Not logged in
PANGAEA.
Data Publisher for Earth & Environmental Science

Zark, Maren; Dittmar, Thorsten (2018): Dissolved organic matter (DOM) composition from a set of four marine and one freshwater environments [dataset]. PANGAEA, https://doi.org/10.1594/PANGAEA.888849, In supplement to: Zark, M; Dittmar, T (2018): Universal molecular structures in natural dissolved organic matter. Nature Communications, 9(1), https://doi.org/10.1038/s41467-018-05665-9

Always quote citation above when using data! You can download the citation in several formats below.

RIS CitationBibTeX Citation

Comment:
EVENTS:
Antarctic Bottom Water AABW (pooled sample) * LATITUDE: 30° 60' S; 25° 60' S * LONGITUDE: 30° 60' W; 39° 0' W * DEPTH: 4100 m; 4000 m * DATE: 2012-04-18; 2012-04-20 * CRUISE: ANT XXVIII/5 RV Polarstern * DEVICE: rosette sampler
Eurafrican Mediterranean Water EMW (pooled sample) * LATITUDE: 35° 14' N; 38° 45' N * LONGITUDE: 12° 54' W; 12° 37' W * DEPTH: 1000 m; 1000 m * DATE: 2012-05-08; 2012-05-09 * CRUISE: ANT XXVIII/5 RV Polarstern * DEVICE: rosette sampler
North Atlantic Deep Water NADW (pooled sample) * LATITUDE: 9° 24' N; 9° 24' N; 9° 24' N * LONGITUDE: 22° 46' W; 22° 46' W; 22° 46' W * DEPTH: 4000 m; 3000 m; 2500 m* DATE: 2012-04-30; 2012-04-30; 2012-04-30 * CRUISE: ANT XXVIII/5 RV Polarstern * DEVICE: rosette sampler
North Sea * LATITUDE: 54° 11' N * LONGITUDE: 7° 54' E * DATE: 2009-04-09 * DEPTH: 0m * LOCATION: Helgoland, North Sea * DEVICE: bucket
Lake * LATITUDE: 53° 12' N * LONGITUDE: 8° 1' E * DEPTH: 0 m * DATE: 2011-01-11 * LOCATION: Footbridge in Meyerhausen, Germany * DEVICE: Niskin Bottle
Parameter(s):
Size:
68565 data points

Data

Download dataset as tab-delimited text — use the following character encoding:


m/z

Formula
("no reference" refers to dete...)

Peak int
(AABW)

Peak int
(EMW)

Peak int
(NADW)

Peak int
(North Sea)

Peak int
(Lake)
154.01463C6H5NO40.00000000.00000000.00000000.39558510.4022165
154.03629no reference0.00000000.00000000.00000000.61716680.0000000
154.07299no reference0.00000000.00000000.00000000.00000000.9523025
154.07312no reference0.00000000.00000000.00000000.59600520.0000000
154.99865C6H4O50.00000000.00000000.00000000.40173420.4249573
157.01430C6H6O50.00000000.00000000.00000000.37756710.5822672
159.02994C6H8O50.50205570.57438190.38829091.48363152.3493389
159.04519C10H8O20.00000000.00000000.30029831.20466421.5477244
159.08157C11H12O0.54546450.60538110.51234020.70573200.5947782
160.84210no reference0.53170230.00000000.00000000.29507210.0000000
161.02445C9H6O30.00000000.00000000.19517521.10462071.3174072
161.06083C10H10O20.71448060.67401840.64198471.39523831.2763587
161.09722C11H14O0.91473370.97385160.72813030.83878890.5551754
162.01972C8H5NO30.00000000.00000000.00000000.41604060.3617058
162.05610C9H9NO20.00000000.00000000.00000000.69198710.3836504
162.83915no reference0.85685280.00000000.22536840.22545100.0000000
163.00372C8H4O40.00000000.00000000.00000001.02539332.1985260
163.04009C9H8O30.56796330.84740720.57030562.16100843.0840771
163.07648C10H12O21.31819351.49516261.43055342.60251222.3806868
163.11286C11H16O0.76796030.78589460.76196870.78289080.6027844
164.01156no reference0.00000000.00000000.00000000.00000000.3771230
164.03537C8H7NO30.34227820.00000000.22760430.95966250.6151913
164.04797no reference0.00000000.00000000.00000000.24063830.3268786
164.07174C9H11NO20.70105740.76756620.56792351.13820830.3570276
164.83620no reference0.37024980.00000000.00000000.00000000.0000000
164.98634no reference0.00000000.00000000.00000000.99555260.0000000
165.01938C8H6O41.29263121.51024171.28764871.33637061.6229104
165.05574C9H10O31.03951781.40930321.12864132.32868282.7160969
165.09213C10H14O21.22853561.35773171.05021611.71240691.1847587
166.01463C7H5NO40.00000000.00000000.00000000.52879110.3679427
166.02720no reference0.00000000.00000000.00000000.36542910.6336071
166.05100C8H9NO30.39211320.00000000.37666351.52132320.7154821
166.99864C7H4O50.00000000.00000000.00000000.00000000.5635884
167.03501C8H8O40.52821490.79802450.45491001.94555103.8418752
167.07139C9H12O31.23229931.42911001.13331122.33783851.8178881
167.10778C10H16O20.43998820.56548850.53448790.78736960.4348227
168.03028C7H7NO40.33586520.00000000.30504351.04833920.8752745
168.06665C8H11NO30.60515070.51458400.46897460.87762240.3366035
168.83630no reference0.98440610.00000000.37237510.27360210.0000000
168.98125no reference0.29093490.00000000.00000003.97451140.0000000
169.01428C7H6O50.44011060.45915360.27746331.47226303.2745128
169.02954C11H6O20.00000000.00000000.00000000.00000000.3709194
169.05065C8H10O40.00000000.00000000.00000002.44062342.7857438
169.06593C12H10O0.00000000.00000000.00000000.28112040.3272447
169.08705C9H14O30.62037340.52959240.58852451.29238470.6278040
170.04592C7H9NO40.00000000.00000000.00000000.98777720.5951616
170.83335no reference0.89035090.45549540.21088090.29797800.0000000
171.02992C7H8O50.58048880.64305990.00000001.37423662.0659654
171.04517C11H8O20.00000000.00000000.00000000.52476250.8795579
171.06632C8H12O40.00000000.00000000.00000000.00000000.9453641
171.08157C12H12O0.52010120.00000000.37762510.42889790.4014484
172.04041C10H7NO20.00000000.00000000.00000000.42869140.3826336
173.00920C6H6O60.00000000.00000000.00000000.83018410.4608375
173.02447C10H6O30.00000000.00000000.00000000.60085501.3469349
173.04559C7H10O50.49393400.00000000.42461411.00871851.2543981
173.06083C11H10O20.76139330.67708470.55545241.39283511.6724909
173.09721C12H14O0.77017870.55272040.66834300.69221560.5468696
174.03230no reference0.00000000.00000000.00000000.24586390.6567058
174.05610C10H9NO20.00000000.00000000.00000000.93864370.6391034
175.00373C9H4O40.00000000.00000000.00000000.30532620.5227941
175.02487C6H8O60.00000000.00000000.25191790.42992550.6323437
175.04009C10H8O30.85945110.74015930.70503762.41819933.8886791
175.05133C9H8N2O20.33641480.00000000.31640810.60336160.3674017
175.06128C7H12O50.00000000.00000000.00000000.66227370.0000000
175.07647C11H12O21.58244561.80690481.51800262.30515442.6268211
175.11286C12H16O1.08082191.40202001.27090650.98955660.7648162
176.01154no reference0.00000000.00000000.00000000.34628560.7936314
176.03538C9H7NO30.00000000.00000000.28466640.83158850.7769754
176.04346no reference0.00000000.00000000.00000000.00000000.3530494
176.04792no reference0.00000000.00000000.00000000.00000000.3811735
176.07173C10H11NO20.71980120.73319750.67528881.18128320.5482961
177.01935C9H6O40.41139660.00000000.32501752.14887584.2391982
177.03060C8H6N2O30.00000000.00000000.00000000.51902170.4125563
177.04046C6H10O60.00000000.00000000.00000000.71615940.0000000
177.05574C10H10O31.34158031.58704681.22341223.25158494.5251360
177.09213C11H14O22.11365672.34948202.08169532.92258642.5294881
177.12851C12H18O0.53506000.87030840.53218200.53805620.3687608
177.99085no reference0.00000000.00000000.00000000.25748850.3559882
178.01464C8H5NO40.00000000.00000000.00000000.60596570.6087434
178.02274no reference0.00000000.00000000.00000000.00000000.3144730
178.02720no reference0.00000000.00000000.00000000.35285170.4678089
178.05101C9H9NO30.61066000.56311110.50902081.42055480.9170928
178.05910no reference0.00000000.00000000.00000000.35901190.3461413
178.08739C10H13NO20.57791940.70148100.54646260.91716410.3906717
178.99862C8H4O50.00000000.00000000.00000000.74370411.5889160
179.03501C9H8O40.70151130.86933810.64696082.63335584.0418614
179.04630C8H8N2O30.00000000.00000000.00000000.58230000.2887473
179.07139C10H12O31.87290612.29820141.75707923.75764203.5726734
179.08262C9H12N2O20.46148810.60985640.35426440.58719330.1721191
179.10778C11H16O21.33214361.77682851.30940441.91411771.1630193
180.03028C8H7NO40.46649610.52493000.31721591.66547181.2103662
180.03833no reference0.00000000.00000000.00000000.31436750.4628715
180.04285no reference0.00000000.44754890.00000000.41702950.6625704
180.06664C9H11NO30.90923421.03909490.78722871.90388190.9454198
180.07477no reference0.00000000.00000000.00000000.48966990.5172482
180.98125no reference0.00000000.00000000.00000000.58656170.0000000
181.01427C8H6O50.00000000.43968810.27391541.56513392.1359514
181.05043no reference0.00000000.00000000.00000000.00000000.5748371
181.05066C9H10O41.23092861.30673771.03921013.15813834.3651258
181.08704C10H14O31.46416321.65919321.27444282.84394971.9414828
181.12342C11H18O20.42147640.00000000.50221610.58401890.2905892
182.00955C7H5NO50.00000000.00000000.00000000.58156840.4634540
182.02213no reference0.00000000.00000000.00000000.33830210.7290023
182.04591C8H9NO40.58563040.72950070.54901231.35430061.3333643
182.05401no reference0.00000000.44438790.19507540.24892830.4448105
182.08230C9H13NO30.40721660.56669880.55165360.79095840.2213535
183.02975no reference0.00000000.00000000.00000000.00000000.4427492
183.02992C8H8O50.28234400.46654380.42254441.85162863.6931659
183.06631C9H12O41.17961620.00000000.92388662.48358602.1994668
183.10271C10H16O30.55223130.61663750.36220570.92422150.4655991
183.98657no reference0.00000000.00000000.00000000.99462110.0000000
184.02520C7H7NO50.00000000.00000000.00000000.50622210.6356638
184.03322no reference0.00000000.00000000.00000000.00000000.3712381
184.04047C11H7NO20.00000000.00000000.00000000.27208290.3329363
184.06159C8H11NO40.00000000.00000000.00000000.95148140.3840784
185.00921C7H6O60.00000000.00000000.00000000.42264540.8247761
185.02445C11H6O30.00000000.00000000.00000000.40096191.1284197
185.04557C8H10O50.00000000.00000000.00000001.78181412.4581745
185.06082C12H10O20.00000000.00000000.00000000.00000001.1873863
185.08196C9H14O40.00000000.66374170.43143221.17097800.6659165
185.09721C13H14O0.50601720.43972780.36634050.52878540.3494625
186.01971C10H5NO30.00000000.00000000.00000000.26161060.3813594
186.03230no reference0.00000000.00000000.19008480.24678190.4808217
186.04083C7H9NO50.00000000.00000000.24290590.41912580.4160391
186.05611C11H9NO20.00000000.45501110.34547430.62941910.5862202
187.00373C10H4O40.00000000.00000000.00000000.34051950.7658353
187.02487C7H8O60.00000000.00000000.30041621.25099201.3365071
187.03989no reference0.00000000.00000000.00000000.00000000.4028463
187.04010C11H8O30.28620810.57871110.32106081.57121942.3604675
187.06123C8H12O50.58218330.00000000.37069321.15952420.8239760
187.07648C12H12O21.02890211.01599680.85816571.53556091.6370705
187.11286C13H16O1.04824810.86815850.78509340.74112200.4161897
188.01154no reference0.00000000.00000000.00000000.00000000.3472571
188.03537C10H7NO30.00000000.00000000.22641770.79122080.7031827
188.04793no reference0.00000000.45160950.00000000.43987920.5219290
188.07174C11H11NO20.64150260.57559490.46179870.98083210.4856662
189.01937C10H6O40.00000000.00000000.00000001.46171512.7020448
189.04050C7H10O60.27906020.48304820.23657740.48314240.4678113
189.05554no reference0.00000000.00000000.00000000.36355770.4483679
189.05574C11H10O30.95841701.39366980.90361462.77782823.2463218
189.06699C10H10N2O20.00000000.00000000.00000000.67044750.2863297
189.09213C12H14O21.78227412.01456021.80544562.14459561.8108840
189.12851C13H18O0.91198140.98279960.85793380.62000960.3797997
190.01461C9H5NO40.00000000.00000000.00000000.48796350.5321611
190.02272no reference0.00000000.00000000.00000000.00000000.3143436
190.02722no reference0.00000000.00000000.00000000.32646900.7388630
190.05099C10H9NO30.39485780.57341130.40123701.28872960.9852433
190.05911no reference0.00000000.00000000.00000000.27842100.4382391
190.08738C11H13NO20.92569761.08574050.88731541.23750270.5372712
190.09551no reference0.00000000.00000000.26853760.28119010.3431041
190.99863C9H4O50.00000000.00000000.00000000.98910472.1307142
191.03481no reference0.00000000.00000000.00000000.40054380.4701464
191.03501C10H8O40.58773540.67797080.51810492.95177294.8474875
191.04626C9H8N2O30.00000000.00000000.19736900.69641740.4502212
191.07118no reference0.00000000.00000000.24410530.34728370.4323264
191.07139C11H12O31.88011752.14169501.66241763.77461694.4901423
191.08264C10H12N2O20.66265020.63138190.48425910.78113260.2876711
191.10778C12H16O21.98070982.38654392.01849412.66771942.0667057
191.14416C13H20O0.31551700.47736390.36383360.43749160.2272803
192.00647no reference0.00000000.00000000.00000000.29716220.5746055
192.03027C9H7NO40.29752240.00000000.22172301.25710131.0209257
192.03838no reference0.00000000.00000000.00000000.00000000.4653183
192.04280no reference0.00000000.00000000.00000000.00000000.5889041
192.06664C10H11NO30.87086891.03191000.50890241.54849861.0360330
192.07477no reference0.00000000.00000000.00000000.36348670.4516820
192.10303C11H15NO20.84465180.90696190.76733110.84719650.2574977
192.11116no reference0.29447600.45015030.32482810.28797420.3193207
193.01428C9H6O50.00000000.00000000.00000001.44182512.3916310
193.05046no reference0.00000000.00000000.00000000.42958190.5207995
193.05066C10H10O41.08894851.14964030.98293553.29062945.1097123
193.06185C9H10N2O30.27950230.00000000.29366440.86904510.3514959
193.08684no reference0.00000000.00000000.00000000.40836890.3171430
193.08704C11H14O32.55195993.01787682.30369753.74487183.7106147
193.12343C12H18O21.35747171.75597181.26847701.36929430.9054685
194.00954C8H5NO50.00000000.00000000.00000000.33125490.3304345
194.02210no reference0.00000000.00000000.00000000.00000000.3833703
194.04593C9H9NO40.59731900.59322790.23781411.44698320.9491038
194.05408no reference0.00000000.00000000.00000000.31719640.4556033
194.08228C10H13NO34.72937151.10887351.34885271.25758390.5609589
194.09043no reference0.29862430.62004870.19798130.36208800.3195169
194.99372no reference0.00000000.00000000.00000000.29121870.4040181
194.99693no reference0.00000000.00000000.00000000.90676600.0000000
195.02970no reference0.00000000.00000000.00000000.00000000.3839037
195.02993C9H8O50.00000000.49977540.29187231.93785514.0780080
195.04125no reference0.00000000.00000000.00000000.57242700.2972602
195.04519C13H8O20.00000000.00000000.00000000.00000000.5664994
195.05113no reference0.00000000.00000000.00000000.77687860.0000000
195.06610no reference0.00000000.00000000.00000000.36733810.3695190
195.06631C10H12O41.42804721.74205841.11784343.14022594.1154494
195.10269C11H16O31.03962681.62254561.07797582.24218061.6333043
195.13909C12H20O20.78822870.77489120.86059970.46745480.2228764
196.02518C8H7NO50.00000000.00000000.24340461.05292090.9098047
196.03329no reference0.00000000.00000000.00000000.00000000.4658934
196.03777no reference0.00000000.00000000.00000000.23951880.5434432
196.04046C12H7NO20.00000000.00000000.00000000.21434170.3185625
196.06156C9H11NO40.69145690.88382600.53396461.87679681.4124762
196.06967no reference0.00000000.54897850.19774520.44718350.4623833
196.09798C10H15NO30.35482730.50969360.35944610.57031880.2403159
196.99434no reference0.00000000.47329120.00000001.06163250.0000000
197.00922C8H6O60.00000000.00000000.00000001.28137932.0517688
197.02449C12H6O30.00000000.00000000.00000000.00000000.6085712
197.04531no reference0.00000000.00000000.00000000.00000000.4529382
197.04557C9H10O50.90418540.82080550.61860822.95304494.9720611
197.06083C13H10O20.00000000.00000000.00000000.61688911.2865946
197.08196C10H14O41.22300491.20147371.38462463.24559552.7723096
197.11835C11H18O30.49959490.00000000.46122880.75230010.4056978
198.00446C7H5NO60.00000000.00000000.00000000.25854030.3431796
198.03228no reference0.00000000.00000000.00000000.25882860.7353853
198.04084C8H9NO50.00000000.00000000.36204990.87952000.9680692
198.04892no reference0.00000000.00000000.00000000.29648250.5163118
198.05614C12H9NO20.00000000.00000000.00000000.36593290.4877318
198.07720C9H13NO40.43621430.59045610.35267551.07574750.5441176
198.08535no reference0.00000000.00000000.00000000.36801180.3256808
198.99181no reference0.00000000.00000000.00000003.05392710.0000000
199.00707C8H8O4S0.00000000.00000000.00000001.12093880.3788944
199.02485C8H8O60.00000000.59932800.22902640.93721471.7730966
199.04010C12H8O30.29185890.00000000.00000000.79876922.0214900
199.04352C9H12O3S0.00000000.00000000.00000000.83667340.3311034
199.06122C9H12O50.88391371.07670030.74998232.33608622.2159239
199.07647C13H12O20.73424980.74427090.57824480.96959581.3672291
199.09763C10H16O40.41598060.61574800.41141421.63948820.6598859
199.11286C14H16O0.52494880.67199410.54421810.39998740.2552917
200.01151no reference0.00000000.00000000.00000000.00000000.6592008
200.03536C11H7NO30.00000000.00000000.00000000.37070680.5989093
200.04793no reference0.00000000.00000000.00000000.24235950.5384628
200.05649C8H11NO50.00000000.00000000.26694700.53626820.4004837
200.07173C12H11NO20.32289310.00000000.28321480.74014320.4974253
201.01934C11H6O40.00000000.00000000.00000000.92593732.3241260
