view test-data/similarity/fill2.msp @ 0:e5010b19d64d draft

planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e

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
192.078428243192        3993484.0
194.04893073403         5942766.0
195.046783458568        4544081.0
211.026857856803        2083491.0
213.039588698474        3950087.0
213.998834302427        1664182.0
248.988380501455        23053112.0
251.037178293           10860752.0
265.054817014529        3722747.0
265.089588392487        3283162.0
283.099929585291        13668779.0
313.053040045895        8388200.0
329.031653006854        6682061.0
341.157248840923        18181095.0
385.022947628725        6484159.0
399.075287615392        4270821.0
401.053681557414        30562249.0
401.124275228471        4559258.0
403.051400482668        5874830.0
415.106669687654        54985895.0
416.107049345269        18386437.0
417.104122333661        8837789.0
476.073864807294        4515967.0
489.124198650628        43332063.0
535.10922525834         9870959.0
536.110887614382        4207959.0
550.163296442538        12203065.0
551.161445828019        6205283.0
564.146181690587        6031009.0
609.130287444605        3608658.0
623.183150220198        13681871.0
638.166995588673        2404616.0

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
170.045964437299        9501453.0
170.069851541155        17765150.0
171.039411915043        2980892.0
171.04718236227         9542984.0
177.039637442155        5983921.0
181.042632909891        3502669.0
183.058412555312        14609802.0
184.090614336983        12693765.0
185.073952424469        56878550.0
187.05314814224         24897096.0
187.070922888834        7169841.0
196.065548645302        32801154.0
201.076259513554        6881178.0
202.082996186392        9963473.0
203.091832141757        11700196.0
209.037561708176        19568054.0
215.091944217113        45540404.0
222.057912826487        2321839.0
224.061333736415        316557240.0
225.065854975194        19218426.0
226.057739905584        15581615.0
236.073581688389        2890476.0
241.084284214072        266918712.0
242.082852727802        22182180.0
242.113808861118        31247515.0
243.086918863664        418906552.0
244.087879713351        32875754.0
245.083884694317        34083070.0
245.102418520421        496282494.0
246.086942052118        3927488.0
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: 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
99.0260406168298        118701269.0
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
142.104641843961        441884594.0
143.015834635052        48987316.0
143.052340331432        420396997.0
143.10428859825         31762860.0
143.107947705172        44080773.0
145.049469553608        40966670.0
147.065597668017        3426705457.0
148.066687703799        456715218.0
149.044686744287        2485055493.0
149.051982158561        15135407.0
149.062214633403        244773900.0
149.068434618167        23246006.0
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
159.112043200462        43124161.0
163.096936467212        259054581.0
164.096242459652        39496478.0
165.093540352647        75534890.0
167.05522365918         82592725.0
168.054993436637        9530750.0
169.031329681702        63326558.0
171.010634911705        74220303.0
173.044685418755        35853332.0
177.039641177724        20626924.0
183.047097257536        4559958550.0
183.057249262756        17431309.0
184.046358120662        106511561.0
184.050443416           414898624.0
185.026407772471        30996555.0
185.043991660752        154888217.0
185.050867499577        29446895.0
185.062853536402        75038250.0
186.047199218887        20807119.0
191.037148572664        28320845.0
191.05526102196         16327982.0
195.094677873356        7614346.0
197.059793589486        8688331.0
201.039634295494        20060252.0
201.057764327742        27419375.0
211.041705745044        1447339674.0
212.041045979022        25597653.0
212.046025666707        122581545.0
213.021020474351        91489413.0
213.0391072084          57195084.0
214.144261002848        35457490.0
215.05549778228         201625005.0
215.091952078065        46374386.0
216.055525333011        17909976.0
217.03448664281         74746711.0
217.052170715974        20626232.0
218.071997852185        19993432.0
219.067881752754        18067688.0
222.082854522646        135778814.0
223.081182745765        99300044.0
223.08893130958         16433468.0
229.071095584099        18581195.0
232.085631037087        26441905.0
233.083493178908        22919204.0
237.114642446406        27809453.0
239.094719461519        123875816.0
240.093989220693        10465340.0
241.091358474241        15998965.0
243.050410724226        30433441.0
244.094291460025        51273034.0
245.029458131547        23650783.0
245.102463054765        410722160.0
246.103646000958        29809430.0
254.113905808742        22337484.0
257.066031671279        2765507323.0
258.06825165759         197732377.0
259.045756297035        43018820.0
259.063114651546        129205654.0
259.070275285318        18682083.0
259.081366811747        116924177.0
259.141876089913        14942245.0
260.066192507073        34929695.0
271.082012120742        19885715.0
271.984081051135        9431717.0
272.089691979189        22169503.0
273.079719357873        78308182.0
273.097313808265        16543374969.0
273.118950007375        92869850.0
274.099806030141        2287536735.0
274.217141933613        13039644.0
275.076294945676        7983986.0
275.094216227449        981222446.0
275.102436109944        129418610.0
276.099267515345        122244937.0
277.090215982851        33999808.0
285.061379459212        303738160.0
286.062906536822        68620774.0
287.040073409788        51679456.0
291.090077299697        14024565.0
301.092508128805        68301704.0
303.125948109573        351901308.0
304.126475755685        52106541.0
305.105961546843        74641578.0
305.141578526376        704639078.0
306.106418430419        10669352.0
306.142348989784        108317196.0
307.137660131412        71896338.0
319.121110115292        121722887.0
320.121965587385        18034460.0
331.085397367351        45683149.0
331.120777785729        82200798.0
333.100808283225        57324043.0
334.101214968996        15734107.0
345.136450879654        36564648.0
347.116266654718        1786077575.0
348.117170455813        502372522.0
349.111470583401        192929894.0
350.114867228446        38403869.0
363.147239489188        501421400.0
364.14867021705         132299410.0
365.143392649651        42979349.0
373.13035299357         19528621.0
375.111094687722        568049382.0
376.111995370639        271597888.0
377.106990479324        108165315.0
378.108779821015        22975281.0
420.247671297531        27440183.0
421.171688653814        10506179.0
437.166396736386        13112392.0
465.161043379028        95478801.0
466.161597834963        34006381.0
467.158862655379        15850483.0

