m.z	Dm_polneg_C_11	Dm_polneg_C_16	Dm_polneg_C_21	Dm_polneg_C_26	Dm_polneg_C_31	Dm_polneg_C_36	Dm_polneg_C_41	Dm_polneg_C_6	Dm_polneg_Ion_1_14	Dm_polneg_Ion_1_19	Dm_polneg_Ion_1_24	Dm_polneg_Ion_1_29	Dm_polneg_Ion_1_34	Dm_polneg_Ion_1_39	Dm_polneg_Ion_1_4	Dm_polneg_Ion_1_44	Dm_polneg_Ion_1_49	Dm_polneg_Ion_1_9	Dm_polneg_LCO_01_12	Dm_polneg_LCO_01_17	Dm_polneg_LCO_01_2	Dm_polneg_LCO_01_22	Dm_polneg_LCO_01_27	Dm_polneg_LCO_01_32	Dm_polneg_LCO_01_37	Dm_polneg_LCO_01_42	Dm_polneg_LCO_01_47	Dm_polneg_LCO_01_7	Dm_polneg_LCO_1_13	Dm_polneg_LCO_1_18	Dm_polneg_LCO_1_23	Dm_polneg_LCO_1_28	Dm_polneg_LCO_1_3	Dm_polneg_LCO_1_33	Dm_polneg_LCO_1_38	Dm_polneg_LCO_1_43	Dm_polneg_LCO_1_48	Dm_polneg_LCO_1_8	Dm_polneg_QC_1	Dm_polneg_QC_10	Dm_polneg_QC_11	Dm_polneg_QC_12	Dm_polneg_QC_13	Dm_polneg_QC_14	Dm_polneg_QC_2	Dm_polneg_QC_3	Dm_polneg_QC_4	Dm_polneg_QC_5	Dm_polneg_QC_6	Dm_polneg_QC_7	Dm_polneg_QC_8	Dm_polneg_QC_9
Factors	characteristics:untreated	characteristics:untreated	characteristics:untreated	characteristics:untreated	characteristics:untreated	characteristics:untreated	characteristics:untreated	characteristics:untreated	characteristics:untreated	characteristics:Ion	characteristics:Ion	characteristics:Ion	characteristics:Ion	characteristics:Ion	characteristics:Ion	characteristics:Ion	characteristics:Ion	characteristics:Ion	characteristics:Ion	characteristics:LCO 0.1 mg/L	characteristics:LCO 0.1 mg/L	characteristics:LCO 0.1 mg/L	characteristics:LCO 0.1 mg/L	characteristics:LCO 0.1 mg/L	characteristics:LCO 0.1 mg/L	characteristics:LCO 0.1 mg/L	characteristics:LCO 0.1 mg/L	characteristics:LCO 0.1 mg/L	characteristics:LCO 0.1 mg/L	characteristics:LCO 1 mg/L	characteristics:LCO 1 mg/L	characteristics:LCO 1 mg/L	characteristics:LCO 1 mg/L	characteristics:LCO 1 mg/L	characteristics:LCO 1 mg/L	characteristics:LCO 1 mg/L	characteristics:LCO 1 mg/L	characteristics:LCO 1 mg/L	characteristics:Quality control	characteristics:Quality control	characteristics:Quality control	characteristics:Quality control	characteristics:Quality control	characteristics:Quality control	characteristics:Quality control	characteristics:Quality control	characteristics:Quality control	characteristics:Quality control	characteristics:Quality control	characteristics:Quality control	characteristics:Quality control	characteristics:Quality control
88.03989415	8.703524108	7.964836683	8.484178129	8.489508495	9.297362108	8.873231965	8.25474311	7.845318078	8.862155492	8.02250279	8.113871047	8.483391425	8.702905205	7.801947217	9.000860115	7.65647401	8.514014586	8.192393695	8.753330244	8.529963395	8.533369077	8.636902416	8.526781804	8.550769063	8.293542877	8.917786763	8.372017713	9.229913391	8.350187546	7.990560723	8.57806039	8.05572129	8.628764746	8.579592469	7.981146243	8.568442244	8.507881345	8.939013969	9.028237179	8.240328222	8.296004207	8.393429138	8.203179641	8.089563497	9.149137162	8.793726714	8.824428148	8.541371589	8.210861243	8.123850415	7.850483858	8.473292807