201.04052C8H10O60.44186900.69433830.41093591.30191341.6850758
201.05546no reference0.00000000.00000000.00000000.00000000.3192559
201.05574C12H10O30.66910490.68728550.68993982.01872323.5106197
201.06699C11H10N2O20.00000000.00000000.35937290.54028060.3708583
201.07689C9H14O50.48838750.63220440.42083331.23942800.5455219
201.09212C13H14O21.34798991.47304871.11036241.43562521.4586380
201.11329C10H18O40.00000000.00000000.00000000.65189930.0000000
201.12851C14H18O0.65557150.59401220.50272960.46816010.3010690
202.01457C10H5NO40.00000000.00000000.00000000.00000000.4286083
202.02719no reference0.00000000.00000000.00000000.24342820.7001961
202.05100C11H9NO30.41841160.00000000.40784781.17531121.0857774
202.05913no reference0.00000000.00000000.00000000.00000000.3898249
202.08738C12H13NO20.62512870.72411790.59089070.90203170.3273052
202.99861C10H4O50.00000000.00000000.00000000.69883271.7844713
203.03477no reference0.00000000.00000000.00000000.00000000.5217876
203.03500C11H8O40.51580760.51289100.44284392.44324154.5159047
203.04627C10H8N2O30.00000000.00000000.00000000.69746750.5010710
203.05616C8H12O60.00000000.00000000.27462630.61252470.5297716
203.07114no reference0.00000000.00000000.00000000.00000000.4184455
203.07139C12H12O31.41721641.94407691.51066963.08624633.9942030
203.08263C11H12N2O20.53023480.73228710.34252000.79291100.3405860
203.10777C13H16O22.13236552.42452281.96722422.43510911.8740836
203.14416C14H20O0.56840910.53347780.38595670.52286370.2481270
204.00649no reference0.00000000.00000000.00000000.23221890.4936271
204.03028C10H7NO40.00000000.00000000.00000001.08440921.2818411
204.03836no reference0.00000000.00000000.00000000.27221730.5808816
204.04284no reference0.00000000.00000000.00000000.32546220.8352630
204.06666C11H11NO30.82397030.87161850.65260401.70501741.2667341
204.07477no reference0.00000000.00000000.19794560.54115790.5801420
204.10303C12H15NO21.12919381.40522090.99471331.20731770.3133550
205.01428C10H6O50.29577990.00000000.25668301.68293563.6390745
205.02552C9H6N2O40.00000000.00000000.00000000.56860330.4558494
205.05041no reference0.00000000.00000000.00000000.52135250.5668145
205.05065C11H10O41.10255411.20924510.91523823.72126096.3932204
205.06190C10H10N2O30.46711570.00000000.19506990.99183100.5467174
205.08677no reference0.00000000.00000000.29623080.00000000.4423772
205.08704C12H14O32.43769783.15108612.53659704.18824954.8797346
205.09827C11H14N2O20.61347970.70366260.67076370.74595550.2114054
205.12342C13H18O21.95138402.53145822.02082722.29371221.6481422
205.15980C14H22O2.67757645.30568292.87940380.39548740.2306170
206.00957C9H5NO50.00000000.00000000.00000000.35666890.5365909
206.01766no reference0.00000000.00000000.00000000.00000000.3954974
206.02209no reference0.00000000.00000000.00000000.24077941.1677437
206.04592C10H9NO40.49388820.51254220.41810251.37267571.4828298
206.05404no reference0.00000000.00000000.00000000.46787820.6881980
206.05849no reference0.00000000.00000000.00000000.29113410.5123473
206.08229C11H13NO31.15703881.25728180.94223701.86764511.0959586
206.09041no reference0.42333300.00000000.29445760.61243940.6467994
206.11869C12H17NO20.73939210.73060470.62312900.65061700.5428723
206.15508C13H21NO0.00000000.00000000.00000000.00000000.8307378
206.99355C9H4O60.00000000.00000000.00000000.55306251.5646732
207.01216C10H8O3S0.70818800.00000000.33980100.44608770.4325354
207.02967no reference0.00000000.00000000.00000000.00000000.3995851
207.02993C10H8O50.51335540.00000000.31667522.30539254.6253711
207.04119C9H8N2O40.00000000.00000000.00000000.45922870.4259628
207.04514C14H8O20.00000000.00000000.00000000.00000000.3442146
207.06604no reference0.00000000.00000000.00000000.00000000.5660758
207.06630C11H12O41.74026802.19244531.47547184.34972666.4149883
207.07758C10H12N2O30.58582180.00000000.41694420.90215190.3955764
207.10269C12H16O32.54077343.05899492.64858473.97135383.5911906
207.13907C13H20O22.31966171.38931101.71551490.84458360.5352768
208.00136no reference0.00000000.00000000.00000000.00000000.4186086
208.02517C9H7NO50.00000000.00000000.00000000.74490630.8261454
208.03321no reference0.00000000.00000000.00000000.00000000.5497227
208.03775no reference0.00000000.00000000.00000000.00000000.6365296
208.06157C10H11NO40.49118530.84175980.53438591.93529031.6199519
208.06968no reference0.37079000.00000000.24311530.58382220.8225670
208.09794C11H15NO30.96780651.14219280.81223321.40408710.4707798
208.10606no reference0.31896880.45847240.28869870.50080710.5093398
209.00916C9H6O60.00000000.00000000.00000000.83933521.5496914
209.04529no reference0.00000000.00000000.00000000.00000000.5892234
209.04556C10H10O50.89546481.28221550.69880583.52260716.4901685
209.05681C9H10N2O40.00000000.00000000.26941330.81175020.4255378
209.06082C14H10O20.00000000.00000000.00000000.44694200.8363437
209.08170no reference0.40753220.00000000.00000000.00000000.5088349
209.08195C11H14O42.14359212.67599352.02400114.27789824.9663582
209.11834C12H18O31.38045221.88644681.58105271.79747061.4695792
210.01702no reference0.00000000.00000000.00000000.00000000.5341232
210.03228no reference0.00000000.00000000.19317170.00000000.3741715
210.04082C9H9NO50.38426410.00000000.28192611.62584281.5479150
210.04893no reference0.00000000.00000000.00000000.37937730.7317406
210.05610C13H9NO20.00000000.00000000.00000000.24732000.3954563
210.07722C10H13NO40.77098320.64101060.54389621.93799870.9696385
210.08532no reference0.00000000.00000000.27667860.51867340.6148399
210.99185no reference0.00000000.00000000.00000000.67234230.0000000
211.00709C9H8O4S0.00000000.00000000.00000000.53762980.3239246
211.02486C9H8O60.00000000.00000000.00000001.78427804.2567870
211.03611C8H8N2O50.00000000.00000000.00000000.56442740.3710882
211.04008C13H8O30.29360870.00000000.00000000.76129211.9354887
211.06122C10H12O51.33234111.83721121.24736834.02107665.3732846
211.07248C9H12N2O40.30340720.52383250.21602330.57061910.3161138
211.07647C14H12O20.00000000.51610030.31974890.67334571.0441909
211.09760C11H16O41.35542481.74552351.38687783.61126402.6582324
211.11285C15H16O0.29936040.47365440.28236320.21417260.2276298
211.13404C12H20O30.53028150.00000000.56150680.57052940.2704657
212.02006C8H7NO60.00000000.00000000.00000000.71233370.7218235
212.02816no reference0.00000000.00000000.00000000.21475500.3770047
212.03262no reference0.00000000.00000000.00000000.21766850.4178359
212.03531C12H7NO30.00000000.00000000.00000000.56396480.6709956
212.04788no reference0.00000000.00000000.19570030.21210010.6921255
212.05649C9H11NO50.42716100.45033410.49885131.28969700.8496342
212.06459no reference0.00000000.00000000.19824110.47082870.6212003
212.07173C13H11NO20.00000000.00000000.29499690.55349570.4570674
212.09287C10H15NO40.43482180.00000000.35479880.77172550.1974642
212.10096no reference0.00000000.00000000.29552720.42324460.3420078
213.00413C8H6O70.00000000.00000000.00000000.24458040.4308424
213.00749no reference0.00000000.00000000.00000001.52649210.0000000
213.01936C12H6O40.00000000.00000000.00000000.71399702.1382121
213.04048C9H10O60.55964550.51574700.53243832.07074623.4454957
213.05576C13H10O30.42606940.44583240.41152541.55939022.7276395
213.07687C10H14O51.18892011.27163321.08615323.48834282.5558501
213.09212C14H14O20.81735550.77455880.81368750.89990811.0586069
213.11329C11H18O40.54302080.45876010.40427791.30732470.5305733
213.12851C15H18O0.48642490.51426280.36399240.41413550.1848083
214.01461C11H5NO40.00000000.00000000.00000000.00000000.3605711
214.02719no reference0.00000000.00000000.00000000.31569660.8656001
214.03575C8H9NO60.00000000.00000000.00000000.33398130.3339014
214.05094C12H9NO30.00000000.00000000.00000000.55400160.8109183
214.05905no reference0.00000000.00000000.00000000.00000000.4035022
214.06357no reference0.00000000.00000000.00000000.00000000.3672309
214.07212C9H13NO50.00000000.00000000.22751530.78597900.3686764
214.08732C13H13NO20.53445770.57301320.28266120.62446960.2944305
214.99862C11H4O50.00000000.00000000.00000000.48699060.9853755
215.01975C8H8O70.00000000.00000000.00000000.39664650.7089358
215.03502C12H8O40.33548440.00000000.23877341.52411993.6456778
215.04623C11H8N2O30.00000000.00000000.19259820.44295770.3516599
215.05616C9H12O60.50306310.61554200.50265311.84489431.8837983
215.07138C13H12O30.91639341.15545330.90860642.07966343.3655560
215.08260C12H12N2O20.34262670.48881570.33808130.64370800.2879448
215.09255C10H16O50.37226920.87770220.22252111.60660620.6046312
215.10777C14H16O21.27027411.60852981.17346221.35866711.3009798
215.14415C15H20O0.39035100.49454550.45283460.31835350.2206943
216.00646no reference0.00000000.00000000.00000000.00000000.6776392
216.03028C11H7NO40.00000000.00000000.00000000.65836420.8503589
216.03823no reference0.00000000.00000000.00000000.20809000.4867507
216.04283no reference0.00000000.00000000.00000000.41974160.8621972
216.06665C12H11NO30.65488050.65772050.44789521.24519621.1852331
216.07475no reference0.00000000.00000000.20600620.36188500.5135248
216.10303C13H15NO20.86582290.66564910.71135720.78024230.3646545
217.01429C11H6O50.31044570.00000000.00000001.23205582.7001846
217.03539C8H10O70.00000000.00000000.19904100.37220370.5611381
217.05065C12H10O40.59897580.84879030.71018362.81571465.3265898
217.06188C11H10N2O30.38728800.00000000.27866550.79699470.6307563
217.07179C9H14O60.00000000.00000000.22741631.05118620.3505138
217.08703C13H14O31.95792972.10319161.68839163.07136373.5863913
217.09828C12H14N2O20.68871380.79411610.56125280.77730040.2400484
217.10820C10H18O50.00000000.00000000.00000000.89222700.0000000
217.12315no reference0.00000000.00000000.00000000.36873190.0000000
217.12342C14H18O21.68077272.08973471.59850911.67416291.1841540
217.15982C15H22O0.00000000.00000000.21669920.23743430.1840339
217.98571no reference0.00000000.00000000.00000000.23903290.5057197
218.00941C10H5NO50.00000000.00000000.00000000.32755010.3770670
218.01764no reference0.00000000.00000000.00000000.25480720.3561612
218.02211no reference0.00000000.00000000.00000000.30535121.0742586
218.04591C11H9NO40.29491390.49571530.37865511.41976031.9786343
218.05405no reference0.00000000.00000000.00000000.42806280.9799332
218.05846no reference0.00000000.47688650.00000000.31849300.6811247
218.08229C12H13NO31.08539401.21133841.06436561.74642281.2720662
218.09040no reference0.00000000.00000000.29045970.45137090.6701820
218.11867C13H17NO20.99568030.78958410.85599550.74100920.2794396
218.99347C10H4O60.30269680.00000000.00000000.42038821.2729822
219.02991C11H8O50.48574090.56766710.31348823.24781187.6279051
219.04115C10H8N2O40.00000000.00000000.21475340.85144670.8540388
219.04521C15H8O20.00000000.00000000.00000000.22024770.3824595
219.05109C8H12O70.00000000.00000000.00000000.38283510.3636701
219.06630C12H12O41.80382262.24256321.91795265.46367118.3112118
219.07753C11H12N2O30.81433930.79954560.61405821.62567520.7908573
219.10268C13H16O33.62220984.04036953.51622824.98199595.0138907
219.11392C12H16N2O20.87810901.00660880.89472200.70359610.1428388
219.13907C14H20O21.86327631.85911761.62064831.55284341.1932850
219.99712no reference0.00000000.00000000.00000000.78666030.0000000
220.00126no reference0.00000000.00000000.00000000.00000000.4963041
220.02519C10H7NO50.00000000.00000000.26043670.87982841.5079110
220.03326no reference0.00000000.00000000.00000000.44497850.8574356
220.03774no reference0.00000000.00000000.00000000.42431190.9596425
220.06156C11H11NO40.75800501.07920840.68459622.46621872.2662381
220.06965no reference0.00000000.00000000.24292980.71637811.0917894
220.07416no reference0.29965220.00000000.29694640.37390600.3615616
220.09793C12H15NO31.99376142.28960961.70420522.34118810.9209637
220.10606no reference0.60776200.53858910.36668800.68232950.8145931
220.13434C13H19NO20.52195050.44945800.51453370.49372050.2473462
221.00917C10H6O60.00000000.00000000.00000001.94719124.7625856
221.04557C11H10O50.88272270.97510030.60835013.61278876.3868831
221.05680C10H10N2O40.34622690.00000000.28699771.06019430.6577973
221.06081C15H10O20.00000000.00000000.00000000.31211180.5735198
221.08195C12H14O42.96087333.43666522.62905535.65967287.0228375
221.08225no reference0.00000000.00000000.00000000.64528340.0000000
221.09318C11H14N2O30.76764360.54072920.62937281.06499080.3254541
221.11833C13H18O32.83001763.28861942.98524453.52417672.9506722
221.15473C14H22O20.99129130.73077660.81678070.52219670.3618131
222.00439C9H5NO60.00000000.00000000.00000000.26471750.3985547
222.01263no reference0.00000000.00000000.00000000.00000000.5447416
222.01702no reference0.00000000.00000000.00000000.00000000.5150432
222.03215no reference0.00000000.00000000.00000000.00000000.3140714
222.04085C10H9NO50.00000000.00000000.27831901.34938661.4465709
222.04897no reference0.00000000.00000000.00000000.42506070.8665046
222.05339no reference0.00000000.00000000.00000000.00000000.5905809
222.07720C11H13NO41.10118701.08821830.84212682.19596391.4157378
222.08539no reference0.00000000.56268950.32861510.67212180.9461375
222.11368no reference1.14336871.01018510.82662710.89369060.3567802
222.12171no reference0.41966840.00000000.30341340.46481900.4499710
222.98845C9H4O70.00000000.00000000.00000000.21256180.7200001
222.99181no reference0.00000000.00000000.00000001.44392980.0000000
223.02484C10H8O60.00000000.00000000.23684152.06138283.8739579
223.04012C14H8O30.00000000.00000000.00000000.43710581.1135493
223.06121C11H12O51.31280101.70048151.17805374.44731017.1726574
223.07246C10H12N2O40.37118510.75246820.36118570.97919060.4581535
223.07649C15H12O20.00000000.00000000.20376440.36504700.7359702
223.09760C12H16O43.24942493.69046613.12069655.17783875.1034695
223.13399C13H20O31.67174901.76286401.32336411.55628270.9571790
224.02008C9H7NO60.00000000.00000000.00000000.56140760.5314120
224.02817no reference0.00000000.00000000.00000000.00000000.3891659
224.03279no reference0.00000000.00000000.00000000.00000000.5295541
224.04791no reference0.00000000.00000000.00000000.22977070.5377793
224.05647C10H11NO50.49395770.57402170.55492881.85737191.4277700
224.06459no reference0.00000000.50161570.00000000.63970650.8077847
224.09288C11H15NO40.71901600.95967490.71401031.49308130.6167586
224.10098no reference0.42863510.76513570.35704190.82919840.7076437
225.00411C9H6O70.00000000.00000000.00000000.33783720.6551566
225.00745no reference0.00000000.00000000.00000001.75981820.0000000
225.01934C13H6O40.00000000.00000000.00000000.00000000.8219916
225.04043C10H10O60.52361250.49102000.44977732.14426274.9306364
225.05177C9H10N2O50.00000000.00000000.00000000.68764070.4225774
225.05574C14H10O30.00000000.00000000.00000000.73686472.0886686
225.07686C11H14O51.86423782.33127421.72111044.82783935.0850833
225.08808C10H14N2O40.31865240.00000000.26358610.66117940.3027523
225.09212C15H14O20.36652030.61830190.26976160.61368560.7411575
225.11323C12H18O41.59048572.09471051.83196062.91133151.9612044
226.02717no reference0.00000000.00000000.00000000.22142760.8143834
226.03576C9H9NO60.00000000.00000000.00000000.80822861.0395139
226.04387no reference0.00000000.00000000.00000000.22324920.5626868
226.05103C13H9NO30.00000000.00000000.00000000.43155520.8143153
226.05911no reference0.00000000.00000000.00000000.00000000.3363182
226.06360no reference0.00000000.00000000.00000000.28262530.4048864
226.07216C10H13NO50.62467900.80059940.45996661.69116250.9545148
226.08024no reference0.35009500.00000000.28935850.60338470.7343059
226.10852C11H17NO40.42739870.00000000.36414630.55434430.1680571
226.99855no reference0.00000000.00000000.00000000.00000000.4429946
227.00208no reference0.00000000.00000000.00000000.52428400.3223426
227.01976C9H8O70.00000000.00000000.00000000.76433421.6565030
227.02323no reference0.00000000.00000000.00000000.58774180.0000000
227.03501C13H8O40.00000000.00000000.00000001.21068703.9104212
227.04629C12H8N2O30.00000000.00000000.00000000.48799060.5104458
227.05614C10H12O61.19694741.43849800.90041923.36081334.4849824
227.07138C14H12O30.81263780.79311750.59854101.53753222.9109294
227.08265C13H12N2O20.00000000.00000000.27739780.56747280.3414444
227.09252C11H16O51.38650991.47473691.41574474.74660642.9796187
227.10776C15H16O20.90472180.82185041.00117771.17718701.0058238
227.12892C12H20O40.52927630.51181130.52003480.91055430.4872885
228.00647no reference0.00000000.00000000.00000000.00000000.5104778
228.03023C12H7NO40.32285320.00000000.00000000.43478110.9729557
228.03834no reference0.00000000.00000000.00000000.00000000.5614446
228.04284no reference0.00000000.00000000.22360340.00000001.0048226
228.05130C9H11NO60.34884330.00000000.19674190.92419750.5490220
228.05952no reference0.00000000.00000000.00000000.44349240.4419632
228.06664C13H11NO30.33045290.48080600.20481370.80129061.1440586
