Proposed Mass	Most probable Compound	Probability	Entropy	t.test p-value	EIC-plot	Ion annotation
126.028110945161	Phloroglucinol	0.164	0.998	0.791424781856129	001	127.0354#32.082#[3][M]+#[M+H-C5H8O4]+ 258.069
	1,2,3-Trihydroxybenzene	0.152
	Benzene-1,2,4-triol	0.146
	5-Hydroxymethyl-2-furaldehyde	0.142
	Maltol	0.137
	C4b-binding protein	0.135
	Triacetate lactone	0.124
129.148613113826	Octylamine	1	0	7.3395390254305e-07	002	130.1559#163.739#[4][M]+#
132.090827424023	L-Ornithine	0.238	0.906	0.644353316076403	003	133.0981#343.236#[5][M]+#
	(2R,4S)-2,4-Diaminopentanoate	0.15
	Ornithine	0.148
	Fibronectin	0.146
	D-Ornithine	0.143
	Paramylon	0.142
	Tetralin	0.019
	Dicyclopentadiene	0.016
144.037195404548	Ethchlorvynol	1	0	0.605277070936243	004	145.0445#32.064#[8][M]+#
162.028282551424	Umbelliferone	1	0	0.226318634755596	005	163.0356#208.625#[10][M]+#
162.028860504466	Umbelliferone	1	0	0.516288509011942	006	163.0361#236.986#[12][M]+#
176.043854060371	N-Carbamoyl-L-aspartate	0.346	0.904	0.136872720692806	007	177.0511#244.3825#[14][M]+#
	N3-Oxalyl-L-2,3-diaminopropanoate	0.33
	1,3,8-Naphthalenertriol	0.114
	4-Methylumbelliferone	0.106
	Herniarin	0.105
196.070164291723	5-Hydroxyconiferyl alcohol	0.26	0.975	0.705732020592675	008	197.0774#242.6505#[16][M]+#[M+H-C6H10O5]+ 358.118
	Acetosyringone	0.129
	2',6'-Dimethoxy-4'-hydroxyacetophenone	0.129
	Paeonilactone B	0.124
	Xanthoxylin	0.124
	2,3-Dihydroxy-p-cumate	0.118
	Cantharidin	0.116
204.076270557944	3-Butylidene-7-hydroxyphthalide	0.732	0.587	0.826214281972234	009	205.0835#751.482#[18][M]+#[M+H]+ 204.076
	Levamisole	0.25
	2-Oxo-8-methylthiooctanoic acid	0.018
208.070656509304	6-Methoxymellein	0.408	0.779	0.289265918914123	010	209.0779#273.289#[19][M]+#
	Sinapoyl aldehyde	0.388
	Benzylsuccinate	0.198
	Epibatidine	0.005
208.143708329924	4-Heptyloxyphenol	1	0	0.793515094522236	011	209.151#171.6355#[20][M]+#
208.143544487079	4-Heptyloxyphenol	1	0	0.511576786244787	012	209.1508#342.9955#[21][M]+#
208.141831342954	4-Heptyloxyphenol	1	0	0.682296833397099	013	209.1491#222.083#[22][M]+#[M+H]+ 208.144
216.093490518355	Benzo[b]fluorene	1	0	0.00179090726019138	014	217.1008#92.2995#[26][M]+#[M+Na]+ 194.112
226.08041246227	Genipin	1	0	0.155289352434871	015	227.0877#70.054#[27][M]+#
236.174559571996	Lubimin	0.116	0.999	0.013020247133084	016	237.1818#608.831#[29][M]+#[M+H-H20]+ 254.187
	Hernandulcin	0.105
	Sirenin	0.104
	Helminthosporol	0.102
	Kikkanol B	0.1
	Cyperolone	0.097
	Farnesoic acid	0.096
	Curdione	0.095
	Latia luciferin	0.094
	Capsidiol	0.092
236.175068630294	Hernandulcin	0.108	1	0.174225183417537	017	237.1823#723.0505#[30][M]+#
	Kikkanol B	0.102
	Latia luciferin	0.102
	Curdione	0.1
	Cyperolone	0.1
	Capsidiol	0.099
	Sirenin	0.098
	Lubimin	0.098
	Helminthosporol	0.098
	Farnesoic acid	0.097
254.112274503168	Transferred to D00714	0.343	0.843	0.108308588394403	018	255.1196#314.506#[34][M]+#[M+H]+ 254.114
	Thiamylal	0.324
	Transferred to D00713	0.316
	10-Hydroxycarbazepine	0.018
254.185385984592	Kikkanol D	0.254	0.874	0.014365360743809	019	255.1927#608.6575#[35][M]+#[M+H]+ 254.187
	Kikkanol A	0.252
	Kikkanol F	0.247
	Chrysanthetriol	0.242
	4,4'-Methylenebis(N,N-dimethylaniline)	0.004
256.128642119536	Triphenylethylene	1	0	0.36436035476404	020	257.1359#339.02#[36][M]+#[M+H]+ 256.129
270.177596267521	(10S)-Juvenile hormone III acid diol	1	0	0.0207203703482381	021	271.1849#564.2345#[39][M]+#
272.173974523329	Estradiol	0.182	0.996	0.108007417047109	022	273.1813#753.0485#[41][M]+#
	19-Norandrostenedione	0.149
	Fibrinopeptide A	0.14
	Estra-1,3,5(10)-triene-2,17beta-diol	0.14
	Immunoglobulin A	0.138
	Estradiol-17alpha	0.129
	Estra-1,3,5(10)-triene-3,16beta-diol	0.122
274.096799409991	5-Amino-1-ribofuranosylimidazole-4-carboxyamide	1	0	0.0118769502415472	023	275.1041#61.24#[42][M]+#
276.168721186012	Sugeonyl acetate	0.354	0.998	0.111135846931488	024	277.176#608.999#[43][M]+#[M+Na]+ 254.187
	[6]-Shogaol	0.34
	Buddledin A	0.307
278.21808557662	Crepenynate	0.173	1	0.0486317036788471	025	279.2254#706.6835#[44][M]+#[M+H-NH3]+ 295.243
	(9Z,11E,13E)-Octadecatrienoic acid	0.171
	5beta-Estrane-3alpha,17beta-diol	0.17
	(9Z,12Z,15Z)-Octadecatrienoic acid	0.168
	Punicic acid	0.161
	(6Z,9Z,12Z)-Octadecatrienoic acid	0.158
286.043946308252	Luteolin	0.162	0.955	0.00317193190172826	026	287.0512#315.148#[48][M]+#[M+H-C6H10O5]+ 448.093
	Kaempferol	0.147
	6-Demethoxycapillarisin	0.076
	Orobol	0.074
	Datiscetin	0.071
	Isoscutellarein	0.07
	Aureusidin	0.068
	2'-Hydroxygenistein	0.067
	Fisetin	0.066
	Scutellarein	0.066
	Citreorosein	0.065
	Maritimetin	0.058
	Oxazepam	0.009
294.103305789548	N-Palmitoylglycoprotein	0.47	0.674	0.00746717635452931	027	295.1106#239.7035#[50][M]+#[M+Na]+ 272.122
	N-Glycosyl-L-asparagine	0.456
	Tutin	0.064
	Tuliposide B	0.01
294.104091619765	N-Glycosyl-L-asparagine	0.457	0.882	0.00974838951539114	028	295.1114#264.237#[51][M]+#[M+Na]+ 272.123
	N-Palmitoylglycoprotein	0.428
	Tutin	0.114
301.293562156896	Sphinganine	1	0	0.114610106607769	029	302.3008#629.527#[53][M]+#
302.112094273864	Bicozamycin	0.219	0.998	0.0999220473107196	030	303.1194#120.501#[54][M]+#
	3''-Deamino-3''-oxonicotianamine	0.214
	Odoratol	0.198
	Mucronulatol	0.187
	Lotisoflavan	0.181
312.059085626088	Aflatoxin B1	0.404	0.99	0.397572376452857	031	313.0664#302.476#[58][M]+#
	Betavulgarin	0.301
	Aspulvinone G	0.295
314.090957270867	Dibenzthion	0.206	1	0.134166253759783	032	315.0982#100.6055#[60][M]+#[M+Na]+ 292.111
	N-Acetylthienamycin	0.204
	Chlorochrymorin	0.202
	Epithienamycin C	0.2
	Epithienamycin A	0.188
317.223578504926	Butenafine	1	0	0.0509037140062061	033	318.2309#706.3565#[63][M]+#[M+Na]+ 295.243
317.285150393892	Piptanthine	0.324	0.896	0.757669704905193	034	318.2924#601.7845#[64][M]+#[M+H]+ 317.287
	(-)-Ormosanine	0.32
	Templetine	0.307
	Phytosphingosine	0.05
324.094632767954	Portulacaxanthin I	0.944	0.311	0.997505302876921	035	325.1019#31.763#[66][M]+#
	Prazepam	0.056
328.050448181649	Aflatoxin M1	0.394	0.993	0.0212957933247875	036	329.0577#259.578#[69][M]+#
	Aflatoxin G1	0.306
	(-)-Acanthocarpan	0.3
330.067771826501	Penicillin O	0.202	0.969	0.927037384968631	037	331.075#501.439#[70][M]+#
	3',4',5-Trihydroxy-3,7-dimethoxyflavone	0.16
	Tricin	0.142
	(+)-Bisdechlorogeodin	0.09
	Aurantio-obtusin	0.086
	(-)-Bisdechlorogeodin	0.084
	Hildecarpin	0.082
	Cirsiliol	0.082
	Aflatoxin G2	0.074
330.066086617124	Penicillin O	0.395	0.864	0.66159984191853	038	331.0734#381.2455#[71][M]+#[M+Na]+ 308.088
	3',4',5-Trihydroxy-3,7-dimethoxyflavone	0.126
	Tricin	0.112
	Cirsiliol	0.069
	(+)-Bisdechlorogeodin	0.065
	(-)-Bisdechlorogeodin	0.064
	Aurantio-obtusin	0.058
	Hildecarpin	0.056
	Aflatoxin G2	0.054
330.066900027278	Penicillin O	0.266	0.938	0.47847647051274	039	331.0742#463.179#[72][M]+#[M+K]+ 292.11
	3',4',5-Trihydroxy-3,7-dimethoxyflavone	0.153
	Tricin	0.14
	Aurantio-obtusin	0.09
	Hildecarpin	0.079
	(-)-Bisdechlorogeodin	0.077
	(+)-Bisdechlorogeodin	0.067
	Aflatoxin G2	0.065
	Cirsiliol	0.063
330.139804190837	Gambirtannine	0.312	0.878	0.00400069812822679	040	331.1471#305.575#[73][M]+#
	17alpha-Chloroethynylestradiol	0.306
	Gibberellin A5	0.082
	Gibberellin A51-catabolite	0.077
	5-Deoxystrigol	0.076
	Gibberellin A7	0.076
	Podolide	0.071
332.113829364874	Tos-Arg-CH2Cl	1	0	0.47284984185736	041	333.1211#30.178#[75][M]+#
336.077981889308	Altersolanol A	0.506	1	0.623555258246037	042	337.0853#168.761#[76][M]+#[M+H-H20]+ 354.087
	5-O-Caffeoylshikimic acid	0.494
336.184207424985	Tabersonine	0.304	0.993	0.218288439036705	043	337.1915#486.578#[77][M]+#
	Catharanthine	0.26
	Apovincamine	0.22
	4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one	0.216
340.339392312571	Docosanoic acid	1	0	0.65604348752286	044	341.3467#650.2335#[78][M]+#
342.107443282874	Streptidine 6-phosphate	0.268	0.747	0.339288733545448	045	343.1147#31.438#[79][M]+#[M+H-C6H10O5]+ 504.156
	4',5,6,7-Tetramethoxyflavone	0.185
	3-(4-Methoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one	0.158
	beta-Lactose	0.018
	alpha,alpha-Trehalose	0.016
	Melibiose	0.016
	alpha-D-Glucosyl-(1,3)-D-mannose	0.016
	beta-D-Fructofuranosyl-alpha-D-mannopyranoside	0.014
	Levanbiose	0.014
	D-Fructosyl-D-fructofuranose	0.014
	Nigerose	0.014
	Limit dextrin	0.013
	Palatinose	0.012
	2-alpha-D-Glucosyl-D-glucose	0.012
	Pachyman	0.012
	Lactulose	0.012
	beta-Cellobiose	0.012
	Gentiobiose	0.012
	Sucrose	0.012
	Cellobiose	0.012
	Maltose	0.012
	Laminaribiose	0.012
	Inulobiose	0.012
	Lactose	0.011
	alpha-D-Galactosyl-(1->3)-1D-myo-inositol	0.011
	alpha-Maltose	0.011
	2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose	0.011
	D-Glucosyl-D-mannose	0.01
	beta-Maltose	0.01
	beta-D-Gal-(1->4)-D-Glc	0.01
	Epimelibiose	0.01
	Pre-tRNA	0.01
	Isomaltose	0.008
	alpha-D-Aldosyl beta-D-fructoside	0.008
	alpha-Cellobiose	0.007
	Mannobiose	0.006
346.116723374481	Miraxanthin-V	0.492	0.586	0.815233597418574	046	347.124#129.955#[83][M]+#[M+Na]+ 324.136
	Nifedipine	0.482
	Deutzioside	0.016
	Aucubin	0.01
350.09048717149	Penicillin X	0.338	1	0.000393900974666517	047	351.0978#149.255#[84][M]+#[M+K]+ 312.135
	16alpha-Bromo-17beta-estradiol	0.336
	Penicillin V	0.326
352.052770709911	Arbutin 6-phosphate	0.422	0.984	0.00399349374017444	048	353.06#402.25#[85][M]+#
	Daphnoretin	0.293
	Coumestrol diacetate	0.285
352.050559893104	Arbutin 6-phosphate	0.64	0.822	0.0275341214233134	049	353.0578#259.571#[86][M]+#[M+Na]+ 330.067
	Coumestrol diacetate	0.188
	Daphnoretin	0.172
354.083747994807	(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-	1	0	0.945842847174992	050	355.091#168.773#[88][M]+#[M+H]+ 354.087
354.157885756474	Sultopride	1	0	0.96577333377123	051	355.1652#274.99#[89][M]+#
359.132816222689	Rabeprazole	1	0	0.855399806291955	052	360.1401#32.0905#[90][M]+#
360.094405194706	3',4',5-Trihydroxy-3,6,7-trimethoxyflavone	0.172	0.988	0.0316756679114558	053	361.1017#104.45#[91][M]+#
	Arcapillin	0.108
	Acerosin	0.106
	6-Methoxyaromadendrin 3-O-acetate	0.095
	Rosmarinate	0.094
	Chrysosplenol C	0.09
	Thymonin	0.086
	Oxyayanin A	0.086
	Irigenin	0.084
	Oxyayanin B	0.08
