view test-data/recal/recalibrants.tabular @ 5:634ae07958a2 draft

planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/mfassignr commit 1e98df2131b9b5384ca2e4310f93270eae6f517c

"abundance"	"exp_mass"	"theor_mass"	"recal_err"	"orig_err"
115.054231533359	"C9H6"	115.05422664356	0.728984639913248	0.0424999510570841
117.069572629504	"C9H8"	117.06987670736	3.36888732269624	2.59740476844203
117.069742846604	"C9H8"	117.06987670736	1.91490980541242	1.14342612941356
117.070083035453	"C9H8"	117.06987670736	0.990949465277487	1.76243538306623
119.049041072813	"C8H6O"	119.04914126586	1.61309474232647	0.841610833463941
119.085478343665	"C9H10"	119.08552677116	1.17814571129887	0.406661466893596
121.028406955477	"C7H4O2"	121.02840582436	0.762138685010039	0.00934588037431393
121.028559025627	"C7H4O2"	121.02840582436	0.494343474380556	1.2658290090465
121.028559025773	"C7H4O2"	121.02840582436	0.49434468072811	1.26583021539405
121.064480614559	"C8H8O"	121.06479132966	3.33800169223651	2.56651911411759
121.064772496781	"C8H8O"	121.06479132966	0.927044769004804	0.155560330847126
121.064839051124	"C8H8O"	121.06479132966	0.377303668240503	0.394181194019159
121.101133005817	"C9H12"	121.10117683496	1.13340597227909	0.361921693424699
123.044127955122	"C7H6O2"	123.04405588816	0.185784534949134	0.585700475091766
123.044311353059	"C7H6O2"	123.04405588816	1.30472058698086	2.07620674688039
123.044312115776	"C7H6O2"	123.04405588816	1.31091931316403	2.08240547779882
123.08040073282	"C8H10O"	123.08044139346	1.10184255966829	0.330358256357986
123.080583711079	"C8H10O"	123.08044139346	0.384812149861727	1.15629760003515
123.080584214953	"C8H10O"	123.08044139346	0.38890600589622	1.16039145930252
123.116871592357	"C9H14"	123.11682689876	0.408467059606618	0.363017778564131
125.059595214589	"C7H8O2"	125.05970595196	1.65695989747293	0.885476022511153
125.059596220818	"C7H8O2"	125.05970595196	1.64891391487979	0.87743003366822
125.059782634153	"C7H8O2"	125.05970595196	0.158320363837114	0.613164667335975
125.059782634211	"C7H8O2"	125.05970595196	0.158319899988998	0.61316513118409
125.096198635223	"C8H12O"	125.09609145726	0.0852798625176126	0.856765081577565
127.075190047638	"C7H10O2"	127.07535601576	2.07754419985918	1.30606064932025
127.075382018668	"C7H10O2"	127.07535601576	0.56685882462213	0.204625891410509
127.075574244373	"C7H10O2"	127.07535601576	0.945830675085174	1.71731655806531
129.09108390255	"C7H12O2"	129.09100607956	0.168631328339575	0.602853694901326
131.049175570564	"C9H6O"	131.04914126586	0.509714986706681	0.261769773312007
131.049376883118	"C9H6O"	131.04914126586	1.02644463042826	1.79793057568662
133.064927298151	"C9H8O"	133.06479132966	0.250336351211823	1.02182169769629
135.044116878167	"C8H6O2"	135.04405588816	0.319854461932368	0.451630444592379
135.044203360548	"C8H6O2"	135.04405588816	0.320546285208052	1.09203168589875
135.044327465856	"C8H6O2"	135.04405588816	1.23954424801883	2.01103035754722
135.080555334188	"C9H10O"	135.08044139346	0.0720175722814306	0.84350278118667
137.059611	"C8H8O2"	137.05970595196	1.4642621042632	0.692778080641059
137.059829579825	"C8H8O2"	137.05970595196	0.130514820569244	0.90200007450193
137.096008386905	"C9H12O"	137.09609145726	1.37741205051386	0.60592795987589
137.096008386934	"C9H12O"	137.09609145726	1.37741183905529	0.605927748417319
137.0962229778	"C9H12O"	137.09609145726	0.187845771027137	0.959331069259402
137.096223261009	"C9H12O"	137.09609145726	0.189911539247708	0.961396839138472
137.132634373636	"C10H16"	137.13247696256	0.376390533578859	1.14787597722877
139.075436413401	"C8H10O2"	139.07535601576	0.193398107200187	0.578086896938466
139.075437251552	"C8H10O2"	139.07535601576	0.187371515920322	0.584113492918656
139.075438077895	"C8H10O2"	139.07535601576	0.181429827829847	0.590055185505093
139.075657338995	"C8H10O2"	139.07535601576	1.39513223978011	2.16661846947731
139.111759045347	"C9H14O"	139.11174152106	0.645511917232047	0.125972738153041
139.111759327331	"C9H14O"	139.11174152106	0.643484886310294	0.127999770504954
141.069714774956	"C11H8"	141.06987670736	1.91937156888366	1.14788789635079
141.09107540126	"C8H12O2"	141.09100607956	0.280158792853567	0.491326144286016
141.127515919829	"C9H16O"	141.12739158486	0.109527070302526	0.881012308136338
143.106736833058	"C8H14O2"	143.10665614336	0.207641911591673	0.563843081585299
143.106747317844	"C8H14O2"	143.10665614336	0.134376431049012	0.637108618531804
122.031729582056	"C7H4O2"	122.03176082436	1.02750216922641	0.256017808634792
122.031910477811	"C7H4O2"	122.03176082436	0.454862865967863	1.22634837023555
122.031910477811	"C7H4O2"	122.03176082436	0.454862865967863	1.22634837023555
122.068097517923	"C8H8O"	122.06814632966	1.17135709498149	0.399872845375484
122.068097517923	"C8H8O"	122.06814632966	1.17135709498149	0.399872845375484
122.068097517923	"C8H8O"	122.06814632966	1.17135709498149	0.399872845375484
122.104664227996	"C9H12"	122.10453183496	0.312774411413287	1.08425980598551
132.0524023	"C9H6O"	132.05249626586	1.4830635902409	0.711579581090286
132.0524023	"C9H6O"	132.05249626586	1.4830635902409	0.711579581090286
138.062769711912	"C8H8O2"	138.06306095196	2.88095411004656	2.10947117927005
138.063314108629	"C8H8O2"	138.06306095196	1.06214474082708	1.83363071360192
145.0647978	"C10H8O"	145.06479132966	0.23160805451764	0.0446031041565306
145.064798137177	"C10H8O"	145.06479132966	0.23393237493311	0.046927424180152
145.064798431228	"C10H8O"	145.06479132966	0.235959407543264	0.0489544563984574
145.101146559638	"C11H12"	145.10117683496	0.0216448313083043	0.208649734276678
145.101147975532	"C11H12"	145.10117683496	0.0118868522403385	0.198891756971589
145.101380561463	"C11H12"	145.10117683496	1.59103587787737	1.40403067326132
147.044179044524	"C9H6O2"	147.04405588816	1.02455248016907	0.837547381658829
147.080316009467	"C10H10O"	147.08044139346	0.665481053246733	0.852485835783122
147.080316611482	"C10H10O"	147.08044139346	0.661387952119774	0.84839273542912
147.080316883342	"C10H10O"	147.08044139346	0.659539575523873	0.846544359219698
147.116706878527	"C11H14"	147.11682689876	0.628811018593558	0.815815807942072
149.059468904565	"C9H8O2"	149.05970595196	1.40328022491653	1.59028486943581
149.059955264357	"C9H8O2"	149.05970595196	1.85957260207492	1.67256734740101
149.096105311228	"C10H12O"	149.09609145726	0.279924685552824	0.0929197262252704
149.132268466222	"C11H16"	149.13247696256	1.21105657506476	1.39806125557997
149.132268748331	"C11H16"	149.13247696256	1.2091649075899	1.39616958848627
149.132512576788	"C11H16"	149.13247696256	0.425814324006438	0.238809337419294
151.038974157049	"C8H6O3"	151.03897051046	0.211148311679211	0.0241433651827133