228.07471no reference0.00000000.00000000.00000000.00000000.3855608
228.08779C10H15NO50.40086470.00000000.27320291.14646490.3442311
228.09589no reference0.00000000.00000000.00000000.59162080.3273345
229.00242no reference0.00000000.00000000.00000000.67260570.0000000
229.01426C12H6O50.00000000.00000000.00000000.76783712.7966063
229.01764C9H10O5S0.00000000.00000000.00000000.60930150.2550301
229.03250no reference0.00000000.00000000.00000000.00000000.3560846
229.03541C9H10O70.00000000.00000000.29628700.91751241.8236811
229.05065C13H10O40.50596000.57659960.47473022.17335634.9161770
229.06188C12H10N2O30.00000000.00000000.30672890.57853150.6537069
229.07181C10H14O60.81612470.95151070.70964363.11959471.9906546
229.08703C14H14O31.34287621.69932461.25078472.24740633.0867799
229.09826C13H14N2O20.57284460.72277600.55878890.82877960.3153762
229.10818C11H18O50.47752530.50969870.26789491.57587650.5992671
229.12341C15H18O21.30169491.23408881.11545931.14991881.0196575
229.15980C16H22O0.00000000.00000000.25986800.00000000.0000000
230.00953C11H5NO50.00000000.00000000.00000000.34715260.5431025
230.01762no reference0.00000000.00000000.00000000.00000000.3294493
230.02211no reference0.00000000.00000000.00000000.00000001.0232683
230.04591C12H9NO40.00000000.00000000.25214371.01310171.5016107
230.05402no reference0.00000000.00000000.19903370.25087740.6749061
230.05848no reference0.00000000.00000000.00000000.25304750.7664106
230.08229C13H13NO30.85762280.69912480.70924321.19798111.0022785
230.09042no reference0.00000000.00000000.23890300.38533430.4779271
230.11867C14H17NO20.48458640.00000000.57205000.54098860.1379443
230.99356C11H4O60.00000000.00000000.00000000.43985891.2436162
231.02991C12H8O50.30671100.00000000.28345631.82471164.7150004
231.04118C11H8N2O40.00000000.00000000.00000000.62519420.5414539
231.05106C9H12O70.30206270.00000000.35418750.64619530.8577790
231.06629C13H12O41.21605161.28436341.27697073.28406776.0931757
231.07754C12H12N2O30.50187930.60287650.45884831.09012100.6705730
231.08741C10H16O60.33708350.00000000.21999131.24647220.3722981
231.10268C14H16O32.47306482.84612192.17011923.16462153.3302216
231.11392C13H16N2O20.66007720.83058220.65542810.78282360.1655885
231.13907C15H20O21.27351411.15495811.24084241.21388190.8511062
231.17544C16H24O0.30080490.00000000.00000000.00000000.0000000
232.00143no reference0.00000000.00000000.00000000.00000000.4335361
232.02519C11H7NO50.00000000.00000000.19283980.73432000.8571961
232.03328no reference0.00000000.00000000.00000000.29778590.5741146
232.03773no reference0.00000000.00000000.00000000.30758851.2497808
232.06156C12H11NO40.51114240.52190040.52301821.63479521.8297105
232.06969no reference0.00000000.00000000.00000000.42326000.8449467
232.07411no reference0.00000000.00000000.00000000.00000000.3836399
232.09792C13H15NO31.20292031.33888771.13974171.63916740.8343486
232.10606no reference0.33186020.59097930.32384930.52662600.5435586
232.92472no reference0.96135730.63736300.67252231.17398800.7976272
232.97280no reference0.00000000.00000000.00000000.00000000.3992979
233.00499no reference0.00000000.00000000.00000001.11317630.0000000
233.00917C11H6O60.00000000.00000000.00000001.05472722.5679758
233.04557C12H10O50.66311740.64219650.58587893.36575747.7891265
233.05677C11H10N2O40.00000000.53675050.33515941.18771310.9614385
233.06087C16H10O20.00000000.00000000.00000000.00000000.4952106
233.08195C13H14O42.40943412.76945692.50376525.00307187.3117501
233.09318C12H14N2O30.86845721.01500770.91971001.43966070.6082587
233.11833C14H18O33.00825863.25760632.99444563.68938843.4844687
233.12957C13H18N2O20.54202210.45449200.50085060.40341490.0000000
233.15472C15H22O23.95216093.32283422.80308270.89947780.6565082
234.00437C10H5NO60.00000000.00000000.00000000.25095610.4033649
234.01252no reference0.00000000.00000000.00000000.00000000.3604005
234.01703no reference0.00000000.00000000.00000000.27142641.2660320
234.02307C11H9NO3S0.00000000.00000000.00000000.00000000.3379808
234.04080C11H9NO50.00000000.00000000.35544941.56450742.1853434
234.04890no reference0.00000000.00000000.00000000.50386051.2290047
234.05339no reference0.00000000.00000000.00000000.34597750.9137813
234.07719C12H13NO41.24681871.46353001.27879142.91109202.3993941
234.08532no reference0.39853010.55217290.40128550.78870491.3950836
234.11358C13H17NO31.70282921.92722021.67055561.69002950.6856939
234.12170no reference0.65119690.58388310.56401990.61087040.5922628
234.15807no reference0.79459470.71850870.53998960.22122500.1448515
234.98842C10H4O70.00000000.00000000.00000000.41490920.9889771
235.00244no reference0.00000000.00000000.00000000.76351270.1251067
235.00708C11H8O4S0.00000000.00000000.00000000.40620070.3860611
235.02483C11H8O60.33541250.00000000.29731562.88541617.1141590
235.03246no reference0.00000000.00000000.00000000.00000000.3649670
235.03608C10H8N2O50.00000000.48229830.25952560.56658950.6584072
235.04016C15H8O30.00000000.00000000.00000000.33585711.0741860
235.04348C12H12O3S0.00000000.00000000.00000000.48116140.3505139
235.06120C12H12O51.67541592.05816171.74376026.092306810.4613118
235.06459C9H16O5S0.00000000.00000000.19707700.56774450.1804196
235.07244C11H12N2O40.76099300.73575750.58375181.79399921.0816893
235.07648C16H12O20.00000000.00000000.00000000.35051730.5579228
235.08059no reference0.29321610.51892690.00000000.32429720.3464375
235.09759C13H16O45.19710795.75626824.89503417.69611758.5545552
235.10884C12H16N2O31.28940691.04978191.08887381.47717280.2986561
235.13398C14H20O32.86243683.18121482.87923893.53583202.5054290
235.14522C13H20N2O20.29659410.00000000.30861310.00000000.0000000
235.17039C15H24O20.00000000.00000000.33102950.00000000.1946366
235.99628no reference0.00000000.00000000.00000000.00000000.4706893
236.02008C10H7NO60.00000000.00000000.00000000.59915420.8690558
236.02211no reference0.00000000.00000000.00000000.00000000.3359632
236.02829no reference0.00000000.00000000.00000000.31233980.8127563
236.03263no reference0.00000000.00000000.00000000.27747080.9424938
236.03531C14H7NO30.00000000.00000000.00000000.00000000.3744720
236.04027no reference0.00000000.00000000.00000000.00000000.3571280
236.04790no reference0.00000000.00000000.00000000.00000000.5396208
236.05647C11H11NO50.69688430.86256410.64491552.23665072.4871592
236.06457no reference0.00000000.00000000.22066010.81347161.4393508
236.06905no reference0.00000000.00000000.26065340.27808000.4710364
236.09285C12H15NO41.84421351.89987741.92893432.94642201.6012310
236.10097no reference0.67521650.68669710.58263521.18468531.2279874
236.10541no reference0.79237400.00000000.60783840.00000000.1619054
236.12925C13H19NO30.92613921.11680410.96469680.83016690.4572393
236.13734no reference0.33790460.00000000.42046210.55922430.3336451
236.90541no reference0.00000000.00000000.00000000.86481350.0000000
237.00411C10H6O70.00000000.00000000.00000000.81826681.7358934
237.01936C14H6O40.00000000.00000000.00000000.25061650.8419805
237.02281C11H10O4S0.00000000.00000000.00000000.34772900.3769914
237.02985no reference0.00000000.00000000.00000000.00000000.3427162
237.04049C11H10O60.34695210.69948850.46592663.24656027.2348262
237.05172C10H10N2O50.32736810.44551700.00000000.86858620.6603497
237.05573C15H10O30.00000000.00000000.00000000.61309021.6438063
237.07686C12H14O52.58393233.49668752.61058476.75716949.4906732
237.08810C11H14N2O40.82881760.93321370.66833421.47450810.5233873
237.09207C16H14O20.00000000.00000000.00000000.44921570.5008813
237.11324C13H18O44.45928015.05456384.33442986.30462885.1634386
237.14962C14H22O31.04910450.88889710.91044280.89802970.6867831
238.02719no reference0.00000000.00000000.00000000.00000000.5597680
238.03569C10H9NO60.00000000.00000000.00000001.09231301.4675160
238.03777no reference0.00000000.00000000.00000000.00000000.3442223
238.04383no reference0.00000000.00000000.00000000.37350100.8120165
238.04832no reference0.00000000.00000000.00000000.00000000.5480341
238.05099C14H9NO30.00000000.00000000.00000000.28215530.6407085
238.06345no reference0.00000000.00000000.19699480.00000000.5156177
238.07211C11H13NO50.78073711.17177350.88757682.51634481.7772351
238.08023no reference0.29110220.00000000.28296910.73731021.2633109
238.10851C12H17NO41.31014761.41287401.27621871.35512780.5441480
238.11663no reference0.67392090.73811620.58285670.84686730.6984565
239.01977C10H8O70.28814730.00000000.00000001.42474622.4634733
239.03499C14H8O40.00000000.00000000.00000000.72371842.1916107
239.03826C11H12O4S0.00000000.00000000.00000000.71643520.3067216
239.05613C11H12O60.88086911.07088550.95431983.61499346.2763042
239.06741C10H12N2O50.47820970.00000000.32176321.01050510.5513482
239.07139C15H12O30.32493420.00000000.23728860.83952721.8973118
239.09250C12H16O53.19304473.65093002.96064006.19308255.8974869
239.10374C11H16N2O40.51354260.82067150.48923720.77221860.1906149
239.10777C16H16O20.37683190.53842250.36241370.44285660.4317646
239.12890C13H20O42.12460082.64021972.23220742.73856061.6619291
240.00651no reference0.00000000.00000000.00000000.00000000.3318350
240.01506C9H7NO70.00000000.00000000.00000000.42143330.3670399
240.03032C13H7NO40.00000000.00000000.00000000.37958490.5606141
240.03837no reference0.00000000.00000000.00000000.00000000.3441219
240.04285no reference0.00000000.00000000.00000000.34204590.9154132
240.05129C10H11NO60.00000000.00000000.26562861.26191171.1518314
240.05952no reference0.00000000.00000000.00000000.42125430.6679842
240.06663C14H11NO30.00000000.00000000.20466060.43873490.7593856
240.08777C11H15NO50.68176190.97265890.66170041.81363300.7505768
240.09589no reference0.00000000.58445360.37861270.79771830.6957915
241.00237no reference0.00000000.00000000.000000016.09817730.0000000
241.01425C13H6O50.00000000.00000000.00000000.61685071.6731644
241.01763C10H10O5S0.00000000.00000000.00000000.77660060.4173633
241.03544C10H10O70.32796180.00000000.20798961.23770292.8081080
241.03799no reference0.00000000.00000000.20570350.00000000.3475229
241.05065C14H10O40.35065140.00000000.37434721.49201654.0409223
241.06192C13H10N2O30.00000000.48293730.00000000.41161360.6125906
241.07177C11H14O61.43394171.78103061.21594614.93561724.8764724
241.08308C10H14N2O50.00000000.00000000.23191300.66268050.1858524
241.08703C15H14O30.73386470.69584090.60271011.33651822.0850233
241.10816C12H18O51.47703812.04232001.57269383.96813962.4789850
241.12342C16H18O20.66935240.70199260.67118430.64532460.5911196
241.14459C13H22O40.40041580.47215810.42314180.60866630.2404172
241.15980C17H22O0.00000000.00000000.00000000.00000000.1568802
241.50404no reference0.00000000.00000000.00000000.67278590.0000000
242.00021no reference0.00000000.00000000.00000000.58651310.0000000
242.00575no reference0.00000000.00000000.00000000.78280160.0000000
242.00925no reference0.00000000.00000000.00000000.00000000.3235994
242.02203no reference0.00000000.00000000.00000000.33118541.1746349
242.03065C9H9NO70.00000000.00000000.00000000.25607580.3340964
242.03875no reference0.00000000.00000000.00000000.00000000.3326514
242.04591C13H9NO40.34440510.00000000.00000000.79548981.3425719
242.05385no reference0.00000000.00000000.00000000.28515050.5859667
242.05846no reference0.00000000.00000000.00000000.00000000.7889351
242.06701C10H13NO60.35482730.58101530.36244751.35904570.7091660
242.07510no reference0.30351470.00000000.00000000.52709800.5821134
242.08223C14H13NO30.41224490.52436680.41221330.91730760.9229407
242.09044no reference0.00000000.00000000.00000000.00000000.3943565
242.11150no reference0.32091290.00000000.23880480.56831260.3233633
242.99355no reference0.00000000.00000000.00000000.00000000.6839507
242.99692C9H8O6S0.00000000.00000000.00000000.45502910.3372394
243.01468C9H8O80.00000000.00000000.00000000.22162720.3229760
243.01830no reference0.00000000.00000000.00000001.12580290.0000000
243.02992C13H8O50.37720490.00000000.30546451.61998364.9665889
243.03329C10H12O5S0.00000000.00000000.00000001.80291900.2961175
243.04115C12H8N2O40.00000000.00000000.00000000.38671990.5814709
243.05107C10H12O70.58731730.74844200.59608142.08903732.8357334
243.06629C14H12O41.02335761.01335210.83305782.58079025.6041957
243.06966C11H16O4S0.00000000.00000000.00000000.63824270.1812313
243.07755C13H12N2O30.48751600.58156730.44216041.04471860.7775583
243.08744C11H16O61.21482961.60114821.06574124.78281152.5071591
243.10268C15H16O31.63073471.78504601.44490282.15179992.5971845
243.11391C14H16N2O20.48120880.61813130.51428690.80297250.2481323
243.12381C12H20O50.38825630.55323200.31299771.24744370.4011849
243.13906C16H20O21.09435571.32239951.03240050.85972440.7075307
244.00137no reference0.00000000.00000000.00000000.25154720.5587014
244.01958no reference0.00000000.00000000.00000000.00000000.3582462
244.02523C12H7NO50.00000000.00000000.00000000.50487531.0948924
244.03329no reference0.00000000.00000000.19721470.28901370.6875798
244.03775no reference0.00000000.00000000.00000000.40645911.3619383
244.06156C13H11NO40.46095000.58625960.38314461.57745221.9470992
244.06967no reference0.00000000.00000000.00000000.35496160.8585457
244.07411no reference0.00000000.00000000.00000000.28847050.6022374
244.08269C10H15NO60.00000000.00000000.00000000.76292500.2518355
244.09792C14H15NO30.98525441.04920660.93610821.13960010.8883488
244.10609no reference0.00000000.00000000.26534260.32197660.4626941
245.00917C12H6O60.00000000.00000000.00000000.92480803.1551817
245.02735no reference0.00000000.00000000.00000000.00000000.4240934
245.03031C9H10O80.00000000.00000000.00000001.26166770.6541104
245.04556C13H10O50.54863630.60751870.51725082.93734038.1299351
245.04895C10H14O5S0.00000000.00000000.00000000.56904660.2870616
245.05680C12H10N2O40.00000000.65365590.37417411.20146011.0517201
245.06081C17H10O20.00000000.00000000.00000000.00000000.3359288
245.06672C10H14O70.44464150.58979190.38309611.58262631.1259152
245.08194C14H14O41.80594112.23967871.95823133.86427906.7847991
245.09317C13H14N2O30.70918171.08984680.80775791.58809090.8290695
245.10307C11H18O60.44014030.50936660.20954871.58360020.5975389
245.11832C15H18O32.35876672.81285342.44489772.99609863.2127257
245.12958C14H18N2O20.64047650.76424900.61957380.58820200.1433266
245.15471C16H22O20.68133021.08959630.86095580.94527340.5928957
246.01254no reference0.00000000.00000000.00000000.00000000.3321563
246.01698no reference0.00000000.00000000.00000000.00000000.9040672
246.03518no reference0.00000000.00000000.00000000.00000000.3637142
246.04077C12H9NO50.00000000.00000000.26762571.43375512.1182987
246.04893no reference0.00000000.00000000.00000000.44627621.1320208
246.05338no reference0.00000000.00000000.00000000.35866311.1528754
246.07723C13H13NO41.16204121.09735801.00760492.12507552.1919445
246.08529no reference0.47445960.54133660.21949460.56084111.0002207
246.11359C14H17NO31.33591211.27841171.30424481.24123570.6015124
246.12171no reference0.42796550.00000000.35372270.64156850.5576017
246.33402no reference0.00000000.00000000.00000001.22595760.0000000
246.98843C11H4O70.00000000.00000000.00000000.28031771.0039829
246.99172C8H8O7S0.00000000.00000000.00000000.00000000.3202473
247.00598no reference0.00000000.00000000.00000001.26582600.0000000
247.02481C12H8O60.00000000.00000000.21956942.15112685.7899466
247.03606C11H8N2O50.00000000.00000000.22018340.74494270.6015934
247.04006C16H8O30.00000000.00000000.00000000.00000000.5082654
247.04604C9H12O80.00000000.00000000.00000000.22517300.3180992
247.06120C13H12O51.24151021.35010851.19970244.56266889.2659430
247.06454C10H16O5S0.00000000.00000000.00000000.77231850.3093248
247.07243C12H12N2O40.66593840.87082940.54648721.47632201.1586394
247.07647C17H12O20.00000000.00000000.00000000.25911160.4352772
247.09759C14H16O43.50959634.19396163.51113585.41628816.7920586
247.10882C13H16N2O31.29208081.24283201.35783791.51468420.4313558
247.13397C15H20O32.61850802.87059052.49989412.90351222.4964846
247.14521C14H20N2O20.33249140.00000000.36750580.26729570.0000000
247.17036C16H24O20.74092470.83745480.68968250.34554890.2775325
248.02009C11H7NO60.00000000.00000000.00000000.56220660.8316264
248.02815no reference0.00000000.00000000.00000000.40227550.6899138
248.03269no reference0.00000000.00000000.00000000.38871051.0834618
248.04788no reference0.00000000.00000000.00000000.00000000.5196735
248.05645C12H11NO50.47588920.00000000.47459491.79747692.1479966
248.06456no reference0.00000000.00000000.00000000.70435821.2472008
248.06904no reference0.00000000.00000000.23940460.00000000.4753161
248.09285C13H15NO41.74577321.91850601.58216502.71082031.5972519
248.10096no reference0.51329900.51282430.45881810.68044721.0129874
248.12922C14H19NO30.98711981.14306910.89672280.82077660.2444248