364.076935908338	Sulfometuron methyl	1	0	0.663128436664807	054	365.0842#32.156#[93][M]+#[M+Na]+ 342.093
366.067102453802	Tetracenomycin F1	0.289	0.903	0.196505916090168	055	367.0744#302.483#[94][M]+#
	Salicin 6-phosphate	0.279
	Pachyrrhizone	0.141
	Arnottin II	0.138
	2-Decarboxytetrangomycin	0.13
	1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide	0.024
368.365041543525	Tetracosanoic acid	1	0	0.977555356484455	056	369.3723#697.0445#[95][M]+#
372.168427579861	Clavamycin F	0.734	0.431	0.146405491878931	057	373.1757#200.874#[99][M]+#
	17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate	0.24
	(-)-Arctigenin	0.013
	Fargesone A	0.008
	Kadsurin A	0.005
373.091425724088	Deacetylcephalosporin C	0.896	0.363	0.00107148446580974	058	374.0987#72.9185#[100][M]+#[M+H]+ 373.094
	DIMBOA-glucoside	0.069
	(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-1,4-	0.034
374.076095384953	Diospyrin	0.522	0.999	0.000767035831371832	059	375.0834#156.105#[102][M]+#[M+H]+ 374.076
	Isodiospyrin	0.478
374.111158219273	Portulacaxanthin II	0.794	0.434	0.0148793875219932	060	375.1184#219.554#[103][M]+#[M+Na]+ 352.132
	Secologanate	0.062
	Geniposidic acid	0.057
	Swertiamarin	0.032
	Gardoside	0.028
	Chrysosplenetin	0.014
	Scullcapflavone II	0.012
378.08300581129	7-Methylguanosine 5'-phosphate	0.592	0.976	0.472085629435412	061	379.0903#200.848#[106][M]+#
	Carbenicillin	0.408
380.096109333771	S-(N-Hydroxy-N-methylcarbamoyl)glutathione	0.407	0.924	0.000116563962932137	062	381.1034#173.105#[108][M]+#[M+K]+ 342.136 [M+Na]+ 358.117
	Tetracenomycin F1 methylester	0.27
	Diphyllin	0.226
	Methicillin	0.096
380.136998280098	2-Methoxyestrone 3-sulfate	0.956	0.258	0.383022333850588	063	381.1443#275.362#[109][M]+#
	Rubrophen	0.044
382.061580860863	Nogalonic acid	0.751	0.81	0.0111367773279665	064	383.0689#330.9915#[110][M]+#
	Bikaverin	0.249
382.058486965086	Nogalonic acid	0.775	0.769	0.0165917683252881	065	383.0658#259.554#[111][M]+#
	Bikaverin	0.225
382.079402065992	WIN54954	0.366	0.817	0.215079580774227	066	383.0867#141.3005#[112][M]+#
	Coronarian	0.28
	Cibarian	0.278
	Nogalonic acid	0.062
	Bikaverin	0.015
390.086373366238	Permethrin	1	0	0.235213885667435	067	391.0936#244.25#[114][M]+#
390.084229073084	Permethrin	1	0	0.0205189843503164	068	391.0915#183.57#[115][M]+#[M+H]+ 390.086
392.161116547102	Sparfloxacin	1	0	0.885390334210556	069	393.1684#343.24#[116][M]+#
394.060599781602	Tetracenomycin B3	0.548	0.784	0.0390229901839516	070	395.0679#259.5625#[117][M]+#
	Tetracenomycin D3 methylester	0.273
	Prostalidin A	0.138
	Epithienamycin F	0.04
394.076266751139	Tetracenomycin B3	0.394	0.93	0.87060565093684	071	395.0835#242.6815#[118][M]+#
	5'-Butyrylphosphouridine	0.284
	Tetracenomycin D3 methylester	0.221
	Prostalidin A	0.101
394.114167194445	9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-3,11-dione	0.864	0.575	0.221195752488338	072	395.1214#171.2595#[119][M]+#
	Justicidin A	0.136
394.186475155077	Brucine	1	0	0.220600289508421	073	395.1938#397.424#[120][M]+#[M+Na]+ 372.207
394.189090182124	Brucine	0.877	0.417	0.0509101545545212	074	395.1964#458.061#[121][M]+#
	Nigakilactone M	0.066
	Nigakilactone N	0.056
396.056083274493	Cephalothin	0.5	1	0.000316748302033432	075	397.0634#156.121#[122][M]+#[M+Na]+ 374.076
	Transferred to D00653	0.5
396.077125882663	Nogalonic acid methyl ester	0.476	0.959	0.00395956984525103	076	397.0844#402.2525#[123][M]+#
	Aklanonic acid	0.285
	Auraviketone	0.239
396.07677733885	Nogalonic acid methyl ester	0.47	0.962	0.806428013693753	077	397.0841#302.707#[124][M]+#
	Aklanonic acid	0.286
	Auraviketone	0.244
396.093742580749	Nogalonic acid methyl ester	0.464	0.962	0.119276249752921	078	397.101#113.581#[125][M]+#
	Aklanonic acid	0.308
	Auraviketone	0.228
398.102567495769	Dihydro-NAME	0.529	0.631	0.274655408123571	079	399.1098#74.496#[128][M]+#[M+Na]+ 376.125
	Auramycinone	0.366
	4-Dedimethyl-6-dehydro-anhydrotetracycline	0.08
	S-Adenosyl-4-methylthio-2-oxobutanoate	0.016
	Acroptilin	0.01
398.106585581789	4-Dedimethyl-6-dehydro-anhydrotetracycline	0.285	0.964	0.105592143364394	080	399.1139#63.473#[129][M]+#
	Dihydro-NAME	0.26
	Auramycinone	0.186
	S-Adenosyl-4-methylthio-2-oxobutanoate	0.17
	Acroptilin	0.099
398.147559235808	S-Adenosyl-L-methionine	0.981	0.136	0.657233238481385	081	399.1548#214.7815#[130][M]+#
	Deoxypodophyllotoxin	0.019
399.361237456419	3-Aza-A-homocholest-4a-en-4-one	1	0	0.358226584298032	082	400.3685#722.218#[131][M]+#
400.072389943871	4-Demethylpremithramycinone	1	0	0.0145943713894008	083	401.0797#331.005#[132][M]+#[M+H-H20]+ 418.081
400.142647381619	Dihydroanhydropodorhizol	1	0	0.908593688264451	084	401.1499#275.821#[133][M]+#
400.144956534256	Dihydroanhydropodorhizol	1	0	0.742436181539903	085	401.1522#249.948#[134][M]+#[M+H]+ 400.146 [M+H-COCH2]+ 442.15
404.19363713467	15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3,20-dione 7-acetate	0.352	0.93	0.0410003470405207	086	405.2009#146.0945#[136][M]+#
	Ursiniolide A	0.116
	Isodonal	0.112
	Eupatocunin	0.11
	Eupaserrin	0.107
	Eupacunin	0.103
	Chromolaenide	0.101
404.246638948237	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate	0.47	0.827	0.00564843597613907	087	405.2539#733.217#[137][M]+#[M+Na]+ 382.264
	Lovastatin	0.454
	Estradiol-17-phenylpropionate	0.076
406.079634859777	Lancerin	1	0	0.554883804506707	088	407.0869#140.325#[138][M]+#
408.091295075921	Tetracenomycin E	0.683	0.901	0.0407893615824095	089	409.0986#208.972#[139][M]+#[M+Na]+ 386.113
	Tetracenomycin B2	0.317
408.147824068588	Transferred to D00228	0.28	0.893	0.649522707548047	090	409.1551#343.236#[140][M]+#[M+Na]+ 386.159
	Amlodipine	0.273
	Nodakenin	0.222
	Ginkgolide A	0.21
	Devazepide	0.016
408.163743499658	Bleekerine	0.3	0.952	0.805677885791414	091	409.171#219.24#[141][M]+#[M+Na]+ 386.183
	Devazepide	0.267
	Beclomethasone	0.206
	Transferred to D00370	0.114
	Tamsulosin	0.113
410.093152854384	Aklanonic acid methyl ester	0.382	0.933	0.00198881843783649	092	411.1004#353.815#[142][M]+#
	Aklaviketone	0.292
	Bensulfuron methyl	0.225
	Nicosulfuron	0.1
410.105786922619	Aklanonic acid methyl ester	0.468	0.937	0.471543139586578	093	411.1131#189.634#[143][M]+#[M+Na]+ 388.128
	Aklaviketone	0.354
	Nicosulfuron	0.178
410.182123237837	Benfuracarb	0.563	0.829	0.0120002140919411	094	411.1894#177.6585#[144][M]+#
	Flumethasone	0.204
	1-Isomangostin	0.118
	Mangostin	0.116
410.1835287522	Benfuracarb	0.594	0.658	0.225228341087042	095	411.1908#277.104#[145][M]+#
	Flumethasone	0.336
	1-Isomangostin	0.038
	Mangostin	0.033
410.182969668147	Benfuracarb	0.566	0.766	0.496462494256812	096	411.1902#361.166#[146][M]+#
	Flumethasone	0.289
	1-Isomangostin	0.075
	Mangostin	0.071
412.123850053949	Aklavinone	0.546	0.726	0.139804915378867	097	413.1311#75.751#[148][M]+#
	Eupachlorin	0.309
	Podophyllotoxone	0.136
	Ziprasidone	0.009
412.125315613587	Eupachlorin	0.54	0.835	0.843778042841683	098	413.1326#107.2335#[149][M]+#
	Aklavinone	0.37
	Podophyllotoxone	0.09
412.198826052099	GF 109203X	1	0	0.215766006850527	099	413.2061#393.9175#[150][M]+#[M+H-CH2]+ 426.216
412.198473968957	GF 109203X	1	0	0.0594968536790472	100	413.2057#346.4145#[151][M]+#
414.088179355998	Premithramycinone	1	0	0.00364762893355275	101	415.0955#402.251#[152][M]+#[M+H-H20]+ 432.096
414.085363650165	Premithramycinone	0.977	0.158	0.298907265163719	102	415.0926#302.4995#[153][M]+#[M+H-H20]+ 432.094
	(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate	0.023
414.193208502711	Naltrindole	0.748	0.495	0.339642951938622	103	415.2005#635.6105#[154][M]+#[M+H]+ 414.194
	Transferred to D01119	0.036
	Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate	0.036
	Eplerenone	0.033
	Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate	0.032
	Transferred to D01116	0.03
	Transferred to D01118	0.029
	Transferred to D01117	0.028
	Magnoshinin	0.028
414.215401337003	Deacetylvindoline	0.856	0.316	0.305205920986046	104	415.2227#356.441#[155][M]+#
	Transferred to D01116	0.02
	Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate	0.02
	Transferred to D01117	0.02
	Transferred to D01118	0.018
	Magnoshinin	0.016
	Eplerenone	0.014
	Transferred to D01119	0.013
	Tentoxin	0.013
	Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate	0.01
416.103600266882	O-Carbamoyl-deacetylcephalosporin C	0.652	0.624	0.00548474475342742	105	417.1109#469.264#[156][M]+#[M+H]+ 416.105
	Trovafloxacin	0.074
	Puerarin	0.056
	Daidzin	0.055
	Flavonol 7-O-beta-D-glucoside	0.054
	Frangulin A	0.052
	Chrysophanol 8-O-beta-D-glucoside	0.047
	Tenitramine	0.012
418.081721118586	5'-Butyrylphosphoinosine	1	0	0.376079714700268	106	419.089#244.2515#[157][M]+#[M+H-C6H10O5]+ 580.131
418.078482132038	5'-Butyrylphosphoinosine	1	0	0.29392551411066	107	419.0858#331.5725#[158][M]+#[M+H]+ 418.081
422.109568116456	Tetracenomycin A2	0.892	0.378	0.723606363898303	108	423.1168#66.9345#[159][M]+#[M+Na]+ 400.127
	Catechin 7-O-beta-D-xyloside	0.056
	Plicatic acid	0.052
422.110993195455	Tetracenomycin A2	0.468	0.964	0.00992990296073537	109	423.1183#247.264#[160][M]+#
	Catechin 7-O-beta-D-xyloside	0.274
	Plicatic acid	0.258
428.102972443215	epsilon-Rhodomycinone	1	0	0.312125519126965	110	429.1102#314.852#[162][M]+#[M+H-H20]+ 446.113
428.103479664795	epsilon-Rhodomycinone	1	0	0.000909057353815967	111	429.1108#353.655#[163][M]+#[M+H-H20]+ 446.112
428.11638030137	epsilon-Rhodomycinone	0.763	0.79	0.265759923053446	112	429.1237#70.092#[164][M]+#[M+Na]+ 406.137
	Eupachloroxin	0.237
428.192559322271	Carapanaubine	0.807	0.708	0.931646903001067	113	429.1998#146.3515#[165][M]+#
	psi-Rhodomyrtoxin	0.193
428.192045074752	Carapanaubine	0.763	0.79	0.262361823284587	114	429.1993#170.6735#[166][M]+#
	psi-Rhodomyrtoxin	0.237
430.076473447056	CMP-2-aminoethylphosphonate	1	0	0.88820105163886	115	431.0837#259.825#[167][M]+#[M+H-COCH2]+ 472.079
430.116382738689	N-Ethylmaleimide-S-glutathione	0.496	0.804	0.00119570462200103	116	431.1237#422.037#[168][M]+#
	Bispyribac acid	0.44
	Ononin	0.063
432.095751589322	7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C	0.728	0.5	0.00653770067396731	117	433.103#419.102#[169][M]+#[M+H-C2H4]+ 460.13