151.038974157078	"C8H6O3"	151.03897051046	0.211148503617381	0.0241435571208835
151.075099630601	"C9H10O2"	151.07535601576	1.51006341997452	1.6970680445913
151.075347279301	"C9H10O2"	151.07535601576	0.129176445846273	0.0578284852332326
151.075347569279	"C9H10O2"	151.07535601576	0.131095872285796	0.0559090591699681
151.075348189833	"C9H10O2"	151.07535601576	0.135203452335112	0.0518014798731703
151.075348501832	"C9H10O2"	151.07535601576	0.137268640647124	0.0497362919374166
151.075349373157	"C9H10O2"	151.07535601576	0.143036127768892	0.0439688059444243
151.111735640747	"C10H14O"	151.11174152106	0.148091261089388	0.03891367357704
153.054619927045	"C8H8O3"	153.05462057426	0.182776287362526	0.00422865389591792
153.054620565435	"C8H8O3"	153.05462057426	0.186947282676669	5.76593245611096e-05
153.090962015696	"C9H12O2"	153.09100607956	0.10082301980466	0.287827907977257
153.127316094464	"C10H16O"	153.12739158486	0.305985954931795	0.492990804706826
153.127570993099	"C10H16O"	153.12739158486	1.35863250445293	1.17162734341284
153.127571565923	"C10H16O"	153.12739158486	1.36237333824271	1.17536817646018
155.070453044212	"C8H10O3"	155.07027063806	1.36328576843742	1.17628060647648
155.106737838899	"C9H14O2"	155.10665614336	0.713710605662689	0.526705565230902
155.106738159445	"C9H14O2"	155.10665614336	0.715777222739794	0.528772181941527
155.106738473722	"C9H14O2"	155.10665614336	0.717803422435552	0.530798381270805
157.08579578477	"C8H12O3"	157.08592070186	0.608210267633585	0.795215060949788
157.085946439803	"C8H12O3"	157.08592070186	0.3508512478044	0.163846275185597
157.085947048667	"C8H12O3"	157.08592070186	0.354727242065349	0.167722268722821
157.121883176681	"C9H16O2"	157.12230620716	2.50535980447118	2.69236424292772
157.12214778151	"C9H16O2"	157.12230620716	0.821290337388313	1.00829509077275
157.122412358733	"C9H16O2"	157.12230620716	0.862603432131068	0.675598363818745
157.122412358791	"C9H16O2"	157.12230620716	0.86260380132568	0.675598733013358
159.080393298643	"C11H10O"	159.08044139346	0.1153252853055	0.302330170713288
161.059565775509	"C10H8O2"	161.05970595196	0.683333647173868	0.870338426347772
161.059841052847	"C10H8O2"	161.05970595196	1.02582996920003	0.838824870444545
161.096053241534	"C11H12O"	161.09609145726	0.050218275521541	0.237223173124809
163.038746167739	"C9H6O3"	163.03897051046	1.1890020473964	1.37600673198062
163.03874778808	"C9H6O3"	163.03897051046	1.17906367918065	1.36606836568244
163.039025195836	"C9H6O3"	163.03897051046	0.522417917451159	0.335412912806903
163.039025865484	"C9H6O3"	163.03897051046	0.526525206383673	0.339520200867794
163.039028106743	"C9H6O3"	163.03897051046	0.540271977316634	0.35326696936021
163.039028106758	"C9H6O3"	163.03897051046	0.540272069360042	0.353267061403619
163.039029044666	"C9H6O3"	163.03897051046	0.546024732017276	0.35901972284058
163.075347751637	"C10H10O2"	163.07535601576	0.136328219506617	0.0506767129792754
163.075348431731	"C10H10O2"	163.07535601576	0.140498648127701	0.0465062852296196
163.075348762482	"C10H10O2"	163.07535601576	0.142526858190597	0.0444780755152955
163.075349063808	"C10H10O2"	163.07535601576	0.14437463005048	0.0426303040039832
163.075627543535	"C10H10O2"	163.07535601576	1.85205006227625	1.66504480893031
163.111683131241	"C11H14O"	163.11174152106	0.17096947104674	0.357974346043198
163.111683432606	"C11H14O"	163.11174152106	0.169121872304544	0.356126747649495
165.054632733924	"C9H8O3"	165.05462057426	0.260675501465258	0.0736705457816718
165.054633050795	"C9H8O3"	165.05462057426	0.262595296566792	0.0755903405388142
165.054917933159	"C9H8O3"	165.05462057426	1.98858404085715	1.80157876196208
165.091062684938	"C10H12O2"	165.09100607956	0.529878790419471	0.342873784286866
165.091063019601	"C10H12O2"	165.09100607956	0.531905933206439	0.344900926729518
165.091063637205	"C10H12O2"	165.09100607956	0.535646925099767	0.348641917934215
165.091063637292	"C10H12O2"	165.09100607956	0.535647452074885	0.348642444909333
165.127220211145	"C11H16O"	165.12739158486	0.850822552299703	1.03782730024812
167.069883439913	"C9H10O3"	167.07027063806	2.13057207465886	2.31757658329553
167.070173905161	"C9H10O3"	167.07027063806	0.391990451548053	0.578995285280784
167.070174588906	"C9H10O3"	167.07027063806	0.387897891420746	0.57490272583395
167.070464677693	"C9H10O3"	167.07027063806	1.34843042200055	1.16142526283152
167.106692449551	"C10H14O2"	167.10665614336	0.404268566397383	0.21726358381031
167.106692449667	"C10H14O2"	167.10665614336	0.404269260669057	0.217264278081984
167.142934262498	"C11H18O"	167.14304164866	0.455475779993021	0.642480601889134
169.049393451754	"C8H8O4"	169.04953519656	0.651476112132036	0.838480897376082
169.04939644615	"C8H8O4"	169.04953519656	0.633762981272238	0.820767769710688
169.085972775605	"C9H12O3"	169.08592070186	0.494977093197876	0.307972093595359
169.085973819499	"C9H12O3"	169.08592070186	0.501150843188232	0.314145842409083
169.122267864849	"C10H16O2"	169.12230620716	0.0397086064979792	0.226713506105426
169.122270213149	"C10H16O2"	169.12230620716	0.0258233865073915	0.212828288635651
169.122270213265	"C10H16O2"	169.12230620716	0.0258227005102543	0.212827602638514
171.080509850501	"C12H10O"	171.08044139346	0.587150354496429	0.400145337620699
171.080510166407	"C12H10O"	171.08044139346	0.588996889819885	0.401991872611893
171.101530018729	"C9H14O3"	171.10157076566	0.0511397953427729	0.238144692791884
171.101531079244	"C9H14O3"	171.10157076566	0.0449416335595019	0.231946532171384
171.137875509749	"C10H18O2"	171.13795627096	0.284902213203831	0.471907066994175
171.137876913025	"C10H18O2"	171.13795627096	0.276702534485926	0.463707389770943
171.137877229445	"C10H18O2"	171.13795627096	0.274853616435988	0.461858472053155
171.137877553161	"C10H18O2"	171.13795627096	0.272962066143162	0.459966922092478
173.080595889975	"C8H12O4"	173.08083532416	1.19636156027543	1.38336624361967
173.080901779109	"C8H12O4"	173.08083532416	0.570958262415132	0.383953248679144
173.095876488337	"C12H12O"	173.09609145726	1.05490041457581	1.24190512437212
173.095877135651	"C12H12O"	173.09609145726	1.0511607917443	1.23816550219739
173.132248282129	"C13H16"	173.13247696256	1.13383605657692	1.32084075149265
173.13224860212	"C13H16"	173.13247696256	1.13198781267242	1.31899250791647
173.1328603	"C13H16"	173.13247696256	2.4011332119483	2.21412785595369
148.083550145682	"C10H10O"	148.08379639346	1.47589018931293	1.66289482030857
148.083550145682	"C10H10O"	148.08379639346	1.47589018931293	1.66289482030857
148.083550145682	"C10H10O"	148.08379639346	1.47589018931293	1.66289482030857
150.099338738694	"C10H12O"	150.09944645726	0.530643181968845	0.717647989662112
152.04228982968	"C8H6O3"	152.04232551046	0.0476717282591848	0.234676626274422