248.13733no reference0.40013090.00000000.44605170.39946200.4103134
248.89597no reference0.85434291.18543180.44317490.30404920.5510679
248.99977no reference0.00000000.45487870.00000002.50355830.0000000
249.00410C11H6O70.00000000.00000000.00000000.81204582.4478525
249.02266C12H10O4S0.00000000.00000000.00000000.33404280.3228299
249.04047C12H10O60.33707170.64696560.54801153.45089138.1152725
249.05173C11H10N2O50.00000000.00000000.00000000.95450120.8225950
249.05572C16H10O30.00000000.00000000.00000000.38703231.2121511
249.05983no reference0.00000000.00000000.00000000.29702170.3259807
249.07686C13H14O52.50510542.86931362.58143096.313762510.2714593
249.08023C10H18O5S0.00000000.00000000.00000001.04481790.3159331
249.08809C12H14N2O40.95839960.90858080.98929092.09108120.9158563
249.09212C17H14O20.00000000.00000000.00000000.00000000.3573670
249.11324C14H18O45.09402485.90094485.20188036.47934166.6594662
249.12447C13H18N2O31.07115951.06854020.96303080.91845410.1566029
249.14962C15H22O31.89566271.67121971.44395341.77110141.3094762
249.18601C16H26O20.67029040.00000000.36028080.00000000.0000000
250.00762no reference0.00000000.00000000.00000003.86879510.3504983
250.01189no reference0.00000000.00000000.00000000.21936370.7421192
250.01800C11H9NO4S0.00000000.00000000.00000000.34407750.3492772
250.01956no reference0.00000000.00000000.00000000.00000000.3415688
250.02715no reference0.00000000.00000000.00000000.00000000.6047774
250.03571C11H9NO60.00000000.00000000.00000001.25283691.5875805
250.03753no reference0.29422030.00000000.21320450.00000000.3695991
250.04380no reference0.00000000.00000000.00000000.48097761.0231379
250.04828no reference0.00000000.00000000.00000000.00000000.7440482
250.05099C15H9NO30.00000000.00000000.00000000.00000000.4594180
250.06354no reference0.00000000.00000000.00000000.00000000.4676434
250.07209C12H13NO51.03563091.57351731.11358832.80469322.5894155
250.08024no reference0.33219050.51129740.45050360.81207251.5878581
250.10849C13H17NO42.28052252.14164521.95722352.30796731.0590685
250.11661no reference0.80572160.90743550.78165841.02123091.1067655
250.14484C14H21NO37.73252691.31094923.67014050.37337340.2752959
250.50933no reference0.00000000.00000000.00000000.61211720.0000000
250.89397no reference0.93565860.89680850.43806930.35240400.6356923
250.98339C10H4O80.00000000.00000000.00000000.29511530.5184862
251.00201C11H8O5S0.00000000.00000000.00000000.42163590.3243975
251.01972C11H8O70.00000000.00000000.00000001.95066923.6050642
251.02740no reference0.00000000.00000000.00000000.00000000.3398332
251.03499C15H8O40.00000000.00000000.00000000.40258032.0197242
251.03836C12H12O4S0.00000000.00000000.00000000.43484000.4357257
251.04555no reference0.00000000.00000000.00000000.00000000.4143556
251.05612C12H12O61.20702091.32040091.19718265.334547410.6768118
251.05933no reference0.00000000.00000000.00000000.57683810.1461324
251.06737C11H12N2O50.32224060.59219610.41745041.51439650.9887795
251.07138C16H12O30.31272340.00000000.23210800.62381701.7240492
251.07546no reference0.00000000.00000000.00000000.44243000.4183491
251.09250C13H16O55.33102276.00890545.39917909.173882411.7108575
251.09595C10H20O5S0.00000000.00000000.00000000.61265120.0000000
251.10374C12H16N2O41.35714621.43325571.30491221.84069660.5612337
251.10776C17H16O20.00000000.00000000.00000000.33163360.3735451
251.12889C14H20O44.48045375.04400814.63015395.66861964.5080688
251.14824no reference1.16767320.00000000.62197990.00000000.0000000
251.16527C15H24O30.44592530.61550480.50945940.46483400.4217953
252.02312no reference0.00000000.00000000.00000000.27957280.4004713
252.02752no reference0.00000000.00000000.00000000.22274740.6389196
252.03030C14H7NO40.00000000.00000000.00000000.26974080.5960754
252.03521no reference0.00000000.00000000.00000000.00000000.5030573
252.04280no reference0.00000000.00000000.00000000.26418830.8662531
252.05136C11H11NO60.49284300.58186000.37815301.88605412.1344436
252.05950no reference0.00000000.00000000.00000000.72398571.3655186
252.06393no reference0.37045610.00000000.00000000.26076080.4383623
252.06664C15H11NO30.00000000.00000000.00000000.46081220.7391326
252.07922no reference0.00000000.00000000.00000000.00000000.3540683
252.08777C12H15NO51.81291982.30344511.72886003.28702231.9329228
252.09588no reference0.79952360.98634660.77616331.27461501.6492219
252.12413C13H19NO41.21327131.35071281.21755311.12045170.4361976
252.13224no reference0.67390080.70319670.80148050.79816120.6841440
252.33752no reference0.00000000.00000000.00000000.67521020.0000000
252.99913no reference0.00000000.00000000.00000000.25595370.3528971
253.00767no reference0.00000000.00000000.00000001.09879740.0000000
253.01427C14H6O50.00000000.00000000.00000000.33337161.5266242
253.01764C11H10O5S0.00000000.00000000.00000000.58203980.5105099
253.02484no reference0.00000000.00000000.00000000.00000000.3531050
253.03539C11H10O70.00000000.00000000.25289002.45824945.1647737
253.04303no reference0.00000000.00000000.00000000.00000000.3428165
253.04663C10H10N2O60.00000000.00000000.00000000.59175350.4298817
253.05065C15H10O40.00000000.50245380.00000001.05983483.2128661
253.05404C12H14O4S0.00000000.00000000.00000000.69335790.2983899
253.06187C14H10N2O30.00000000.00000000.00000000.39926020.5132310
253.07177C12H14O62.34574753.12743562.46862736.49472229.1280596
253.08303C11H14N2O50.57888430.61889810.52464851.43978910.5210784
253.08703C16H14O30.44889910.00000000.45001540.70483201.4242148
253.10815C13H18O54.94164166.60916535.08974618.39521127.1012697
253.11940C12H18N2O40.62575900.85404690.82390920.73524300.2558589
253.12341C17H18O20.53762180.00000000.36200250.33802400.3246508
253.14454C14H22O41.46661961.64838701.51359342.00110311.2873917
254.02220no reference0.00000000.00000000.00000000.00000000.8580343
254.03064C10H9NO70.00000000.00000000.00000000.65307900.8450266
254.03877no reference0.00000000.00000000.00000000.33974100.6353139
254.04322no reference0.00000000.00000000.00000000.26013970.3540907
254.04591C14H9NO40.00000000.00000000.00000000.69065061.0329228
254.05397no reference0.00000000.00000000.00000000.23901880.4519276
254.05853no reference0.00000000.00000000.00000000.00000000.8167407
254.06704C11H13NO60.69153340.73532550.62475012.36243921.6698409
254.07515no reference0.45493660.52826620.29449040.92712131.1568114
254.08224C15H13NO30.00000000.00000000.00000000.42204730.6301544
254.10342C12H17NO51.30862581.39229581.30255831.68739100.6639492
254.11152no reference0.62204080.70925560.72762851.12814670.9627926
254.99355no reference0.00000000.00000000.00000000.00000000.4639905
255.01467C10H8O80.00000000.00000000.00000000.41517820.8379240
255.02991C14H8O50.00000000.00000000.00000001.23055803.5056252
255.03330C11H12O5S0.00000000.00000000.00000001.64923340.3875269
255.04117C13H8N2O40.00000000.00000000.00000000.40826130.5289650
255.05104C11H12O70.68640381.01267980.90294653.08188294.8939870
255.06230C10H12N2O60.00000000.00000000.00000000.61225950.4039952
255.06629C15H12O40.00000000.55727820.49596311.77086933.9202357
255.06967C12H16O4S0.00000000.00000000.00000000.62567380.2550215
255.07752C14H12N2O30.37362770.00000000.25109850.66312330.5659267
255.08741C12H16O63.06168374.08695303.05357147.88165786.8040511
255.09867C11H16N2O50.30016790.00000000.44154470.69450460.2175042
255.10267C16H16O30.80805000.67233180.91521721.15930831.5429837
255.12382C13H20O52.10101553.14742112.24306214.62645942.3386147
255.13905C17H20O20.50685770.46644140.57029500.44347290.4237354
256.00138no reference0.00000000.00000000.00000000.00000000.3314886
256.00766no reference0.00000000.00000000.00000000.56663860.0000000
256.02514C13H7NO50.00000000.00000000.21099320.39954640.8329570
256.03328no reference0.00000000.00000000.00000000.28031150.5840134
256.03774no reference0.00000000.00000000.00000000.31078091.4106153
256.04626C10H11NO70.00000000.00000000.00000000.55001150.6116822
256.05440no reference0.00000000.00000000.00000000.30040350.5096824
256.06156C14H11NO40.00000000.00000000.26781420.94052531.5248680
256.06493C11H15NO4S0.00000000.00000000.00000000.38358710.4409257
256.06966no reference0.00000000.00000000.00000000.00000000.6361857
256.07420no reference0.00000000.00000000.00000000.00000000.5175641
256.08268C11H15NO60.62585700.77497970.54153651.87802440.7242150
256.09076no reference0.36846080.54786130.39505830.98592790.8651025
256.09794C15H15NO30.42465300.00000000.37345220.64403280.5666729
256.12717no reference0.32657520.50846070.25965040.57721010.2754712
256.33755no reference0.00000000.00000000.00000000.55835240.0000000
256.99739no reference0.00000000.00000000.00000002.92400370.0000000
257.00924C13H6O60.00000000.00000000.00000005.51908621.6841860
257.02732no reference0.00000000.00000000.00000000.00000000.3277791
257.03033C10H10O80.00000000.47398530.00000000.62736331.1299993
257.04556C14H10O50.00000000.50925260.34254801.89000565.4067174
257.04906no reference0.00000000.00000000.00000003.73222470.8821576
257.05677C13H10N2O40.00000000.00000000.00000000.54518440.7919270
257.06664C11H14O70.98278761.50586470.93164273.61399223.2744856
257.08194C15H14O40.91021991.08255740.94736782.10049974.1626187
257.09318C14H14N2O30.45242800.58755500.30597360.91045100.5322138
257.10308C12H18O61.53096411.98430991.43503714.58730252.3469870
257.11833C16H18O31.38981251.34915381.21512491.55206151.6460626
257.13947C13H22O50.36578980.59979180.48262140.93291230.3357179
257.15470C17H22O20.70381190.60374140.52265740.51994400.4013445
257.34387no reference0.00000000.00000000.00000001.10366580.0000000
257.67467no reference0.00000000.00000000.00000000.66699380.0000000
258.00506no reference0.00000000.00000000.00000001.11962700.0000000
258.01701no reference0.00000000.00000000.00000000.24586081.1091334
258.03520no reference0.00000000.00000000.00000000.00000000.3635067
258.04080C13H9NO50.00000000.00000000.00000000.85190401.4572573
258.04889no reference0.00000000.00000000.00000000.31356920.8333490
258.05338no reference0.00000000.00000000.00000000.28376831.0027303
258.06193C10H13NO70.33701380.00000000.00000000.56560700.3142288
258.07000no reference0.29958840.00000000.00000000.43517380.3676383
258.07720C14H13NO40.41566700.00000000.50934401.21868801.6044097
258.08530no reference0.00000000.00000000.24878310.35074820.6276987
258.08975no reference0.00000000.00000000.00000000.00000000.3402811
258.09841C11H17NO60.00000000.00000000.26650140.80669130.2330849
258.10642no reference0.00000000.00000000.00000000.63456060.2982293
258.11358C15H17NO30.66800300.62531190.49769310.67012860.4247321
258.98841no reference0.00000000.00000000.00000000.30504260.5110225
259.01294no reference0.00000000.00000000.00000007.23815180.0000000
259.02482C13H8O60.00000000.00000000.27690041.40243684.7383938
259.02829C10H12O6S0.00000000.00000000.00000000.63191240.3406457
259.03605C12H8N2O50.00000000.00000000.00000000.49012920.5001507
259.04007C17H8O30.00000000.00000000.00000000.00000000.3711364
259.04301no reference0.00000000.00000000.00000000.00000000.3262447
259.04594C10H12O80.00000000.00000000.24902261.35351841.0219910
259.06121C14H12O50.74453510.50595180.80092583.23713287.9187132
259.06450C11H16O5S0.00000000.00000000.00000000.57710790.2729574
259.07243C13H12N2O40.59653320.00000000.50434471.30617861.0519319
259.08230C11H16O70.60712060.94958240.60376372.49034171.4036339
259.09759C15H16O41.90265962.48933942.02299703.19003675.0186580
259.10884C14H16N2O31.01754720.80341490.81118901.49118070.4626792
259.11872C12H20O60.00000000.63006780.34306551.34951920.4245846
259.13397C16H20O31.73909201.95512891.71744092.00697031.9465373
259.14520C15H20N2O20.44492580.00000000.26974450.23440010.0000000
259.17036C17H24O20.34333980.69814760.39269490.33151460.2192449
259.99613no reference0.00000000.00000000.00000000.00000000.4122477
260.02009C12H7NO60.00000000.00000000.00000000.32922480.8196997
260.02819no reference0.00000000.00000000.00000000.00000000.6816350
260.03267no reference0.00000000.00000000.00000000.24976091.3283943
260.04793no reference0.00000000.00000000.00000000.00000000.3181311
260.05645C13H11NO50.32562590.46709530.46962601.57721122.5266584
260.06460no reference0.00000000.00000000.00000000.60724301.2799426
260.06905no reference0.00000000.00000000.00000000.00000000.7043501
260.09283C14H15NO41.22249251.32038520.99487791.84075281.5180826
260.10091no reference0.56069230.00000000.37623310.66514950.7779959
260.12923C15H19NO30.89062030.85851650.72545350.80566130.3491421
260.13733no reference0.37644980.46995550.26181850.31178570.3568511
261.00409C12H6O70.00000000.00000000.00000000.76252672.7329179
261.02267C13H10O4S0.00000000.00000000.00000000.35626540.3548219
261.03988no reference0.00000000.00000000.00000000.00000000.3456175
261.04048C13H10O60.35645530.48725090.40340393.25673619.3823495
261.04383C10H14O6S0.00000000.00000000.00000000.99547830.4379135
261.05169C12H10N2O50.00000000.00000000.42174951.16566821.2932161
261.05572C17H10O30.00000000.00000000.00000000.34795330.9712478
261.05982no reference0.00000000.00000000.00000000.33290120.3980642
261.06161C10H14O80.00000000.00000000.24176040.59470990.5629028
261.07685C14H14O52.47579172.69542892.30997225.531593210.4901768
261.08025C11H18O5S0.00000000.00000000.00000000.61061370.3470652
261.08808C13H14N2O41.11756701.16978251.10624912.47280201.1864002
261.09796C11H18O70.00000000.00000000.22493100.97654640.2362562
261.11324C15H18O44.22675975.28006884.39625125.75835366.3061011
261.12447C14H18N2O31.35636911.18868261.31144471.32712390.3460011
261.14962C16H22O31.78564352.04397661.89200881.89329051.6987455
261.18601C17H26O20.39184270.00000000.00000000.31901360.1320588
262.00747no reference0.00000000.00000000.00000000.00000000.3443336
262.01196no reference0.33983200.00000000.00000000.00000000.7549160
262.01790C12H9NO4S0.00000000.00000000.00000000.00000000.3257168
262.02718no reference0.00000000.00000000.00000000.00000000.3374866
262.03011no reference0.00000000.00000000.00000000.00000000.3350779
262.03571C12H9NO60.00000000.00000000.00000001.21188752.0906948
262.03776no reference0.00000000.00000000.00000000.00000000.3562423
262.04388no reference0.00000000.00000000.00000000.45811541.2658830
262.04831no reference0.00000000.00000000.00000000.29335881.2262395
262.05096C16H9NO30.00000000.00000000.00000000.00000000.4296118
262.06346no reference0.00000000.00000000.00000000.00000000.4516713
262.07212C13H13NO51.21299581.24125181.16899822.70839023.1514452
262.08022no reference0.32464490.54536760.39829880.79795091.7065101
262.08468no reference0.00000000.00000000.25003620.30031180.4014984
262.10847C14H17NO41.93603642.59776342.12404032.49644631.4082193
262.11661no reference0.60479660.86305000.80824140.99157171.0877655
262.14487C15H21NO30.62862960.64505850.62864400.45096270.1930793
262.15297no reference0.43035190.00000000.33312230.00000000.3210275
262.98338C11H4O80.00000000.00000000.00000000.00000000.3229879
263.00513no reference0.30091820.00000000.00000000.69534110.0000000
263.01975C12H8O70.00000000.00000000.00000002.03694785.7660693
263.02739no reference0.00000000.00000000.00000000.00000000.4142884
263.03099C11H8N2O60.00000000.00000000.00000000.58770070.5820867
263.03495C16H8O40.00000000.00000000.00000000.49808471.4600329
263.03829C13H12O4S0.00000000.00000000.00000000.31524080.3614822
263.04088C9H12O90.00000000.00000000.00000002.17412070.0000000
263.04555no reference0.33438420.00000000.00000000.00000000.3485950
263.05612C13H12O61.16029781.44912351.31560965.605096912.4603750
263.05947C10H16O6S0.00000000.00000000.00000001.16743290.3628429
263.06738C12H12N2O50.56911630.61958890.50565611.76018241.4283749
263.07135C17H12O30.00000000.00000000.00000000.65553131.3009092
263.07546no reference0.00000000.00000000.00000000.39502810.4695931
263.09250C14H16O55.28081285.54388255.23100528.938962812.3733809
263.09587C11H20O5S0.00000000.00000000.00000000.93740180.0000000
263.10373C13H16N2O42.75566632.59352972.51242313.12412700.9641449
263.12888C15H20O45.54053896.31053055.54147366.63206535.7214765
263.14012C14H20N2O30.85325750.95607460.81757730.70943500.1569717
263.16527C16H24O30.96194821.45949501.17454800.92709010.8282171
264.00512no reference0.00000000.00000000.00000000.84802280.0000000
264.01533no reference0.00000000.00000000.00000000.42085130.5796004
264.02317no reference0.00000000.00000000.00000000.00000000.7117470
264.02754no reference0.00000000.00000000.00000000.25171031.0818253
264.03025C15H7NO40.00000000.00000000.00000000.00000000.3599084
264.03526no reference0.00000000.00000000.00000000.00000000.4751580
264.04277no reference0.00000000.00000000.00000000.32528940.8877366
264.05139C12H11NO60.53443690.53440670.48147842.00281302.6474832
264.05336no reference0.00000000.00000000.00000000.00000000.3254967