	Apigenin 7-O-beta-D-glucoside	0.052
	Apigenin-6-C-glucoside	0.052
	Vitexin	0.046
	Genistein 7-O-beta-D-glucoside	0.03
	Afzelin	0.022
	Genistein 8-C-glucoside	0.022
	Aerobacter aerogenes capsular polysaccharide	0.017
	Emodin 8-glucoside	0.016
	Kallikrein	0.016
432.093396547457	7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C	0.952	0.129	0.834738559359274	118	433.1007#302.5615#[170][M]+#[M+H]+ 432.094
	Vitexin	0.01
	Apigenin 7-O-beta-D-glucoside	0.008
	Apigenin-6-C-glucoside	0.007
	Genistein 7-O-beta-D-glucoside	0.005
	Emodin 8-glucoside	0.005
	Afzelin	0.004
	Genistein 8-C-glucoside	0.004
	Kallikrein	0.004
	Aerobacter aerogenes capsular polysaccharide	0.003
432.091961904739	7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C	1	0	0.0171054637643031	119	433.0992#402.251#[171][M]+#[M+H]+ 432.096
436.126026159622	Phlorizin	1	0	0.169751444071832	120	437.1333#283.267#[173][M]+#
440.063801798531	N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-[p-	1	0	0.0195117085721781	121	441.0711#330.9555#[175][M]+#[M+Na]+ 418.081
442.133633809157	12-Dehydrotetracycline	0.581	0.981	0.35416265911897	122	443.1409#146.574#[179][M]+#[M+Na]+ 420.153
	Methacycline	0.419
442.132117411355	12-Dehydrotetracycline	0.582	0.981	0.695131793010926	123	443.1394#162.7715#[180][M]+#[M+Na]+ 420.154
	Methacycline	0.418
446.11099352956	Cephamycin C	0.86	0.349	0.426967504711192	124	447.1183#314.892#[183][M]+#[M+H]+ 446.113
	Glycitin	0.034
	Trifolirhizin	0.034
	Biochanin A-beta-D-glucoside	0.032
	Physcion 8-glucoside	0.02
	Obtusifolin 2-glucoside	0.019
446.110359145407	Cephamycin C	0.906	0.256	0.000948091416565822	125	447.1176#353.883#[184][M]+#[M+H]+ 446.112
	Biochanin A-beta-D-glucoside	0.026
	Trifolirhizin	0.02
	Glycitin	0.02
	Obtusifolin 2-glucoside	0.016
	Physcion 8-glucoside	0.012
448.271625951205	N-Acetyl-leu-leu-tyr-amide	0.794	0.59	0.00844520026385354	126	449.2789#733.568#[185][M]+#[M+Na]+ 426.288
	16alpha,17alpha-Dihydroxyprogesterone acetophenide	0.12
	16-Feruloyloxypalmitate	0.086
449.086855969049	Glucolesquerellin	1	0	0.602043857241334	127	450.0941#259.7705#[186][M]+#[M+Na]+ 427.101
452.097516646111	Cinchonain 1a	1	0	0.000480924356618839	128	453.1048#422.074#[187][M]+#[M+K]+ 414.139
452.099973749896	Cinchonain 1a	1	0	0.000258382067110041	129	453.1072#403.974#[188][M]+#
452.151280363402	Urdamycinone B	1	0	0.743041987727475	130	453.1586#635.585#[189][M]+#[M+K]+ 414.194
454.075959724423	1-(5'-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole	1	0	0.931280850207599	131	455.0832#302.812#[190][M]+#[M+Na]+ 432.094
454.079773513729	1-(5'-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole	1	0	0.00543758824908247	132	455.087#402.254#[191][M]+#[M+Na]+ 432.096
458.073662995971	8-Demethyltetracenomycin C	0.734	0.836	0.0572969268734331	133	459.0809#280.3755#[194][M]+#
	Epigallocatechin 3-gallate	0.266
462.106205248742	Isoscoparine	0.307	0.966	0.436519120365616	134	463.1135#321.1395#[196][M]+#[M+H]+ 462.109
	Farnesyl triphosphate	0.252
	Swertiajaponin	0.152
	Tectoridin	0.146
	6-Methoxyluteolin 7-rhamnoside	0.143
462.10904562513	Isoscoparine	0.408	0.873	0.00186159821379106	135	463.1163#429.355#[197][M]+#[M+H-C6H10O4]+ 608.165
	6-Methoxyluteolin 7-rhamnoside	0.2
	Tectoridin	0.188
	Swertiajaponin	0.178
	Farnesyl triphosphate	0.026
462.103603278216	Farnesyl triphosphate	0.808	0.46	0.798414163789815	136	463.1109#269.372#[198][M]+#[M+H]+ 462.103
	Isoscoparine	0.08
	Tectoridin	0.046
	Swertiajaponin	0.034
	6-Methoxyluteolin 7-rhamnoside	0.032
462.290608732662	3-Dehydroecdysone	0.511	1	0.0987979090293893	137	463.2979#774.1335#[201][M]+#[M+Na]+ 440.307
	Podecdysone B	0.489
464.085316261586	Quercetin 3-O-glucoside	0.39	0.9	0.207472780542355	138	465.0926#212.5315#[202][M]+#[M+H]+ 464.088
	Bracteatin 6-O-glucoside	0.122
	Gossypetin 8-rhamnoside	0.119
	Hyperin	0.11
	Quercimeritrin	0.102
	Myricitrin	0.09
	11-O-Demethylpradinone I	0.066
466.11636785246	Quercetin 7-O-glucoside	0.422	0.844	0.05737921430589	139	467.1236#472.355#[204][M]+#
	Plantagoside	0.391
	Silandrin	0.114
	S-(4-Azidophenacyl)glutathione	0.074
472.218002701327	Deoxylimonate	0.503	1	5.59601476268767e-10	140	473.2253#436.004#[212][M]+#
	Bryophyllin A	0.497
479.202318701627	Nicardipine	0.503	1	0.2283970909774	141	480.2096#273.2935#[216][M]+#
	Transferred to D00436	0.496
480.151842555335	Blestriarene B	0.695	0.685	0.0280214057627055	142	481.1591#362.77#[218][M]+#
	Bruceine B	0.105
	Isobrucein B	0.104
	Paeoniflorin	0.096
482.108014193536	Silymarin	0.34	1	0.00575636580598227	143	483.1153#419.084#[220][M]+#[M+Na]+ 460.13
	Isosilybin	0.337
	Silychristin	0.323
482.130061941356	Silychristin	0.338	0.891	0.253725927305862	144	483.1373#188.018#[221][M]+#
	Isosilybin	0.312
	Silymarin	0.303
	Catalposide	0.047
484.084631770405	1-O,6-O-Digalloyl-beta-D-glucose	1	0	0.401243564887432	145	485.0919#269.367#[222][M]+#[M+Na]+ 462.103
484.331227141564	N-tert-Butyloxycarbonyl-deacetyl-leupeptin	0.922	0.397	0.319201064450202	146	485.3385#773.506#[223][M]+#
	Propapyriogenin A2	0.078
488.214514763793	Limonoate D-ring-lactone	0.516	0.936	0.0895524910144574	147	489.2218#417.429#[226][M]+#
	Limonoate A-ring-lactone	0.248
	Ichangin	0.236
492.118422340767	Aurantio-obtusin beta-D-glucoside	1	0	0.277261021738794	148	493.1257#400.2615#[228][M]+#[M+H]+ 492.119
492.134755212173	Aurantio-obtusin beta-D-glucoside	1	0	0.401417927951888	149	493.142#451.667#[229][M]+#
493.117916865231	Glucohirsutin	1	0	0.774616431055781	150	494.1252#381.3005#[233][M]+#
498.12078434455	Bis-gamma-glutamylcystine	1	0	0.0509423203526405	151	499.1281#153.941#[237][M]+#[M+Na]+ 476.143
504.147307367408	Clindamycin phosphate	1	0	0.0369889592440493	152	505.1546#120.501#[239][M]+#[M+Na]+ 482.168
514.139942400471	S-Formylmycothiol	1	0	0.00411828701921402	153	515.1472#504.6155#[244][M]+#
514.169231904452	Phthalocyanine	1	0	0.000815403866715636	154	515.1765#343.565#[245][M]+#[M+Na]+ 492.191
526.134875977	3-Hydroxy-L-tyrosyl-AMP	1	0	9.81344208195178e-05	155	527.1422#31.445#[253][M]+#[M+Na]+ 504.156
526.136902853488	3-Hydroxy-L-tyrosyl-AMP	1	0	0.0390163024123806	156	527.1442#505.25#[254][M]+#
532.133749701599	Trichotomine	0.634	0.763	0.0129240868578842	157	533.141#224.3#[260][M]+#
	Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside)	0.13
	Malonylglycitin	0.12
	(-)-Maackiain-3-O-glucosyl-6''-O-malonate	0.115
536.214606620235	Lappaol A	0.501	1	0.0571418416384786	158	537.2219#413.051#[262][M]+#
	Schisantherin A	0.498
542.107008922919	Isochamaejasmin	0.507	1	0.971475089908361	159	543.1143#31.13#[270][M]+#[M+K]+ 504.156
	Rugulosin	0.493
542.130159523326	Rugulosin	0.504	1	0.77386065333826	160	543.1374#298.0595#[271][M]+#
	Isochamaejasmin	0.496
544.143894612249	Premithramycin A1	1	0	0.0030001579510226	161	545.1512#149.518#[274][M]+#[M+Na]+ 522.164
544.144818808655	Premithramycin A1	1	0	0.000395605552670819	162	545.1521#186.744#[275][M]+#[M+H]+ 544.142
556.146559452224	Aurasperone D	1	0	0.000223552802659732	163	557.1538#549.386#[285][M]+#[M+H]+ 556.143
556.232573266439	3-Vinylbacteriochlorophyllide d	0.95	0.284	0.115586569505405	164	557.2398#243.899#[286][M]+#[M+Na]+ 534.255
	Ingenol 3,20-dibenzoate	0.05
562.160264880853	Albanol A	0.411	0.796	0.000552973800885592	165	563.1675#437.004#[298][M]+#[M+H]+ 562.161
	Flavonol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside	0.338
	Gambiriin B1	0.065
	Gambiriin C	0.064
	Gambiriin B2	0.061
	Gambiriin B3	0.06
564.134453853661	Apigenin 7-O-[beta-D-apiosyl-(1->2)-beta-D-glucoside]	0.222	0.999	0.60131278200299	166	565.1417#257.608#[299][M]+#[M+H]+ 564.137
	Isovitexin 2''-O-arabinoside	0.204
	Glucofrangulin B	0.196
	Schaftoside	0.194
	Neoschaftoside	0.184
564.135200910337	Apigenin 7-O-[beta-D-apiosyl-(1->2)-beta-D-glucoside]	0.212	0.999	0.00178786264668318	167	565.1425#333.5285#[300][M]+#[M+H]+ 564.136
	Isovitexin 2''-O-arabinoside	0.21
	Neoschaftoside	0.206
	Glucofrangulin B	0.188
	Schaftoside	0.185
564.137845734362	Isovitexin 2''-O-arabinoside	0.212	0.999	0.258813626946343	168	565.1451#288.258#[301][M]+#[M+H]+ 564.139
	Apigenin 7-O-[beta-D-apiosyl-(1->2)-beta-D-glucoside]	0.212
	Neoschaftoside	0.196
	Glucofrangulin B	0.19
	Schaftoside	0.19
564.170433108256	Protoaphin aglucone	0.645	0.682	0.940297288698844	169	565.1777#136.5145#[302][M]+#[M+Na]+ 542.191
	Pinocembrin 7-rhamnosylglucoside	0.077
	Cascaroside C	0.072
	Aloinoside A	0.071
	Aloinoside B	0.068
	Cascaroside D	0.066
566.155265026115	Jamaicamide A	1	0	0.597343832455304	170	567.1625#354.2655#[303][M]+#
567.272982811738	3'-Deoxydihydrostreptomycin	1	0	0.605428214834971	171	568.2803#530.167#[304][M]+#[M+H+NH3]+ 550.253
578.150299202055	Procyanidin B2	0.19	0.91	0.000176532769940785	172	579.1576#401.938#[317][M]+#
	Procyanidin B5	0.184
	Epicatechin-(4beta->8)-ent-epicatechin	0.184
	Procyanidin B4	0.166
	Vitexin 2''-O-beta-L-rhamnoside	0.116
	Apigenin 7-O-neohesperidoside	0.048
	Kaempferitrin	0.038
	Glucofrangulin A	0.038
	Violanthin	0.036
578.154149628856	Vitexin 2''-O-beta-L-rhamnoside	0.343	0.894	0.102471864240893	173	579.1614#298.094#[318][M]+#[M+H-C6H10O5]+ 740.207
	Apigenin 7-O-neohesperidoside	0.14
	Violanthin	0.109
	Glucofrangulin A	0.1
	Kaempferitrin	0.089
	Procyanidin B2	0.066
	Procyanidin B5	0.056
	Procyanidin B4	0.049
	Epicatechin-(4beta->8)-ent-epicatechin	0.048
578.184808653036	Podorhizol beta-D-glucoside	1	0	0.00197004493430075	174	579.1921#153.845#[319][M]+#
580.127551703901	Sciadopitysin	0.845	0.49	0.174082889934113	175	581.1348#244.25#[320][M]+#[M+H]+ 580.131
	Carlinoside	0.079
	Neocarlinoside	0.076
580.349821577201	alpha-D-Glucosyllipopolysaccharide	0.38	0.912	0.00025896781086665	176	581.3571#731.488#[321][M]+#
	alpha,alpha'-Trehalose 6-palmitate	0.361
	Tokoronin	0.136
	Convallasaponin A	0.123
585.232072984663	Bluensomycin	1	0	0.7463242033944	177	586.2393#275.936#[326][M]+#[M+H+NH3]+ 568.203
586.156948665385	Amarogentin	0.517	0.999	0.521464994658182	178	587.1642#409.208#[331][M]+#[M+H-C5H8O4]+ 718.201