92.9274468	7.892424654	7.817888588	7.735642373	7.709455199	8.52654326	7.600738116	7.373647215	6.952274476	7.891333663	8.149101806	7.807117017	7.236984563	7.217339819	6.921683426	8.688569317	7.89294761	7.948580892	8.202686859	8.179307602	7.642673819	7.045725281	7.983951486	7.135562865	7.793713103	7.513236451	7.777916188	7.795089216	7.708667786	7.634653398	7.803070606	7.819148637	7.5140457	8.338636636	7.38224538	6.733126219	7.881252139	7.678881432	8.089724235	8.148321709	7.443375363	7.265524255	7.256020645	6.900564961	7.262477074	8.35972754	7.934909125	7.885893273	7.833409311	7.189420758	7.231538004	7.239575047	7.525055556
116.0711863	10.65616193	9.211223431	10.19737833	9.487366592	10.78005923	11.13913286	10.11295504	9.52356341	10.90278021	10.3233547	9.689267	9.446395085	10.53869436	9.140299432	9.307565728	9.20759634	10.18815661	9.448071418	9.419387379	8.955024649	9.063119358	9.716775191	9.696965616	9.172683286	9.044800765	9.513912852	9.308420311	8.52054796	8.470224591	8.701938772	9.334386124	8.696138856	9.52629207	9.012577855	8.696813931	9.295221377	9.205059593	9.583430073	10.12332419	9.34073708	9.590667065	9.473897779	9.402083107	9.153316852	10.25710697	9.96063052	9.788866624	9.730300489	9.498612486	9.385180578	9.230396733	9.330355574
116.0717539	9.013898673	8.152437134	8.801062287	8.072489946	9.21315193	8.807390297	8.358820918	8.20711265	8.842776147	8.521604683	8.321046319	8.188652117	8.888135561	7.973043376	8.084450226	7.576299213	8.281490461	7.725629278	7.708802929	8.185555018	7.832945804	8.284484952	8.292016289	7.772612278	8.191598816	7.8411293	8.074030019	8.638796142	7.338819094	7.967693647	8.157473471	7.534058119	7.752717656	7.857655029	7.790110518	7.935807295	7.50061401	7.790749962	8.662690996	8.133000525	8.164006757	7.9613904	8.006307465	7.714036312	9.026625347	8.470292844	8.302130277	8.327190544	7.506946122	7.347649544	7.655329447	7.729604745
118.9415588	9.106453048	9.389700541	9.904992664	10.1739337	10.16467206	8.013561506	8.042705958	9.298183802	9.413694631	9.50434813	10.14964306	9.587756899	10.54907397	9.260225662	7.918145739	10.34622481	10.40734046	8.241277618	10.76356244	9.661706456	8.224304084	10.51131126	10.07995934	8.863375966	8.837087726	9.825893147	8.621964595	9.882946144	10.0948223	9.909324837	9.33997585	9.587907386	8.322610302	10.7772304	9.759380635	10.43248016	10.42281336	10.23387287	10.21432072	9.324785858	9.67280093	9.716187237	9.477729997	9.340101311	10.425192	10.07895778	9.868239701	9.953103463	9.263237503	9.079065174	9.07160836	9.402273617
127.0507369	8.166597977	7.993348713	8.312337775	8.489653966	8.064044925	7.795905711	7.52713581	8.143084379	8.037000213	8.036591055	7.778083016	8.183301178	8.268056253	8.199944982	8.864233012	7.582177344	8.655408864	7.894922753	9.033952687	7.902698212	7.937868891	8.079283545	8.124003035	8.919186731	8.312984451	8.904179002	8.41700222	8.302617304	8.555991712	7.813264199	7.959989165	7.768063882	8.622621338	8.063423011	7.77511072	8.203081359	7.725776895	8.49880375	8.908097178	7.837630041	8.061260649	7.854579508	7.577686075	7.613877336	9.026334256	8.512482395	8.1958309	8.24673377	7.986693729	7.841016073	7.567725444	7.970148347