264.05940no reference0.00000000.00000000.21930060.80202111.6499181
264.06391no reference0.00000000.00000000.00000000.00000000.6551744
264.06675no reference0.00000000.00000000.00000000.26168320.4761235
264.07920no reference0.00000000.00000000.00000000.00000000.3221947
264.08776C13H15NO52.52063263.08106412.48372903.82512712.9426120
264.09587no reference0.67302120.83355190.64931641.38554761.8544715
264.12414C14H19NO42.17821582.19278021.84005091.74304450.7466480
264.13223no reference0.79225821.24224410.81286020.98860480.9240135
264.99903C11H6O80.00000000.00000000.00000000.59495771.6585105
265.01295no reference0.00000000.00000000.000000017.78898070.0000000
265.01423C15H6O50.00000000.00000000.00000000.00000001.0059022
265.01757C12H10O5S0.00000000.00000000.00000000.46349380.5800064
265.03539C12H10O70.00000000.47423480.35621053.24497176.8630060
265.04293no reference0.00000000.00000000.00000000.00000000.4113496
265.04659C11H10N2O60.00000000.00000000.24458200.66567200.6586076
265.05063C16H10O40.00000000.00000000.00000000.84338792.3565482
265.05401C13H14O4S0.00000000.00000000.00000000.36908600.3718441
265.06187C15H10N2O30.00000000.00000000.22400820.22376730.3873304
265.07177C13H14O62.75754983.44928123.00861037.472755612.7600299
265.07513C10H18O6S0.00000000.00000000.00000000.89364570.2685545
265.08301C12H14N2O51.07243081.13965151.05236462.06821891.1335101
265.08702C17H14O30.00000000.00000000.00000000.56437581.1041904
265.09113no reference0.44907430.46579990.34037940.66033510.3760103
265.10815C14H18O57.93538539.48303317.966028710.720191610.6368840
265.11153C11H22O5S0.00000000.00000000.00000001.01552500.0000000
265.11938C13H18N2O42.22947612.27965571.91752311.90143200.3929089
265.14454C15H22O43.57989984.05701653.30993754.19231183.0638110
265.14792C12H26O4S3.66293154.48407952.96356326.60506500.5299778
265.51464no reference0.00000000.00000000.00000002.61500170.0000000
266.01107no reference0.00000000.48957500.00000001.51112620.0000000
266.01286C11H9NO5S0.00000000.00000000.00000000.25731660.3168428
266.02206no reference0.00000000.00000000.00000000.31534190.7708548
266.03065C11H9NO70.00000000.00000000.00000000.83801900.7746408
266.03265no reference0.00000000.00000000.00000000.00000000.4139921
266.03877no reference0.00000000.00000000.00000000.43919200.7641109
266.04329no reference0.00000000.00000000.00000000.00000000.4712905
266.04594C15H9NO40.00000000.00000000.00000000.33789240.6743621
266.05413no reference0.00000000.00000000.00000000.00000000.3440661
266.05838no reference0.30107780.00000000.00000000.00000000.7579866
266.06703C12H13NO60.98685521.05324241.09838882.56504202.3252267
266.07520no reference0.49763560.00000000.39270430.96487611.6081967
266.08228C16H13NO30.00000000.00000000.00000000.29944560.4930764
266.10340C13H17NO52.84468463.10314872.67413922.99039681.4603600
266.11152no reference1.24483841.28541691.01085081.43344601.4723362
266.13980C14H21NO40.79713690.94086000.88751440.52799870.2617898
266.14790no reference0.56298960.53948720.52770260.48344920.4330641
266.15128no reference0.44545920.62852370.31425760.69035930.0000000
267.01457C11H8O80.00000000.00000000.00000000.76964971.4253156
267.02987C15H8O50.00000000.00000000.00000000.66810812.3541939
267.03325C12H12O5S0.00000000.00000000.00000000.50441370.4564517
267.05102C12H12O70.58559520.98081140.72912103.41632546.5927828
267.06227C11H12N2O60.32197220.55565950.31249110.92916110.6018142
267.06627C16H12O40.31632650.00000000.39144600.98924972.4458727
267.06967C13H16O4S0.00000000.00000000.00000000.57767630.2612115
267.07041no reference0.00000000.00000000.00000000.33155750.3245831
267.07752C15H12N2O30.00000000.00000000.00000000.42156910.3176321
267.08741C13H16O64.91061686.32569914.97349438.904383710.1789010
267.09865C12H16N2O51.34923961.38407001.01472211.66879550.5228730
267.10270C17H16O30.29744110.00000000.35119100.56614740.8254328
267.12379C14H20O55.59214166.18593925.30403647.20006755.2184678
267.13503C13H20N2O40.58328010.58980480.69204800.65373360.0000000
267.16020C15H24O40.76387611.01253620.77396001.26347930.7947400
268.00147no reference0.00000000.00000000.00000000.00000000.3353443
268.02513C14H7NO50.00000000.00000000.00000000.32260660.5429598
268.03008no reference0.00000000.00000000.00000000.00000000.3446376
268.03333no reference0.00000000.00000000.00000000.00000000.3327653
268.03773no reference0.00000000.00000000.00000000.27150251.0297677
268.04629C11H11NO70.00000000.00000000.20918001.06824841.2099551
268.04835no reference0.00000000.00000000.00000000.00000000.3488028
268.05441no reference0.00000000.00000000.00000000.42864390.8460030
268.06156C15H11NO40.00000000.00000000.00000000.62086611.0875832
268.06965no reference0.00000000.00000000.00000000.24209880.4607154
268.07407no reference0.00000000.00000000.00000000.00000000.4693878
268.08267C12H15NO61.42823361.65109021.40678742.82331261.6823798
268.09078no reference0.73326270.49912270.68342731.33701091.4936592
268.09795C16H15NO30.00000000.00000000.00000000.27229750.3626400
268.11907C13H19NO51.32328651.79358011.26806211.42757080.4713866
268.12721no reference0.93868630.90386780.82801331.29125020.7612138
269.00916C14H6O60.00000000.00000000.00000000.36106211.5050049
269.01254C11H10O6S0.00000000.00000000.00000000.48190640.4409533
269.03031C11H10O80.00000000.00000000.20333611.00485752.0481819
269.04556C15H10O50.00000000.00000000.24900401.52003924.5027977
269.04890C12H14O5S0.36915800.00000000.25056542.43277310.5624338
269.05679C14H10N2O40.00000000.00000000.20910930.55753690.7265846
269.06668C12H14O71.62695972.18819591.96891805.32501977.0240371
269.07793C11H14N2O60.00000000.79112120.37527271.01165990.5071682
269.08196C16H14O40.64760730.68189740.49052671.36879062.9773377
269.08520C13H18O4S0.00000000.00000000.00000000.60172580.1988965
269.09318C15H14N2O30.35508930.00000000.24641500.71207030.4131872
269.10307C13H18O65.51066977.23297545.73867129.97475677.6005273
269.11440C12H18N2O50.74459170.67614410.59998420.70849140.1976767
269.11832C17H18O30.71810520.69167440.71746870.89258011.0811806
269.13123C14H23O3P0.86872551.85251032.83162560.00000000.0000000
269.13940C14H22O51.96490562.19183211.81837483.19098571.6437666
270.01698no reference0.00000000.00000000.00000000.22936160.7512168
270.02557C10H9NO80.00000000.00000000.00000000.00000000.3540908
270.03521no reference0.00000000.00000000.00000000.00000000.3574638
270.04081C14H9NO50.00000000.00000000.00000000.70621531.5462289
270.04422C11H13NO5S0.00000000.00000000.00000000.37045020.3281789
270.04893no reference0.00000000.00000000.00000000.24915140.7055184
270.05335no reference0.00000000.00000000.00000000.27990901.0365035
270.06195C11H13NO70.00000000.00000000.24423661.25101700.9763500
270.07008no reference0.33521470.00000000.24560330.71805380.9382897
270.07719C15H13NO40.31422930.69436660.30008050.77334771.2566109
270.08521no reference0.00000000.00000000.00000000.29027590.5553421
270.08975no reference0.00000000.48222880.00000000.24715250.3386434
270.09833C12H17NO61.06612171.48411250.94961811.92934940.7754489
270.10644no reference0.81179781.13599310.80353031.32446251.0744989
270.98836no reference0.00000000.00000000.00000000.24930500.4289666
271.01289no reference0.00000000.00000000.00000002.55921260.0000000
271.02488C14H8O60.00000000.47595580.00000001.25220474.4109729
271.02820C11H12O6S0.00000000.00000000.00000000.84937140.5141071
271.03603C13H8N2O50.00000000.00000000.20364120.36141370.6671769
271.04311no reference0.00000000.00000000.00000000.00000000.3658566
271.04595C11H12O80.41107560.00000000.45673191.75197062.6638920
271.06119C15H12O50.40277430.68561100.33818962.32614816.5897346
271.06456C12H16O5S0.00000000.00000000.26182816.09483081.6449914
271.07245C14H12N2O40.31009190.66361280.28140011.12632771.0183989
271.08234C12H16O72.21389703.40995002.41894786.69450075.6878388
271.09355C11H16N2O60.00000000.55678630.00000000.57734240.1334685
271.09759C16H16O41.29324781.21058091.16381531.98674453.6106673
271.10882C15H16N2O30.60018690.55892440.53318270.98503310.4550251
271.11870C13H20O62.31785643.04061222.43121765.45195362.8213708
271.13397C17H20O31.11838830.97557340.97791801.29676571.3351407
271.15511C14H24O50.00000000.55220300.00000000.67075820.3167908
272.02007C13H7NO60.00000000.00000000.00000000.30385120.8889294
272.02077no reference0.00000000.00000000.00000000.81268890.0000000
272.02819no reference0.00000000.00000000.00000000.00000000.5973137
272.03270no reference0.00000000.00000000.00000000.31577901.4535798
272.05646C14H11NO50.00000000.00000000.21752671.12885352.1651057
272.06459no reference0.34049590.00000000.00000000.26273471.1007791
272.06808no reference0.35095840.00000000.00000000.77221000.1664304
272.06898no reference0.00000000.00000000.00000000.32737550.7541711
272.07759C11H15NO70.34498130.00000000.31365690.88741030.4832377
272.08570no reference0.35573480.00000000.38723150.78228720.7267106
272.09285C15H15NO40.72966700.47142210.67834951.19817101.2311377
272.10094no reference0.30243050.00000000.22458390.33463170.6578166
272.11393C12H19NO60.39193970.47763770.29015750.65962520.1857907
272.12209no reference0.44885860.68159390.35751500.68760650.3767665
272.12921C16H19NO30.50366020.51614080.47098510.51359420.2585581
273.00407C13H6O70.00000000.00000000.00000000.46542911.8098869
273.00744C10H10O7S0.00000000.00000000.00000000.35168670.4387676
273.02524C10H10O90.00000000.00000000.00000000.36115690.3830885
273.02857no reference0.00000000.00000000.00000001.12858660.0000000
273.04047C14H10O60.31848520.52044500.34861492.51814227.8094619
273.04384C11H14O6S0.00000000.00000000.00000001.78445980.4222862
273.05172C13H10N2O50.36452730.00000000.29556130.70918561.0358715
273.05568C18H10O30.00000000.00000000.00000000.00000000.6304171
273.06160C11H14O80.59585380.91768160.43108412.19937352.0842316
273.07685C15H14O51.32354191.58636081.44478293.67887988.0660484
273.08023C12H18O5S0.00000000.00000000.00000000.57887600.3273085
273.08809C14H14N2O41.02928030.87860380.84715961.95659561.3048464
273.09799C12H18O71.23088161.77194261.23145103.80804121.8728001
273.11324C16H18O42.41706842.71018882.24671103.05493734.1611319
273.12448C15H18N2O30.86604511.21806030.92433301.12107000.3468924
273.13430C13H22O60.45620390.00000000.43064431.43037340.4005431
273.14963C17H22O31.14602971.14714661.10990081.49908181.2671337
273.18602C18H26O20.00000000.00000000.00000000.26439470.2038930
274.01194no reference0.00000000.00000000.00000000.27523600.8617355
274.03012no reference0.00000000.00000000.00000000.00000000.3947515
274.03571C13H9NO60.00000000.00000000.00000001.01749441.5909497
274.04391no reference0.00000000.00000000.00000000.38347391.0691106
274.04826no reference0.00000000.00000000.00000000.33764941.3672656
274.05094C17H9NO30.00000000.00000000.00000000.00000000.3652952
274.06355no reference0.00000000.00000000.00000000.00000000.3776847
274.06489no reference0.00000000.00000000.00000000.00000000.3145024
274.07209C14H13NO50.56475581.05995870.58350291.89284332.7810932
274.08022no reference0.00000000.00000000.28661510.70176291.2845388
274.08465no reference0.00000000.00000000.00000000.00000000.4630994
274.09315C11H17NO70.00000000.00000000.00000000.56963090.1454157
274.10134no reference0.00000000.00000000.00000000.56271250.2607172
274.10849C15H17NO41.31503121.21966101.11042791.58694351.1309207
274.11660no reference0.47122660.00000000.37429910.59555010.6906406
274.98327no reference0.00000000.00000000.00000000.00000000.3904781
275.00782no reference0.00000000.00000000.00000000.88224260.0000000
275.01968C13H8O70.00000000.00000000.00000001.64336084.6149590
275.02734no reference0.00000000.00000000.00000000.00000000.3360051
275.03107C12H8N2O60.00000000.00000000.00000000.40770000.4300562
275.03491C17H8O40.00000000.00000000.00000000.25104620.7465878
275.03791no reference0.00000000.00000000.00000000.00000000.4841540
275.04106no reference0.00000000.00000000.00000000.30345710.3372448
275.04558no reference0.00000000.00000000.00000000.00000000.3275407
275.05612C14H12O61.00402791.08925480.80294214.179692910.5097804
275.05950C11H16O6S0.40180220.47176180.26486863.14350580.5800990
275.06734C13H12N2O50.51368790.79393640.46102931.45800271.5607340
275.07139C18H12O30.00000000.00000000.00000000.32103140.9262263
275.07546no reference0.00000000.00000000.21654090.29912090.4282696
275.07720C11H16O80.00000000.46558530.30521171.13146380.6154768
275.09250C15H16O53.66941993.72643683.41960085.78496188.8821826
275.09587C12H20O5S0.00000000.00000000.00000000.68547790.2743414
275.10373C14H16N2O42.08883752.11731931.79790862.68878231.0207267
275.11367C12H20O70.00000000.00000000.24636130.82155810.3082394
275.12888C16H20O43.96069794.29223653.83400424.45744154.2768921
275.14013C15H20N2O30.82037290.56294780.72109520.59456100.1666486
275.16527C17H24O31.23810631.04993301.13906631.13098720.8810138
275.16867C14H28O3S0.00000000.00000000.00000001.31416540.0000000
275.20166C18H28O20.00000000.00000000.00000000.00000000.1389502
276.01503C12H7NO70.00000000.00000000.00000000.24195050.5038340
276.02310no reference0.00000000.00000000.00000000.00000000.6445151
276.02755no reference0.00000000.00000000.00000000.35933621.1035168
276.03362C13H11NO4S0.00000000.00000000.00000000.00000000.3192091
276.03519no reference0.00000000.00000000.00000000.00000000.3381021
276.04279no reference0.00000000.00000000.00000000.28765680.5930345
276.04594no reference0.00000000.00000000.00000000.00000000.3465683
276.05135C13H11NO60.32624020.00000000.30649371.62768492.4425994
276.05948no reference0.00000000.00000000.00000000.66748861.5134472
276.06259C12H11N3O50.00000000.00000000.00000000.35521250.3896890
276.06392no reference0.00000000.00000000.25009450.00000000.7167852
276.06648C17H11NO30.00000000.00000000.00000000.00000000.3680779
276.08776C14H15NO51.71697731.94693191.73286623.08145852.4293872
276.09587no reference0.51742510.77839980.50750850.94838951.3218377
276.12414C15H19NO41.37887821.65446531.43154801.47024920.6389469
276.12751C12H23NO4S0.00000000.00000000.00000004.55659740.0000000
276.13224no reference0.71512710.81988320.61797000.70154610.6412187
276.62935no reference0.00000000.00000000.00000001.13137900.0000000
276.99899C12H6O80.00000000.00000000.00000000.40862870.9339937
277.01424C16H6O50.00000000.00000000.00000000.00000000.4511451
277.01765C13H10O5S0.00000000.00000000.00000000.33324730.3362057
277.03536C13H10O70.00000000.00000000.27641242.73122297.3615297
277.03872C10H14O7S0.41416680.00000000.00000000.60106680.2613586
277.04301no reference0.00000000.00000000.00000000.00000000.3369989
277.04663C12H10N2O60.00000000.00000000.00000000.64118700.8871951
277.05064C17H10O40.00000000.00000000.00000000.38909021.5198451
277.05653C10H14O90.00000000.00000000.00000001.67974260.0000000
277.06988no reference0.00000000.00000000.00000000.00000000.3156817
277.07177C14H14O62.35178912.69641212.39425166.042996211.5043135
277.07513C11H18O6S0.00000000.00000000.00000001.04111020.3666995
277.08300C13H14N2O51.13886931.58954581.10198342.30636191.4193611
277.08702C18H14O30.31964150.00000000.00000000.28233110.5808527
277.09111no reference0.00000000.00000000.29339580.45534310.3628118
277.10815C15H18O56.37250087.03873885.96238097.85948418.8382677
277.11938C14H18N2O42.53612442.74844472.39024112.50010460.5321260
277.13551no reference0.00000000.00000000.00000000.76586390.0000000
277.14382no reference0.00000000.00000000.25144180.00000000.1499362
277.14453C16H22O43.86197114.07622573.49070173.77543322.8575556
277.15577C15H22N2O30.00000000.56066210.00000000.22558820.1326874
277.18091C17H26O30.42626520.92567570.53988590.61249200.3830527
278.00687no reference0.00000000.00000000.00000000.00000000.3862738
278.02206no reference0.00000000.00000000.00000000.00000000.4039631
278.03065C12H9NO70.00000000.00000000.00000000.62520381.1233343
278.03262no reference0.00000000.00000000.00000000.00000000.3621519
278.03871no reference0.00000000.00000000.00000000.48287440.9061196
278.04320no reference0.00000000.00000000.00000000.00000000.7099654
278.04590C16H9NO40.00000000.00000000.00000000.00000000.4999771
278.05844no reference0.00000000.00000000.00000000.00000000.5779580
278.06704C13H13NO60.87893641.39625400.88728482.36351612.7444670
278.07510no reference0.00000000.00000000.36225930.86058401.7478655
278.07959no reference0.00000000.00000000.00000000.00000000.3821147
278.10341C14H17NO52.69367293.00227442.49760603.18848822.0003216
278.11152no reference0.95915011.24795520.82361191.16054311.4162637
278.13978C15H21NO40.77399391.11841800.84089960.81543350.6029472
278.14312C12H25NO4S0.00000000.00000000.00000000.79443330.0000000
278.14788no reference0.71603900.64353890.66174690.64306010.5742473