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
77.0318554097471        3598305.0
77.0356123879505        802203.0
78.0292364748547        1630024.0
78.0968370928729        805407.0
78.126403291789         3508136.0
88.0656518070162        3106235.0
89.1201327533686        992913.0
90.0931616108975        1791039.0
90.1264570206002        4857057.0
92.1071978257648        1045033.0
94.1545338523452        1447377.0
102.12638819522         975325.0
104.093832270658        1123315.0
106.121149318186        1509883.0
106.154615341325        4796750.0
107.129167494293        13689262.0
108.055341626043        819902.0
108.135284721264        2737937.0
110.182750747843        1218393.0
118.154533734757        2252994.0
120.048795134363        3118905.0
120.05545372843         56476390.0
121.054939976441        2509121.0
121.058853766603        2346478.0
121.143231934286        1530140.0
122.05225135748         2219120.0
122.149384569157        5315545.0
122.182667284706        1784125.0
132.054968772294        50763489.0
134.182677176262        1063888.0
136.084083848357        13966342.0
137.059767795561        3523393.0
137.086878523654        1417796.0
138.065827841144        3737295.0
138.177598969977        8467784.0
148.083736037499        5722935.0
149.092952214733        5539138.0
164.111658794654        4781676.0
165.121264645112        1118782.0
180.139897761474        1839367.0
186.261753445419        1688923.0
195.161718039649        597703.0
196.16779925966         5153378.0
212.196331609314        1044901.0
213.205413147112        4823461.0
214.178492134033        872909.0
226.089494356547        3428859.0
229.234200053831        1071342.0
244.252742066233        899323.0
259.274769771321        597513.0
260.281072617886        2767658.0
261.290643863973        1208492.0
268.404490305895        1198600.0
276.312141526377        951628.0
277.318313142441        3816700.0
293.346593882399        726925.0
309.375250457867        899895.0
310.381078919844        4659988.0
311.387345297053        24286684.0
312.394070075839        77119451.0
313.396963036504        15398452.0
314.390552944335        3065575.0
314.399778898154        1276942.0
326.410558591205        1457581.0
327.385217336887        700689.0
327.416815902898        1481974.0
328.391885626277        2521764.0
329.397982197985        13276722.0
330.403963356557        41962736.0
331.407288294656        8294118.0
332.4002214553          1539765.0

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: 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
111.026113437095        11609338.0
125.041734730414        4160199.0
143.052306505082        69840390.0
144.053895325187        9336526.0
153.072839624251        4520937.0
177.076273317809        24683428.0
181.067313356117        5000321.0
189.076124128862        137616624.0
191.091545005862        1271941341.0
192.093082227574        162051910.0
193.088516871839        79021596.0
203.05526208632         7596834.0
203.091758399588        16094434.0
204.099524919261        479242795.0
205.053116336146        17657713.0
205.070877855025        12997271.0
205.098648436094        35529589.0
206.096652118325        38137097.0
207.068717751505        5872517.0
215.091963730439        57346579.0
217.071268460144        101151529.0
217.107439740029        3008061011.0
217.120599219026        18976724.0
218.071421909215        7584138.0
218.111157422962        135615929.0
219.067855798403        8668305.0
221.084188869749        459386964.0
222.082806852273        62375377.0
223.081082300298        43091167.0
228.099433659776        13084548.0
239.055166037926        12858835.0
239.094698448033        55801273.0
241.091558016218        4820209.0
255.086475307821        14656926.0
265.110639707297        430889044.0
266.110398522331        62537248.0
267.107664435978        35879260.0
291.126272427249        232033331.0
293.122582892229        21633679.0
303.125958014117        19190277.0
304.134521280581        20404876.0
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: 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: C041
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 122.44
RETENTIONINDEX: 1079.198718
NUM PEAKS: 32
73.0841293753643        962537.0
92.9922681974622        25809589.0
93.5236243719193        7832508.0
93.9918503397022        4037554.0
94.9892593290089        9273560.0
102.528897846033        5258508.0
103.032878700634        5618676.0
106.048287181011        17919228.0
116.082937025519        19358163.0
116.088997408008        2749072817.0
116.093789141941        21174548.0
117.085953932526        5958559.0
117.088526521735        137197201.0
117.09226575013         144026411.0
117.095343138483        3078493.0
118.085738968471        93658275.0
118.091857064635        7792967.0
118.095506285782        3082221.0
120.088840757968        158124.0
129.052817882804        2757896.0
144.047597981883        6935455.0
154.03180616847         40749504.0
155.035134922158        4354801.0
156.011148185837        2560241.0
172.042203916163        16922092.0
178.047197818956        372134.0
190.107642341182        143044792.0
191.109992585577        20336483.0
192.104283767627        9359612.0
204.050979060253        4818700.0
205.059630310281        24572956.0
244.042971889438        1521120.0