128.0347923	9.458446225	9.220529444	9.83308465	9.776898478	10.91787271	10.1980323	9.599498502	9.612491942	9.953601468	9.436567331	9.858896983	10.56928015	9.936958564	9.975398302	10.08454908	9.542577576	10.27858499	9.45203457	10.28014803	9.384107897	9.528930687	9.8855316	10.06416508	9.931966011	9.804266652	10.96773492	10.07472918	9.851583218	10.44421678	9.284701234	9.811647538	9.772750351	9.814868387	9.901236846	9.354135508	9.947223486	9.847299483	10.06310286	10.5116593	9.726213884	9.851599615	9.771441839	9.632436524	9.535200626	10.64576072	10.22013366	10.19372096	10.06586182	9.644554926	9.783353048	9.388124567	9.724265831
129.0921257	8.391524676	8.340756074	8.572122388	8.033308599	8.491933447	8.117582709	8.153457712	7.866561331	7.932071058	8.099369831	8.275109325	7.809972242	8.41476598	8.052459901	8.12232807	8.012414711	8.095467906	7.979805916	8.113692218	8.071031438	8.018612587	8.038233077	8.382685379	7.89747723	7.556581854	7.927036741	8.120298475	9.003833531	7.920655733	7.921623948	8.194159719	8.194777496	7.585868709	8.075139679	7.933033493	8.081301788	7.780598128	7.784451847	8.613693059	8.199546376	8.172624839	8.130197562	7.791034373	8.009266544	9.222730823	8.233007646	7.978596177	8.051765209	7.781515913	7.624076095	7.77768335	7.864443254
130.0869491	12.33484004	11.43173734	11.89115552	11.42451737	12.30653686	12.76698026	11.9077261	11.55593509	12.30880327	12.02803951	11.55356805	11.53802658	12.13914974	11.37135978	11.32508711	11.37286403	11.76794887	11.48741015	11.16672049	11.31078483	11.41348863	11.59414264	11.79961159	11.27788669	11.07871588	11.38197774	11.63049248	11.19267019	10.8509456	10.80668188	11.47452416	11.02691641	11.46310842	11.25585256	10.90730702	11.43850508	11.15289188	11.42871428	11.93052718	11.50215801	11.51529223	11.52386209	11.37429502	11.3128921	12.07825428	11.6994252	11.64835873	11.65223528	11.35801726	11.33666474	11.26633201	11.40578238
131.0821882	12.10845176	12.30846164	12.37483053	12.00747469	12.15581295	12.11346372	12.18865344	12.06798272	12.38072489	12.07611414	12.44858773	12.39256731	12.1883303	12.17293174	12.19773847	11.74279924	12.24204979	12.22759357	12.07923331	12.24667553	12.21232284	12.30243677	12.46631094	12.19497251	11.89334879	12.20722582	12.48783082	12.30499034	12.09315202	12.07081767	12.45256352	12.19707456	12.23003467	12.28603746	11.91236717	12.33842798	12.2039744	12.30471282	12.58311254	12.18723481	12.17499993	12.15732168	12.0340686	11.99968357	12.69646003	12.31960595	12.27588518	12.21062189	12.04956143	12.03333141	11.94453295	12.09554775
132.0297069	8.443988126	7.999706063	8.989502461	8.716329269	9.196344016	7.958385481	8.028569677	8.013247084	7.576705628	8.101087136	8.125974069	8.050804262	8.299329082	7.561977358	9.351064262	7.280146793	8.649974766	7.477719152	8.771780278	8.164709036	8.383676466	8.774011826	8.43456553	8.176153679	8.296939477	9.553939154	7.947963307	8.737173092	8.838685842	8.050444958	8.477902753	8.152566342	8.309886555	8.702051762	7.88967656	8.44261011	8.573384153	8.631582118	9.22108912	7.911143502	8.194424666	8.198254229	7.93015632	8.044026926	9.482211004	8.918789132	8.735217211	8.630507855	7.967767435	7.780389369	7.784695452	7.92585349