279.01467C12H8O80.00000000.00000000.00000001.25896233.0476407
279.02224no reference0.00000000.00000000.00000000.00000000.3143841
279.02989C16H8O50.00000000.00000000.00000000.44340321.8277676
279.03323C13H12O5S0.00000000.00000000.00000000.45505710.4436058
279.04043no reference0.00000000.00000000.00000000.00000000.4021042
279.05103C13H12O70.89807231.01039660.70180423.94946029.0608433
279.05440C10H16O7S0.00000000.00000000.00000000.74852030.2275277
279.06227C12H12N2O60.40266740.00000000.45457011.25933131.0364071
279.06633C17H12O40.00000000.00000000.00000000.58203471.8467661
279.07043no reference0.00000000.00000000.00000000.35518700.3775353
279.08741C14H16O65.61417156.34544925.57179309.034745412.9657641
279.09081C11H20O6S0.00000000.00000000.00000000.87986830.1391745
279.09866C13H16N2O52.22583162.28499292.17384432.96231921.0496242
279.10268C18H16O30.00000000.00000000.23814520.33191370.5851858
279.10675no reference0.47943540.61401530.31339220.49664080.3680741
279.12380C15H20O57.70988598.60034637.46938479.86311658.1303191
279.13505C14H20N2O41.33158911.52599301.29441741.20119280.3094705
279.16018C16H24O41.82363571.85690651.57655982.01523861.3051108
279.19655C17H28O30.00000000.00000000.23204770.00000000.0000000
280.01794no reference0.00000000.00000000.00000000.00000000.4485930
280.02247no reference0.00000000.00000000.00000000.00000000.3862024
280.02522C15H7NO50.00000000.00000000.00000000.00000000.4204780
280.03333no reference0.00000000.00000000.00000000.00000000.3371646
280.03772no reference0.00000000.00000000.00000000.25614150.9692983
280.04628C12H11NO70.00000000.00000000.27352261.22750741.7535037
280.04832no reference0.00000000.00000000.00000000.00000000.3613580
280.05432no reference0.00000000.00000000.20418710.59524691.3419241
280.05878no reference0.00000000.00000000.00000000.00000000.4808408
280.06155C16H11NO40.00000000.00000000.00000000.38779170.7982670
280.06962no reference0.00000000.00000000.00000000.00000000.3475942
280.07409no reference0.00000000.00000000.00000000.00000000.4819431
280.08267C13H15NO62.39865882.74019042.41882303.85536782.8081976
280.09077no reference0.86980470.89961720.82947111.36808192.1061717
280.11905C14H19NO52.50261862.87297482.48841342.71794471.0231258
280.12717no reference1.60737611.45642291.17941721.61669301.4437916
281.00919C15H6O60.00000000.00000000.00000000.30403971.2870652
281.01257C12H10O6S0.00000000.00000000.00000000.38327750.4395751
281.03033C12H10O80.00000000.00000000.00000001.97901534.1935936
281.03796no reference0.00000000.00000000.00000000.00000000.3784247
281.04154C11H10N2O70.00000000.00000000.00000000.29193440.3572266
281.04557C16H10O50.00000000.00000000.00000001.00340313.3272115
281.04894C13H14O5S0.00000000.00000000.00000000.83224320.5525556
281.05681C15H10N2O40.00000000.00000000.00000000.31415030.4614303
281.06488no reference0.00000000.00000000.00000000.00000000.3525651
281.06669C13H14O72.59340703.33567232.85092936.440111711.2358842
281.07006C10H18O7S0.00000000.00000000.00000000.70703140.0000000
281.07792C12H14N2O60.97629071.09825510.77714381.94308870.9176112
281.08193C17H14O40.00000000.00000000.26558370.99721602.2103037
281.08604no reference0.44862800.81846590.38638580.65489590.4570274
281.10143no reference0.00000000.00000000.00000000.31303210.3462528
281.10306C14H18O610.598956612.713971310.672350613.777915014.0142601
281.11430C13H18N2O52.40875122.26621322.16755192.26453400.5704548
281.11831C18H18O30.41064520.00000000.29419120.32477840.6143661
281.12240no reference0.45062530.73338380.47632810.41909910.1556059
281.13944C15H22O55.65760276.33651165.21868307.07814665.0217170
281.17582C16H26O40.47948530.00000000.50410080.58103930.3711041
281.51565no reference0.00000000.00000000.00000000.93243880.0000000
282.01702no reference0.00000000.00000000.00000000.00000000.9041848
282.02557C11H9NO80.00000000.00000000.00000000.42222790.4733339
282.03365no reference0.00000000.00000000.00000000.28457210.5976345
282.03517no reference0.00000000.00000000.00000000.00000000.3472452
282.04093C15H9NO50.00000000.00000000.00000000.37088131.1562277
282.04417C12H13NO5S0.00000000.00000000.00000000.39188220.3164461
282.04576no reference0.00000000.00000000.00000000.00000000.3916043
282.04892no reference0.00000000.00000000.00000000.00000000.6748584
282.05334no reference0.00000000.00000000.00000000.00000001.1256698
282.06193C12H13NO70.71378601.06957930.78369802.07137932.0385800
282.07000no reference0.40358200.47631980.40331130.94669921.6654053
282.07721C16H13NO40.00000000.00000000.21420540.56098231.0134848
282.08516no reference0.00000000.00000000.00000000.00000000.3704085
282.09830C13H17NO63.39063654.27902533.37247733.85897631.7756667
282.10643no reference1.69945601.90145361.69011922.31683492.0785021
282.13478C14H21NO51.30207181.41240761.08034201.06991690.4464303
282.14282no reference1.03089261.20884270.77779461.26086480.8489260
282.98874no reference0.00000000.00000000.00000000.00000000.4212979
282.99187C11H8O7S0.00000000.00000000.00000000.34172550.3222574
283.00955C11H8O90.00000000.00000000.00000000.36448810.5158665
283.01709no reference0.00000000.00000000.00000000.70061860.2073539
283.02485C15H8O60.00000000.00000000.23171330.90164173.0492879
283.02822C12H12O6S0.00000000.00000000.00000000.76604910.6275036
283.03541no reference0.00000000.00000000.00000000.00000000.4098072
283.03612C14H8N2O50.00000000.00000000.00000000.42233330.4079833
283.04302no reference0.00000000.00000000.00000000.00000000.3440444
283.04596C12H12O80.54494070.77340750.66579862.59952964.6645009
283.05369no reference0.00000000.00000000.00000000.00000000.3423588
283.05715C11H12N2O70.30327960.00000000.00000000.55774640.3876466
283.06119C16H12O50.48092550.58226750.36177431.36487075.0284544
283.06457C13H16O5S0.00000000.00000000.25513564.96955530.6051376
283.07248C15H12N2O40.00000000.00000000.26556330.55938680.7596528
283.08060no reference0.00000000.00000000.00000000.31694090.4441889
283.08235C13H16O76.28290628.72428246.629331811.201733511.9242819
283.09357C12H16N2O60.99240241.36638621.01217731.79617380.6094069
283.09758C17H16O40.57998640.73782860.75144881.26909752.3593800
283.10163no reference0.66409780.61747540.54112660.60035900.2589448
283.10879C16H16N2O30.34650390.00000000.32862980.47648090.3177228
283.11871C14H20O68.635685511.80121019.174619412.12721788.9366805
283.12997C13H20N2O50.74489081.10562610.74331090.61984510.1661347
283.13397C18H20O30.63163660.57736340.57458480.65856900.8302038
283.15514C15H24O51.63382691.91976731.47944262.59905541.3901745
284.02008C14H7NO60.00000000.00000000.00000000.34386640.6149760
284.02815no reference0.00000000.00000000.00000000.00000000.4672757
284.03263no reference0.00000000.00000000.00000000.00000001.3355863
284.04120C11H11NO80.00000000.00000000.00000000.49163100.4588798
284.04933no reference0.00000000.00000000.22012220.34614560.5379616
284.05641C15H11NO50.00000000.00000000.21792040.88511921.7636863
284.06442no reference0.00000000.00000000.00000000.30287150.8282024
284.06770C14H11N3O40.00000000.00000000.00000000.00000000.3357517
284.06809no reference0.00000000.00000000.00000000.60549790.0000000
284.06904no reference0.00000000.00000000.00000000.00000000.8337775
284.07759C12H15NO71.12811651.71805611.31313932.50932311.4107475
284.08571no reference0.82505331.18539420.86584191.60520931.7325790
284.09282C16H15NO40.41770260.00000000.34672670.62959650.9844396
284.10094no reference0.00000000.00000000.00000000.35003550.4683131
284.11397C13H19NO61.38684661.64895641.63632131.88756610.6417558
284.12208no reference1.26512371.95204291.18010242.10485551.2969122
285.00408C14H6O70.00000000.00000000.00000000.42988361.1874011
285.00751C11H10O7S0.00000000.00000000.00000000.52402230.3523341
285.02529C11H10O90.00000000.00000000.00000000.33556560.6859355
285.04047C15H10O60.00000000.00000000.27474221.74782186.1408195
285.04385C12H14O6S0.00000000.00000000.00000001.13686490.5918514
285.05169C14H10N2O50.00000000.00000000.00000000.65537120.8765856
285.05572C19H10O30.00000000.00000000.00000000.00000000.4157951
285.05983no reference0.00000000.00000000.00000000.26716590.3716778
285.06164C12H14O81.50769382.04539661.52533344.36427025.2769151
285.07684C16H14O50.76307111.04477900.77928022.37978345.7818246
285.08023C13H18O5S0.00000000.00000000.24851129.11111701.7245254
285.08810C15H14N2O40.55698890.62250700.44567541.01887810.9580782
285.09799C13H18O76.18750848.69981436.670548611.20485847.8983670
285.09872C14H22O2S20.00000000.00000000.00000000.00000000.3718181
285.10923C12H18N2O60.41077330.54796930.41891300.65155340.1894296
285.11323C17H18O41.25860651.67890921.15086091.94302492.6116963
285.12448C16H18N2O30.43269550.62121970.43224080.56852400.2580159
285.13437C14H22O62.73905723.68791852.84950314.98725272.4580777
285.14961C18H22O30.92233430.71284890.70724610.91096870.9141714
285.51441no reference0.00000000.00000000.00000001.17308860.0000000
286.01192no reference0.00000000.00000000.00000000.00000000.6175899
286.01813no reference0.00000000.00000000.00000001.81056190.2118431
286.03012no reference0.00000000.00000000.00000000.00000000.4710603
286.03571C14H9NO60.00000000.00000000.00000000.74524281.5194889
286.04384no reference0.00000000.00000000.00000000.24232370.9870506
286.04831no reference0.00000000.00000000.00000000.00000001.3722019
286.05686C11H13NO80.00000000.00000000.00000000.55259870.4238474
286.06497no reference0.00000000.00000000.26214790.66591730.6870390
286.07211C15H13NO50.51601310.70085770.36056311.23165742.2557932
286.08024no reference0.00000000.00000000.31341960.43503470.9860895
286.08353no reference0.00000000.00000000.26800430.97843860.2494783
286.08466no reference0.00000000.00000000.00000000.00000000.3655192
286.09323C12H17NO70.74061531.00394670.63406261.49932520.6247533
286.10129no reference0.87404781.45003440.89902981.36288341.1329659
286.10848C16H17NO40.62246370.99294940.67276061.03003210.8310951
286.11660no reference0.00000000.00000000.31621080.31064380.5071311
286.13778no reference0.57269020.78984140.29811890.80133590.3861706
287.00784no reference0.00000000.00000000.00000000.67767020.0000000
287.01973C14H8O70.00000000.00000000.00000001.00536453.7540652
287.02305C11H12O7S0.00000000.00000000.00000000.66061640.4082557
287.03091C13H8N2O60.00000000.00000000.21161870.23702590.4891613
287.03498C18H8O40.00000000.00000000.00000000.00000000.4928782
287.03790no reference0.00000000.00000000.00000000.00000000.3525764
287.04083C11H12O90.00000000.00000000.00000000.77751720.9390783
287.05610C15H12O60.65172800.00000000.51917332.72474018.3511014
287.05950C12H16O6S0.00000000.00000000.24662392.01485030.5725805
287.06736C14H12N2O50.42962080.63142140.34515071.22010901.3735107
287.07142C19H12O30.00000000.00000000.00000000.00000000.5237836
287.07542no reference0.00000000.00000000.00000000.42433580.3673766
287.07725C12H16O81.64561542.00384701.55740663.96875013.2318164
287.09250C16H16O51.92991652.01187341.89285373.34917556.1613323
287.09581C13H20O5S0.00000000.53624380.31579610.72914900.2914283
287.10374C15H16N2O41.00112991.43702360.93212822.10371251.0076335
287.11364C13H20O72.54102953.21774662.34138064.62134781.9406410
287.12887C17H20O42.27466702.16795212.17811972.59655982.8340049
287.14014C16H20N2O30.41414470.96066160.55704110.47502300.2046245
287.15003C14H24O60.40962080.73859090.32804000.94698950.2384016
287.16526C18H24O30.76757070.48102970.56267500.84259550.7738354
288.01498C13H7NO70.00000000.00000000.00000000.24617340.6287395
288.02311no reference0.00000000.00000000.00000000.00000000.5111850
288.02756no reference0.00000000.00000000.00000000.00000000.9332270
288.04283no reference0.00000000.00000000.00000000.00000000.4430485
288.04577no reference0.00000000.00000000.00000000.00000000.4036802
288.05140C14H11NO60.00000000.00000000.32513721.18925842.2663906
288.05943no reference0.00000000.55965560.00000000.40186121.2370278
288.06239no reference0.00000000.00000000.00000000.25959220.3276973
288.06390no reference0.00000000.00000000.00000000.00000000.7979174
288.08059no reference0.00000000.00000000.23026600.43014740.3777007
288.08770C15H15NO50.93848340.99280580.81311491.71852382.0444977
288.09585no reference0.41601000.00000000.21721980.44951070.9427298
288.10880C12H19NO70.00000000.00000000.00000000.56052350.1736849
288.12415C16H19NO40.92445590.97107130.86798491.02708860.6087874
288.13225no reference0.46757710.00000000.31686430.36630160.5117432
288.99899C13H6O80.00000000.00000000.00000000.24940341.0385979
289.02352no reference0.00000000.00000000.000000018.18375710.0000000
289.03538C14H10O70.00000000.00000000.00000001.84317056.3756531
289.03873C11H14O7S0.00000000.00000000.00000000.74361780.3153758
289.04660C13H10N2O60.00000000.00000000.00000000.80115760.8917262
289.05060C18H10O40.00000000.00000000.00000000.35304580.9081071
289.05462no reference0.00000000.00000000.00000000.00000000.3226208
289.05653C11H14O90.00000000.00000000.24883730.56912110.5600538
289.07175C15H14O61.58442641.51193801.31626004.08161109.6198437
289.07512C12H18O6S0.32135480.58767170.31784080.98530970.4663828
289.08301C14H14N2O50.94907240.90797010.80628972.05512291.5861843
289.08718no reference0.00000000.00000000.00000000.00000000.4480758
289.09292C12H18O80.59901370.49624480.55353531.74436490.7750003
289.10815C16H18O53.61703724.19493273.43911754.78762076.2429612
289.11938C15H18N2O42.09225202.00086871.76434311.94150550.6419612
289.12927C13H22O70.00000000.00000000.31818010.92085720.2233615
289.14453C17H22O42.64059373.04368252.50326272.85654822.6218839
289.18091C18H26O30.36018540.49124670.41386710.50079160.3982867
290.00686no reference0.00000000.00000000.00000000.00000000.3554649
290.02208no reference0.00000000.00000000.00000000.00000000.4198528
290.02686no reference0.00000000.00000000.00000001.30017550.0000000
290.03071C13H9NO70.30464230.00000000.00000000.64612511.1098352
290.03874no reference0.00000000.00000000.00000000.35075310.8593087
290.04323no reference0.00000000.00000000.00000000.30074071.0522974
290.04582C17H9NO40.00000000.00000000.00000000.00000000.3276274
290.05846no reference0.00000000.00000000.00000000.00000000.5527585
290.06703C14H13NO60.53794420.82772680.68192391.87314182.7535432
290.07513no reference0.00000000.00000000.22428310.54070241.4479121
290.07823C13H13N3O50.00000000.00000000.00000000.41451760.3566055
290.07970no reference0.00000000.00000000.00000000.26196050.4835209
290.10340C15H17NO51.97447322.21173971.74257372.46844351.7258340
290.11148no reference0.60097060.78528770.51191890.75198601.0924966
290.11464C14H17N3O40.44462300.00000000.46970970.45294140.1380334
290.13977C16H21NO40.77077320.92240620.70044240.72176290.3407453
290.14791no reference0.58478420.68428800.44986250.56334940.4352097
291.01464C13H8O80.00000000.00000000.00000000.82430912.4689437
291.01930no reference0.00000000.00000000.00000000.92870520.0000000
291.02987C17H8O50.00000000.00000000.00000000.23359521.1495479
291.03327C14H12O5S0.00000000.00000000.00000000.24509730.3671673
291.05104C14H12O70.40571830.90666160.71937073.29521218.9284149
291.05441C11H16O7S0.00000000.00000000.26775151.17027550.6005237
291.06226C13H12N2O60.00000000.57924900.36513511.15243201.1463842
291.06627C18H12O40.00000000.00000000.00000000.39580691.2325548
291.07029no reference0.00000000.00000000.00000000.30124430.3826902
291.08741C15H16O64.38483184.67568944.09368196.565469911.1088290
291.09078C12H20O6S0.00000000.00000000.00000000.84859520.3885418
291.09864C14H16N2O52.15793382.42778972.09149103.10147821.3905818
291.10268C19H16O30.00000000.00000000.00000000.00000000.4429153
291.12379C16H20O56.51774467.20804726.09654606.71696886.6169634
291.13503C15H20N2O41.82066532.15137061.65211371.51733900.3030973
291.16019C17H24O42.53855722.48267242.29869672.24592621.7294858
291.19658C18H28O30.00000000.00000000.22970880.00000000.0000000
292.01798no reference0.00000000.00000000.00000000.00000000.3701604
292.02247no reference0.00000000.00000000.00000000.00000000.5194446
292.03013no reference0.00000000.00000000.00000000.00000000.3429750
292.03773no reference0.00000000.00000000.00000000.00000000.6674906
292.04631C13H11NO70.38222350.00000000.34844011.21056111.7267941
292.05441no reference0.00000000.00000000.00000000.40137451.3483886
292.05890no reference0.00000000.00000000.00000000.00000000.5682448
292.06148C17H11NO40.00000000.00000000.00000000.00000000.4999007
292.07411no reference0.00000000.00000000.00000000.00000000.4315572
292.08260C14H15NO61.97671962.28432841.94370673.16616242.9987031
292.09078no reference0.61658510.93908330.60593890.95819551.7782790
292.09390C13H15N3O50.33124830.00000000.35770030.52920260.2426653
292.11905C15H19NO52.62901812.95184712.41966832.53833571.2481822