NAME: C050
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 128.53
RETENTIONINDEX: 1117.761905
NUM PEAKS: 26
72.0264235348245        4721310.0
75.0234110401587        7374271.0
75.0288404069534        9420937.0
86.9717728755449        9553539.0
88.9509947069327        6380434.0
97.088645546243         920854.0
100.00330732202         18214503.0
102.073359041231        484549126.0
103.002973695426        21838182.0
105.0182950443          11385761.0
108.947110640446        3717342.0
111.104289675305        332703.0
121.013504188071        6619997.0
125.115354944476        203282.0
126.07873680909         3985431.0
126.09126504704         166277.0
135.029243788737        15067415.0
136.028743365687        1890760.0
138.12768595069         120407.0
139.135466943364        514343.0
141.114666977312        105023.0
154.12267450124         570893.0
155.125838888868        379417.0
164.056158349268        17940696.0
169.146107075272        101177.0
202.089475090678        1676418.0

NAME: C069
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 130.09
RETENTIONINDEX: 1125.190476
NUM PEAKS: 21
86.0056992427902        2711333.0
101.02092811015         3817939.0
102.01824104698         2389368.0
103.044500912426        2599397.0
134.021244935394        7182554.0
146.008780268064        1367318.0
147.080421965043        14473000.0
148.078270560108        1986369.0
150.063347848235        15005563.0
160.024341555837        18657982.0
161.023889637628        2526313.0
162.021068924533        1259410.0
162.08910170411         10872364.0
163.08856145602         1564931.0
164.085896362468        2996801.0
192.068147602328        1778215.0
205.093030465047        15763166.0
220.081704158572        39287616.0
235.106747182104        27798083.0
236.106761692076        1814974.0
237.101952207865        2170725.0

NAME: C014
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 149.98
RETENTIONINDEX: 1221.770833
NUM PEAKS: 52
71.0059844923227        3825886.0
71.9719666199499        2166479.0
71.9900274909774        5812873.0
74.0056852185202        1536988.0
74.0420925124285        85880395.0
79.0160789578856        8574277.0
85.0216594051064        4514728.0
87.031715406872         3536909.0
88.0207532276727        7725109.0
96.0370376132644        1390446.0
97.026526300911         1733657.0
99.0373282728119        46094181.0
100.040639660483        1317843.0
101.016609964186        4393447.0
101.034181851708        2732012.0
101.982609735342        9545469.0
102.000154630876        3315030.0
114.02337740682         1266787.0
115.998233384024        4797001.0
116.002585802064        3777476.0
116.999837201447        3953446.0
119.027195812781        3269929.0
124.124646735598        2915545.0
126.977832876968        2581375.0
128.993436567228        1392319.0
134.008812371911        2838933.0
139.014200420375        5051498.0
141.02968959348         1858095.0
143.008967679257        1557248.0
148.078032847282        11287010.0
150.057633341253        2497984.0
153.047823262435        6054496.0
155.045390031855        1862038.0
156.029483507169        6196916.0
157.024814767971        15561377.0
158.024371181576        2235917.0
159.040363777896        6614978.0
171.076628128387        174884309.0
173.056092525207        246443371.0
173.073320230047        11930444.0
174.055469266463        32241937.0
174.064431830768        4896433.0
175.052942497634        10359429.0
188.079602574762        3753549.0
189.087411152082        1350660743.0
189.102579433817        5548747.0
191.066172973803        28653602.0
192.066343508406        3746252.0
192.085666376903        5235061.0
193.062734540397        1479505.0
204.110859488613        15338874.0
248.077454886349        1066716.0