	Phyllanthostatin A	0.483
588.172065477704	Etoposide	0.344	1	0.112646279683814	179	589.1793#217.382#[333][M]+#[M+H-C6H10O4]+ 734.222
	Factor Xa	0.334
	Flavonoid	0.321
588.170543969699	Factor Xa	0.338	1	0.0349479147938405	180	589.1778#311.064#[334][M]+#
	Etoposide	0.333
	Flavonoid	0.328
592.170241813734	7-O-Methylvitexin 2''-O-beta-L-rhamnoside	0.606	0.968	0.287646182369942	181	593.1775#371.957#[344][M]+#[M+H]+ 592.17
	1,2-Bis-O-sinapoyl-beta-D-glucoside	0.394
594.144148845586	Tribuloside	0.483	0.804	0.000312027365367396	182	595.1514#260.428#[348][M]+#[M+H]+ 594.147
	Vitexin 2''-O-beta-D-glucoside	0.074
	Isovitexin 2''-O-beta-D-glucoside	0.07
	Scolymoside	0.07
	Vicenin-2	0.064
	Saponarin	0.063
	Paniculatin	0.062
	Multiflorin B	0.057
	Isoorientin 2''-O-rhamnoside	0.056
594.147174415799	Tribuloside	0.144	0.996	0.00360973875030668	183	595.1545#389.984#[349][M]+#[M+H]+ 594.148
	Scolymoside	0.118
	Vitexin 2''-O-beta-D-glucoside	0.116
	Vicenin-2	0.116
	Saponarin	0.115
	Isovitexin 2''-O-beta-D-glucoside	0.112
	Multiflorin B	0.098
	Isoorientin 2''-O-rhamnoside	0.094
	Paniculatin	0.088
594.149518690659	Isovitexin 2''-O-beta-D-glucoside	0.138	0.992	0.100891916803075	184	595.1568#295.303#[350][M]+#[M+H]+ 594.15
	Scolymoside	0.126
	Paniculatin	0.122
	Multiflorin B	0.118
	Vicenin-2	0.112
	Saponarin	0.11
	Vitexin 2''-O-beta-D-glucoside	0.106
	Isoorientin 2''-O-rhamnoside	0.106
	Tribuloside	0.062
594.148308792141	Isovitexin 2''-O-beta-D-glucoside	0.127	0.998	0.540787189993795	185	595.1556#246.513#[351][M]+#[M+H]+ 594.149
	Scolymoside	0.123
	Saponarin	0.118
	Vicenin-2	0.114
	Multiflorin B	0.112
	Vitexin 2''-O-beta-D-glucoside	0.106
	Paniculatin	0.106
	Isoorientin 2''-O-rhamnoside	0.104
	Tribuloside	0.09
596.127606096139	Quercetin 3-O-[beta-D-xylosyl-(1->2)-beta-D-glucoside]	1	0	0.902320727246431	186	597.1349#233.0755#[352][M]+#
608.164578562589	Physcion 8-gentiobioside	0.352	0.999	0.0419664619360964	187	609.1719#327.467#[368][M]+#[M+H]+ 608.164
	Spinosin	0.326
	Diosmin	0.321
608.164076787667	Diosmin	0.334	1	0.00421051712751974	188	609.1714#429.623#[369][M]+#[M+H]+ 608.165
	Spinosin	0.334
	Physcion 8-gentiobioside	0.332
610.138698152979	Gallocatechin-(4alpha->8)-epigallocatechin	0.588	0.742	0.068757856718979	189	611.146#211.4575#[371][M]+#
	Rutin	0.12
	Lucenin-2	0.078
	Kaempferol 3-O-beta-D-glucosylgalactoside	0.076
	Kaempferol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside	0.07
	Multinoside A	0.068
610.147619654347	Rutin	0.283	0.916	0.0117984590901843	190	611.1549#288.3965#[372][M]+#[M+H+HCOOH]+ 564.139
	Kaempferol 3-O-beta-D-glucosylgalactoside	0.188
	Kaempferol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside	0.18
	Multinoside A	0.169
	Lucenin-2	0.165
	Gallocatechin-(4alpha->8)-epigallocatechin	0.015
614.151108366009	CMP-N-acetylneuraminate	1	0	0.19627721905923	191	615.1584#371.923#[374][M]+#[M+Na]+ 592.17
624.191342336372	Methyl hesperidin	0.27	0.999	0.144956070074133	192	625.1986#143.716#[387][M]+#
	Verbascoside	0.25
	Magnoloside A	0.243
	Forsythiaside	0.237
624.191385920318	Verbascoside	0.27	0.999	0.518504902464093	193	625.1987#117.405#[388][M]+#
	Methyl hesperidin	0.25
	Magnoloside A	0.245
	Forsythiaside	0.236
628.223211176047	Chlorophyllide b	0.516	0.999	0.00223115465506174	194	629.2305#100.947#[390][M]+#
	Gnidicin	0.484
630.146249618332	CMP-N-glycoloylneuraminate	1	0	0.0219692399104543	195	631.1535#327.425#[391][M]+#[M+Na]+ 608.164
630.146478980168	CMP-N-glycoloylneuraminate	1	0	0.00548962540312514	196	631.1538#429.664#[392][M]+#[M+Na]+ 608.165
634.270311514114	Ansamitocin P3	0.509	0.652	2.64077203082635e-06	197	635.2776#399.5465#[398][M]+#
	3-Hydroxyethylbacteriochlorophyllide a	0.488
	Rescinnamine	0.004
639.301736148562	34a-Deoxy-rifamycin W	0.505	1	0.543865248425505	198	640.309#549.188#[403][M]+#[M+H+NH3]+ 622.276
	Protorifamycin I	0.494
654.150314741782	2-(S-Glutathionyl)acetyl glutathione	1	0	0.591863367632081	199	655.1576#410.495#[410][M]+#
660.22192101464	Elloramycin A	1	0	0.30061897866605	200	661.2292#333.471#[419][M]+#[M+Na]+ 638.245
666.219887899529	Cellotetraose	0.156	0.993	1.2470782630114e-05	201	667.2272#478.9005#[423][M]+#
	Isolychnose	0.106
	Maltotetraose	0.098
	Stachyose	0.096
	Lychnose	0.095
	alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-	0.094
	Glycogen	0.09
	Man9(GlcNAc)2	0.09
	1,3-alpha-D-Mannosyl-1,2-alpha-D-mannosyl-1,2-alpha-D-mannosyl-D-	0.087
	Man5(GlcNAc)3	0.087
682.267201436936	Bruceoside A	1	0	0.046799701598248	202	683.2745#355.462#[432][M]+#[M+Na]+ 660.287
696.324018030581	Thalicarpine	1	0	0.0231794871365136	203	697.3313#506.231#[440][M]+#
700.279600738291	Catheduline E2	1	0	0.735802553581765	204	701.2869#295.217#[442][M]+#[M+Na]+ 678.298
726.18977829464	Lampranthin II	0.443	0.902	0.412724476962514	205	727.1971#250.244#[457][M]+#[M+H]+ 726.193
	Gomphrenin-V	0.426
	Amaranthin	0.132
740.178852471495	Kandelin A-1	1	0	0.00680537542373605	206	741.1861#458.402#[460][M]+#
740.184427537087	Kandelin A-1	1	0	0.177553448221169	207	741.1917#408.899#[461][M]+#[M+Na]+ 718.201
740.204889300884	Robinin	1	0	0.379047256073547	208	741.2122#252.0295#[462][M]+#[M+H]+ 740.205
740.206395404601	Robinin	1	0	0.0979124415589112	209	741.2137#297.796#[463][M]+#[M+H]+ 740.207
746.129512346643	Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester	1	0	0.535151737270648	210	747.1368#168.773#[465][M]+#[2M+K]+ 354.087
748.279503380625	Methanofuran	1	0	0.0300224130251519	211	749.2868#393.109#[466][M]+#
769.420895139046	Niddamycin	1	0	0.155305260143205	212	770.4282#690.6305#[474][M]+#
800.480945360168	Ginsenoside Rg1	0.506	1	5.68847300153053e-06	213	801.4882#725.899#[478][M]+#[M+Na]+ 778.502
	Ginsenoside Rf	0.494
828.270855571504	Cellopentaose	0.362	0.998	0.554200838237389	214	829.2781#404.799#[479][M]+#
	beta-D-Fructofuranosyl	0.326
	Amylopectin	0.312
828.2699951219	Cellopentaose	0.372	0.996	0.877068742833006	215	829.2773#421.647#[480][M]+#[2M+H]+ 414.139
	beta-D-Fructofuranosyl	0.33
	Amylopectin	0.298
914.209999237348	beta-Phenylalanoyl-CoA	1	0	0.241936120910752	216	915.2173#314.834#[492][M]+#[2M+Na]+ 446.113
914.209644995477	beta-Phenylalanoyl-CoA	1	0	0.000511314632235527	217	915.2169#353.9795#[493][M]+#[2M+Na]+ 446.112
204.075679145393	3-Butylidene-7-hydroxyphthalide	0.597	0.973	0.356686719127301	218	149.0186#751.189#[9][M]+#[M+H-C4H8]+ 204.076
	Levamisole	0.403
182.128981608819	Decahydro-2-naphthoic acid	0.51	1	0.0450081249393672	219	141.1263#703.188##[M+H-COCH2]+ 182.129
	Geranyl formate	0.49
576.418475415131	2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone	0.509	1	0.526020698359016	220	615.3876#706.1055##[M+K]+ 576.418
	3-Hexaprenyl-4-hydroxy-5-methoxybenzoate	0.49
601.055259669093	2-Phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol	1	0	0.968000951679364	221	913.568#706.105##[3M+H+Na]2+ 601.055
137.045149526423	N-Methylnicotinate	0.284	0.895	5.25526909469498e-05	222	176.008#31.1285##[M+K]+ 137.045
	Anthranilate	0.28
	4-Nitrotoluene	0.152
	4-Aminobenzoate	0.142
	Arabinogalactan	0.126
	4-Fluoro-L-threonine	0.016
179.078120775115	Kanosamine	0.124	0.998	0.673514508364629	223	180.0832#31.773##[M+H]+ 179.078 [M+2H-COCH2]2+ 400.166
	1-Amino-1-deoxy-scyllo-inositol	0.122
	D-Glucosamine	0.118
	D-Galactosamine	0.116
	beta-D-Glucosamine	0.113
	D-Mannosamine	0.11
	Nojirimycin	0.11
	neo-Inosamine-2	0.102
	7-Aminomethyl-7-deazaguanine	0.085
258.068940485599	Northienamycin	0.682	0.549	0.791424781856129	224	127.0354#32.082#[3][M]+#[M+H-C5H8O4]+ 258.069
	Thalidomide	0.283
	Streptamine phosphate	0.018
	Streptamine 4-phosphate	0.018
263.057691016675	Ticlopidine	1	0	0.0161295069198353	225	264.0663#30.805##[M+H]+ 263.058
342.093443143645	Caffeic acid 3-glucoside	0.506	1	0.663128436664807	226	365.0842#32.156#[93][M]+#[M+Na]+ 342.093
	1-Caffeoyl-beta-D-glucose	0.494
360.077947691598	3',4',5-Trihydroxy-3,6,7-trimethoxyflavone	0.185	0.984	0.159970878000624	227	383.0716#31.759##[M+Na]+ 360.078
	Rosmarinate	0.103
	Oxyayanin A	0.097
	Acerosin	0.096
	Chrysosplenol C	0.094
	Thymonin	0.093
	Arcapillin	0.092
	Oxyayanin B	0.084
	Irigenin	0.078
	6-Methoxyaromadendrin 3-O-acetate	0.078
493.156251516769	Transferred to D01801	0.256	0.917	0.00689207714425222	228	516.142#30.8075##[M+Na]+ 493.156
	Aspoxicillin	0.246
	Transferred to D02417	0.243
	Transferred to D01802	0.228
	Glyburide	0.028
504.155708541037	Sergeolide	0.272	0.755	0.971475089908361	229	543.1143#31.13#[270][M]+#[M+K]+ 504.156
	Urdamycinone F	0.267
	Clindamycin phosphate	0.154
	Raffinose	0.03
	D-Gal alpha 1->6D-Gal alpha 1->6D-Glucose	0.028
	Cellotriose	0.024
	6-alpha-Maltosylglucose	0.023
	Neurotensin	0.022
	Isomaltotriose	0.021
	beta-D-Fructofuranosyl	0.02
	6F-alpha-D-Galactosylsucrose	0.02
	Maltotriose	0.018
	Umbelliferose	0.018
	Melezitose	0.018
	Acyl-sn-glycerol 3-phosphate	0.018
	1F-beta-D-Fructosylsucrose	0.016
	Panose	0.016
	Galactomannan	0.013
448.184836403091	Lonchocarpenin	1	0	0.509955003363969	230	471.1707#262.62#[210][M]+#[M+Na]+ 448.185
143.091090397933	Stachydrine	0.501	1	0.1776511140794	231	130.0818#34.644##[M+H-CH2]+ 143.091
	4-(Trimethylammonio)but-2-enoate	0.499
193.106874936527	Heliamine	0.258	1	0.00126218981893711	232	138.0507#34.601##[M+H-C4H8]+ 193.107
	3,4-Methylenedioxymethamphetamine	0.256
	Butamben	0.244
	(-)-Salsoline	0.242
550.094706965121	Quercetin 3-O-(6-O-malonyl-beta-D-glucoside)	1	0	0.0032237085700233	233	589.0586#35.237##[M+K]+ 550.095
180.114114379861	3-tert-Butyl-5-methylcatechol	1	0	0.0397037255490154	234	203.1051#732.913##[M+Na]+ 180.114
426.288232344583	Leupeptin	0.922	0.393	0.00075851873151267	235	444.3201#733.568##[M+H+NH3]+ 426.288
	Azafrin	0.078
432.095838016279	7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C	0.716	0.514	0.0171054637643031	236	433.0992#402.251#[171][M]+#[M+H]+ 432.096
	Apigenin 7-O-beta-D-glucoside	0.06
	Apigenin-6-C-glucoside	0.057
	Vitexin	0.044
	Genistein 7-O-beta-D-glucoside	0.031
	Aerobacter aerogenes capsular polysaccharide	0.024
	Afzelin	0.019
	Emodin 8-glucoside	0.016
	Genistein 8-C-glucoside	0.016
	Kallikrein	0.016