292.12716no reference1.05457980.96529621.05480161.10860191.1614618
292.13016C14H19N3O40.43213610.00000000.31348690.34399530.0000000
292.15542C16H23NO40.54003850.00000000.52475970.39088490.2005824
292.16354no reference0.39245130.00000000.42461740.41291800.2718868
292.89148no reference0.72130730.00000000.48105521.11402430.6541285
292.99390C12H6O90.00000000.00000000.00000000.00000000.6343137
293.00913C16H6O60.00000000.00000000.00000000.00000000.6358978
293.01246C13H10O6S0.00000000.00000000.00000000.31261860.3914965
293.01696no reference0.00000000.00000000.00000000.63114720.0000000
293.03030C13H10O80.00000000.00000000.21791331.99703205.0038109
293.04154C12H10N2O70.00000000.00000000.00000000.36020670.4354095
293.04555C17H10O50.00000000.00000000.00000000.75515042.4126466
293.04892C14H14O5S0.00000000.00000000.00000000.54811970.4398838
293.05680C16H10N2O40.00000000.00000000.00000000.00000000.3367828
293.06462no reference0.30976410.00000000.00000000.00000000.3143804
293.06667C14H14O72.25782382.70640202.48577205.998545112.2167908
293.07011C11H18O7S0.00000000.00000000.00000001.44034030.4409176
293.07790C13H14N2O61.22010011.38716931.13830252.39204091.6087597
293.08193C18H14O40.00000000.00000000.00000000.45210341.4368323
293.08600no reference0.34686110.00000000.21064180.54120430.5219959
293.10307C15H18O610.519442511.600179310.205935012.040871313.7860284
293.11429C14H18N2O53.72748413.85300923.25480373.35175650.8193267
293.11836C19H18O30.00000000.00000000.00000000.00000000.3930180
293.12242no reference0.65383250.57498240.50527530.40877140.1452442
293.13944C16H22O57.22609377.19083076.50622137.43484255.7570515
293.15068C15H22N2O40.75513430.86176670.63792840.44452380.0000000
293.17584C17H26O45.99922782.07799374.87895551.15872610.8036386
293.17923C14H30O4S1.19437361.14505700.76472681.74552710.2773599
293.52085no reference0.00000000.00000000.00000003.70431700.0000000
293.77168no reference0.00000000.00000000.00000001.10634900.0000000
294.00775C12H9NO6S0.00000000.00000000.00000000.00000000.3352656
294.01702no reference0.00000000.00000000.00000000.00000000.5992144
294.01993no reference0.00000000.00000000.00000000.73504250.0000000
294.02561C12H9NO80.00000000.00000000.00000000.30322760.4765668
294.02767no reference0.00000000.00000000.00000000.00000000.3412548
294.03364no reference0.00000000.00000000.00000000.38352810.7790582
294.03811no reference0.00000000.00000000.00000000.00000000.4870293
294.04081C16H9NO50.00000000.00000000.00000000.24796630.7839453
294.04415C13H13NO5S0.00000000.00000000.00000000.00000000.3332033
294.04572no reference0.00000000.00000000.00000000.00000000.4797342
294.04890no reference0.00000000.00000000.00000000.00000000.4220582
294.05331no reference0.00000000.00000000.00000000.00000000.8083794
294.06193C13H13NO70.95004281.05528340.98773052.36082702.6783856
294.07004no reference0.39228120.00000000.50943110.98766101.9736068
294.07320C12H13N3O60.00000000.00000000.24282010.00000000.3273551
294.07450no reference0.00000000.00000000.00000000.00000000.3376103
294.07720C17H13NO40.00000000.00000000.00000000.32305000.6903443
294.09831C14H17NO64.52404644.92887664.43029084.75756052.6951818
294.10642no reference1.86870672.04633561.81095952.22390352.4727364
294.10954C13H17N3O50.53422820.60157070.55749890.74573450.1361672
294.11767no reference0.51438470.65540820.59876130.68164130.1720521
294.13470C15H21NO52.12577542.23890731.94969041.75364060.6494656
294.14280no reference1.51267321.37417221.20765111.36616361.0974553
294.17919no reference1.08473460.52154220.85068570.36724700.1904157
294.18259no reference0.00000000.00000000.00000000.34843180.0000000
294.84339no reference1.18728071.40821180.40188600.46600790.4945182
295.00930no reference0.00000000.00000000.00000000.56398760.9354986
295.01996C13H13O4SP0.00000000.00000000.00000002.64158330.0000000
295.02481C16H8O60.00000000.00000000.00000000.58189432.4070020
295.02819C13H12O6S0.00000000.00000000.00000000.43543720.5617741
295.03547no reference0.00000000.00000000.00000000.00000000.5003129
295.04593C13H12O80.57005220.86846940.76166103.59425707.6512785
295.05359no reference0.00000000.00000000.00000000.00000000.3781478
295.05719C12H12N2O70.34080420.00000000.00000000.84136940.7461613
295.06120C17H12O50.00000000.00000000.00000001.07443923.3631369
295.06457C14H16O5S0.00000000.48046070.00000001.02114920.5330073
295.06522no reference0.00000000.00000000.22383990.33465690.4006547
295.07245C16H12N2O40.00000000.00000000.00000000.50681950.5231657
295.08041no reference0.00000000.00000000.00000000.23703040.3821760
295.08233C14H16O78.50834669.82915409.382665512.120713915.8872898
295.08575C11H20O7S0.00000000.00000000.00000001.11510760.2258378
295.09356C13H16N2O62.82103663.23789892.80043523.59426201.1627683
295.09760C18H16O40.00000000.00000000.00000000.82183001.4573444
295.10167no reference0.69136800.94263360.70021970.74766090.3613576
295.11871C15H20O616.956288019.276301317.016736018.229077414.2707041
295.11954C16H24OS20.70307770.00000000.00000000.00000000.0000000
295.12995C14H20N2O52.91204382.73267782.63896062.16793010.3223351
295.13398C19H20O30.43148430.00000000.29808910.39566280.4012101
295.13732C16H24O3S0.00000000.00000000.00000001.08136650.1417358
295.15510C16H24O53.74966674.54135733.65511394.46779292.7662835
295.15589no reference0.00000000.47410460.00000000.00000000.0000000
295.19154C17H28O40.00000000.00000000.00000000.23294530.1473661
295.35440no reference0.00000000.00000000.00000000.63224560.0000000
296.02009C15H7NO60.00000000.00000000.00000000.00000000.5128386
296.02500no reference0.00000000.00000000.00000000.00000000.3447656
296.02817no reference0.00000000.00000000.00000000.00000000.3870938
296.03265no reference0.00000000.00000000.00000000.00000001.0968978
296.04122C12H11NO80.00000000.00000000.00000000.76827591.0528497
296.04321no reference0.00000000.00000000.00000000.00000000.4107710
296.04923no reference0.00000000.00000000.00000000.54182311.0456923
296.05645C16H11NO50.00000000.00000000.00000000.56428121.3251269
296.06456no reference0.00000000.00000000.00000000.00000000.6201415
296.06903no reference0.00000000.00000000.00000000.23668050.7749318
296.07759C13H15NO72.57074093.04189652.58774774.20180352.6617315
296.08572no reference1.40697541.61318011.53501971.75190602.3542170
296.08877C12H15N3O60.30813950.00000000.00000000.56118910.2205388
296.09290C17H15NO40.33167950.48987750.27319570.34693570.6239977
296.11397C14H19NO64.62195075.23674584.53083854.32465431.4121271
296.12208no reference2.87264833.05018752.75859732.84320852.3233856
296.12520C13H19N3O50.49131130.00000000.29065110.56453120.0000000
296.15036C15H23NO50.68411320.92833930.68436720.71784980.2220917
296.15846no reference0.72388630.86402260.65972260.71002100.4882772
296.92648no reference0.00000000.00000000.00000000.69711400.0000000
297.00410C15H6O70.00000000.00000000.00000000.32918831.1816212
297.00750C12H10O7S0.00000000.00000000.00000000.35880780.4352710
297.02521C12H10O90.00000000.00000000.00000000.71484741.9248071
297.03296no reference0.00000000.00000000.00000000.00000000.3834811
297.04048C16H10O60.00000000.00000000.00000001.35991704.5944359
297.04382C13H14O6S0.00000000.00000000.00000001.08763900.6112620
297.05172C15H10N2O50.00000000.00000000.00000000.55291560.7259956
297.06160C13H14O82.77047483.15130882.94157135.82416808.8649599
297.07285C12H14N2O70.50148020.67201910.52799101.19191630.6764422
297.07685C17H14O50.00000000.00000000.32636701.40386413.8643306
297.08020C14H18O5S0.00000000.00000000.00000009.54259680.7344632
297.08095no reference0.35675760.51051330.27727170.44166450.3681018
297.08809C16H14N2O40.00000000.00000000.00000000.63497940.6533177
297.09567no reference0.00000000.00000000.00000000.00000000.3152444
297.09798C14H18O714.772487117.694734415.455665217.283414915.6715898
297.10922C13H18N2O62.24406252.71674942.39781452.49686570.6322584
297.11323C18H18O40.65534230.76921580.69214900.87849091.5132329
297.11735no reference0.82564000.79445200.57438640.71801340.1989986
297.13436C15H22O69.969962111.714832110.133142511.92088087.8254156
297.14963C19H22O30.51859450.00000000.45818780.46121570.5086495
297.15300C16H26O3S5.02262762.03086953.57544721.33200922.5208501
297.17075C16H26O50.92852281.21557190.82073421.17165460.6579348
298.01192no reference0.00000000.00000000.00000000.00000000.5374097
298.03007no reference0.00000000.00000000.00000000.00000000.3246350
298.03568C15H9NO60.00000000.00000000.00000000.47939711.3398550
298.03913C12H13NO6S0.00000000.00000000.00000000.39745900.3515122
298.04065no reference0.00000000.00000000.00000000.24943900.3269070
298.04384no reference0.00000000.00000000.00000000.26022790.7628862
298.04853C12H14NO6P0.00000000.00000000.00000000.00000001.1851348
298.05684C12H13NO80.40255050.52732890.39007650.92945381.0052239
298.06495no reference0.35177780.55877780.43089280.83003611.1388847
298.07210C16H13NO50.00000000.00000000.27011250.70439791.6396641
298.08027no reference0.00000000.00000000.00000000.27109610.6323944
298.08344C15H13N3O40.00000000.00000000.00000001.23366070.2326182
298.08456no reference0.00000000.00000000.00000000.00000000.4248152
298.09325C13H17NO72.90013663.63499203.23161103.65964631.5683617
298.10134no reference2.19271092.79846862.23374972.61326312.3783080
298.10846C17H17NO40.36922010.00000000.24477340.41907400.6087202
298.11664no reference0.00000000.00000000.00000000.00000000.3824205
298.12962C14H21NO61.48645041.89879581.49171241.53483480.4127393
298.13777no reference1.63707021.78905521.60211581.87254351.2030358
298.15638no reference1.03924730.00000000.58161740.28312200.4491158
299.01970C15H8O70.00000000.00000000.00000000.86121352.6382589
299.02310C12H12O7S0.00000000.00000000.00000000.77660480.5188966
299.03109C14H8N2O60.00000000.00000000.00000000.00000000.3375059
299.03778no reference0.00000000.00000000.00000000.00000000.3372310
299.04086C12H12O90.00000000.00000000.28146331.12378292.0009305
299.04356no reference0.00000000.00000000.00000000.26974190.3391242
299.05323no reference0.30760790.00000000.00000000.71032900.0000000
299.05613C16H12O60.40683080.00000000.31712251.83525306.2464020
299.05948C13H16O6S0.00000000.00000000.31051531.68618610.5801543
299.06734C15H12N2O50.00000000.00000000.26844600.82431600.9090749
299.07138C20H12O30.00000000.00000000.00000000.00000000.4131829
299.07724C13H16O84.98036346.42894485.76270948.46777708.9509947
299.08848C12H16N2O70.38350310.47530750.39970440.82674600.2767364
299.09250C17H16O50.91565130.93653570.85146371.76679273.9553206
299.09585C14H20O5S0.00000000.00000000.00000006.91786831.4574834
299.10373C16H16N2O40.39479730.00000000.53637090.88780690.6796799
299.11363C14H20O79.640748911.947117110.042323412.05704858.2814564
299.12486C13H20N2O60.63177130.76267590.62770600.74019860.0000000
299.12889C18H20O41.19298041.09468540.98506541.15086231.7672032
299.15004C15H24O62.39511022.71946792.18923733.43251611.7253584
299.16529C19H24O30.33689090.00000000.35203740.50349190.5180805
300.01500C14H7NO70.00000000.00000000.00000000.28019370.4246733
300.02303no reference0.00000000.00000000.00000000.00000000.4041637
300.02755no reference0.00000000.00000000.00000000.00000000.8455459
300.04575no reference0.00000000.00000000.00000000.00000000.3610113
300.05136C15H11NO60.00000000.00000000.00000000.83486011.7031210
300.05474C12H15NO6S0.00000000.00000000.00000000.38292440.3240178
300.05948no reference0.00000000.00000000.00000000.29661640.9637914
300.06392no reference0.00000000.00000000.00000000.24335690.8086576
300.07254C12H15NO80.57775690.56815460.40497881.00250230.6290220
300.08059no reference0.75378441.20745580.72609531.15120621.1230565
300.08777C16H15NO50.43984400.49769210.45878761.04644711.5115116
300.09586no reference0.00000000.00000000.00000000.31592140.7146433
300.09927no reference0.00000000.00000000.00000000.90879190.0000000
300.10886C13H19NO71.17019011.34890961.24833601.34179190.5121578
300.11699no reference1.48886511.75293821.41962821.85017521.1622899
300.12415C17H19NO40.56041000.53354660.35758840.56392470.4499401
300.15337no reference0.46990980.63747070.29731560.61837130.2261195
300.35162no reference0.00000000.00000000.00000002.22044060.0000000
300.68609no reference0.00000000.00000000.00000000.72239860.0000000
300.80954no reference0.50901880.48767070.23481330.32564770.3952018
300.99903C14H6O80.00000000.00000000.00000000.24530750.7085113
301.02348no reference0.00000000.00000000.00000005.83332910.0000000
301.03537C15H10O70.00000000.00000000.28373431.42516415.0820006
301.03876C12H14O7S0.00000000.00000000.25485151.14657370.4742300
301.04659C14H10N2O60.00000000.00000000.21119300.62010490.7035591
301.05055C19H10O40.00000000.00000000.00000000.00000000.7478834
301.05652C12H14O90.65120020.69290180.71915781.70120782.1189001
301.07176C16H14O60.82722860.87091230.94587492.71457547.5173467
301.07512C13H18O6S0.55388990.00000000.62949901.76773170.6351479
301.08300C15H14N2O50.56617950.54052320.55366761.33388371.2474257
301.08695C20H14O30.00000000.00000000.00000000.00000000.3222997
301.09290C13H18O84.07724245.18696534.35330556.39076094.6563837
301.10813C17H18O51.85466242.05103521.77880522.70001264.3084002
301.11940C16H18N2O40.96323991.04640500.80380551.35719440.5154624
301.12108C14H23O5P0.96506690.00000000.00000000.00000000.2026994
301.12928C14H22O72.79989353.80950143.18192504.02122651.7334788
301.14452C18H22O41.65041021.82845211.33318321.74783101.9151808
301.16573C15H26O60.34289830.00000000.25380350.63759780.2219910
301.18092C19H26O30.35620600.56073030.24733690.27191110.4271627
301.35795no reference0.00000000.00000000.00000000.76095070.0000000
302.00681no reference0.00000000.00000000.00000000.00000000.3442498
302.03062C14H9NO70.00000000.00000000.00000000.52291490.9725994
302.03879no reference0.00000000.00000000.00000000.39278550.7421013
302.04322no reference0.00000000.00000000.00000000.25382450.9394261
302.05848no reference0.00000000.00000000.00000000.00000000.3664497
302.06702C15H13NO60.00000000.00000000.48099101.39735372.4809952
302.07511no reference0.00000000.00000000.00000000.45827941.1238823
302.07823C14H13N3O50.00000000.00000000.00000000.29913710.3640422
302.07960no reference0.00000000.00000000.00000000.00000000.6080997
302.08812C12H17NO80.00000000.00000000.21385180.58313070.2440102
302.09626no reference0.53758110.78918860.59557820.93473840.6716962
302.10340C16H17NO50.86646900.91148520.85697681.40415541.3142573
302.11150no reference0.48319750.00000000.33301080.52771850.7094139
302.13980C17H21NO40.61696450.53334760.50408170.54823640.2233315
302.14787no reference0.00000000.00000000.28333280.38964090.3491462
303.01464C14H8O80.00000000.00000000.00000000.73150712.0656260
303.02990C18H8O50.00000000.00000000.00000000.00000000.7366635
303.03920no reference0.00000000.00000000.00000000.56811820.0000000
303.05103C15H12O70.52570570.00000000.52172802.69244948.4810484
303.05442C12H16O7S0.39165210.51954470.44957621.11437610.5297739
303.06224C14H12N2O60.44076610.00000000.29710411.10320911.4387609
303.06623C19H12O40.00000000.00000000.00000000.30461310.9690918
303.07036no reference0.00000000.00000000.00000000.26834830.4116694
303.07223C12H16O90.60039510.76271500.51180481.18915440.9611084
303.08741C16H16O62.28501902.52558012.45812764.16224698.5559339
303.09076C13H20O6S0.51769831.05376810.60269361.76114730.6127807
303.09864C15H16N2O51.28183631.85703541.31863902.42296791.3996702
303.10854C13H20O81.14466991.57879951.36659262.40476061.0281475
303.12380C17H20O53.96258783.87251623.41361604.00492894.9428407
303.13503C16H20N2O41.26357421.47941540.95085631.06425050.3611210
303.14487C14H24O70.36613170.00000000.24698420.73637640.0000000
303.16018C18H24O41.78219092.06566061.64405371.86676421.6672704
303.19658C19H28O30.00000000.00000000.00000000.00000000.2166420
304.01801no reference0.00000000.00000000.00000000.00000000.3341675
304.02247no reference0.00000000.00000000.00000000.00000000.6701769
304.02849C14H11NO5S0.00000000.00000000.00000000.00000000.3454213
304.03773no reference0.00000000.00000000.00000000.00000000.6084409
304.04630C14H11NO70.00000000.00000000.00000001.12407082.1708631
304.05440no reference0.00000000.00000000.00000000.41600221.4090963
304.05747C13H11N3O60.00000000.00000000.00000000.24314270.3655893
304.05885no reference0.00000000.00000000.00000000.00000000.7782364
304.06156C18H11NO40.00000000.00000000.00000000.00000000.3757415
304.07412no reference0.00000000.00000000.00000000.00000000.4586090
304.08266C15H15NO61.18215911.26632271.23152072.40025072.8172807
304.09075no reference0.51824180.00000000.42050760.76075441.4881111
304.09388C14H15N3O50.48810190.00000000.45050620.52246560.3729906
304.11907C16H19NO51.80988041.62790911.48444651.87147841.1928491