NAME: C029
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 153.57
RETENTIONINDEX: 1240.46875
NUM PEAKS: 37
70.0777148746335        4628348.0
71.0311889268447        10348800.0
72.0264171131849        4675511.0
75.5237480195228        3311751.0
80.5341111230064        1113203.0
84.5289499790363        904070.0
84.9978676202449        475483.0
85.9877142058692        13691265.0
88.0577152937335        40756276.0
89.0572770956514        1887066.0
89.0610580243452        1120093.0
89.5393289823848        733999.0
90.0369470098526        22547940.0
90.0546281186615        1708505.0
94.0319706510303        4266384.0
96.0933494808596        4367354.0
100.003329723351        12633966.0
101.028937252588        1252272.0
102.018321047491        1947749.0
113.023726033145        15565750.0
116.044729014453        1283033.0
116.052564867506        568978681.0
118.049483279673        21775168.0
118.055881458895        2063016.0
118.059401491989        277881.0
120.028311671125        1667067.0
132.029600927707        72202424.0
132.076033673692        1072851.0
132.083789233333        199563995.0
133.085424266122        52777052.0
134.081030944495        7990463.0
143.039590667104        3994312.0
159.07085776526         16908275.0
160.070533147222        670731.0
161.067967200907        6626488.0
179.052187349018        19960617.0
234.098540246274        14389094.0

NAME: C006
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 156.39
RETENTIONINDEX: 1255.15625
NUM PEAKS: 128
70.7588135394428        14991229.0
74.7662475018644        269297750.0
75.016693771762         29126586.0
75.0358175233067        9683738.0
75.0436628332073        197475092.0
75.2660151925286        27199590.0
78.5223824605991        12084905.0
83.0855323069538        6916753.0
88.9509687651041        12259177.0
97.1012165180785        4604582.0
102.073379819497        837785663.0
102.966588569368        33034000.0
103.076739132831        42621008.0
104.982277886207        21328382.0
106.961542715112        16081790.0
117.018558321006        43095678.0
120.977112424336        38610175.0
120.986936580287        28935811.0
122.966061358401        18192433.0
134.016825192648        17144452.0
134.992736602514        117711148.0
135.992431091763        12362634.0
136.97203610622         45386657.0
137.008539212761        22519528.0
138.98766081822         15110335.0
151.033814496838        272227238.0
152.023596394154        24841802.0
153.003234825472        90613709.0
154.002895093264        8609436.0
154.982603098801        33086643.0
162.969599065729        26713375.0
164.949017356284        27534145.0
164.958664331128        23625901.0
164.985398334148        25389803.0
166.937836070126        19164699.0
166.974334619108        28461065.0
174.112685389085        517888524.0
175.11227584893         254429632.0
176.109560999585        158140762.0
176.985228265269        26487199.0
177.021621757925        9512380.0
178.964460933321        34623609.0
178.974209348109        14658166.0
180.943766607239        7866133.0
180.953527623547        142688555.0
180.980270856347        15965220.0
180.990006852001        11759420.0
181.952844778769        14522204.0
182.96930422492         51123547.0
189.02180578818         99746274.0
190.021152071509        15336510.0
191.000788518724        437422428.0
191.018428830595        9926302.0
191.037333648262        7804646.0
192.000494040896        68163234.0
192.006521159849        1452465.0
192.980256377332        286998284.0
192.989947314694        21968400.0
192.997640514717        45716233.0
193.016642366897        92056978.0
193.979542320976        42401897.0
194.016131240973        14090996.0
194.969366652325        11015434.0
194.977046289398        27012078.0
194.995741026565        28032930.0
195.005549961273        41937251.0
196.975026481271        20217719.0
196.984748552794        19874468.0
198.96424566449         72346017.0
199.963297827263        5467044.0
205.053221806375        82933387.0
205.107620579478        111245150.0
206.052336167493        10720154.0
207.032138830925        426977902.0
208.031440261093        57430606.0
209.011369194115        302828720.0
209.029050079901        50708168.0
210.010617857715        35883223.0
210.991801987911        128071549.0
211.000480092161        743842504.0
211.00805688742         26890676.0
211.027173442447        12370620.0
211.990611024149        18083679.0
211.999243763015        65527692.0
212.004888193957        7737601.0
212.987548322924        12961451.0
212.997492056665        46711226.0
213.003907930306        6906171.0
225.052738922709        1011271502.0
225.057028375661        91255219.0
226.05171265661         114411575.0
226.057514686039        8046737.0
227.022393265404        18515063.0
227.032031600798        154824168.0
227.053121853469        84022808.0
229.001419391767        27757772.0
229.012369236307        28514573.0
251.985356435974        8570399.0
252.993951473513        57191251.0
255.007906060993        55431372.0
267.009873325928        175596459.0
268.009674826672        25470696.0
269.006733543281        13560432.0
269.024042851997        91390111.0
270.02371331098         13571218.0
271.021086849643        9829234.0
283.039247376978        1276736941.0
284.039500186972        189359258.0
285.036092118329        127250506.0
286.036455644033        7350962.0
295.607327049769        8665637.0
297.796218685009        9363913.0
298.06385192993         71565456.0
299.039524081663        22991839.0
299.071009675447        17982471221.0
299.091280733541        94471375.0
299.105750743283        19854776.0
300.071429803414        3279781647.0
300.354869573157        8525114.0
301.067910960327        1817775689.0
302.066664426294        211425913.0
302.596538333077        8124158.0
303.063261329832        58372101.0
313.087644860317        20393419.0
314.094743792248        1024035232.0
315.094383693371        179663587.0
316.09117729535         96776013.0
317.091528595518        10329818.0