256.236341674546	Hexadecanoic acid	1	0	0.0972515426234388	237	296.2506#696.5625##[M+K+NH3]+ 240.262 [M+Na+NH3]+ 256.236 [M+H+NH3]+ 278.218
278.218474050757	(9Z,12Z,15Z)-Octadecatrienoic acid	0.184	0.999	0.0972515426234388	238	296.2506#696.5625##[M+K+NH3]+ 240.262 [M+Na+NH3]+ 256.236 [M+H+NH3]+ 278.218
	5beta-Estrane-3alpha,17beta-diol	0.174
	(9Z,11E,13E)-Octadecatrienoic acid	0.173
	Crepenynate	0.16
	Punicic acid	0.16
	(6Z,9Z,12Z)-Octadecatrienoic acid	0.15
282.262675829502	(9Z)-Octadecenoic acid	0.217	0.999	0.205968971498184	239	265.2472#664.601##[M+H]+ 264.242 [M+H-H20]+ 282.263
	(6Z)-Octadecenoic acid	0.209
	omega-Cycloheptylundecanoic acid	0.198
	(11E)-Octadecenoic acid	0.19
	(9E)-Octadecenoic acid	0.186
734.472545954368	beta-Hederin	1	0	1.20863983907871e-05	240	773.4381#726.868##[M+K]+ 734.473
206.163059388198	(+)-trans-alpha-Irone	0.274	0.999	0.411800067520924	241	229.1484#34.295##[M+Na]+ 206.163
	alpha-Irone	0.249
	4-tert-Octylphenol	0.24
	4-Octylphenol	0.236
134.036075137227	(-)-Ureidoglycolate	0.505	1	0.778053941534337	242	135.0421#168.7715##[M+H]+ 134.036
	(+)-Ureidoglycolate	0.494
352.076815644648	4-Methylumbelliferone glucuronide	0.604	0.969	0.910469504005437	243	551.1057#168.75##[3M+2Na]2+ 352.077
	Griseofulvin	0.396
353.082620834138	SB 221284	0.424	0.803	0.906315036042386	244	751.1545#168.79##[2M+2Na-H]+ 353.083
	B 823-08	0.419
	Rugosinone	0.112
	2,5-Diamino-6-(5'-phosphoribosylamino)-4-pyrimidineone	0.046
354.087233264499	(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-	0.554	0.811	0.945842847174992	245	355.091#168.773#[88][M]+#[M+H]+ 354.087
	Biflorin	0.117
	Chlorogenate	0.113
	Scopolin	0.11
	Neochlorogenic acid	0.106
192.150616542994	beta-Ionone	0.35	0.999	0.451491827112552	246	175.1456#243.9095#[13][M]+#[M+H-H20]+ 192.151
	alpha-Ionone	0.331
	4-n-Heptylphenol	0.318
354.197645285662	Stemmadenine	0.268	0.989	0.275663529753951	247	193.1569#243.292##[M+H]+ 192.151 [M+H-C6H10O5]+ 354.198
	Minovincinine	0.212
	Yohimbine	0.186
	Vincamine	0.172
	17-O-Acetylnorajmaline	0.162
534.25484888281	Pyropheophorbide a	0.513	1	0.115586569505405	248	557.2398#243.899#[286][M]+#[M+Na]+ 534.255
	GV 150013X	0.487
580.13149865225	Sciadopitysin	0.574	0.889	0.174082889934113	249	581.1348#244.25#[320][M]+#[M+H]+ 580.131
	Neocarlinoside	0.22
	Carlinoside	0.206
356.08390528799	Synapsin	0.289	0.873	0.74796820462167	250	535.1359#302.4855##[3M+2H]2+ 356.084
	Sulindac	0.282
	Tetracenomycin M	0.217
	Fridamycin E	0.206
	5-Amino-6-(5'-phosphoribitylamino)uracil	0.007
432.094207280931	7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C	0.897	0.236	0.834738559359274	251	433.1007#302.5615#[170][M]+#[M+H]+ 432.094
	Apigenin-6-C-glucoside	0.022
	Vitexin	0.019
	Apigenin 7-O-beta-D-glucoside	0.018
	Genistein 7-O-beta-D-glucoside	0.01
	Emodin 8-glucoside	0.008
	Kallikrein	0.008
	Genistein 8-C-glucoside	0.007
	Afzelin	0.006
	Aerobacter aerogenes capsular polysaccharide	0.005
472.180646064747	5-Formiminotetrahydrofolate	1	0	0.0186564643554674	252	473.1909#302.783##[M+H]+ 472.181
520.187011500037	(-)-Pinoresinol glucoside	0.507	1	0.000241284014053322	253	543.1736#302.521#[272][M]+#[M+Na]+ 520.187
	Brusatol	0.492
330.066769797135	Penicillin O	0.274	0.928	0.0275341214233134	254	353.0578#259.571#[86][M]+#[M+Na]+ 330.067
	3',4',5-Trihydroxy-3,7-dimethoxyflavone	0.162
	Tricin	0.15
	Cirsiliol	0.075
	(-)-Bisdechlorogeodin	0.072
	Hildecarpin	0.07
	Aflatoxin G2	0.068
	Aurantio-obtusin	0.064
	(+)-Bisdechlorogeodin	0.064
463.048781155575	4-Hydroxyglucobrassicin	1	0	0.984442807819014	255	502.0117#259.7825##[M+K]+ 463.049 [M+Na]+ 479.023 [M+H]+ 501.005 [M+H-HCOOH]+ 547.012
479.022721155575	3,4-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene	0.52	0.999	0.984442807819014	256	502.0117#259.7825##[M+K]+ 463.049 [M+Na]+ 479.023 [M+H]+ 501.005 [M+H-HCOOH]+ 547.012
	2,3-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene	0.48
356.121882007974	Pioglitazone	0.184	0.999	0.060737803845011	257	179.0665#74.495##[M+2H]2+ 356.122
	Transferred to D00596	0.176
	Plaunol B	0.169
	Kievitone	0.164
	Leachianone G	0.162
	Cubebin	0.146
496.177305588913	Deoxypumiloside	1	0	0.291104224834158	258	653.1557#366.0825##[M+Na+CF3COOH]+ 496.177
712.280562314422	124-1	1	0	0.048425681862081	259	699.2708#364.716##[M+H-CH2]+ 712.281
238.074112832512	Halfordinol	0.574	0.833	0.272104291018335	260	369.106#63.463##[3M+H+Na]2+ 238.074
	Xanthopterin-B2	0.326
	3-Deoxy-D-manno-octulosonate	0.1
418.081142656175	5'-Butyrylphosphoinosine	1	0	0.29392551411066	261	419.0858#331.5725#[158][M]+#[M+H]+ 418.081
386.159332815119	Mesoridazine	1	0	0.649522707548047	262	409.1551#343.236#[140][M]+#[M+Na]+ 386.159
492.190506116797	Palmatoside G	1	0	0.000815403866715636	263	515.1765#343.565#[245][M]+#[M+Na]+ 492.191
594.147766716888	Vitexin 2''-O-beta-D-glucoside	0.122	0.999	0.00360973875030668	264	595.1545#389.984#[349][M]+#[M+H]+ 594.148
	Scolymoside	0.122
	Isovitexin 2''-O-beta-D-glucoside	0.118
	Paniculatin	0.114
	Tribuloside	0.112
	Isoorientin 2''-O-rhamnoside	0.108
	Saponarin	0.104
	Multiflorin B	0.104
	Vicenin-2	0.095
308.088194611162	Allamandin	0.411	0.959	0.0389643660495769	265	493.1206#382.104##[3M+Na+K]2+ 308.088
	Clobenpropit	0.39
	Alprazolam	0.198
587.065980931454	GDP-4-dehydro-6-deoxy-D-mannose	0.343	1	0.875583871182992	266	588.0715#381.3025##[M+H]+ 587.066
	GDP-4-keto-6-L-deoxygalactose	0.329
	GDP-4-dehydro-6-deoxy-L-mannose	0.328
192.07709890183	Dehydrozingerone	0.158	0.999	0.314414542238517	267	193.0838#317.9875##[M+H]+ 192.077
	Myristicin	0.15
	cis-1,2-Dihydroxy-1,2-dihydro-7-hydroxymethylnaphthalene	0.144
	Isoshinanolone	0.144
	Carpacin	0.14
	Nakitriol	0.138
	Sarisan	0.127
208.143597256571	4-Heptyloxyphenol	1	0	0.682296833397099	268	209.1491#222.083#[22][M]+#[M+H]+ 208.144
404.17046212153	Osajin	0.974	0.177	0.228618031428115	269	427.1651#221.141##[M+Na]+ 404.17
	Myxochelin A	0.026
406.13683334405	Astringin	0.222	0.997	0.265759923053446	270	429.1237#70.092#[164][M]+#[M+Na]+ 406.137
	Trichocarpin	0.222
	10-Hydroxyloganin	0.198
	Ipolamiide	0.184
	Morroniside	0.174
462.103237875092	Farnesyl triphosphate	0.88	0.326	0.401243564887432	271	485.0919#269.367#[222][M]+#[M+Na]+ 462.103
	Isoscoparine	0.054
	Swertiajaponin	0.024
	6-Methoxyluteolin 7-rhamnoside	0.022
	Tectoridin	0.021
123.039676727795	Pyrazinamide	1	0	0.368376619727434	272	146.0272#25.069##[M+Na]+ 123.04
168.037716952072	3,4-Dihydroxyphenylacetate	0.14	0.986	0.242489464362152	273	151.0325#25.0755##[M+H-H20]+ 168.038
	(S)-4-Hydroxymandelate	0.094
	Homogentisate	0.073
	4-Hydroxymethylsalicylate	0.07
	3,4-Dihydroxymandelaldehyde	0.07
	Orsellinate	0.066
	(R)-4-Hydroxymandelate	0.066
	1,2-Dihydrophthalic acid	0.064
	4-Hydroxypheoxyacetate	0.064
	2-Hydroxy-6-oxoocta-2,4,7-trienoate	0.06
	Vanillate	0.059
	2,6-Dihydroxyphenylacetate	0.058
	4-Hydroxymandelate	0.058
	2,6-Dimethoxybenzoquinone	0.058
253.929549611638	2,4,5-Trichlorophenoxyacetic acid	1	0	0.275753836529868	274	254.938#24.749##[M+H]+ 253.93
305.902186148331	Mitobronitol	1	0	9.44543947944965e-07	275	328.8899#24.754#[68][M]+#[M+Na]+ 305.902
446.112383532021	Cephamycin C	0.752	0.534	0.00220168292339507	276	469.0981#353.875#[207][M]+#[M+Na]+ 446.112
	Glycitin	0.062
	Biochanin A-beta-D-glucoside	0.058
	Trifolirhizin	0.05
	Physcion 8-glucoside	0.042
	Obtusifolin 2-glucoside	0.036
388.128480043094	Fructoselysine 6-phosphate	0.509	0.807	0.471543139586578	277	411.1131#189.634#[143][M]+#[M+Na]+ 388.128
	Secologanin	0.224
	Verbenalin	0.12
	Geniposide	0.108
	N5-Dinitrophenyl-L-ornithine methyl ester	0.038
162.028623655594	Umbelliferone	1	0	0.453928917074159	278	163.0336#123.3255#[11][M]+#[M+H]+ 162.029
340.090124161465	Vulgaxanthin-II	0.32	0.99	0.480914172757897	279	379.0564#123.028##[M+K]+ 340.09 [M+Na]+ 356.066 [M+H]+ 378.048
	Psorospermin	0.243
	Methylophiopogonone A	0.23
	S-[2-(N7-Guanyl)ethyl]-N-acetyl-L-cysteine	0.207
354.089033137618	(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-	0.357	0.958	0.277819762701878	280	377.0764#123.04#[104][M]+#[M+Na]+ 354.089
	Scopolin	0.168
	Neochlorogenic acid	0.168
	Biflorin	0.156
	Chlorogenate	0.152
356.066152359625	5-Amino-6-(5'-phosphoribitylamino)uracil	0.638	0.944	0.480914172757897	281	379.0564#123.028##[M+K]+ 340.09 [M+Na]+ 356.066 [M+H]+ 378.048
	IAA-94	0.362
378.048343926853	Chlorflavonin	0.746	0.817	0.480914172757897	282	379.0564#123.028##[M+K]+ 340.09 [M+Na]+ 356.066 [M+H]+ 378.048
	6-Methylthiopurine 5'-monophosphate ribonucleotide	0.254
594.149740194725	Scolymoside	0.14	0.984	0.100891916803075	283	595.1568#295.303#[350][M]+#[M+H]+ 594.15
	Isovitexin 2''-O-beta-D-glucoside	0.127
	Vitexin 2''-O-beta-D-glucoside	0.12
	Vicenin-2	0.12
	Multiflorin B	0.118
	Saponarin	0.115
	Paniculatin	0.114
	Isoorientin 2''-O-rhamnoside	0.107
	Tribuloside	0.04
594.14719166039	Tribuloside	0.143	0.996	0.000312027365367396	284	595.1514#260.428#[348][M]+#[M+H]+ 594.147
	Scolymoside	0.122
	Isovitexin 2''-O-beta-D-glucoside	0.116
	Saponarin	0.114
	Vitexin 2''-O-beta-D-glucoside	0.11
	Multiflorin B	0.106
	Paniculatin	0.102
	Vicenin-2	0.094
	Isoorientin 2''-O-rhamnoside	0.094
580.205636078126	(+)-Syringaresinol O-beta-D-glucoside	1	0	0.536473832787744	285	603.1898#357.705#[358][M]+#[M+Na]+ 580.206
550.252737145706	Manumycin A	1	0	0.605428214834971	286	568.2803#530.167#[304][M]+#[M+H+NH3]+ 550.253
556.14329575296	Aurasperone D	1	0	0.000223552802659732	287	557.1538#549.386#[285][M]+#[M+H]+ 556.143
610.145158771801	Rutin	0.265	0.956	0.26436028696266	288	633.1316#211.4535#[394][M]+#[M+Na]+ 610.145
	Kaempferol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside	0.19
	Kaempferol 3-O-beta-D-glucosylgalactoside	0.18
	Lucenin-2	0.162
	Multinoside A	0.15
	Gallocatechin-(4alpha->8)-epigallocatechin	0.054
414.194017103569	Naltrindole	0.581	0.706	0.339642951938622	289	415.2005#635.6105#[154][M]+#[M+H]+ 414.194
	Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate	0.055
	Magnoshinin	0.054
	Transferred to D01117	0.054
	Eplerenone	0.054
	Transferred to D01116	0.052
	Transferred to D01119	0.052