304.12717no reference0.54946631.01061120.87254870.83565610.8948325
304.13028C15H19N3O40.54680970.50357230.38755760.50037640.0000000
304.15544C17H23NO40.39104630.71096130.41148050.54086280.1898830
304.16354no reference0.40433220.00000000.42146210.47379550.3127381
304.96802C13H7O5SP0.00000000.00000000.00000000.94099020.0000000
304.99388C13H6O90.00000000.00000000.00000000.00000000.5480772
305.00927C17H6O60.00000000.00000000.00000000.00000000.5186895
305.01247C14H10O6S0.00000000.00000000.00000000.26333370.3738796
305.03028C14H10O80.00000000.00000000.00000001.55620265.5244144
305.03360C11H14O8S0.32730760.00000000.00000000.60341070.3229153
305.03794no reference0.00000000.00000000.00000000.00000000.3333428
305.04150C13H10N2O70.00000000.00000000.21152500.52663220.7210405
305.04555C18H10O50.00000000.00000000.00000000.46272071.7954165
305.04904C15H14O5S0.00000000.00000000.00000000.35486570.3170661
305.06667C15H14O71.85550301.85378471.89670175.007331912.3266394
305.07005C12H18O7S0.40183290.00000000.31760891.46322190.8145083
305.07791C14H14N2O61.28092790.99500311.18142712.23332271.9614273
305.08193C19H14O40.00000000.00000000.00000000.30315691.0153437
305.08604no reference0.00000000.00000000.00000000.38157550.5053425
305.08780C12H18O90.00000000.00000000.00000000.57901700.2276636
305.10307C16H18O67.10541037.42708667.08808558.560671811.2331333
305.10643C13H22O6S0.00000000.00000000.24186371.23525480.4219954
305.11431C15H18N2O53.53240923.63839743.12251063.69437981.2527961
305.13944C17H22O55.91507826.44355585.69277686.30281705.5332316
305.15068C16H22N2O40.62440860.95011040.74629090.59116260.0000000
305.17584C18H26O41.27479601.38274251.30053701.36393581.0549940
306.01686no reference0.00000000.00000000.00000000.24507910.4389202
306.02549C13H9NO80.00000000.00000000.00000000.35105370.7761687
306.02757no reference0.00000000.48367810.00000000.00000000.3383660
306.03361no reference0.00000000.00000000.00000000.00000000.8452708
306.03810no reference0.00000000.00000000.00000000.00000000.8531172
306.04079C17H9NO50.00000000.00000000.00000000.00000000.4898532
306.04577no reference0.00000000.00000000.00000000.00000000.4564040
306.04881no reference0.00000000.00000000.00000000.00000000.3185456
306.05342no reference0.00000000.00000000.00000000.24110740.9079039
306.06187C14H13NO70.67666890.88182320.64935231.93456343.1348423
306.07006no reference0.36928820.00000000.40825130.83100521.9587421
306.07311C13H13N3O60.00000000.00000000.00000000.41093450.3317274
306.07456no reference0.00000000.00000000.00000000.00000000.5325277
306.07720C18H13NO40.00000000.00000000.00000000.00000000.4687260
306.09832C15H17NO63.59431033.64375973.28184664.25724853.0665692
306.10643no reference1.15285911.27744691.23928581.69470092.0140809
306.10955C14H17N3O51.02515741.01020980.73332950.86232810.2637297
306.11767no reference0.70058900.53364840.62515780.73535470.2364750
306.13474C16H21NO52.10772251.92050481.88943761.86367910.6730059
306.14276no reference1.02798471.40596071.19066721.18061680.9771491
306.35513no reference0.00000000.00000000.00000001.37522780.0000000
307.00955C13H8O90.00000000.00000000.00000000.59396811.5684246
307.02483C17H8O60.00000000.00000000.00000000.43591951.6356000
307.02827C14H12O6S0.00000000.50483160.00000000.58104190.5460828
307.03537no reference0.00000000.00000000.00000000.00000000.3543337
307.04593C14H12O80.68393540.60435330.80311213.64554139.2819074
307.04923C11H16O8S0.00000000.49862380.27167400.80124610.3690978
307.05356no reference0.00000000.00000000.00000000.00000000.3851690
307.05717C13H12N2O70.44771270.00000000.37795120.84082021.0131387
307.06121C18H12O50.00000000.00000000.00000000.73472542.4637183
307.06456C15H16O5S0.00000000.00000000.00000000.71876300.4056800
307.06526no reference0.00000000.00000000.00000000.41625850.4173116
307.07239C17H12N2O40.00000000.00000000.00000000.26934670.3541986
307.08041no reference0.00000000.00000000.21998820.24100290.3221950
307.08117no reference0.00000000.00000000.00000000.00000000.3631466
307.08233C15H16O77.00735428.12007797.685998610.082629016.1744334
307.08567C12H20O7S0.00000000.00000000.00000001.23303510.5603337
307.09356C14H16N2O64.23012514.50066053.96085674.87935711.9450468
307.09759C19H16O40.00000000.00000000.00000000.32160780.9637243
307.10167no reference0.56537370.89133700.46783860.63118380.4554437
307.11871C16H20O616.572564117.005054715.618937815.043125113.2473984
307.12993C15H20N2O54.69909044.64768063.95283053.55038010.6290251
307.13732C17H24O3S0.00000000.00000000.00000000.69734530.0000000
307.13804no reference0.51987730.48039330.33039610.00000000.1746873
307.15510C17H24O55.94854896.18718085.38606045.69122194.1551954
307.19149C18H28O40.98079081.14099140.56224660.65419670.4679763
308.01994C16H7NO60.00000000.00000000.00000000.00000000.4293524
308.02807no reference0.00000000.00000000.00000000.00000000.3740512
308.03262no reference0.00000000.00000000.00000000.00000001.0598693
308.04125C13H11NO80.00000000.00000000.00000000.87212061.3119112
308.04319no reference0.00000000.00000000.00000000.00000000.4040260
308.04930no reference0.00000000.00000000.00000000.67874671.3598147
308.05387no reference0.00000000.00000000.00000000.00000000.4995574
308.05649C17H11NO50.00000000.00000000.00000000.33090360.9380487
308.06147no reference0.00000000.00000000.00000000.00000000.3576728
308.06454no reference0.00000000.00000000.00000000.00000000.5213760
308.06907no reference0.00000000.00000000.00000000.00000000.6588220
308.07757C14H15NO72.99474493.67622693.30521964.25162953.6118073
308.08571no reference0.83111641.14957131.12593791.61721882.5951084
308.08881C13H15N3O60.42359920.00000000.32956110.56707180.3866161
308.09287C18H15NO40.00000000.00000000.00000000.30364010.4316974
308.09692no reference0.63234090.87508860.58753060.71771800.2703693
308.11396C15H19NO66.36980566.55178795.92946135.35434262.2741053
308.12207no reference2.82536663.00639422.85915202.67744512.2498790
308.12519C14H19N3O50.99170391.01796580.81904430.94095770.1794519
308.13330no reference0.81883390.64163460.58965270.57970100.0000000
308.15035C16H23NO51.32565901.20212511.25798081.20716920.3887538
308.15844no reference1.08819051.18543230.95097280.97871350.7694316
309.00407C16H6O70.00000000.00000000.00000000.00000000.7777482
309.00747C13H10O7S0.00000000.00000000.00000000.38599270.3385346
309.02520C13H10O90.00000000.00000000.00000001.35025832.7240146
309.03286no reference0.00000000.00000000.00000000.00000000.3925993
309.04048C17H10O60.00000000.00000000.00000000.76273093.1989159
309.04391C14H14O6S0.00000000.55522830.00000000.59666940.6612971
309.05166C16H10N2O50.00000000.00000000.00000000.35452690.4618397
309.06157C14H14O82.99420583.53871613.40032066.199318011.9106522
309.06492C11H18O8S0.00000000.00000000.00000000.75957740.2419755
309.07284C13H14N2O70.95595501.04622630.88079831.90477411.2984913
309.07684C18H14O50.34974400.49900470.28783030.76856142.6056372
309.08022C15H18O5S0.00000000.00000000.00000000.98451510.3890235
309.08094no reference0.00000000.00000000.49706600.62192250.5340402
309.08807C17H14N2O40.00000000.00000000.00000000.33301430.4115302
309.09712no reference0.00000000.00000000.00000000.00000000.6220699
309.09798C15H18O719.235132520.794635919.478526218.739423019.1566680
309.09854no reference0.00000001.61720070.00000001.65058540.0000000
309.10131C12H22O7S0.00000000.00000000.00000000.71758010.2306217
309.10920C14H18N2O65.70900296.31178425.50935134.97473811.2006231
309.11324C19H18O40.00000000.56559440.31975540.32719020.9177480
309.11730no reference0.89484971.12025880.98652120.90003140.3568154
309.13436C16H22O617.712674619.038770016.711100316.018342310.9900383
309.13524C17H26OS20.00000000.00000000.64226720.00000000.0000000
309.14560C15H22N2O51.93108371.93893001.69009001.26578320.1450221
309.15304C17H26O3S0.00000000.00000000.00000000.73373040.2019935
309.17081C17H26O52.80723332.77727122.56439242.56490451.5897701
309.17408C14H30O5S1.87761521.98837101.45858143.37579200.2260841
309.42558no reference0.00000000.00000000.00000001.15376920.0000000
310.01191no reference0.00000000.00000000.00000000.30534250.5848969
310.02861no reference0.00000000.00000000.00000000.00000000.3351281
310.03575C16H9NO60.00000000.00000000.00000000.43975440.8712840
310.03908C13H13NO6S0.00000000.00000000.00000000.35963720.3989995
310.04062no reference0.00000000.00000000.00000000.00000000.3778011
310.04385no reference0.00000000.00000000.00000000.00000000.5636319
310.04833no reference0.00000000.00000000.00000000.25536390.9991638
310.05684C13H13NO80.66464010.99089220.60922851.53342221.7960331
310.06500no reference0.00000000.55800760.63443220.96992951.7979608
310.07220C17H13NO50.00000000.00000000.00000000.53268251.1953199
310.08018no reference0.00000000.00000000.00000000.00000000.4217837
310.08466no reference0.00000000.00000000.00000000.00000000.3877151
310.09323C14H17NO75.80345176.30575635.89752105.71677793.0338045
310.10134no reference2.69941053.27749672.96906222.89615413.0883153
310.10447C13H17N3O60.45980790.59101520.41329580.58913230.2026774
310.10851C18H17NO40.00000000.00000000.00000000.31175600.3543360
310.11258no reference0.88783520.80040680.79323790.79124790.2209168
310.12962C15H21NO64.22386884.69069073.76441013.36472370.9275902
310.13772no reference3.06242802.85458222.74469152.70873131.8224679
310.17410no reference0.45940150.00000000.45829950.61001860.2808342
310.17750no reference0.00000000.00000000.22210480.57821470.0000000
310.35517no reference0.00000000.00000000.00000001.55433240.0000000
310.90581no reference0.00000000.00000000.00000000.59164330.0000000
311.01973C16H8O70.00000000.00000000.00000000.72821922.3436788
311.02308C13H12O7S0.00000000.00000000.00000000.68300170.5621838
311.02700C10H8N4O80.00000000.00000000.000000014.01414330.0000000
311.04085C13H12O90.57891030.00000000.43696511.88021514.1719771
311.04847no reference0.00000000.00000000.00000000.00000000.3824805
311.05210C12H12N2O80.00000000.00000000.23464470.00000000.3998250
311.05612C17H12O60.00000000.00000000.00000001.41383534.5144572
311.05950C14H16O6S0.00000000.00000000.25237671.04493050.6327330
311.06740C16H12N2O50.00000000.00000000.00000000.72531080.7326003
311.07724C14H16O89.431047511.036239510.509095411.594111514.5955580
311.08847C13H16N2O71.55171091.85724491.64520972.35606981.0805865
311.09245C18H16O50.46022350.00000000.46858511.02806072.6993770
311.09588C15H20O5S0.00000000.00000000.00000008.59140350.6995656
311.09660no reference0.95820430.86956740.80391960.71147530.3731578
311.10385C17H16N2O40.00000000.00000000.31204280.43434200.4654886
311.11243no reference0.00000000.00000000.51330550.00000000.0000000
311.11363C15H20O723.784174626.824616924.246318021.666595816.8024008
311.11462C16H24O2S20.00000000.73213440.00000000.00000000.0000000
311.12486C14H20N2O63.12897803.20418102.84425322.49130240.4458745
311.12889C19H20O40.52735900.78467860.35166170.63257501.0249777
311.13297no reference0.59951370.72372590.55546110.50839310.1576829
311.15001C16H24O67.59905418.36724197.00208827.95629534.8426261
311.16864C17H28O3S10.98540506.65071299.65443113.59255956.7978400
311.18639C17H28O51.11398240.00000000.66943700.72180280.3172426
311.36148no reference0.00000000.00000000.00000003.49789520.0000000
311.69228no reference0.00000000.00000000.00000001.79749440.0000000
311.69499no reference0.00000000.00000000.00000000.94339270.0000000
312.01487C15H7NO70.00000000.00000000.00000000.00000000.3837500
312.01846C12H11NO7S0.00000000.00000000.00000000.00000000.3383938
312.02307no reference0.00000000.00000000.00000000.00000000.3937992
312.02745no reference0.00000000.00000000.00000000.00000000.7586811
312.03604C12H11NO90.00000000.00000000.00000000.42654810.4284540
312.04423no reference0.00000000.00000000.00000000.30582630.5375439
312.05142C16H11NO60.00000000.00000000.00000000.47310281.5203125
312.05944no reference0.00000000.00000000.00000000.00000000.7295698
312.06394no reference0.00000000.00000000.00000000.00000000.7685946
312.07249C13H15NO81.29875572.06837091.68878902.26974191.6560391
312.08058no reference1.25093091.67961621.63949881.52707702.0348586
312.08775C17H15NO50.00000000.00000000.23716220.62332711.0919412
312.09584no reference0.00000000.00000000.00000000.00000000.4248103
312.09912C16H15N3O40.00000000.00000000.00000001.43215170.1518203
312.10888C14H19NO74.73227045.10621574.55948554.18892571.4903082
312.11695no reference3.76379444.12164383.83417373.48243532.5639963
312.12413C18H19NO40.00000000.00000000.00000000.24717280.3672047
312.14527C15H23NO61.01712280.85060910.91196190.90277340.3014083
312.15337no reference1.33380521.31468521.15864011.28527500.7235883
312.17201no reference2.07627330.98843891.90112780.64488261.0633152
312.99900C15H6O80.00000000.00000000.00000000.00000000.6390576
313.02004C12H10O100.00000000.00000000.00000000.24374480.3206006
313.02353no reference0.00000000.00000000.00000000.97424150.0000000
313.03536C16H10O70.00000000.00000000.00000001.15693504.2216661
313.03877C13H14O7S0.00000000.00000000.25101871.13617770.6212344
313.04666C15H10N2O60.00000000.00000000.00000000.46616490.6679678
313.05064C20H10O40.00000000.00000000.00000000.00000000.4261131
313.05650C13H14O91.63465821.73699741.82916553.32084045.0982366
313.07176C17H14O60.32940820.49884240.41428381.53810435.1956955
313.07516C14H18O6S0.33571890.00000000.42086361.95787220.6352773
313.08299C16H14N2O50.00000000.00000000.25057650.78536440.9002584
313.09189no reference0.00000000.00000000.00000000.58033700.0000000
313.09289C14H18O813.151103815.395239414.279470414.329000312.4725443
313.09346no reference0.00000000.00000001.16050750.00000000.0000000
313.10412C13H18N2O71.02886791.35316761.06861781.36767570.4029223
313.10814C18H18O50.92242220.80135190.80052911.35408032.6840955
313.11151C15H22O5S0.00000000.00000000.00000003.43495290.7517335
313.11223no reference0.76657300.76382290.60035500.00000000.0000000
313.11937C17H18N2O40.38139180.55728120.40062700.70173020.3240830
313.12927C15H22O712.027196114.223283412.150820712.49746767.3915277
313.14055C14H22N2O60.54579630.00000000.64886780.50016390.0000000
313.14453C19H22O40.78094140.80368790.65243670.98833521.0681982
313.16567C16H26O61.21287301.51546271.25708841.86513930.9371547
314.03060C15H9NO70.00000000.00000000.00000000.41728490.9377630
314.03861no reference0.00000000.00000000.00000000.00000000.5581188
314.04320no reference0.00000000.00000000.00000000.23811411.0036993
314.05852no reference0.00000000.00000000.00000000.00000000.3313724
314.05986no reference0.00000000.00000000.28021480.45989600.6850355
314.06702C16H13NO60.32675130.00000000.25250330.91280381.9512989
314.07510no reference0.00000000.00000000.00000000.00000000.8816039
314.07824C15H13N3O50.00000000.00000000.00000000.36442430.3447604
314.07959no reference0.00000000.00000000.00000000.27034710.4848217
314.08810C13H17NO81.42671121.77290571.36935671.93733990.9895241
314.09624no reference2.05492702.25613492.22135402.13205071.7495026
314.10340C17H17NO50.58303210.00000000.35025200.93368661.0359139
314.11148no reference0.00000000.00000000.00000000.33699350.5326580
314.12453C14H21NO71.33388671.50528661.23754581.35636970.4097354
314.13264no reference2.01972622.25484731.96486621.92253481.2244994
315.01463C15H8O80.00000000.00000000.00000000.54939751.8533535
315.01808C12H12O8S0.00000000.00000000.00000000.39772070.4205317
315.02992C19H8O50.00000000.00000000.00000000.00000000.4272774
315.03579C12H12O100.00000000.00000000.00000000.36194270.5499947
315.03921no reference0.00000000.00000000.00000000.60833490.0000000
315.05101C16H12O70.00000000.00000000.27723521.69028766.0030204
315.05439C13H16O7S0.45495070.64149710.33344052.81946040.7130450
315.06223C15H12N2O60.00000000.00000000.25964420.72511471.0142287
315.06631C20H12O40.00000000.00000000.00000000.00000000.5902600
315.07044no reference0.00000000.00000000.00000000.00000000.3418324
315.07216C13H16O92.80764462.99008512.82452833.91634484.2658503
315.08741C17H16O61.21145291.27692041.01905532.53492495.6286085
315.09078C14H20O6S0.64077930.00000000.38825471.91437810.6473873
315.09865C16H16N2O50.63613050.94886080.68160331.41012381.0575915
315.10854C14H20O87.40824758.69202327.72239708.37525585.3544069
315.12379C18H20O51.82356411.96643881.66296272.20644662.9416393
315.12697no reference0.00000000.00000000.00000000.44234270.3932837
315.13502C17H20N2O40.68877690.88687860.57309950.74260240.3054277
315.14492C15H24O72.45394033.24892432.60908233.42739211.3547858

Only the first 2000 rows were shown. To view the complete dataset, download it as tab-delimited text. You can still view the full matrix in your browser, but be aware that this may crash the browser due to the huge size.