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: 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: 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: 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: 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
196.984750877344        24453721.0
197.002488746995        3118590.0
198.964265232886        21423295.0
210.028921411283        5615519.0
210.991145612806        26675189.0
211.000507408305        293063162.0
211.00515948695         12209486.0
211.999398375777        34586347.0
212.004861571041        12406371.0
212.979805239834        5609871.0
212.9975042017          26197580.0
213.003978112468        10831067.0
225.01612303133         22333511.0
225.052797955866        206057626.0
226.060565492441        3389954.0
227.032302406818        46629127.0
227.052799888971        12772356.0
228.031372303201        28605623.0
229.012120567941        23810729.0
229.028836269725        18833607.0
241.047341352483        207906852.0
242.046565131286        15825096.0
254.972846682584        13531396.0
255.008483887711        15342672.0
256.071141377417        81909414.0
268.987902111948        14254738.0
269.023065645751        20126306.0
283.038975322888        87835245.0
283.077223603392        4240542.0
284.038765682836        36332439.0
284.047847560166        16876475.0
285.020856469373        71628001.0
285.037117625006        14819510.0
286.018722030541        14289135.0
287.015806645616        11277972.0
298.063602401123        17817095.0
298.100712112463        63986131.0
299.071055799686        2128008628.0
299.103103081617        14588373.0
300.071132690599        357671126.0
300.095600251131        11128855.0
301.067944921725        214638799.0
302.066308739279        27960543.0
303.063902404178        11641821.0
313.08710828569         37410519.0
314.094913595715        111538353.0
315.102720545797        468877656.0
316.102908849083        85560040.0
317.098942117172        45726750.0
318.100567641456        7513554.0
327.066907433148        12653985.0
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: 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
127.06855868316         6761920.0
135.077108142192        4645122.0
137.941234310306        5497287.0
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
257.168967084637        18606029.0
258.162446023868        14108970.0
278.291413696853        3978698.0
286.414411533465        4701336.0
287.113120857513        14834782.0
373.20242050704         7382425.0

NAME: C004
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 281.14
RETENTIONINDEX: 1864.270833
NUM PEAKS: 133
73.0442774196692        43427043.0
76.7877765636581        36867611.0
82.0287764397131        14403247.0
84.0264189057457        44227273.0
87.0261244420359        8119251.0
89.0417212260272        300309561.0
90.0413382064351        20241402.0
90.0453293598109        10529116.0
91.0210449471361        6002447.0
91.0574195592591        77536294.0
92.0570057716064        6831570.0
100.021290957126        40776047.0
101.041722098231        38070287.0
102.037003084157        14788815.0
103.057402645866        742366453.0
104.056941844155        50265736.0
104.060640427731        32476058.0
105.036669173611        4356477.0
105.054350992755        36464664.0
105.072814053772        42586321.0
107.052274593264        21289591.0
111.02610348604         12029133.0
114.036949079325        17218401.0
115.044830373125        17317329.0
115.057399403328        16868654.0
117.036565950721        250369120.0
118.036189570718        18095275.0
118.040028705771        25210706.0
119.015816266648        5679009.0
126.036946884123        11074836.0
127.057374364192        14534823.0
130.036220392438        62692526.0
130.039995757391        64758855.0
133.067622940029        155881977.0
142.068329871816        165445429.0
143.070182252456        18651954.0
144.083841374779        11601770.0
145.06788275214         20209322.0
152.05263386683         20108742.0
156.047360880423        9705058.0
163.060372867003        65510626.0
165.057216241631        11870122.0
170.063258457184        16748280.0
173.068039789864        43110036.0
173.086694269178        201267523.0
175.060488740021        36958850.0
175.083532346585        41712896.0
176.061460287086        15926551.0
182.063212995492        28363578.0
186.09429568096         23735661.0
189.076169715928        825029623.0
191.072951063098        51478583.0
196.078730622868        11852501.0
198.094356625603        30089811.0
200.055578733836        21240668.0
200.110164270208        18637146.0
201.099984383691        170434790.0
203.055325630312        10558307.0
203.091763731358        33930527.0
205.053200643873        18438847.0
207.086610369153        29693365.0
214.962016695882        11203354.0
216.317732137529        7826622.0
217.071023488157        72705727.0
217.095083420724        54995937.0
217.121796787879        50243146.0
217.166426338473        9239645.0
217.900749229103        7653546.0
218.106794379465        334685948.0
218.111164744607        345419754.0
219.10442246025         200256816.0
221.084059323829        134852300.0
226.113084127754        47047242.0
227.116801955308        8932805.0
228.086848745893        11783707.0
230.066158666165        13496526.0
231.086947416196        49649794.0
235.119062770912        13586188.0
240.08721243609         29102373.0
242.102369579214        23904129.0
244.118344303396        97250619.0
254.102694408539        15597106.0
256.118437672343        78739849.0
260.113103825249        47767703.0
262.130014540454        200988583.0
263.138573404215        53408535.0
268.118306919701        28596285.0
270.097678093505        12115606.0
270.134141208722        19974347.0
272.113437044862        28234289.0
276.144462665628        27720147.0
277.147232129808        769954256.0
278.146892922202        115217293.0
279.143784551238        56035231.0
288.126437112534        54520275.0
289.128218919886        16764007.0
293.122628474483        14301867.0
300.144341828753        33176785.0
302.123699256429        10229334.0
302.142369213994        57143899.0
307.157207611693        1278188117.0
308.157842265781        259423411.0
309.153358236607        124942652.0
310.155034853292        35092151.0
313.13794281126         9929507.0
319.13837209334         35159018.0
328.158116067274        14357421.0
330.136513260744        49905906.0
331.137963917645        11826973.0
332.154553184823        25824792.0
333.160508063619        64490793.0
334.16898677718         107798098.0
335.156265735477        16470528.0
335.168937214244        30819530.0
342.136313045773        10306765.0
344.152591810826        21798292.0
350.162009338002        27136149.0
351.164342942217        13379794.0
358.167933699256        29617511.0
364.17811863351         334806610.0
365.179941921808        79125623.0
366.175689249457        29985899.0
376.178658020756        27285941.0
377.18063775328         13348755.0
390.195061114161        13993459.0
432.186649360652        22112168.0
433.192400997591        14756847.0
464.212596374886        14461181.0
465.21501265446         8807847.0
466.229037894481        11598169.0
522.237414197299        6572270.0
554.264791787775        8367305.0
555.265568698089        6612134.0