152.04228982968	"C8H6O3"	152.04232551046	0.0476717282591848	0.234676626274422
152.078775254603	"C9H10O2"	152.07871101576	0.609410251510487	0.422405230501694
152.078775254603	"C9H10O2"	152.07871101576	0.609410251510487	0.422405230501694
152.078775254603	"C9H10O2"	152.07871101576	0.609410251510487	0.422405230501694
152.078775254603	"C9H10O2"	152.07871101576	0.609410251510487	0.422405230501694
152.078775254603	"C9H10O2"	152.07871101576	0.609410251510487	0.422405230501694
152.078775254603	"C9H10O2"	152.07871101576	0.609410251510487	0.422405230501694
152.115022338309	"C10H14O"	152.11509652106	0.300670289311685	0.487675140097821
154.057848301939	"C8H8O3"	154.05797557426	0.639127845537439	0.826132633087455
154.057848301939	"C8H8O3"	154.05797557426	0.639127845537439	0.826132633087455
154.094290985006	"C9H12O2"	154.09436107956	0.267875863536499	0.454880720484245
154.130490423154	"C10H16O"	154.13074658486	1.47497204573425	1.66197667682257
154.130490423154	"C10H16O"	154.13074658486	1.47497204573425	1.66197667682257
154.130490423154	"C10H16O"	154.13074658486	1.47497204573425	1.66197667682257
164.042329495914	"C9H6O3"	164.04232551046	0.211300225220136	0.0242952786874248
164.042329495914	"C9H6O3"	164.04232551046	0.211300225220136	0.0242952786874248
164.042350246799	"C9H6O3"	164.04232551046	0.337797388683429	0.150792418587577
164.042350246799	"C9H6O3"	164.04232551046	0.337797388683429	0.150792418587577
164.042350246799	"C9H6O3"	164.04232551046	0.337797388683429	0.150792418587577
164.042350246799	"C9H6O3"	164.04232551046	0.337797388683429	0.150792418587577
164.042350246799	"C9H6O3"	164.04232551046	0.337797388683429	0.150792418587577
164.078703575507	"C10H10O2"	164.07871101576	0.141659300626031	0.0453456329240267
164.078703575507	"C10H10O2"	164.07871101576	0.141659300626031	0.0453456329240267
164.078703575507	"C10H10O2"	164.07871101576	0.141659300626031	0.0453456329240267
164.078703575507	"C10H10O2"	164.07871101576	0.141659300626031	0.0453456329240267
164.078703575507	"C10H10O2"	164.07871101576	0.141659300626031	0.0453456329240267
164.115092017902	"C11H14O"	164.11509652106	0.159565913231019	0.0274390236212101
164.115092017902	"C11H14O"	164.11509652106	0.159565913231019	0.0274390236212101
166.05809385444	"C9H8O3"	166.05797557426	0.899287514917901	0.712282439712346
166.05809385444	"C9H8O3"	166.05797557426	0.899287514917901	0.712282439712346
166.05809385444	"C9H8O3"	166.05797557426	0.899287514917901	0.712282439712346
166.094148326901	"C10H12O2"	166.09436107956	1.09390969829299	1.28091440078442
166.094148326901	"C10H12O2"	166.09436107956	1.09390969829299	1.28091440078442
166.094148326901	"C10H12O2"	166.09436107956	1.09390969829299	1.28091440078442
166.094148326901	"C10H12O2"	166.09436107956	1.09390969829299	1.28091440078442
168.073832371366	"C9H10O3"	168.07362563806	1.41702151281288	1.23001634076821
168.073832371366	"C9H10O3"	168.07362563806	1.41702151281288	1.23001634076821
168.073832371366	"C9H10O3"	168.07362563806	1.41702151281288	1.23001634076821
168.110096210011	"C10H14O2"	168.11001114336	0.693022794939735	0.506017758357209
168.110096210011	"C10H14O2"	168.11001114336	0.693022794939735	0.506017758357209
170.089422178279	"C9H12O3"	170.08927570186	1.04817885064429	0.861173747645385
170.089422178279	"C9H12O3"	170.08927570186	1.04817885064429	0.861173747645385
170.125448166927	"C10H16O2"	170.12566120716	1.06524748909472	1.25225219696461
170.125448166927	"C10H16O2"	170.12566120716	1.06524748909472	1.25225219696461
170.125448166927	"C10H16O2"	170.12566120716	1.06524748909472	1.25225219696461
172.104822618375	"C9H14O3"	172.10492576566	0.412323077294344	0.599327907263285
172.104822618375	"C9H14O3"	172.10492576566	0.412323077294344	0.599327907263285
175.075546676806	"C11H10O2"	175.07535601576	1.57711869095567	1.08902275186023
175.111612481644	"C12H14O"	175.11174152106	0.248802517579896	0.736897565454639
175.111613136819	"C12H14O"	175.11174152106	0.245061047662331	0.733156097322441
175.147998308558	"C13H18"	175.14812702636	0.246813192422882	0.7349082412964
175.147999717578	"C13H18"	175.14812702636	0.238768455050221	0.726863507818276
175.147999717724	"C13H18"	175.14812702636	0.238767621456829	0.726862674224884
175.148310441846	"C13H18"	175.14812702636	1.53529801629823	1.04720209764457
177.05459583337	"C10H8O3"	177.05462057426	0.348359420929876	0.139735918396306
177.090640294028	"C11H12O2"	177.09100607956	1.57742852087035	2.06552292015922
177.090957255896	"C11H12O2"	177.09100607956	0.212397115979836	0.275698157028086
177.127013874068	"C12H16O"	177.12739158486	1.64433014764691	2.1324245143602
177.127330536075	"C12H16O"	177.12739158486	0.143434910622448	0.344660328667667
177.127330871385	"C12H16O"	177.12739158486	0.145327955922045	0.342767284330825
177.1633986	"C13H20"	177.16377709016	1.64829133567939	2.1363857004719
177.163714368589	"C13H20"	177.16377709016	0.134063659997573	0.354031574786151
177.163715031585	"C13H20"	177.16377709016	0.137805939174156	0.350289297374256
177.163715381495	"C13H20"	177.16377709016	0.139781005173288	0.348314232337682
179.0702823	"C10H10O3"	179.07027063806	0.553220375796878	0.0651249364380387
179.070335262278	"C10H10O3"	179.07027063806	0.848983059639468	0.360887476005793
179.10662494346	"C11H14O2"	179.10665614336	0.313897999645619	0.174197322865418
179.106626007619	"C11H14O2"	179.10665614336	0.319839484773753	0.16825584059363
179.14297825563	"C12H18O"	179.14304164866	0.13422701074633	0.353868223998
179.142978255892	"C12H18O"	179.14304164866	0.134228473216293	0.353866761528037
179.142978948689	"C12H18O"	179.14304164866	0.138095759106296	0.349999477541878
179.143301	"C12H18O"	179.14304164866	1.93582937599084	1.44773326182896
179.143301035373	"C12H18O"	179.14304164866	1.93602683291663	1.44793071859609
181.049635523905	"C9H8O4"	181.04953519656	1.04223874677015	0.554143068717744
181.121900070031	"C11H16O2"	181.12230620716	1.75424202584743	2.24233633896216
181.122227868664	"C11H16O2"	181.12230620716	0.0555780888539829	0.432517107563338
181.158541822123	"C12H20O"	181.15869171246	0.339302984303676	0.827397987899543
183.080265933829	"C13H10O"	183.08044139346	0.470279584941815	0.958374524738048
183.0805983	"C13H10O"	183.08044139346	1.34513188483171	0.857036059071394
183.101540976288	"C10H14O3"	183.10157076566	0.325402174346796	0.162693153765989
183.101541686054	"C10H14O3"	183.10157076566	0.329278527438447	0.158816802537023
183.137787042488	"C11H18O2"	183.13795627096	0.435954188966074	0.924049145515437
185.080698695242	"C9H12O4"	185.08083532416	0.250117084669296	0.738212131799146
185.081036963993	"C9H12O4"	185.08083532416	1.57756494157478	1.08946900223947
185.117196150203	"C10H16O3"	185.11722082946	0.354778426313144	0.133316916085712
