4132.619048
NUM PEAKS: 28
105.999073433196        1775283.0
160.953991092503        1226737.0
177.984755523284        1479527.0
180.00042964013         1385258.0
180.943758608915        2947399.0
180.961381219577        1317069.0
195.995454001979        3008113.0
196.992752093539        2120075.0
197.974508055988        2732236.0
198.95441899853         1451189.0
212.970014961884        2160212.0
213.006147303489        2386663.0
214.98560992714         3498027.0
220.957069324217        1204344.0
222.936453968368        1331807.0
229.019119616188        6915685.0
230.00074243328         2982993.0
236.98832473252         1185682.0
240.946899738586        2559944.0
253.982966844011        1811236.0
269.977845781938        2553313.0
270.975426915952        1846637.0
270.993770069105        3843846.0
297.079403794841        2265634.0
298.934550867121        1902191.0
328.980928284848        2078425.0
330.960641905517        2496978.0
372.953096157169        1698848.0

NAME: C059
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 687.19
RETENTIONINDEX: 4132.708333
NUM PEAKS: 23
80.0620765354967        1367388.0
136.065044831382        2383108.0
165.018522207578        1490579.0
177.054850582306        1715492.0
197.0447348755          2257945.0
247.009386724864        1552302.0
254.016874895688        1680817.0
255.065676926338        1971410.0
269.065487974181        2117450.0
309.025048240716        1629353.0
314.054793002073        1453078.0
325.020655205337        2109865.0
386.023578798336        1586400.0
388.999407801019        1970353.0
402.125119059459        1757033.0
418.104755720276        1979130.0
429.15842393457         2365155.0
432.085818745259        1605699.0
447.038666154564        1675692.0
492.123604610037        2835309.0
521.057525769865        1895316.0
537.108203290775        2083922.0
639.163320546658        1667646.0

NAME: C054
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 687.37
RETENTIONINDEX: 4133.244048
NUM PEAKS: 24
88.987346245026         1186166.0
105.065429760759        3295402.0
135.062506582903        9834654.0
176.985221859239        10892050.0
191.00079976571         20303795.0
193.049676903945        31852285.0
207.032249954825        118784503.0
207.101729599246        31783475.0
211.060284722898        40766117.0
223.063767336705        22150396.0
225.05913049841         3018417.0
234.972703586346        1989866.0
266.999139053353        60229857.0
267.998244494498        14358288.0
324.986289945575        15633032.0
326.965482601009        6628731.0
327.105042463348        20521100.0
341.017202899166        38106486.0
342.017560119586        9402585.0
355.069651378091        43963691.0
356.069656449758        14891739.0
359.027869249217        19947604.0
400.984556846997        4570748.0
415.036378614299        8092242.0

NAME: C018
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 687.52
RETENTIONINDEX: 4133.690476
NUM PEAKS: 50
74.7638980336922        1315359.0
92.0621253034594        11206795.0
96.0041781292944        2402236.0
96.9938357952532        2816247.0
142.949133200664        1632731.0
146.07253965804         5600562.0
146.938422598673        3339085.0
147.080066384351        3363357.0
156.093186007163        2830628.0
164.949030139958        6260392.0
178.964482148007        15193545.0
193.979588455388        3340202.0
194.977060323591        1971786.0
203.000954298774        1743787.0
209.011554808631        115823584.0
209.029113642814        19239207.0
210.01053536351         13525043.0
210.02856105016         2845220.0
210.990970491228        26624333.0
211.00836812627         11453500.0
211.990172506941        3030372.0
223.027138632897        5388498.0
226.041539764125        55568400.0
227.039590062704        30315831.0
228.021238834046        8540695.0
236.952057886642        1637840.0
238.967668016334        4121826.0
239.004151623349        3285037.0
254.962852894029        7306850.0
265.020169474237        42733124.0
266.019164029332        8639027.0
269.014505230573        2878028.0
281.051364215883        177490258.0
282.049803555434        38689430.0
284.029739945336        7339074.0
285.009414657485        21693770.0
286.009062250596        5316029.0
287.006757898035        4613451.0
312.950339368404        2870255.0
312.986211377174        2448284.0
313.019993142226        1479514.0
326.982724315442        4863722.0
344.975776862771        10267994.0
345.976092174038        3016933.0
346.046486912175        1754291.0
346.973191534072        1590963.0
382.97408022551         1514772.0
386.969422084375        2096957.0
402.964369782575        1172149.0
493.152823320977        2513229.0