134.046707	10.49005984	10.31040179	9.372814698	8.857370602	10.62450586	11.14538456	10.76400964	9.740913742	10.64949072	11.36961842	10.35574029	9.153650317	10.58262008	9.93352474	8.630517904	8.906096135	9.565051971	9.607569661	8.503154876	9.219022358	10.10740376	8.383451311	8.652570876	8.632849907	9.02437042	8.646303685	9.842026152	10.04300909	8.822728195	8.859927025	8.564588963	9.013948651	9.248694563	8.580013445	8.220512567	9.25347556	7.828382859	9.173628583	9.974514881	9.610017215	9.666153869	9.578272627	9.718340887	9.707298509	10.14381777	9.662057302	9.684686336	9.339195234	9.619850489	9.482025884	9.726705169	9.630196073
142.9747049	9.856995283	10.07069499	9.913535053	9.6885354	9.431981844	9.916459155	9.790289633	9.913704766	9.67515011	9.718983269	9.910019634	9.975004596	9.317888129	9.892404957	9.602100964	10.0201511	9.919249994	9.656511171	9.932200225	9.892093023	9.725452637	9.806132347	9.470632479	9.956324196	9.815860237	9.633178549	9.912012358	9.216909978	9.615772152	9.68536519	10.01875304	10.13970648	9.775044092	9.544690774	9.839145651	9.811992254	9.915145652	9.139226435	9.476330597	9.885731327	10.01642999	9.561035122	9.015922506	9.021155422	9.49157238	9.176642953	9.180235322	9.895408846	9.692515509	9.596717179	9.615659353	9.782271029
145.0614842	11.23515793	11.25248416	11.84328964	11.87731761	11.72354448	11.34366042	11.17798136	11.63610438	11.47111757	10.47297935	11.498583	11.83667585	11.69269715	11.55231045	12.24271184	11.32601662	11.90080968	11.54501446	12.10878594	11.5050049	11.45878483	11.68512434	11.74178808	11.87080366	11.51046107	12.19760289	11.73318425	11.94846954	11.85374265	11.33803803	11.72439587	11.49541878	11.73621431	11.66581318	11.32733875	11.69209942	11.35179303	11.83445623	12.16636439	11.57328889	11.55552967	11.57301178	11.4280981	11.36478987	12.33603602	11.94132846	11.82219263	11.78828465	11.41999453	11.32959503	11.32032826	11.49322465
145.0977549	10.51522921	9.695325998	10.05485469	9.527082139	10.33736248	10.8106133	10.01415462	8.676428462	10.75227126	9.794267338	10.00102101	10.25248914	10.14136591	9.314740752	10.57884761	9.460474183	10.00391267	10.07111671	8.905610632	9.746669873	9.943873818	10.29177946	10.25709693	9.751101207	9.438277268	10.27033616	10.14184736	9.553504139	8.351844892	8.507882907	10.06266954	9.406641641	9.908388981	9.868386346	9.716410365	9.925997225	10.08290159	9.995809934	10.31102572	9.754338125	9.771770106	9.810806875	9.613473901	9.610577297	10.47755063	10.10288197	9.942244284	9.916636203	9.733744761	9.699066883	9.52979621	9.806153177