185.153365518928	"C11H20O2"	185.15360633476	0.812532510589009	1.30062728330262
185.15370431283	"C11H20O2"	185.15360633476	1.01726748117419	0.529171815377754
185.15370575437	"C11H20O2"	185.15360633476	1.0250531287046	0.536957459070574
187.0756398	"C12H10O2"	187.07535601576	2.00504763761256	1.51695148971449
187.096242074815	"C9H14O4"	187.09648538796	0.812374044162327	1.30046881694015
187.096584719501	"C9H14O4"	187.09648538796	1.01900644669763	0.530910780085066
187.096585874517	"C9H14O4"	187.09648538796	1.0251798205362	0.537084150885448
187.111354631899	"C13H14O"	187.11174152106	1.57959605158757	2.06769044989769
189.09044750283	"C12H12O2"	189.09100607956	2.46591607206236	2.95401003778927
189.091144991185	"C12H12O2"	189.09100607956	1.22272417528639	0.73462840918175
189.127435633917	"C13H16O"	189.12739158486	0.721002328819451	0.232906807632771
191.070268815373	"C11H10O3"	191.07027063806	0.478556048502808	0.00953935431719782
191.106423618302	"C12H14O2"	191.10665614336	0.728634434273902	1.21672924796266
191.106424400424	"C12H14O2"	191.10665614336	0.724541838022057	1.2126366536442
191.106424400511	"C12H14O2"	191.10665614336	0.724541382784891	1.21263619840703
191.106425115313	"C12H14O2"	191.10665614336	0.720801050866582	1.20889586827338
191.142944475175	"C13H18O"	191.14304164866	0.0202858110269772	0.508380970346822
193.049309403287	"C10H8O4"	193.04953519656	0.68151830315227	1.16961313975242
193.049669336381	"C10H8O4"	193.04953519656	1.18294238719486	0.694846640597248
193.085668574628	"C11H12O3"	193.08592070186	0.817682632490644	1.30577740262027
193.08566932306	"C11H12O3"	193.08592070186	0.813806470170882	1.30190124221408
193.122037213345	"C12H16O2"	193.12230620716	0.904772933588966	1.39286766126175
193.12203760483	"C12H16O2"	193.12230620716	0.90274579747363	1.3908405261766
193.122038327259	"C12H16O2"	193.12230620716	0.899005010952851	1.38709974142185
193.158416876848	"C13H20O"	193.15869171246	0.93475408328801	1.42284879632973
193.158777480649	"C13H20O"	193.15869171246	0.932125288371663	0.444029664081038
193.158778623119	"C13H20O"	193.15869171246	0.938039961500735	0.449944334414418
193.159138101845	"C13H20O"	193.15869171246	2.79909471549564	2.31099817995611
195.065107	"C10H10O4"	195.06518526036	0.0868941469977455	0.401201064629947
195.06510701891	"C10H10O4"	195.06518526036	0.0869910890269552	0.401104122746441
195.065107019056	"C10H10O4"	195.06518526036	0.0869918375066039	0.401103374266792
195.101305796369	"C11H14O3"	195.10157076566	0.870014726141773	1.35810947072271
195.101306595016	"C11H14O3"	195.10157076566	0.865921230548361	1.35401597716877
195.101306955531	"C11H14O3"	195.10157076566	0.864073397425165	1.35216814491963
195.101673011887	"C11H14O3"	195.10157076566	1.01216231534295	0.524066651980471
195.137880437045	"C12H18O2"	195.13795627096	0.0994782801949129	0.388616937679763
195.137880797773	"C12H18O2"	195.13795627096	0.101326860411975	0.386768358336597
195.137881167072	"C12H18O2"	195.13795627096	0.103219363510008	0.38487585611246
195.174098672467	"C13H22O"	195.17434177626	0.757477701401122	1.2455725008942
195.174464925586	"C13H22O"	195.17434177626	1.11906659444493	0.630970878988456
197.095936886287	"C14H12O"	197.09609145726	0.296146671063617	0.784241695776268
197.117101322122	"C11H16O3"	197.11722082946	0.118180369974241	0.606275481573011
197.117102086062	"C11H16O3"	197.11722082946	0.114304806184338	0.602399919657537
197.153501295288	"C12H20O2"	197.15360633476	0.0446847186949027	0.532779866200145
197.153501667965	"C12H20O2"	197.15360633476	0.0427944303521019	0.530889578722305
197.1535020573	"C12H20O2"	197.15360633476	0.0408196494095953	0.52891479878892
197.189594388953	"C13H24O"	197.18999184006	1.52748001444784	2.01557443811793
199.096425160656	"C10H14O4"	199.09648538796	0.185592159947071	0.302503099876914
199.096425978722	"C10H14O4"	199.09648538796	0.189701054232486	0.298394207590047
199.096426389748	"C10H14O4"	199.09648538796	0.191765511460977	0.29632975136083
199.096426389777	"C10H14O4"	199.09648538796	0.191765657212246	0.296329605609561
199.13262185615	"C11H18O3"	199.13287089326	0.7625129447613	1.25060774184656
199.132998567627	"C11H18O3"	199.13287089326	1.12924736181906	0.641151641287761
199.132999312453	"C11H18O3"	199.13287089326	1.13298771033186	0.644891988087834
199.168827191644	"C12H22O2"	199.16925639856	1.66689142766855	2.15498578330395
199.169204374221	"C12H22O2"	199.16925639856	0.226888606196865	0.261206673857479
199.169205565725	"C12H22O2"	199.16925639856	0.232870978113433	0.255224304794936
201.1118374	"C10H16O4"	201.11213545176	0.993923093165771	1.48201777736708
201.11183742187	"C10H16O4"	201.11213545176	0.993814347894051	1.48190903209536
201.11222133208	"C10H16O4"	201.11213545176	0.915122656390843	0.427027040448994
201.112221332138	"C10H16O4"	201.11213545176	0.915122944830468	0.427027328888619
201.127530486583	"C14H16O"	201.12739158486	1.17871138827569	0.690615643701327
203.1067260631	"C13H14O2"	203.10665614336	0.832346922822993	0.344251347254961
203.142875188634	"C14H18O"	203.14304164866	0.33132772344163	0.819422731042801
203.179013842862	"C15H22"	203.17942715396	1.54612284741557	2.03421726207404
176.114988480169	"C12H14O"	176.11509652106	0.125372409187932	0.613467517215949
176.114988480169	"C12H14O"	176.11509652106	0.125372409187932	0.613467517215949
180.109548958183	"C11H14O2"	180.11001114336	2.07803292512186	2.56612708006334
180.109548958183	"C11H14O2"	180.11001114336	2.07803292512186	2.56612708006334
182.125659378633	"C11H16O2"	182.12566120716	0.478055483073374	0.0100399195706221
182.125659378633	"C11H16O2"	182.12566120716	0.478055483073374	0.0100399195706221
184.14093655924	"C11H18O2"	184.14131127096	1.54681951888934	2.03491393321113
186.120659441291	"C10H16O3"	186.12057582946	0.937330380278179	0.449234753488673
190.094427496074	"C12H12O2"	190.09436107956	0.837482659368174	0.349387081294277
192.073289242579	"C11H10O3"	192.07362563806	1.26329364486071	1.75138819760683
192.110086432852	"C12H14O2"	192.11001114336	0.8800038161856	0.391908217351855
192.110086432852	"C12H14O2"	192.11001114336	0.8800038161856	0.391908217351855
192.110086432852	"C12H14O2"	192.11001114336	0.8800038161856	0.391908217351855
192.110086432852	"C12H14O2"	192.11001114336	0.8800038161856	0.391908217351855
194.052738134241	"C10H8O4"	194.05289019656	0.295517725310321	0.783612750291858
194.052738134241	"C10H8O4"	194.05289019656	0.295517725310321	0.783612750291858
194.089019073039	"C11H12O3"	194.08927570186	0.83412574734041	1.32222050949582
194.089019073039	"C11H12O3"	194.08927570186	0.83412574734041	1.32222050949582
194.125307872791	"C12H16O2"	194.12566120716	1.33203769199332	1.82013221118632
194.125307872791	"C12H16O2"	194.12566120716	1.33203769199332	1.82013221118632