NAME: C012
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 687.83
RETENTIONINDEX: 4134.613095
NUM PEAKS: 57
78.0419846383593        1742200.0
79.0497716096318        1893817.0
85.0284186196566        2191757.0
121.046741626167        6162741.0
142.078087888737        3381352.0
192.997735629267        9539743.0
195.029110650825        3772846.0
205.016711322548        5926636.0
207.066696618797        3714385.0
209.098935410027        6173585.0
213.05754958053         13341991.0
219.06802937228         2601724.0
253.016653119059        43935840.0
269.047850642358        4644691.0
271.027137265637        6759639.0
281.085992168442        2140320.0
284.047997947258        8403825.0
311.073606748707        3371803.0
313.113777264345        2391990.0
325.985953604199        8513850.0
327.03525664153         49155384.0
328.035343658           13109000.0
329.014530869431        3595462.0
331.063707530223        2063612.0
343.084122931946        3769846.0
345.046169172075        8812838.0
353.090427317747        2832675.0
359.09769204202         9873384.0
360.028136457829        10686927.0
360.169639740951        3818378.0
371.040514349465        1472266.0
387.002413998209        12940469.0
387.071825807939        15096984.0
389.068871345424        1810336.0
402.055174276849        12479459.0
404.05195192305         1405422.0
458.971973456131        1214840.0
459.041861218696        1286084.0
460.952039584771        4371596.0
461.021207128847        2869881.0
461.090256355859        17842323.0
461.951796665319        1222018.0
462.091555156095        6970195.0
463.088708091285        2556050.0
475.072310244956        13564752.0
476.003821454759        1471505.0
476.143434019655        13026182.0
477.140480798609        4944561.0
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479.101672410454        3603024.0
490.12632015072         18188437.0
491.122346777972        10290558.0
549.162553092955        24746614.0
563.144239233773        12735845.0
624.183209223215        7134906.0
637.164550513183        3866368.0
698.205944560218        1919968.0

NAME: C065
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 687.85
RETENTIONINDEX: 4134.672619
NUM PEAKS: 22
149.078050198602        13785551.0
179.001079202526        15895715.0
191.037450977787        6425748.0
208.031533225641        50206470.0
209.047732156056        2402702.0
224.063049376575        5028073.0
237.079282533047        3254126.0
249.987809880519        7068049.0
250.967699771612        4666725.0
250.985590439413        4155732.0
251.00396611366         4712547.0
252.983678728064        24136227.0
267.016209949758        5864415.0
283.063228005498        1245664.0
285.04434812945         5580645.0
285.079068565003        8168809.0
323.006809434282        4228442.0
342.088126205946        12649128.0
343.014343300482        13057700.0
343.066328014548        11668807.0
344.014693258176        2143320.0
400.005631091464        1275209.0

NAME: C020
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 687.99
RETENTIONINDEX: 4135.089286
NUM PEAKS: 43
109.052235628516        1922885.0
111.044058476785        1730416.0
133.064909307365        1579533.0
137.041722086745        2474039.0
194.053642118165        5252308.0
212.061782732582        10437319.0
267.034768010352        4429084.0
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268.069192256745        2367920.0
310.970568727813        3126083.0
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325.055731606087        7634729.0
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328.962716535303        2722019.0
339.03821058645         6627839.0
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342.996634492902        3939816.0
345.115297423962        3938049.0
358.067243216398        3526875.0
361.025211906011        6516476.0
388.003000430725        3422825.0
388.073272089579        4224454.0
399.005054559559        4141766.0
401.984326631505        5585170.0
402.98179623463         3562508.0
416.036473280551        7221552.0
417.033665098569        4129234.0
417.087073648909        1945166.0
418.994970709551        2648178.0
430.088321970134        10765018.0
431.085366629672        6887942.0
473.09370665615         2502410.0
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475.14184210128         30625723.0
477.070907310139        2271450.0
489.055479984185        1973511.0
503.107930410573        2407435.0
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552.160354111203        1673065.0
565.143723544965        3485979.0
610.132183060405        1997085.0
625.181479977537        3872339.0
697.202597429349        2820429.0

NAME: C019
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 688.11
RETENTIONINDEX: 4135.446429
NUM PEAKS: 45
70.261357375322         1769331.0
82.0777101637279        1721684.0
92.0256956423549        1063403.0
104.057597689888        2564581.0
106.07773010104         1697865.0
118.073139793174        3070732.0
135.080430341161        1465718.0
144.946939559008        1208427.0
145.046705119092        2856482.0
164.985419247789        16217649.0
179.033979756352        10865004.0
180.980322946522        4830502.0
191.070496682473        3188459.0
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194.04893073403         5942766.0
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211.026857856803        2083491.0
213.039588698474        3950087.0
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248.988380501455        23053112.0
251.037178293           10860752.0
265.054817014529        3722747.0
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283.099929585291        13668779.0
313.053040045895        8388200.0
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341.157248840923        18181095.0
385.022947628725        6484159.0
399.075287615392        4270821.0
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403.051400482668        5874830.0
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417.104122333661        8837789.0
476.073864807294        4515967.0
489.124198650628        43332063.0
535.10922525834         9870959.0
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609.130287444605        3608658.0
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638.166995588673        2404616.0