146.0455014	11.40793069	11.31442573	11.83895253	11.75594369	12.26449099	11.63352111	11.53239543	11.77749237	11.70428708	11.02521976	11.89452892	11.90034393	11.93163154	11.60503749	12.29438627	11.55206558	12.1378988	11.50614139	12.1636005	11.63666608	11.46988444	11.84779772	12.03993729	11.83908371	11.53211505	12.42421197	11.99634739	12.11831767	11.91166863	11.22493446	12.00637016	11.60346143	11.71135742	11.9492858	11.30970104	11.90513539	11.61283159	11.96212717	12.34047531	11.67425076	11.6925127	11.69801838	11.55513507	11.50517718	12.54775376	12.14498939	11.9697957	11.97034771	11.52421306	11.45144136	11.38796572	11.6054283
151.0607454	9.126698986	11.47425336	9.179591163	11.07142613	10.84727511	10.31388941	11.82240968	8.688991999	9.383221152	9.291436174	8.933021176	11.35668165	9.15028229	9.311898036	11.0432381	9.023606023	8.925037476	7.684610596	9.985549936	11.38103402	10.35919582	9.702737721	10.66114723	7.661152674	10.83856065	9.620567241	8.351972221	10.1216705	9.868344264	8.658701105	10.12334392	10.10143041	8.64126491	9.303060524	10.09464431	11.17854444	8.358699872	10.36176025	10.50769914	9.711730619	10.1640271	9.968214731	10.18329421	10.0016238	10.76801589	10.35861363	10.4167422	10.11483484	9.968705218	9.666608095	9.848341124	9.679610837
154.0618121	10.9172368	10.82869983	11.56423028	11.56186138	11.69877309	11.16718484	11.04703275	11.42405457	10.6794689	10.54758696	11.22251455	11.6033306	11.15062852	10.86996793	11.46897676	10.99396299	11.26480923	10.77493615	11.01250418	10.13449937	10.28796806	11.2918967	10.51254339	10.68125525	10.48933668	11.23981095	10.44407376	10.69571204	10.17680651	10.56994011	10.57469314	10.69996577	9.861852621	10.47271142	10.26606025	10.57421948	10.69222155	10.47580283	11.22598679	10.73056486	10.70233931	10.69132828	10.41023284	10.52761906	11.40138066	11.02352254	10.8053664	10.84721995	10.6047179	10.58525864	10.47648342	10.67924711
154.9181915	8.360759039	8.078070302	8.658449285	8.400894308	9.675502417	7.955546902	7.968683761	8.08788496	8.339435948	8.285375492	9.620898815	8.8324321	9.005496098	8.649597531	8.276896244	9.02239256	9.507819732	8.082171177	8.94118442	8.35128227	7.53761043	9.714828959	8.691381484	8.152660327	7.962312204	9.465411443	7.90733488	7.661275567	8.276353458	9.460637111	9.015889409	8.983779349	7.571041837	9.628610604	8.602063187	9.532266115	9.350068088	8.926083152	9.338169826	8.300403959	8.489684648	8.361302474	8.137673754	8.198709688	9.018267092	8.586540344	8.720623563	8.825960849	8.441967114	8.318047062	8.24644228	8.380383334
156.0273205	8.09101907	7.662454211	8.174443243	7.91890769	8.612146891	8.639029994	7.942283074	7.250863997	8.419531722	8.269167543	8.051447972	8.387267037	8.499068974	7.595368876	7.562409944	7.487510263	7.79587845	7.879886038	8.06474091	7.939759632	7.666031159	8.502069641	7.940296073	7.902835844	8.077963463	8.517613846	7.996427052	7.913581395	7.49245712	7.738585435	8.199193429	8.152720556	7.939066957	7.526692377	7.401465861	7.766267149	7.749257953	7.68974884	8.1679472	7.845275877	7.815178156	7.816693523	7.504689097	7.564577879	8.472178613	8.094842359	7.780901797	7.918006684	7.937315484	7.845833164	7.626129361	7.957210086
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