194.125307872791	"C12H16O2"	194.12566120716	1.33203769199332	1.82013221118632
196.068471335955	"C10H10O4"	196.06854026036	0.136563037478786	0.351532198495888
196.068471335955	"C10H10O4"	196.06854026036	0.136563037478786	0.351532198495888
196.068471335955	"C10H10O4"	196.06854026036	0.136563037478786	0.351532198495888
196.141070519234	"C12H18O2"	196.14131127096	0.739345369329162	1.22744017781141
196.141070519234	"C12H18O2"	196.14131127096	0.739345369329162	1.22744017781141
196.141070519234	"C12H18O2"	196.14131127096	0.739345369329162	1.22744017781141
198.099316239164	"C14H12O"	198.09944645726	0.169241914147356	0.657337000776378
198.120642908004	"C11H16O3"	198.12057582946	0.826669916727958	0.338574343989283
198.120642908004	"C11H16O3"	198.12057582946	0.826669916727958	0.338574343989283
200.099945817696	"C10H14O4"	200.09984038796	1.01498132237499	0.526885657707169
200.099945817696	"C10H14O4"	200.09984038796	1.01498132237499	0.526885657707169
200.099945817696	"C10H14O4"	200.09984038796	1.01498132237499	0.526885657707169
200.099945817696	"C10H14O4"	200.09984038796	1.01498132237499	0.526885657707169
200.136035000942	"C11H18O3"	200.13622589326	0.465716978515561	0.953811920537116
200.136035000942	"C11H18O3"	200.13622589326	0.465716978515561	0.953811920537116
200.136035000942	"C11H18O3"	200.13622589326	0.465716978515561	0.953811920537116
202.115229039964	"C10H16O4"	202.11549045176	0.805283556204988	1.29337833245383
202.115229039964	"C10H16O4"	202.11549045176	0.805283556204988	1.29337833245383
202.115229039964	"C10H16O4"	202.11549045176	0.805283556204988	1.29337833245383
202.115229039964	"C10H16O4"	202.11549045176	0.805283556204988	1.29337833245383
204.109470048704	"C13H14O2"	204.11001114336	2.16290106769228	2.65099518132136
204.146258334786	"C14H18O"	204.14639664866	0.189427898097286	0.677522974914368
204.18266549657	"C15H22"	204.18278215396	0.0832429086999016	0.571338037314818
205.085738556457	"C12H12O3"	205.08592070186	0.00168092290306923	0.888141918241238
205.085741375682	"C12H12O3"	205.08592070186	0.0120656449181373	0.874395362615459
205.122003913835	"C13H16O2"	205.12230620716	0.587261863355211	1.47372233959399
205.158277263762	"C14H20O"	205.15869171246	1.13367717402272	2.02013716584151
205.15867079764	"C14H20O"	205.15869171246	0.784517096065776	0.101944596273139
205.158671202293	"C14H20O"	205.15869171246	0.786489487862836	0.0999722061385015
207.065405522783	"C11H10O4"	207.06518526036	1.95019742690874	1.06373470133323
207.101395772749	"C12H14O3"	207.10157076566	0.0414992578121398	0.844961775839516
207.101396575707	"C12H14O3"	207.10157076566	0.0453763831026614	0.841084653979885
207.137794594515	"C13H18O2"	207.13795627096	0.105935648043261	0.780525442627865
207.13779459501	"C13H18O2"	207.13795627096	0.105938037855935	0.780523052815192
207.137795825512	"C13H18O2"	207.13795627096	0.111878538207638	0.774582557814737
207.137796217575	"C13H18O2"	207.13795627096	0.113771302501732	0.772689795167182
207.137796217721	"C13H18O2"	207.13795627096	0.113772007357201	0.772689090311712
207.173806140478	"C14H22O"	207.17434177626	1.69897544976497	2.58543494048611
209.044265184133	"C10H8O5"	209.04444981886	0.00322909782451113	0.883231901884052
209.059679718072	"C14H8O2"	209.05970595196	0.760976524042892	0.125485147356602
209.080771734896	"C11H12O4"	209.08083532416	0.582324293060692	0.304137220025851
209.080771735071	"C11H12O4"	209.08083532416	0.582325130157437	0.304136382929106
209.080772175221	"C11H12O4"	209.08083532416	0.58443029851562	0.302031216338097
209.080773	"C11H12O4"	209.08083532416	0.588375087291849	0.298086431096217
209.116883794103	"C12H16O3"	209.11722082946	0.72524506028754	1.61170541416627
209.116884180701	"C12H16O3"	209.11722082946	0.723396344323761	1.60985669983344
209.116885382019	"C12H16O3"	209.11722082946	0.717651628086549	1.60411198876092
209.117288729704	"C12H16O3"	209.11722082946	1.21116150810229	0.324699437644752
209.117289585659	"C12H16O3"	209.11722082946	1.21525469448831	0.328792620361122
209.117290780975	"C12H16O3"	209.11722082946	1.2209707089298	0.334508629773839
209.15340895383	"C13H20O2"	209.15360633476	0.0572518278193127	0.943712773961358
209.153409809934	"C13H20O2"	209.15360633476	0.0531586411753714	0.939619590850536
209.153409810341	"C13H20O2"	209.15360633476	0.0531566952424938	0.939617644917658
209.153410196832	"C13H20O2"	209.15360633476	0.051308812514171	0.937769763820005
209.153410592301	"C13H20O2"	209.15360633476	0.0494180043003045	0.935878957372698
209.153411005601	"C13H20O2"	209.15360633476	0.0474419428917982	0.933902897730751
211.059857416649	"C10H10O5"	211.06009988266	0.262340032897497	1.14880079719998
211.096482130755	"C11H14O4"	211.09648538796	0.871031834148697	0.0154299348131533
211.096482949109	"C11H14O4"	211.09648538796	0.874908519958009	0.0115532525044422
211.132704705632	"C12H18O3"	211.13287089326	0.0993376621599484	0.787123422770219
211.132704705894	"C12H18O3"	211.13287089326	0.0993389031781666	0.787122181752001
211.13270513386	"C12H18O3"	211.13287089326	0.101365903235835	0.785095183444331
211.132705524301	"C12H18O3"	211.13287089326	0.103215171688518	0.783245916607031
211.16893742342	"C13H22O2"	211.16925639856	0.624058395319041	1.51051883898435
211.169071837655	"C13H22O2"	211.16925639856	0.0124658621811931	0.873995145694111
213.111838165792	"C11H16O4"	213.11213545176	0.508513829169812	1.39497437521627
213.111838606061	"C11H16O4"	213.11213545176	0.506447924211212	1.39290847212478
213.111839432109	"C11H16O4"	213.11213545176	0.502571801757347	1.38903235313841
213.111868075664	"C11H16O4"	213.11213545176	0.368165657696311	1.25462632817236
213.148164019479	"C12H20O3"	213.14852095706	0.788135328308807	1.6745956264964
213.14816441353	"C12H20O3"	213.14852095706	0.78628661108984	1.67274691087754
213.148582398839	"C12H20O3"	213.14852095706	1.17472009761556	0.288258059444571
213.184915977759	"C13H24O2"	213.18490646236	0.931096309530919	0.0446344873011579
215.127422324474	"C11H18O4"	215.12778551556	0.80179716114566	1.68825744719466
215.127844902766	"C11H18O4"	215.12778551556	1.16251751617179	0.276055488840834
217.121904200937	"C14H16O2"	217.12230620716	0.965059539129254	1.85151968040903
217.122333915963	"C14H16O2"	217.12230620716	1.01408030349799	0.12761840774085
217.1223343268	"C14H16O2"	217.12230620716	1.01597249679764	0.12951059933878
217.158400021856	"C15H20O"	217.15869171246	0.456753449782502	1.3432140417736
217.158830696782	"C15H20O"	217.15869171246	1.52647505626486	0.640012706294855
219.101161038611	"C13H14O3"	219.10157076566	0.983572333391695	1.8700324583331
219.137723042578	"C14H18O2"	219.13795627096	0.177838499812461	1.0642993389636
219.137723457462	"C14H18O2"	219.13795627096	0.17594524327353	1.06240608411074