	Transferred to D01118	0.05
	Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate	0.048
122.038406709451	4-Hydroxybenzaldehyde	0.201	0.998	0.060515503113947	290	145.0259#183.432#[7][M]+#[M+Na]+ 122.038
	Salicylaldehyde	0.167
	Aromatic acid	0.16
	Tropolone	0.16
	3-Hydroxybenzaldehyde	0.159
	Benzoate	0.152
194.054394550093	5-Hydroxyconiferaldehyde	0.22	0.956	7.78038055009311e-05	291	177.0493#183.894##[M+H-H20]+ 194.054
	6-Hydroxymellein	0.167
	Ferulate	0.152
	Kakuol	0.08
	Isoferulic acid	0.079
	Scytalone	0.078
	Methyl caffeate	0.076
	Dimethyl phthalate	0.075
	2,4,8-Trihydroxy-1-tetralone	0.072
354.109039861614	Hinokinin	0.198	0.969	0.0757989709730045	292	178.0578#183.288##[M+2H]2+ 354.109
	Sesamin	0.19
	Cyclokievitone	0.189
	Luteone	0.184
	Licoisoflavone A	0.182
	S-53482	0.056
390.085922997162	Permethrin	1	0	0.0205189843503164	293	391.0915#183.57#[115][M]+#[M+H]+ 390.086
420.153546366867	2-N,6-N-Bis(2,3-dihydroxy-N-benzoyl)-L-serine	0.15	0.895	0.695131793010926	294	443.1394#162.7715#[180][M]+#[M+Na]+ 420.154
	Pomiferin	0.134
	Morusin	0.128
	Transferred to D01865	0.072
	Transferred to D01867	0.07
	Transferred to D01868	0.07
	Pitavastatin	0.068
	Transferred to D01864	0.066
	Transferred to D01863	0.066
	Transferred to D01866	0.065
	Transferred to D01869	0.064
	Lamioside	0.026
	Isorhapontin	0.008
	Melampodin A	0.006
	Rhaponticin	0.005
	Glycyphyllin	0.004
306.070235498957	(+)-Gallocatechin	0.394	0.992	0.0929763839324398	295	375.0605#208.648#[101][M]+#[M+Na+HCOOH]+ 306.07 [M+Na]+ 352.072
	Leucocyanidin	0.312
	(-)-Epigallocatechin	0.294
352.071737578182	Griseofulvin	0.597	0.805	0.0929763839324398	296	375.0605#208.648#[101][M]+#[M+Na+HCOOH]+ 306.07 [M+Na]+ 352.072
	4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate	0.142
	4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate	0.136
	4-Methylumbelliferone glucuronide	0.126
386.113318450279	1-O-Sinapoyl-beta-D-glucose	0.588	0.978	0.0407893615824095	297	409.0986#208.972#[139][M]+#[M+Na]+ 386.113
	4-O-beta-D-Glucosyl-sinapate	0.412
403.028798370817	Sulfathalidine	0.586	0.71	0.253605704071335	298	426.0201#208.578##[M+Na]+ 403.029
	Fluthiacet-methyl	0.386
	CDP	0.028
564.136319277955	Schaftoside	0.212	0.999	0.00178786264668318	299	565.1425#333.5285#[300][M]+#[M+H]+ 564.136
	Isovitexin 2''-O-arabinoside	0.204
	Glucofrangulin B	0.202
	Apigenin 7-O-[beta-D-apiosyl-(1->2)-beta-D-glucoside]	0.196
	Neoschaftoside	0.187
638.24525613974	Kanokoside C	1	0	0.30061897866605	300	661.2292#333.471#[419][M]+#[M+Na]+ 638.245
492.119172314196	Aurantio-obtusin beta-D-glucoside	1	0	0.277261021738794	301	493.1257#400.2615#[228][M]+#[M+H]+ 492.119
522.200035596965	Isobrucein A	0.504	1	0.00311954581209983	302	545.1858#305.5095#[277][M]+#[M+Na]+ 522.2
	Quassimarin	0.496
344.155882478639	8-Epiiridotrial glucoside	0.505	1	0.894080077985233	303	345.1631#280.6815##[M+H]+ 344.156 [M+H-H20]+ 362.167
	Iridotrial glucoside	0.495
362.167044295597	alpha-xylo-1,6-beta-D-Glucose	0.116	0.987	0.894080077985233	304	345.1631#280.6815##[M+H]+ 344.156 [M+H-H20]+ 362.167
	DU 122290	0.105
	[DNA-directed RNA polymerase]	0.102
	Thyrotropin-releasing hormone	0.102
	Desacetyleupaserrin	0.073
	Gibberellin A19	0.07
	Fastigilin B	0.069
	Gibberellin A36	0.064
	Eupatoriopicrin	0.064
	Enmein	0.062
	Secoisolariciresinol	0.06
	Heliangin	0.06
	Shikodonin	0.054
508.233477630382	Argatroban	0.63	0.951	0.682058937366051	305	547.2016#280.676#[280][M]+#[M+K]+ 508.233 [M+Na]+ 524.214
	PD 123319	0.37
524.214407630382	Mascaroside	1	0	0.682058937366051	306	547.2016#280.676#[280][M]+#[M+K]+ 508.233 [M+Na]+ 524.214
374.075619281514	Diospyrin	0.534	0.997	0.000316748302033432	307	397.0634#156.121#[122][M]+#[M+Na]+ 374.076
	Isodiospyrin	0.466
416.142738611602	1-Acetoxypinoresinol	1	0	0.00521131896270255	308	455.1033#30.4695##[M+K]+ 416.143
482.168137988373	SSR 125543	1	0	0.0369889592440493	309	505.1546#120.501#[239][M]+#[M+Na]+ 482.168
317.287489231697	Phytosphingosine	0.314	0.992	0.757669704905193	310	318.2924#601.7845#[64][M]+#[M+H]+ 317.287
	Templetine	0.234
	(-)-Ormosanine	0.23
	Piptanthine	0.222
564.136698742142	Isovitexin 2''-O-arabinoside	0.215	0.999	0.60131278200299	311	565.1417#257.608#[299][M]+#[M+H]+ 564.137
	Apigenin 7-O-[beta-D-apiosyl-(1->2)-beta-D-glucoside]	0.209
	Neoschaftoside	0.202
	Schaftoside	0.193
	Glucofrangulin B	0.18
740.205390314617	Robinin	1	0	0.379047256073547	312	741.2122#252.0295#[462][M]+#[M+H]+ 740.205
254.113647139846	Transferred to D00714	0.348	0.999	0.108308588394403	313	255.1196#314.506#[34][M]+#[M+H]+ 254.114
	Transferred to D00713	0.34
	Thiamylal	0.312
446.112521796996	Cephamycin C	0.75	0.536	0.462850935291816	314	469.0975#314.829#[206][M]+#[M+Na]+ 446.113
	Biochanin A-beta-D-glucoside	0.068
	Glycitin	0.058
	Trifolirhizin	0.047
	Physcion 8-glucoside	0.04
	Obtusifolin 2-glucoside	0.038
448.093373146504	Isoorientin	0.23	0.954	0.00195171643430214	315	449.0995#315.135##[M+H]+ 448.093
	Luteolin 7-O-beta-D-glucoside	0.146
	Kaempferol 3-O-beta-D-galactoside	0.104
	Astragalin	0.1
	Aureusidin 6-O-glucoside	0.086
	Quercitrin	0.076
	Carthamone	0.073
	Fisetin 8-C-glucoside	0.071
	Orientin	0.063
	Plantaginin	0.05
522.200160210268	Quassimarin	0.503	1	0.43659768583271	316	545.1854#349.4005#[276][M]+#[M+Na]+ 522.2
	Isobrucein A	0.497
414.139422284391	Transferred to D00323	0.212	0.956	0.000480924356618839	317	453.1048#422.074#[187][M]+#[M+K]+ 414.139
	Clavamycin A	0.212
	Transferred to D00322	0.21
	Flecainide	0.208
	Podophyllotoxin	0.083
	Picropodophyllin	0.075
588.138772530802	Kolaflavanone	1	0	0.549756528494373	318	589.1458#421.987##[M+H]+ 588.139
420.153397221468	2-N,6-N-Bis(2,3-dihydroxy-N-benzoyl)-L-serine	0.162	0.894	0.35416265911897	319	443.1409#146.574#[179][M]+#[M+Na]+ 420.153
	Pomiferin	0.142
	Morusin	0.136
	Transferred to D01863	0.068
	Pitavastatin	0.067
	Transferred to D01868	0.067
	Transferred to D01866	0.065
	Transferred to D01864	0.064
	Transferred to D01867	0.061
	Transferred to D01865	0.059
	Transferred to D01869	0.054
	Lamioside	0.018
	Isorhapontin	0.013
	Rhaponticin	0.01
	Glycyphyllin	0.007
	Melampodin A	0.006
548.146889928806	Puerarin xyloside	1	0	0.00955056213795791	320	571.134#377.286##[M+Na]+ 548.147
139.039399046353	N-Monomethyl-2-aminoethylphosphonate	1	0	0.45530714965286	321	162.0297#237.121##[M+Na]+ 139.039
400.146133517784	Dihydroanhydropodorhizol	1	0	0.742436181539903	322	401.1522#249.948#[134][M]+#[M+H]+ 400.146 [M+H-COCH2]+ 442.15
442.150335767814	12-Dehydrotetracycline	0.39	0.989	0.742436181539903	323	401.1522#249.948#[134][M]+#[M+H]+ 400.146 [M+H-COCH2]+ 442.15
	Mallotochromene	0.344
	Methacycline	0.265
726.19271543265	Gomphrenin-V	0.482	0.771	0.412724476962514	324	727.1971#250.244#[457][M]+#[M+H]+ 726.193
	Lampranthin II	0.473
	Amaranthin	0.046
372.097329635781	Ohioensin-A	1	0	0.553434525591718	325	395.0834#201.232##[M+Na]+ 372.097
251.876432430896	gamma-Pentachlorocyclohexene	1	0	0.68418281428719	326	542.7169#27.62#[269][M]+#[2M+K]+ 251.876
421.791543389446	1,2,3,4,6,7,8-Heptachlorodibenzodioxin	1	0	0.84929603928601	327	376.7992#27.6195##[M+H-HCOOH]+ 421.792
608.164470184886	Spinosin	0.342	1	0.0419664619360964	328	609.1719#327.467#[368][M]+#[M+H]+ 608.164
	Physcion 8-gentiobioside	0.332
	Diosmin	0.326
332.103859858047	Tos-Arg-CH2Cl	0.7	0.679	0.848214024853629	329	355.0967#242.657##[M+Na]+ 332.104
	Tos-Lys-CH2Cl	0.105
	O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-	0.099
	Butamifos	0.096
358.117825259224	10-Deoxygeniposidic acid	0.318	0.927	0.705732020592675	330	197.0774#242.6505#[16][M]+#[M+H-C6H10O5]+ 358.118
	Sweroside	0.305
	Tarennoside	0.3
	202-791	0.077
292.110545686708	Coumatetralyl	1	0	0.134166253759783	331	315.0982#100.6055#[60][M]+#[M+Na]+ 292.111
208.14551557779	4-Heptyloxyphenol	1	0	0.59616777530252	332	191.1411#397.218##[M+H-H20]+ 208.146
372.206643773191	(Ac)2-L-Lys-D-Ala-D-Ala	1	0	0.220600289508421	333	395.1938#397.424#[120][M]+#[M+Na]+ 372.207
456.191547855109	Transferred to D00290	0.509	1	0.00362624181412041	334	479.1791#397.1505#[215][M]+#[M+Na]+ 456.192
	Delavirdine	0.49
422.205598932347	Blasticidin S	0.244	0.775	0.0365809069567926	335	445.194#423.176#[182][M]+#[M+Na]+ 422.206
	C3 convertase	0.238
	6alpha-Fluoro-17-hydroxycorticosterone 21-acetate	0.228
	Fludrocortisone acetate	0.22
	1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranoside	0.046
	Picrasin F	0.008
	Isovaltrate	0.008
	Valtratum	0.007
574.125772942484	Luteoskyrin	1	0	0.0013609676328934	336	575.1326#429.6495##[M+H]+ 574.126
608.164709991411	Diosmin	0.346	1	0.00421051712751974	337	609.1714#429.623#[369][M]+#[M+H]+ 608.165
	Spinosin	0.332
	Physcion 8-gentiobioside	0.322
297.262011781004	3-Ketosphingosine	0.344	1	0.0251774554957991	338	298.2694#736.62##[M+H]+ 297.262
	Spiroxamine	0.336
	Cassine	0.32
254.186595982966	Chrysanthetriol	0.261	1	0.013020247133084	339	237.1818#608.831#[29][M]+#[M+H-H20]+ 254.187
	Kikkanol D	0.256
	Kikkanol A	0.244
	Kikkanol F	0.238
462.10858674122	Isoscoparine	0.416	0.881	0.436519120365616	340	463.1135#321.1395#[196][M]+#[M+H]+ 462.109
	Swertiajaponin	0.193
	Tectoridin	0.178
	6-Methoxyluteolin 7-rhamnoside	0.176
	Farnesyl triphosphate	0.037
610.217375349367	Divinylprotochlorophyllide	1	0	0.237214082979418	341	649.181#378.2##[M+K]+ 610.217
373.093747070965	Deacetylcephalosporin C	0.642	0.808	0.00107148446580974	342	374.0987#72.9185#[100][M]+#[M+H]+ 373.094
	DIMBOA-glucoside	0.226
	(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-1,4-	0.132
312.135181127974	4'-Prenyloxyresveratrol	0.23	0.982	0.000393900974666517	343	351.0978#149.255#[84][M]+#[M+K]+ 312.135
	m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid	0.222
	Butylbenzyl phthalate	0.22
	Montanin A	0.218
	Olanzapine	0.11
522.163950825128	Melampodinin	1	0	0.0030001579510226	344	545.1512#149.518#[274][M]+#[M+Na]+ 522.164
292.11026166193	Coumatetralyl	1	0	0.47847647051274	345	331.0742#463.179#[72][M]+#[M+K]+ 292.11
324.136464403149	Glabranin	0.15	1	0.815233597418574	346	347.124#129.955#[83][M]+#[M+Na]+ 324.136
	Phaseollidin	0.147