NAME: C002
IONMODE: Negative
SPECTRUMTYPE: Centroid
RETENTIONTIME: 290.89
RETENTIONINDEX: 1915.052083
NUM PEAKS: 154
74.0420834639321        120682786.0
80.0494750602472        12339346.0
82.0107698705264        8113847.0
82.0525502295731        60894902.0
82.0651194565621        69447188.0
83.0311632951016        17182147.0
83.0603552165549        26106020.0
85.046840423611         36500190.0
86.0420827109742        437807591.0
87.0453942386005        61802493.0
88.0577103462022        126672522.0
92.0526600111699        12421233.0
94.0651670460976        18848709.0
96.0263813762539        14381972.0
97.0468986440212        15794212.0
98.0421044995257        61798780.0
99.06249129056          8628267.0
100.003287517863        26090881.0
104.052665196453        62263260.0
106.068269556965        10590759.0
106.894750634963        10256492.0
108.892711554142        11334123.0
108.910444165148        11643908.0
110.042107118335        36696327.0
110.908343397409        13030309.0
112.057747931751        202767274.0
113.023768186909        24015489.0
113.060990726567        11748906.0
114.073420371446        118499512.0
116.034576517123        25573830.0
118.013833408793        16053275.0
124.057702695463        27174358.0
125.053020535183        10497273.0
126.073371777015        116026001.0
128.089034552709        1076874098.0
129.088615400632        49671667.0
129.092275725785        64644162.0
130.050240665132        211482345.0
130.085929598478        31261544.0
131.050293706342        20915133.0
132.02961924114         104192915.0
132.047128086909        12094980.0
132.066113699847        16131826.0
136.941688061638        81146638.0
138.073445775264        23634965.0
138.939710087807        74853849.0
139.0686036981          52754759.0
139.081144509926        34483099.0
140.08899268638         293228811.0
141.092347928277        65071812.0
146.081595655039        145607206.0
147.080815648938        17595931.0
151.068736822218        10434254.0
153.084293111734        142395683.0
154.067420851191        38774968.0
154.084420613659        52714657.0
154.091894366848        8040303517.0
154.099503530777        38324808.0
154.104655547101        443159050.0
155.091615331178        372481990.0
155.099727288506        1310679140.0
155.10781250826         49431503.0
155.112254523726        44722686.0
156.105471106688        166859587.0
156.120166450827        7207510907.0
156.127862778166        41072907.0
157.097093417462        32026839.0
157.121496619714        926586633.0
158.099385920317        12616679.0
158.124946605491        234352340.0
160.097096389934        45502811.0
164.094075508998        34423231.0
165.084107046349        8145865.0
166.079422233971        178017216.0
166.104685302363        80292109.0
167.07871269313         4507534.0
167.082828184413        13060281.0
167.099713290459        33540976.0
168.058648244495        5700201.0
168.083785856497        48614668.0
170.082445253861        28135897.0
170.099553031307        28093003.0
174.076517369154        49839977.0
174.103640753562        66052643.0
174.112663155196        5611399476.0
175.112170691358        833424254.0
176.109466908977        366520262.0
176.115493491049        47516513.0
184.09719460417         42599922.0
186.112626331526        117291912.0
187.108107044473        22347464.0
194.0743897508          8637337.0
198.113011436307        16774760.0
200.128530660802        474547422.0
201.076108377723        46006626.0
201.127096169995        52130161.0
202.071563374098        11705583.0
202.125165445139        33637559.0
208.08987892552         12797967.0
211.10767888855         43890336.0
212.12878309912         45875600.0
213.13636807691         35030810.0
214.107807984073        285748748.0
215.091931295473        234180262.0
215.110674585538        36705109.0
216.104580934199        20836364.0
223.108076558568        11023160.0
225.123655999268        36876138.0
226.13153622958         230503051.0
227.13043943876         10085174.0
228.123249098843        71535895.0
228.159905893646        362434420.0
229.161937176139        38367663.0
230.11510202532         1523196176.0
230.139090546109        293710971.0
230.156245628046        45899538.0
231.116370377997        120829979.0
238.119217265137        947506152.0
239.121427840401        63610601.0
239.139249070531        39299143.0
240.099210617648        7249600.0
240.115927718166        52952233.0
240.123288794265        76462964.0
241.118888018358        41168985.0
243.170568177597        125330108.0
244.154610797799        67993804.0
254.129501750287        22468081.0
254.15027250779         3541758949.0
254.166344878179        23375802.0
255.134464422483        9943127.0
255.153455142685        389823786.0
255.17059633608         62094050.0
256.146875761737        243800132.0
257.113547269649        157019561.0
257.15089582724         26466261.0
267.116330800132        19910509.0
272.149988875225        105632286.0
273.158421055509        86183840.0
274.146840544661        38353426.0
302.178660705055        15925694.0
304.15803854925         24147305.0
313.158276970897        15473630.0
317.225363435622        262506151.0
318.226361789138        56804918.0
319.222337550035        23286345.0
328.168552290245        125300682.0
329.189024733197        158066255.0
338.153719073072        54058937.0
339.154593618751        14921199.0
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
102.0545547641          18000207.0
107.049178092153        5259667.0
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
176.052466278487        24452258.0
179.052334497828        3213462.0
180.090606856118        23492333.0
184.087743496986        9633402.0