219.174292944745	"C15H22O"	219.17434177626	0.66366399570649	0.222797589447282
221.080695673679	"C12H12O4"	221.08083532416	0.254789640703607	0.631671582018452
221.116873599366	"C13H16O3"	221.11722082946	0.683883577642658	1.57034396825793
221.153498294039	"C14H20O2"	221.15360633476	0.397928863853736	0.48853248566626
221.189691088034	"C15H24O"	221.18999184006	0.473239395983575	1.35969997327116
221.190133378424	"C15H24O"	221.18999184006	1.5263573235424	0.639894973672431
223.074691790747	"C15H10O2"	223.07535601576	2.09112217680127	2.97758131987558
223.075110179914	"C15H10O2"	223.07535601576	0.215569693743196	1.10203049949919
223.075114838962	"C15H10O2"	223.07535601576	0.194684140891996	1.08114496512223
223.09612279522	"C12H14O4"	223.09648538796	0.738812863865771	1.62527320577542
223.096123660197	"C12H14O4"	223.09648538796	0.734935717272502	1.62139606262186
223.132794410047	"C13H18O3"	223.13287089326	0.543691663335514	0.342769815459039
223.169028076179	"C14H22O2"	223.16925639856	0.136629780643497	1.02309065641098
223.169028517018	"C14H22O2"	223.16925639856	0.134654421700949	1.02111529912404
223.1690289	"C14H22O2"	223.16925639856	0.132938314644793	1.01939919359615
225.075783832446	"C11H12O5"	225.07574994646	1.03701561192284	0.150553695844466
225.112038668167	"C12H16O4"	225.11213545176	0.456526370246511	0.429935031267486
225.112039589733	"C12H16O4"	225.11213545176	0.460620182519244	0.425841222656171
225.112040005725	"C12H16O4"	225.11213545176	0.462468116482127	0.423993290334613
225.148302261493	"C13H20O3"	225.14852095706	0.084878201841258	0.971339123419449
225.1483031034	"C13H20O3"	225.14852095706	0.0811388580025327	0.967599782862844
225.184575869872	"C14H24O2"	225.18490646236	0.581632976799634	1.46809345797619
227.127382267807	"C12H18O4"	227.12778551556	0.888962168854	1.77542237762495
227.127382687583	"C12H18O4"	227.12778551556	0.887113974150936	1.77357418454865
227.127878381111	"C12H18O4"	227.12778551556	1.29533132331812	0.408869178203138
227.163675302016	"C13H22O3"	227.16417102086	1.29574539038637	2.1822052385269
229.122456513599	"C15H16O2"	229.12230620716	1.5424719927201	0.656009628589352
229.143400253236	"C12H20O4"	229.14343557936	0.732295658598941	0.154165987356109
229.143400253673	"C12H20O4"	229.14343557936	0.732297565754619	0.154164080200432
229.143401110495	"C12H20O4"	229.14343557936	0.736036807786408	0.150424841517576
231.137308283031	"C15H18O2"	231.13795627096	1.91700898384017	2.80346828125518
231.138251377798	"C15H18O2"	231.13795627096	2.16321919790825	1.27675628349932
233.117227402223	"C14H16O3"	233.11722082946	0.914656906088738	0.0281950984803742
233.1530547	"C15H20O2"	233.15360633476	1.47951169589796	2.36597138115342
233.153532445899	"C15H20O2"	233.15360633476	0.56955085137648	0.316910650329077
208.140734794865	"C13H18O2"	208.14131127096	1.88317872020336	2.76963804761896
208.140734794865	"C13H18O2"	208.14131127096	1.88317872020336	2.76963804761896
208.140734794865	"C13H18O2"	208.14131127096	1.88317872020336	2.76963804761896
208.140734794865	"C13H18O2"	208.14131127096	1.88317872020336	2.76963804761896
208.140734794865	"C13H18O2"	208.14131127096	1.88317872020336	2.76963804761896
210.062734721034	"C14H8O2"	210.06306095196	0.666553839053613	1.55301424506713
210.083979167979	"C11H12O4"	210.08419032416	0.118641780184784	1.00510267178895
210.083979167979	"C11H12O4"	210.08419032416	0.118641780184784	1.00510267178895
210.083979167979	"C11H12O4"	210.08419032416	0.118641780184784	1.00510267178895
210.083979167979	"C11H12O4"	210.08419032416	0.118641780184784	1.00510267178895
210.120351012317	"C12H16O3"	210.12057582946	0.183482659441714	1.06994349365897
210.120351012317	"C12H16O3"	210.12057582946	0.183482659441714	1.06994349365897
210.120351012317	"C12H16O3"	210.12057582946	0.183482659441714	1.06994349365897
210.120352607852	"C12H16O3"	210.12057582946	0.175889227037803	1.06235006788298
210.120352607852	"C12H16O3"	210.12057582946	0.175889227037803	1.06235006788298
210.120352607852	"C12H16O3"	210.12057582946	0.175889227037803	1.06235006788298
212.100156161221	"C11H14O4"	212.09984038796	2.3752584755475	1.48879537311363
212.100156161221	"C11H14O4"	212.09984038796	2.3752584755475	1.48879537311363
212.136222384055	"C12H18O3"	212.13622589326	0.869919543901935	0.0165422240933319
212.136222384055	"C12H18O3"	212.13622589326	0.869919543901935	0.0165422240933319
212.136222384055	"C12H18O3"	212.13622589326	0.869919543901935	0.0165422240933319
212.136222384055	"C12H18O3"	212.13622589326	0.869919543901935	0.0165422240933319
212.136222384055	"C12H18O3"	212.13622589326	0.869919543901935	0.0165422240933319
214.151803145384	"C12H20O3"	214.15187595706	0.54646130308974	0.340000178153895
214.151803145384	"C12H20O3"	214.15187595706	0.54646130308974	0.340000178153895
214.151803145384	"C12H20O3"	214.15187595706	0.54646130308974	0.340000178153895
216.131018714028	"C11H18O4"	216.13114051556	0.322907453110547	0.563553829924406
216.131018714086	"C11H18O4"	216.13114051556	0.322907721506433	0.56355356152852
218.124808268872	"C14H16O2"	218.12566120716	3.02384862922539	3.91030694547915
224.078179612933	"C15H10O2"	224.07871101576	1.48504105073755	2.37150073108116
224.078179612933	"C15H10O2"	224.07871101576	1.48504105073755	2.37150073108116
224.078179612933	"C15H10O2"	224.07871101576	1.48504105073755	2.37150073108116
224.09977999784	"C12H14O4"	224.09984038796	0.616982904674303	0.269478639108786
224.09977999784	"C12H14O4"	224.09984038796	0.616982904674303	0.269478639108786
224.136699374646	"C13H18O3"	224.13622589326	2.99893514051695	2.11247148530717
224.17227796171	"C14H22O2"	224.17261139856	0.600950722942109	1.48741118700085
224.17227796171	"C14H22O2"	224.17261139856	0.600950722942109	1.48741118700085
224.17227796171	"C14H22O2"	224.17261139856	0.600950722942109	1.48741118700085
226.115658150381	"C12H16O4"	226.11549045176	1.62811273857065	0.741650298542516
226.115658150381	"C12H16O4"	226.11549045176	1.62811273857065	0.741650298542516
226.115658150381	"C12H16O4"	226.11549045176	1.62811273857065	0.741650298542516
226.115658150381	"C12H16O4"	226.11549045176	1.62811273857065	0.741650298542516
226.115658150381	"C12H16O4"	226.11549045176	1.62811273857065	0.741650298542516
226.151708110935	"C13H20O3"	226.15187595706	0.144277915848729	0.742183208831159
226.151708110935	"C13H20O3"	226.15187595706	0.144277915848729	0.742183208831159
228.131137648228	"C12H18O4"	228.13114051556	0.873892983212467	0.0125687882583594
228.131137648228	"C12H18O4"	228.13114051556	0.873892983212467	0.0125687882583594
228.131137648228	"C12H18O4"	228.13114051556	0.873892983212467	0.0125687882583594
230.146484831408	"C12H20O4"	230.14679057936	0.442030447263952	1.32849105222901