	(-)-Phaseollinisoflavan	0.146
	Spathelia bischromene	0.143
	Isobavachalcone	0.139
	Glabridin	0.138
	Otobain	0.136
404.122838036939	Sulfinpyrazone	0.718	0.718	0.618626676441001	347	427.1129#129.3185#[161][M]+#[M+Na]+ 404.123
	Scandoside methyl ester	0.15
	Gardenoside	0.132
444.153646673354	Tetracycline	0.511	0.886	0.000177608470354418	348	399.1462#312.623##[M+H-CO2]+ 442.124 [M+H-HCOOH]+ 444.154
	Transferred to D00308	0.176
	Doxycycline	0.17
	Fluticasone	0.144
219.107887851464	Pantothenate	0.271	0.963	0.106914904118232	349	220.1144#94.4715##[M+H]+ 219.108
	N-Phenyl-2-naphthylamine	0.256
	N-Phenyl-1-naphthylamine	0.234
	Zeatin	0.12
	cis-Zeatin	0.118
256.129378474261	Triphenylethylene	1	0	0.0521397496278864	350	239.1254#339.136#[31][M]+#[M+H-H20]+ 256.129
464.0877596974	Quercetin 3-O-glucoside	0.408	0.842	0.207472780542355	351	465.0926#212.5315#[202][M]+#[M+H]+ 464.088
	Quercimeritrin	0.128
	Myricitrin	0.121
	Gossypetin 8-rhamnoside	0.118
	Bracteatin 6-O-glucoside	0.115
	Hyperin	0.108
	11-O-Demethylpradinone I	0.002
267.092137248234	Adenosine	0.24	0.988	0.34789012465172	352	136.059#50.1815##[M+H-C5H8O4]+ 267.092
	Miserotoxin	0.232
	Neuraminic acid	0.221
	Zidovudine	0.156
	Deoxyguanosine	0.152
272.122116816911	Sotalol	1	0	0.00746717635452931	353	295.1106#239.7035#[50][M]+#[M+Na]+ 272.122
564.138968755415	Schaftoside	0.21	0.999	0.258813626946343	354	565.1451#288.258#[301][M]+#[M+H]+ 564.139
	Isovitexin 2''-O-arabinoside	0.209
	Apigenin 7-O-[beta-D-apiosyl-(1->2)-beta-D-glucoside]	0.208
	Glucofrangulin B	0.19
	Neoschaftoside	0.182
268.076243599406	Isoformononetin	0.219	0.923	1.79509931172994e-05	355	137.0435#54.2775##[M+H-C5H8O4]+ 268.076
	Formononetin	0.202
	Dalbergin	0.11
	Tectochrysin	0.104
	1-[6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-yl]ethanone	0.102
	6-Hydroxy-2'-methoxyflavone	0.1
	2(alpha-D-Mannosyl)-D-glycerate	0.081
	Inosine	0.076
	Portulacaxanthin III	0.006
346.117648102761	Miraxanthin-V	0.467	0.677	0.0165356057974391	356	369.1059#53.7885##[M+Na]+ 346.118
	Nifedipine	0.466
	Aucubin	0.036
	Deutzioside	0.032
542.190625467375	Deoxyloganin tetraacetate	0.503	1	0.940297288698844	357	565.1777#136.5145#[302][M]+#[M+Na]+ 542.191
	8-Epideoxyloganin tetraacetate	0.496
592.169811634644	7-O-Methylvitexin 2''-O-beta-L-rhamnoside	0.608	0.966	0.19627721905923	358	615.1584#371.923#[374][M]+#[M+Na]+ 592.17
	1,2-Bis-O-sinapoyl-beta-D-glucoside	0.392
416.105284106418	O-Carbamoyl-deacetylcephalosporin C	0.526	0.765	0.00548474475342742	359	417.1109#469.264#[156][M]+#[M+H]+ 416.105
	Daidzin	0.082
	Trovafloxacin	0.082
	Puerarin	0.075
	Chrysophanol 8-O-beta-D-glucoside	0.074
	Flavonol 7-O-beta-D-glucoside	0.07
	Frangulin A	0.069
	Tenitramine	0.022
562.160810735467	Albanol A	0.444	0.736	0.00446256955188451	360	417.113#437.312##[M+H-C6H10O4]+ 562.161
	Flavonol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside	0.359
	Gambiriin C	0.056
	Gambiriin B2	0.052
	Gambiriin B1	0.045
	Gambiriin B3	0.044
740.207102297832	Robinin	1	0	0.102471864240893	361	579.1614#298.094#[318][M]+#[M+H-C6H10O5]+ 740.207
230.00031346798	DCEBIO	1	0	4.53359277754473e-05	362	268.9618#57.76##[M+K]+ 230
345.099552255409	Hirsutidin	0.498	0.728	0.416205984717883	363	184.0576#57.418##[M+H-C6H10O5]+ 345.1
	Capensinidin	0.474
	2-Descarboxy-betanidin	0.028
376.089881392093	Resistomycin	1	0	0.0640794829965605	364	333.1086#57.839##[M+H-CO2]+ 376.09
431.017572141381	Phosphonoformyl-CMP	1	0	1.52767913874641e-08	365	269.9644#58.059##[M+H-H20]+ 286.968 [M+H-C6H10O5]+ 431.018
538.122429508776	Lithospermic acid	1	0	0.088780672885584	366	539.1297#143.576##[M+H]+ 538.122
518.117775925108	Apigenin 7-(6''-malonylglucoside)	0.514	0.999	0.516676974224816	367	536.1507#52.587#[261][M]+#[M+H+NH3]+ 518.118
	Malonylgenistin	0.486
514.122100767758	MK 571	0.896	0.483	0.162695239654388	368	537.1113#159.0175##[M+Na]+ 514.122
	Cefpirome	0.104
550.195305072132	Genipin 1-beta-gentiobioside	0.654	0.93	0.0104800743441162	369	573.1848#313.25#[308][M]+#[M+Na]+ 550.195
	Eucommin A	0.346
187.082761136295	N-(3-(S)-Hydroxybutyryl)homoserine lactone	0.27	0.999	0.00532105216323475	370	170.0789#45.387##[M+H-H20]+ 187.083
	6-Acetamido-2-oxohexanoate	0.256
	6-Acetamido-3-oxohexanoate	0.246
	N2-Acetyl-L-aminoadipate semialdehyde	0.228
204.02415158366	Oxaloglutarate	0.656	0.929	0.147909242061117	371	227.013#45.701##[M+Na]+ 204.024
	CCCP	0.344
594.14890088957	Scolymoside	0.129	0.993	0.540787189993795	372	595.1556#246.513#[351][M]+#[M+H]+ 594.149
	Isovitexin 2''-O-beta-D-glucoside	0.126
	Isoorientin 2''-O-rhamnoside	0.125
	Multiflorin B	0.118
	Saponarin	0.116
	Paniculatin	0.112
	Vitexin 2''-O-beta-D-glucoside	0.108
	Vicenin-2	0.1
	Tribuloside	0.064
400.146204756343	Dihydroanhydropodorhizol	1	0	0.380410545433555	373	401.1517#291.0065##[M+H]+ 400.146
218.040162949498	cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene	1	0	0.0201823839122506	374	201.0354#47.3305##[M+H-H20]+ 218.04
272.122826032712	Sotalol	1	0	0.00974838951539114	375	295.1114#264.237#[51][M]+#[M+Na]+ 272.123
400.127009756311	Flavonol 3-O-beta-D-glucoside	0.21	0.991	0.723606363898303	376	423.1168#66.9345#[159][M]+#[M+Na]+ 400.127
	Flavonol 3-O-D-galactoside	0.145
	2-[4-(Acetyloxy)phenyl]-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one	0.142
	4'-Demethylpodophyllotoxin	0.128
	Isoflavone 7-O-beta-D-glucoside	0.127
	alpha-Peltatin	0.126
	Flavonol 3-O-D-glycoside	0.124
338.241601925499	14,15-DHET	0.176	1	0.00716989993786266	377	325.2328#672.588##[M+H-CH2]+ 338.242
	8,9-DHET	0.172
	Zoapatanol	0.17
	5,6-DHET	0.166
	Aphidicolin	0.158
	11,12-DHET	0.157
212.032428742195	3-(2-Carboxyethenyl)-cis,cis-muconate	0.511	1	0.0113313880978048	378	174.9897#611.133##[M+Na]+ 152.002 [2M+Na+2K]3+ 212.032
	2-Hydroxy-6-ketononatrienedioate	0.489
318.093034889949	Chlorpromazine	0.222	0.998	0.193698269901108	379	179.0327#140.8##[M+H+K]2+ 318.093
	Transferred to D00272	0.206
	Transferred to D00271	0.202
	8-O-Methyltetrangulol	0.2
	Phenolphthalein	0.171
434.133740877762	8-C-Glucosylnaringenin	0.268	0.999	0.0535090395258775	380	457.1227#84.847##[M+Na]+ 434.134
	2',4,4',6'-Tetrahydroxychalcone 4'-O-glucoside	0.258
	Phlorizin chalcone	0.243
	Naringenin 7-O-beta-D-glucoside	0.232
453.280674687657	Delcosine	1	0	3.67298190084853e-07	381	454.2864#699.356##[M+H]+ 453.281
238.138626980375	Pirimicarb	1	0	0.0551161944318883	382	239.1457#125.576##[M+H]+ 238.139
216.08122387377	Nepodin	0.258	0.999	0.426195241309153	383	355.1083#176.384##[3M+Na+K]2+ 216.081
	Bis(4-hydroxyphenyl)methanol	0.258
	NOP	0.249
	Allenolic acid	0.234
532.13255071702	Trichotomine	0.503	0.893	0.0167027323713378	384	555.1216#65.614##[M+Na]+ 532.133
	Malonylglycitin	0.176
	(-)-Maackiain-3-O-glucosyl-6''-O-malonate	0.167
	Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside)	0.154
442.141252783844	12-Dehydrotetracycline	0.578	0.983	0.896115210894758	385	465.1309#434.903##[M+Na]+ 442.141
	Methacycline	0.422
294.21661259375	13-OxoODE	0.114	0.999	0.0161179155995275	386	295.2232#689.3175##[M+H]+ 294.217
	(9Z)-(13S)-12,13-Epoxyoctadeca-9,11-dienoic acid	0.109
	8-[(1R,2R)-3-Oxo-2-{(Z)-pent-2-enyl}cyclopentyl]octanoate	0.106
	17-Hydroxylinolenic acid	0.102
	9-OxoODE	0.102
	Glycoprotein(non-reducing N- or O-acylneuraminyl residue)	0.1
	8-(5-Hexyl-furan-2-yl)-octanoic acid	0.098
	2(R)-HOT	0.09
	13(S)-HOT	0.09
	9(S)-HOT	0.089
220.08258822575	5-Hydroxy-L-tryptophan	0.363	0.998	0.207765151565657	387	203.0782#62.195##[M+H-H20]+ 220.083
	5-Hydroxytryptophan	0.33
	Jasminine	0.308
462.128182806233	Isoscoparine	0.434	0.942	0.387589497543553	388	485.1174#60.33##[M+K]+ 446.154 [M+Na]+ 462.128 [M+H]+ 484.11
	Tectoridin	0.194
	Swertiajaponin	0.192
	6-Methoxyluteolin 7-rhamnoside	0.18
416.170812210584	Calophyllolide	1	0	0.614739400686539	389	655.2235#369.256##[3M+Na+K]2+ 416.171 [M+Na]+ 632.239
632.238734874679	Bacteriochlorophyllide a	0.509	1	0.614739400686539	390	655.2235#369.256##[3M+Na+K]2+ 416.171 [M+Na]+ 632.239
	3-Hydroxyethylchlorophyllide a	0.49
866.544221320835	Nanchangmycin	1	0	5.85979936129633e-06	391	884.5738#723.723#[489][M]+#[M+H+NH3]+ 866.544
352.132328317177	Estradiol-17beta 3-sulfate	0.346	1	0.0148793875219932	392	375.1184#219.554#[103][M]+#[M+Na]+ 352.132
	8-(1,1-Dimethylallyl)-3-methylgalangin	0.33
	8-(3,3-Dimethylallyl)-3-methylgalangin	0.324
386.183137752612	Burseran	0.506	1	0.805677885791414	393	409.171#219.24#[141][M]+#[M+Na]+ 386.183
	(+)-Eudesmin	0.494
506.225559271961	Limonoate	1	0	0.937210704297251	394	591.193#222.8775##[M+K+HCOOH]+ 506.226 [M+Na+HCOOH]+ 522.199 [M+H+HCOOH]+ 544.182
522.199499271961	Isobrucein A	0.503	1	0.937210704297251	395	591.193#222.8775##[M+K+HCOOH]+ 506.226 [M+Na+HCOOH]+ 522.199 [M+H+HCOOH]+ 544.182
	Quassimarin	0.497
162.090916314151	beta-L-Oleandropyranose	0.504	1	0.00243026532879931	396	563.1967#269.0445##[3M+2K-H]+ 162.091
	beta-Cymaropyranose	0.496
622.275581042171	Allosamidine	0.336	1	0.543865248425505	397	640.309#549.188#[403][M]+#[M+H+NH3]+ 622.276
	Phosphonoacetohydroxamate	0.334
	Phosphoglycolohydroxamate	0.331
312.229500736734	8(R)-HPODE	0.132	0.948	0.0162612314088277	398	335.2182#639.235##[M+Na]+ 312.23
	(7S,8S)-DiHODE	0.129
	9(S)-HPODE	0.128
	(9Z,12Z)-(11S)-11-Hydroperoxyoctadeca-9,12-dienoic acid	0.126
	12,13-Epoxy-9-hydroxy-10-octadecenoate	0.123
	9,10-Epoxy-13-hydroxy-11-octadecenoate	0.122
	(9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoic acid	0.12
	9,10-12,13-Diepoxyoctadecanoate	0.12
	Fruticosonine	0
164.04666449398	Caffeic aldehyde	0.164	0.99	0.0182155924970102	399	165.0526#172.907##[M+H]+ 164.047
	Actinomycin	0.112
	3-Coumaric acid	0.1
	cis-2-Hydroxycinnamate	0.1
	Phenylpyruvate	0.094
	trans-2-Hydroxycinnamate	0.09
	Benzoyl acetate	0.086
	2-Hydroxy-3-phenylpropenoate	0.086
	cis-p-Coumarate	0.086
	4-Coumarate	0.082
342.136482568917	Coniferin	0.973	0.13	0.000116563962932137	400	381.1034#173.105#[108][M]+#[M+K]+ 342.136 [M+Na]+ 358.117
	Phaseollidin hydrate	0.016
	Deoxymiroestrol	0.012
358.117412568917	10-Deoxygeniposidic acid	0.342	0.916	0.000116563962932137	401	381.1034#173.105#[108][M]+#[M+K]+ 342.136 [M+Na]+ 358.117