193.067673166181        17520968.0
218.07617589558         9295248.0
218.090165214098        45345145.0
221.102841025724        24047780.0
248.091817520042        9584686.0
250.071128737698        39717545.0
264.123968255395        30111084.0
265.103712182846        7436142.0
265.107288629308        75402743.0
266.111080001919        24900167.0
267.086687778924        32556612.0
268.129715772248        30785623.0
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
100.057744254947        496769873.0
115.054168772455        6832970.0
118.065786334856        15147158.0
130.031878160532        72453339.0
147.02636157237         5271163.0
151.05716747583         7189660.0
159.094722405838        132067111.0
163.096954971874        92944620.0
165.073061690929        21387568.0
171.047209275619        17771318.0
183.083656577519        22405730.0
195.094697043323        12237813.0
218.102502561969        5983687580.0
280.154644213041        824926354.0
281.157982765931        132165993.0
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: 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: 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
83.049137600019         33038328.0
84.0525192390775        7478871.0
87.0553285125512        74200004.0
89.0417142929142        74233823.0
90.0370022508945        13992895.0
91.0210436941179        2390862.0
93.044785299243         7452819.0
94.0525975127288        10453244.0
96.0444253536972        10903036.0
99.0553397906279        10231908.0
105.044808242391        6408829.0
107.052294660788        6242866.0
109.039650121962        5568695.0
110.047462837666        5061668.0
111.055323802391        5873056.0
112.039298026444        3965753.0
112.063146344341        6515958.0
113.052882942859        8276419.0
113.070935069309        6091506.0
116.06489332999         7651769.0
117.052272989142        3424764.0
119.060398059581        5015688.0
123.055298722957        6914458.0
126.036934304886        7725659.0
127.068555548084        6308443.0
129.036692025662        122379411.0
129.065799497037        22459026.0
129.072869578599        357742590.0
129.084157333304        8540678.0
130.068355771428        19512498.0
130.072660895986        17001807.0
130.076400507348        21643851.0
131.076042114677        42394426.0
132.075235945687        15098771.0
132.083789835617        26794170.0
137.070988883611        9859706.0
138.05493224095         3165654.0
139.051175003371        7069320.0
141.047778003792        23946731.0
141.065923570004        9330027.0
142.055705069575        6974963.0
144.08382621206         24138104.0
152.052612709208        12445682.0
153.047862201653        13551007.0
153.06050104986         5683251.0
154.031798596314        9702495.0
154.068135836281        22462918.0
155.063488378907        17345256.0
157.067778706704        305000842.0
157.079041955576        23421863.0
158.063049350607        79873894.0
158.071192154163        24230537.0
158.087223744981        44233946.0
159.066220496597        14412715.0
159.094678886574        63040570.0
167.063455325892        21288707.0
169.079013983553        42107910.0
170.063237400093        16300891.0
175.083575347646        36260729.0
178.068296395536        5176174.0
179.081486447783        7029930.0
180.047488487863        6887272.0
181.079036591706        29074392.0
182.087014052977        13760713.0
182.099591005081        6217729.0
184.078890320729        22831122.0
185.110259256924        10498695.0
186.094277657113        33629523.0
191.072955515118        17861044.0
194.099507858777        7280353.0
195.09471415495         25188698.0
196.078795602271        6238390.0
196.102396694031        10925562.0
199.08955397795         9152031.0
201.105247648349        119861528.0
201.112359610286        31839556.0
205.107609165375        288674074.0
206.107497510189        35502636.0
207.09499264929         14009572.0
207.103984365352        24028098.0
209.11035836202         11298196.0
210.094325451895        13575347.0
211.089848595549        23856594.0
212.097009756898        13775311.0
213.105228486782        73929890.0
219.09527736534         8505195.0
221.074300407885        14508487.0
225.105533091326        19016199.0
233.102475979575        15389167.0
242.10246806473         19687380.0
242.126657609235        11066324.0
243.134206462776        50646552.0
244.119452816047        30022076.0
245.114820894281        11088338.0
254.102870594529        5350655.0
255.134441237269        46732255.0
269.113908264442        46534893.0
270.134437529958        7090136.0
271.128972048701        37425633.0
273.144669229945        9722721.0
274.128730992046        139451474.0
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
334.168322787397        15415305.0
360.184205186806        23337977.0
374.163526061853        21552675.0
399.195205285978        19867111.0
401.174241468972        35504809.0
417.205717817748        23250105.0
417.241711757457        19573381.0
418.207654920137        17403027.0
418.243205616146        12152742.0
475.229231161579        2756806.0
489.245871828029        38098072.0
490.247019499098        8845886.0
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
109.076031398849        6450381.0
110.060064337551        4270169.0
114.054970932673        26844038.0
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
243.114688975684        96867894.0
255.11588382923         27970144.0
259.141882711861        14063033.0
260.113279665034        10908440.0
285.144932643761        43021732.0
286.128932061527        13523103.0
286.148425364417        16693436.0
313.139639980503        6608351.0
375.195189950703        13408933.0