230.146953774896	"C12H20O4"	230.14679057936	1.59555566246757	0.709093251281706
230.146953774896	"C12H20O4"	230.14679057936	1.59555566246757	0.709093251281706
230.146953774896	"C12H20O4"	230.14679057936	1.59555566246757	0.709093251281706
232.141187744448	"C15H18O2"	232.14131127096	0.354343562016136	0.532117748979969
232.141187744448	"C15H18O2"	232.14131127096	0.354343562016136	0.532117748979969
234.120588943507	"C14H16O3"	234.12057582946	0.942475905212593	0.0560140728629338
235.096230632649	"C13H14O4"	235.09648538796	0.331311688249821	1.08362024461755
235.132374876127	"C14H18O3"	235.13287089326	0.694587984191889	2.1095184655309
235.169150288447	"C15H22O2"	235.16925639856	0.963725409593842	0.451207418094866
235.169150733663	"C15H22O2"	235.16925639856	0.965618584835437	0.449314245512112
235.169152124204	"C15H22O2"	235.16925639856	0.97153153031254	0.443401308494957
235.205451195562	"C16H26O"	235.20564190386	0.604117168155145	0.810815150729106
237.075276506845	"C12H12O5"	237.07574994646	0.582066585482719	1.99699722605087
237.111528356828	"C13H16O4"	237.11213545176	1.14544072076802	2.56037056412545
237.112018303045	"C13H16O4"	237.11213545176	0.920868155900198	0.494064611111535
237.112019670828	"C13H16O4"	237.11213545176	0.926636671114497	0.488296104167997
237.112020584482	"C13H16O4"	237.11213545176	0.930489933491012	0.484442847185457
237.148278581511	"C14H20O3"	237.14852095706	0.392890861985801	1.02204115806716
237.148279500834	"C14H20O3"	237.14852095706	0.396767438105382	1.01816458734073
237.148279949358	"C14H20O3"	237.14852095706	0.398658761918705	1.0162732662839
237.148280862976	"C14H20O3"	237.14852095706	0.402511281365084	1.01242075223067
237.184549014468	"C15H24O2"	237.18490646236	0.0921118308148379	1.50704316453219
239.09096963952	"C12H14O5"	239.09140001026	0.385095095760414	1.80002601504209
239.091465239598	"C12H14O5"	239.09140001026	1.6877556181587	0.272821766021986
239.091466660302	"C12H14O5"	239.09140001026	1.69369772236327	0.278763861786514
239.127684826415	"C13H18O4"	239.12778551556	0.993864508206915	0.421068362186777
239.16391307677	"C14H22O3"	239.16417102086	0.336408811320849	1.07852312872874
239.200148633619	"C15H26O2"	239.20055652616	0.290301354665548	1.7052324080232
239.200149558732	"C15H26O2"	239.20055652616	0.286433828935788	1.70136488775915
241.143534662207	"C13H20O4"	241.14343557936	1.82582164552564	0.41088759798518
241.179216290616	"C14H24O3"	241.17982108466	1.09271786642804	2.50764778443825
241.179719354861	"C14H24O3"	241.17982108466	0.993132245376036	0.421800623931215
241.179719830955	"C14H24O3"	241.17982108466	0.995106269138665	0.419826602996853
241.21591176674	"C15H28O2"	241.21620658996	0.192695369798609	1.22223636699417
243.159055063238	"C13H22O4"	243.15908564316	1.28917232010034	0.125760968153109
245.153563564879	"C16H20O2"	245.15360633476	1.24047165753684	0.174461561709678
247.132563190861	"C15H18O3"	247.13287089326	0.169842785664374	1.24508891871248
247.1330845	"C15H18O3"	247.13287089326	2.27927434265488	0.864339653532933
247.169061870882	"C16H22O2"	247.16925639856	0.627910208879589	0.787022143665835
249.111879997877	"C14H16O4"	249.11213545176	0.389474614118951	1.02545740108761
249.111880458264	"C14H16O4"	249.11213545176	0.391322728289341	1.02360928954133
249.111880929162	"C14H16O4"	249.11213545176	0.393213036202746	1.02171898425204
249.111881421301	"C14H16O4"	249.11213545176	0.395188611251736	1.01974341205535
249.148289361848	"C15H20O3"	249.14852095706	0.485385344386769	0.929546806500677
249.14828983264	"C15H20O3"	249.14852095706	0.487274950853654	0.927657202657526
249.148290324881	"C15H20O3"	249.14852095706	0.48925064680731	0.925681509555753
249.148816119305	"C15H20O3"	249.14852095706	2.59961905654074	1.18468391414082
249.184706718958	"C16H24O2"	249.18490646236	0.613345250152482	0.801587081771596
249.184708192318	"C16H24O2"	249.18490646236	0.619257976212125	0.795674364152298
249.184709150717	"C16H24O2"	249.18490646236	0.623104117411847	0.791828228313335
251.09104322386	"C13H14O5"	251.09140001026	0.00601087855519502	1.42094233410668
251.127353385822	"C14H18O4"	251.12778551556	0.30582534410588	1.72075637548549
251.1273553	"C14H18O4"	251.12778551556	0.298203006751855	1.71313404888321
251.163670915028	"C15H22O3"	251.16417102086	0.576220517323404	1.99115116607055
251.16367185425	"C15H22O3"	251.16417102086	0.572481037592475	1.98741169165813
251.163671854453	"C15H22O3"	251.16417102086	0.572480229291396	1.98741088335705
251.19999822998	"C16H26O2"	251.20055652616	0.807581394791001	2.22251171623055
251.200533002989	"C16H26O2"	251.20055652616	1.32129034448569	0.0936429891731829
253.106314880516	"C13H16O5"	253.10705007406	1.4897449456884	2.90467430193439
253.143063541297	"C14H20O4"	253.14343557936	0.0547415761771578	1.46967296278406
253.179819702577	"C15H24O3"	253.17982108466	1.40947455960121	0.00545889876786833
255.158526297006	"C14H22O4"	255.15908564316	0.777216360867221	2.19214672523214
255.159072759181	"C14H22O4"	255.15908564316	1.36443948813406	0.0504939065466378
255.159073713115	"C14H22O4"	255.15908564316	1.36817807877607	0.0467553212512688
255.231286497577	"C16H30O2"	255.23185665376	0.818945161700135	2.23387546704844
257.174356613731	"C14H24O4"	257.17473570696	0.0591373221723937	1.47406870263639
257.1892988	"C18H24O"	257.18999184006	1.27973219959846	2.69466185289266
259.205236189027	"C18H26O"	259.20564190386	0.150292522230509	1.56522377373226
261.148641982929	"C16H20O3"	261.14852095706	1.87837105257089	0.463436930744253
263.127158569519	"C15H18O4"	263.12778551556	0.967737473861687	2.38266756878954
263.1271586	"C15H18O4"	263.12778551556	0.967621632899069	2.38255172782692
263.127731809573	"C15H18O4"	263.12778551556	1.21082707383222	0.204106103407518
263.127733321539	"C15H18O4"	263.12778551556	1.21657321024924	0.198359975199629
236.136126311307	"C14H18O3"	236.13622589326	0.993218866833058	0.421714002601011
236.172650875728	"C15H22O2"	236.17261139856	1.58208758115302	0.167153878548183
236.172650875728	"C15H22O2"	236.17261139856	1.58208758115302	0.167153878548183
236.172650875728	"C15H22O2"	236.17261139856	1.58208758115302	0.167153878548183
238.115175445505	"C13H16O4"	238.11549045176	0.0920178502639935	1.32291374406528
238.115175445505	"C13H16O4"	238.11549045176	0.0920178502639935	1.32291374406528
238.115175445505	"C13H16O4"	238.11549045176	0.0920178502639935	1.32291374406528
238.115175445505	"C13H16O4"	238.11549045176	0.0920178502639935	1.32291374406528
238.151171996838	"C14H20O3"	238.15187595706	1.54100049492646	2.95592977865229
238.151171996838	"C14H20O3"	238.15187595706	1.54100049492646	2.95592977865229
238.151171996838	"C14H20O3"	238.15187595706	1.54100049492646	2.95592977865229
238.151171996838	"C14H20O3"	238.15187595706	1.54100049492646	2.95592977865229
238.187671383933	"C15H24O2"	238.18826146236	1.06243153196869	2.47736149284872
240.131188700827	"C13H18O4"	240.13114051556	1.61559605037606	0.20066230025666
240.167145765471	"C14H22O3"	240.16752602086	0.168361050590829	1.58329227651358
242.1471261	"C13H20O4"	242.14679057936	2.80054388022674	1.38560845352832
242.182525450987	"C14H24O3"	242.18317608466	1.27160572350397	2.68653538836602
242.182525450987	"C14H24O3"	242.18317608466	1.27160572350397	2.68653538836602
242.182525450987	"C14H24O3"	242.18317608466	1.27160572350397	2.68653538836602
244.1624692	"C13H22O4"	244.16244064316	1.53189199721785	0.116958365577935
250.11524500073	"C14H16O4"	250.11549045176	0.433581304166121	0.981350773411203
250.11524500073	"C14H16O4"	250.11549045176	0.433581304166121	0.981350773411203
250.11524500073	"C14H16O4"	250.11549045176	0.433581304166121	0.981350773411203
250.11524500073	"C14H16O4"	250.11549045176	0.433581304166121	0.981350773411203
250.187982175617	"C16H24O2"	250.18826146236	0.298625544564825	1.11630634212076
250.187982175617	"C16H24O2"	250.18826146236	0.298625544564825	1.11630634212076
250.187982175617	"C16H24O2"	250.18826146236	0.298625544564825	1.11630634212076
252.130576939025	"C14H18O4"	252.13114051556	0.820321295671183	2.2352515990223
252.130576939025	"C14H18O4"	252.13114051556	0.820321295671183	2.2352515990223
252.167111845647	"C15H22O3"	252.16752602086	0.227529405874148	1.64246054807667
252.167111845647	"C15H22O3"	252.16752602086	0.227529405874148	1.64246054807667
252.167111845647	"C15H22O3"	252.16752602086	0.227529405874148	1.64246054807667
252.203655640725	"C16H26O2"	252.20391152616	0.400334622217215	1.01459740829246
252.203655640725	"C16H26O2"	252.20391152616	0.400334622217215	1.01459740829246
254.1464384	"C14H20O4"	254.14679057936	0.0291994282985264	1.38573207708093
256.1623665573	"C14H22O4"	256.16244064316	1.12571868237406	0.289214374477383
256.1623665573	"C14H22O4"	256.16244064316	1.12571868237406	0.289214374477383
256.1623665573	"C14H22O4"	256.16244064316	1.12571868237406	0.289214374477383
258.177350348509	"C14H24O4"	258.17809070696	1.45269754219207	2.86762695083233
265.1427276	"C15H20O4"	265.14343557936	0.998382277249119	2.6701749506585
265.1427297	"C15H20O4"	265.14343557936	0.990462022549474	2.66225470925088
265.179232828615	"C16H24O3"	265.17982108466	0.546535411376705	2.21832884030001
265.179233850107	"C16H24O3"	265.17982108466	0.5426833321209	2.21447676747494
265.252841444825	"C18H32O"	265.25259209526	2.61184443302247	0.940045723955873
267.12236751965	"C14H18O5"	267.12270013786	0.426606197444182	1.24518885824288
267.12236904666	"C14H18O5"	267.12270013786	0.432322718565381	1.23947234669763
267.122369547836	"C14H18O5"	267.12270013786	0.434198923125232	1.23759614532976
267.122418171045	"C14H18O5"	267.12270013786	0.616224974344789	1.05557039841264
267.158694267095	"C15H22O4"	267.15908564316	0.206839588287928	1.46495509994922
269.174623642775	"C15H24O4"	269.17473570696	1.25547139244278	0.416325048997421
269.190034324818	"C19H24O"	269.18999184006	1.82962183499682	0.157824433670973
273.22099917518	"C19H28O"	273.22129196766	0.600164076237146	1.07163126971572
275.200046063441	"C18H26O2"	275.20055652616	0.183081278827829	1.8548753152189
277.215548404996	"C18H28O2"	277.21620658996	0.702472651690897	2.37426581972913
279.122437941579	"C15H18O5"	279.12270013786	0.732437066702734	0.939358500396356
279.122437941754	"C15H18O5"	279.12270013786	0.732437693741977	0.939357873357113
279.23135454172	"C18H30O2"	279.23185665376	0.126396254553331	1.79819038567926
279.231355640483	"C18H30O2"	279.23185665376	0.122461299271082	1.79425543711485
281.13761021831	"C15H20O5"	281.13835020166	0.960304056142152	2.63209679316573
281.137610738539	"C15H20O5"	281.13835020166	0.958453615084006	2.63024635534263
281.138243293062	"C15H20O5"	281.13835020166	1.29152608336664	0.380270418236245
281.174303000536	"C16H24O4"	281.17473570696	0.132871009079202	1.53892355560869
283.190032092455	"C16H26O4"	283.19038577076	0.422888579725451	1.24890646980384
283.190033711306	"C16H26O4"	283.19038577076	0.428605065011239	1.24318999395213
283.190034825775	"C16H26O4"	283.19038577076	0.432540477131393	1.2392545884559
283.262312527003	"C18H34O2"	283.26315678136	1.3086673113547	2.98045946597623
287.200184358761	"C19H26O2"	287.20055652616	0.375949992525095	1.2958449785359
289.179529598855	"C18H24O3"	289.17982108466	0.663821231031105	1.0079742212214
291.231420762583	"C19H30O2"	291.23185665376	0.175079330688238	1.4967153044789
266.14610143058	"C15H20O4"	266.14679057936	0.917563157300656	2.58935596592176
266.14610143058	"C15H20O4"	266.14679057936	0.917563157300656	2.58935596592176
266.182811998121	"C16H24O3"	266.18317608466	0.303990377331071	1.36780447335256
266.182811998121	"C16H24O3"	266.18317608466	0.303990377331071	1.36780447335256
278.21853290475	"C18H28O2"	278.21956158996	2.02559539609604	3.69738635232981
284.194143062649	"C16H26O4"	284.19374077076	3.08735456836633	1.41555506444424
284.194143062649	"C16H26O4"	284.19374077076	3.08735456836633	1.41555506444424
284.194143062649	"C16H26O4"	284.19374077076	3.08735456836633	1.41555506444424
299.236443896427	"C21H30O"	299.23694203146	0.651756068302325	1.66468427872214
303.194973778509	"C19H26O3"	303.19547114846	0.62749848102663	1.64042671588087
303.194974339572	"C19H26O3"	303.19547114846	0.625647979815064	1.63857621654412
303.194974912944	"C19H26O3"	303.19547114846	0.623756880884793	1.63668511967614
303.194976080426	"C19H26O3"	303.19547114846	0.619906285233851	1.6328345279623
307.189946735382	"C18H26O4"	307.19038577076	0.416267900630724	1.42919634952033
307.189947923199	"C18H26O4"	307.19038577076	0.41240118405448	1.42532963682999
307.18994792349	"C18H26O4"	307.19038577076	0.412400236634515	1.42532868941003
319.189936569937	"C19H26O4"	319.19038577076	0.394384665565221	1.40731313659619
321.205872158847	"C19H28O4"	321.20603583456	0.503363261639355	0.509566118743638
321.205872765715	"C19H28O4"	321.20603583456	0.505252605459811	0.507676776869838
323.184827444901	"C18H26O5"	323.18530039306	0.450467843125308	1.4633962573597
323.184828083672	"C18H26O5"	323.18530039306	0.448491355572382	1.46141977191739
300.2405905	"C21H30O"	300.24029703146	1.99037642915533	0.977445542485022
308.1930418	"C18H26O4"	308.19374077076	1.25503137428853	2.26795897354048
308.1930418	"C18H26O4"	308.19374077076	1.25503137428853	2.26795897354048
308.1930418	"C18H26O4"	308.19374077076	1.25503137428853	2.26795897354048
320.193218960245	"C19H26O4"	320.19374077076	0.616742945498346	1.62967119125355
324.188220066161	"C18H26O5"	324.18865539306	0.329891120366754	1.34281965682138
324.188220066161	"C18H26O5"	324.18865539306	0.329891120366754	1.34281965682138