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: 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: 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: 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: 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: 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: 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: 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
504.209456792547        329424.0
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
94.0733070011291        3889576.0
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
146.10895874309         9625734.0
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
175.148155219678        15800437.0
176.15153622842         2909924.0
177.163609702921        14021529.0
178.166602029859        2005736.0
179.178718089774        4578526.0
185.13242973467         14730920.0
186.140223452716        2426501.0
187.147936033357        12024278.0
188.152967971112        2450425.0
189.163587703438        14828774.0
190.166699474079        2753204.0
191.179353688003        9287015.0
192.182618296882        1468952.0
193.195126791908        6291696.0
199.148125910147        17515810.0
200.155899410209        5929850.0
201.163606372509        16373494.0
202.166963586276        2963997.0
203.179597701892        25899263.0
204.18285719336         4724938.0
205.195196169602        8800208.0
206.202938133338        4573220.0
207.209932530154        4634568.0
213.163606081894        27771946.0
214.166941808588        7248493.0
214.172003388011        2560619.0
215.179278703734        15579899.0
216.182607084588        2806267.0
217.19503711512         22623441.0
218.197999976334        4283364.0
219.210613084576        17835045.0
220.213542545681        3107974.0
221.22585465571         1112010.0
227.179184150695        10266249.0
229.195092245233        8479599.0
230.198520405678        1512297.0
231.209855103064        6631668.0
232.213536523501        1154923.0
233.225592367444        20781341.0
234.229302168729        3671518.0
241.195034760735        7453795.0
245.226162187032        10987311.0
246.233759914797        3928238.0
247.241903470725        34088599.0
248.245559155714        7136408.0
255.210974513013        52501395.0
256.213852907184        11854021.0
259.242308351489        14234632.0
260.250198864262        3651020.0
261.258138270148        1401051.0
269.22650899089         1870329.0
273.257550597912        10507133.0
274.265991951803        2894052.0
275.273489793873        9588486.0
276.276406531617        1902902.0
285.257454346804        1168905.0
287.273437026002        1780360.0
290.205978284428        3403602.0
291.214287296408        3280585.0
299.273490922892        3083859.0
301.288738927544        12588147.0
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
429.354633109529        1368500.0
443.370317749092        18463087.0
444.37413582235         6464131.0
458.394395914106        33036024.0
459.396960465854        12742119.0
460.400687283673        1861667.0

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
95.0855228641286        86321279.0
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
628.305877521448        1867711.0
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: 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: 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: 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
89.0385704861689        3355834.0
92.057660976223         2879321.0
95.0491811761544        1998774.0
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: 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
478.141485242814        1506934.0
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: 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
267.068824022318        27744081.0
268.069192256745        2367920.0
310.970568727813        3126083.0
311.004219192148        2666091.0
325.055731606087        7634729.0
327.965549188207        5442532.0
328.962716535303        2722019.0
339.03821058645         6627839.0
341.051986399316        1671451.0
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
475.002854889036        2969642.0
475.14184210128         30625723.0
477.070907310139        2271450.0
489.055479984185        1973511.0
503.107930410573        2407435.0
549.092119293556        2513579.0
552.160354111203        1673065.0
565.143723544965        3485979.0
610.132183060405        1997085.0
625.181479977537        3872339.0
697.202597429349        2820429.0