	Sweroside	0.301
	Tarennoside	0.29
	202-791	0.068
506.134925690714	Streptonigrin	1	0	0.341804910184982	402	529.1225#407.041#[256][M]+#[M+Na]+ 506.135
168.043076872951	3,4-Dihydroxyphenylacetate	0.131	0.99	5.9232683263799e-05	403	272.0554#30.4965##[3M+H+K]2+ 168.043
	(S)-4-Hydroxymandelate	0.084
	4-Hydroxymethylsalicylate	0.076
	Vanillate	0.069
	Homogentisate	0.068
	Orsellinate	0.066
	2-Hydroxy-6-oxoocta-2,4,7-trienoate	0.066
	1,2-Dihydrophthalic acid	0.066
	2,6-Dimethoxybenzoquinone	0.066
	(R)-4-Hydroxymandelate	0.066
	3,4-Dihydroxymandelaldehyde	0.065
	4-Hydroxypheoxyacetate	0.062
	4-Hydroxymandelate	0.058
	2,6-Dihydroxyphenylacetate	0.058
254.114148901466	Transferred to D00714	0.337	1	0.228331289673338	404	237.1099#608.094##[M+H-H20]+ 254.114
	Transferred to D00713	0.335
	Thiamylal	0.328
310.174597894379	Botrydial	0.61	0.64	0.197608492302767	405	311.1816#608.1835##[M+H]+ 310.175
	Sarpagine	0.186
	Cupreine	0.18
	Sinapine	0.016
	Sugar phosphate	0.008
300.08042244243	N1-Amidinostreptamine 6-phosphate	0.43	0.979	0.321059324410884	406	323.0685#150.1505##[M+Na]+ 300.08 [M+H]+ 322.062
	1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol 4-phosphate	0.313
	4-(beta-D-Glucosyloxy)benzoate	0.257
322.062239627125	dTMP	0.616	0.961	0.321059324410884	407	323.0685#150.1505##[M+Na]+ 300.08 [M+H]+ 322.062
	Leucodelphinidin	0.384
362.115327918349	Catalpol	0.524	0.998	0.89941576512431	408	497.1165#95.248##[M+H+CF3COOH]+ 362.115
	Antirrhinoside	0.476
566.216759334903	100-1	1	0	0.730783620014708	409	553.2167#311.2255##[M+H-CH2]+ 566.217
550.199563728958	Eucommin A	0.66	0.924	0.146497380080218	410	589.1644#313.5435##[M+K]+ 550.2
	Genipin 1-beta-gentiobioside	0.34
118.075493084718	L-2,4-Diaminobutanoate	0.49	0.793	0.350917398918758	411	119.0833#635.6105##
	3-Methylamino-L-alanine	0.452
	alpha-Methylstyrene	0.057
126.028765756648	Phloroglucinol	0.158	0.999	0.00165701767701343	412	127.0366#156.099##
	1,2,3-Trihydroxybenzene	0.158
	Benzene-1,2,4-triol	0.14
	Maltol	0.138
	C4b-binding protein	0.137
	Triacetate lactone	0.136
	5-Hydroxymethyl-2-furaldehyde	0.132
146.034271963779	5-N-Methyloxaluric acid	0.382	0.982	0.141844761852163	413	147.0421#218.007##
	3-Oxo-3-ureidopropanoate	0.378
	Coumarin	0.241
150.10127442218	(-)-Carvone	0.048	0.998	0.0974148441626692	414	151.1091#221.438##
	Perillyl aldehyde	0.044
	Carvacrol	0.042
	Safranal	0.041
	2-tert-Butylphenol	0.04
	(+)-Menthofuran	0.038
	Isopiperitenone	0.038
	(+)-Sabinone	0.036
	p-Cumic alcohol	0.036
	Menthofuran	0.036
	4-sec-Butylphenol	0.036
	2-sec-Butylphenol	0.036
	Eucarvone	0.036
	Myrtenal	0.036
	Piperitenone	0.035
	(+)-(S)-Carvone	0.035
	Pinocarvone	0.035
	Verbenone	0.034
	Chrysanthenone	0.034
	4-n-Butylphenol	0.034
	4-Isopropyl-3-methylphenol	0.033
	Transferred to D02297	0.033
	3-tert-Butylphenol	0.033
	(+)-Chrysanthenone	0.03
	Umbellulone	0.03
	(-)-Isopiperitenone	0.03
	Thymol	0.03
	4-tert-Butylphenol	0.029
162.04657305083	Methomyl	0.346	1	0.152680396378056	415	163.0544#33.643##
	Transferred to D01051	0.33
	Tridec-1-ene-3,5,7,9,11-pentayne	0.324
176.027942400596	2-Dehydro-D-glucono-1,5-lactone	0.096	0.999	0.473598916569566	416	177.0358#34.32##
	3-alpha-D-Galactosyl-[lipopolysaccharide glucose]	0.095
	L-xylo-Hexulonolactone	0.086
	(4S,5S)-4,5-Dihydroxy-2,6-dioxohexanoate	0.086
	2-Hydroxy-3-oxoadipate	0.085
	Ascorbate	0.084
	5-Dehydro-4-deoxy-D-glucuronate	0.08
	D-Glucurono-6,2-lactone	0.08
	D-Galacturonolactone	0.078
	D-Glucuronolactone	0.076
	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate	0.076
	Parapyruvate	0.076
208.143236414261	4-Heptyloxyphenol	1	0	0.0724760518942658	417	209.1511#635.585##
240.13331272556	Mirasan	0.73	0.701	0.020130141334171	418	241.1411#453.2435##
	Prolyl-2-naphthylamide	0.148
	LY201116	0.122
254.111940553476	Transferred to D00714	0.341	0.858	0.0271807212638193	419	255.1198#304.746##
	Transferred to D00713	0.318
	Thiamylal	0.316
	10-Hydroxycarbazepine	0.026
284.229647489158	12-(2,3-Dihydroxycyclopentyl)-2-dodecanone	0.336	1	0.123651142460647	420	285.2375#775.9225##
	2-Methoxy-5Z-hexadecenoic acid	0.336
	2-Methoxy-6Z-hexadecenoic acid	0.328
292.160960490286	16-Epivellosimine	0.24	0.854	0.056252489248048	421	293.1688#532.413##
	Cinchonidinone	0.23
	Vellosimine	0.216
	Cinchoninone	0.206
	Trichodermin	0.052
	Gingerdione	0.052
	Heptopyranosides	0.003
295.050990426708	Aminoimidazole ribotide	1	0	0.0214663091598557	422	296.0588#29.851##
309.147301622631	Diacetylaminoazotoluene	0.96	0.24	0.138441892464723	423	310.1551#690.3195##
	SB 218655	0.04
314.168460154218	WIN VI	0.598	0.866	0.00256079521082464	424	315.1763#733.7675##
	Magnocurarine	0.212
	Lotusine	0.19
328.217274833859	2,3-Dinor-8-iso prostaglandin F1alpha	1	0	0.143669307476539	425	329.2251#616.556##
331.205912581531	Megastachine	1	0	0.542208246650147	426	332.2137#640.573##
354.083251272189	(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-	1	0	0.621477950277694	427	355.0911#95.571##
360.149375147396	AL-294	0.266	0.878	0.099537765699419	428	361.1572#316.078##
	LY395153	0.25
	7-Deoxyloganate	0.077
	8-Epideoxyloganic acid	0.068
	Molephantinin	0.054
	Fastigilin C	0.054
	Dibenzo-18-crown-6	0.052
	Euponin	0.048
	Multigilin	0.047
	Triptolide	0.045
	Lariciresinol	0.04
380.057436502091	Tetracenomycin D3	1	0	0.990471476675038	429	381.0653#34.291##
381.063914542942	2-Amino-5-formylamino-6-(5-phosphoribosylamino)pyrimidin-4(3H)-one	0.964	0.226	0.286669679173018	430	382.0717#31.757##
	Metsulfuron methyl	0.036
394.114513914413	9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-3,11-dione	0.898	0.477	0.336149691495828	431	395.1223#179.142##
	Justicidin A	0.102
398.235738752997	Tris(butoxyethyl)phosphate	0.719	0.718	0.458169327818068	432	399.2436#734.6045##
	Pregna-5,16,20-triene-3beta,20-diol diacetate	0.145
	17-Propylestra-1,3,5(10)-triene-3,17beta-diol diacetate	0.136
410.183024880248	Benfuracarb	0.584	0.744	0.625537870953408	433	411.1908#337.1855##
	Flumethasone	0.284
	Mangostin	0.067
	1-Isomangostin	0.066
426.17666569702	Disenecionyl cis-khellactone	0.488	0.744	0.717405192111225	434	427.1845#137.677##
	Archangelicin	0.478
	Abscisic acid glucose ester	0.034
452.121266085769	Cinchonain 1a	1	0	0.000735704103363322	435	453.1291#254.059##
480.15160050901	Blestriarene B	0.734	0.628	0.183530773907774	436	481.1594#378.136##
	Bruceine B	0.095
	Paeoniflorin	0.087
	Isobrucein B	0.084
506.087257410087	Cassiamin C	1	0	0.820778844045875	437	507.0951#776.0115##
531.115402799234	dTDP-beta-L-daunosamine	0.383	0.969	0.247332940317561	438	532.1232#691.255##
	dTDP-3-amino-3,4,6-trideoxy-D-glucose	0.214
	dTDP-2,6-dideoxy-D-kanosamine	0.204
	dTDP-L-ristosamine	0.199
532.119017358952	Malonylglycitin	0.334	1	0.426798582460768	439	533.1268#690.5475##
	(-)-Maackiain-3-O-glucosyl-6''-O-malonate	0.333
	Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside)	0.332
562.148178421665	Gambiriin B1	0.25	0.885	0.0652985100836974	440	563.156#744.548##
	Gambiriin C	0.25
	Gambiriin B2	0.248
	Gambiriin B3	0.243
	Albanol A	0.009
746.406763041988	Avermectin B2a monosaccharide	0.507	1	0.249944031598164	441	747.4146#760.343##
	Avermectin A2b monosaccharide	0.493
958.537993624479	Asiaticoside	1	0	0.000167522678814924	442	959.5458#740.758##
103.095407720362	unknown			0.12501393577053	443	104.1027# 29.8305#[1][M]+#
124.972349023697	unknown			0.308464886617535	444	125.9796# 24.7580#[2][M]+#
142.983816679189	unknown			0.00053629511078146	445	143.9911# 24.7580#[6][M]+#[M+K]+ 105.025
144.018580146933	unknown			0.060515503113947	446	145.0259#183.4320#[7][M]+#[M+Na]+ 122.038
148.01130490774	unknown			0.356686719127301	447	149.0186#751.1890#[9][M]+#[M+H-C4H8]+ 204.076
162.026279783493	unknown			0.453928917074159	448	163.0336#123.3255#[11][M]+#[M+H]+ 162.029
174.138364556183	unknown			0.451491827112552	449	175.1456#243.9095#[13][M]+#[M+H-H20]+ 192.151
190.133047335156	unknown			0.743987971847855	450	191.1403#343.1515#[15][M]+#[M+H]+ 190.134
197.924938159029	unknown			0.00554879115298212	451	198.9322# 24.7515#[17][M]+#[M+H-H20]+ 215.941
213.243665396102	unknown			0.00468607542980548	452	214.2509#571.3940#[23][M]+#
213.902728897342	unknown			3.17628264356884e-07	453	214.9100# 24.7515#[24][M]+#[M+Na]+ 191.923
215.938847195761	unknown			4.45511741915539e-05	454	216.9461# 24.7540#[25][M]+#[M+H]+ 215.941
226.154127069593	unknown			0.889636926482479	455	227.1614#172.2580#[28][M]+#
238.118132979548	unknown			0.0521397496278864	456	239.1254#339.1360#[31][M]+#[M+H-H20]+ 256.129
240.096610204495	unknown			0.462252987689129	457	241.1039#162.7715#[32][M]+#[M+H]+ 240.098
246.884900061297	unknown			0.42091729021234	458	247.8922# 24.7680#[33][M]+#[M+K]+ 208.928
256.964776904267	unknown			0.000220410734970589	459	257.9721# 24.7540#[37][M]+#[M+K]+ 219.007 [M+Na]+ 234.984
270.14403216669	unknown			0.00091814728921058	460	271.1513#733.4165#[38][M]+#
544.126402409374	unknown			0.054805201272023	461	273.0705# 31.4470#[40][M]2+#
283.22543689471	unknown			0.703897083234043	462	284.2327#648.0540#[45][M]+#
284.280257109227	unknown			0.0865164893697776	463	285.2875#547.2165#[46][M]+#
284.319585605841	unknown			0.521498898411591	464	285.3269#678.9600#[47][M]+#
287.275970969293	unknown			0.00109353364255549	465	288.2832#573.9530#[49][M]+#
295.243515573993	unknown			0.146740988597681	466	296.2508#706.3590#[52][M]+#[M+H]+ 295.243
303.286741974415	unknown			0.721873901435637	467	304.2940#631.6190#[55][M]+#
310.058366638934	unknown			0.0371707332815934	468	311.0656# 82.6580#[56][M]+#[M+Na]+ 288.078
311.348976871409	unknown			0.737214291089213	469	312.3563#725.6100#[57][M]+#
312.258114446054	unknown			0.310046754755657	470	313.2654#690.5580#[59][M]+#
315.30762379574	unknown			5.44695344690815e-05	471	316.3149#623.7620#[61][M]+#
315.306353816362	unknown			1.1384835904682e-05	472	316.3136#615.7350#[62][M]+#
319.851506904142	unknown			0.0368355427700799	473	320.8588# 27.2915#[65][M]+#
325.365347422047	unknown			0.510801680487115	474	326.3726#700.3685#[67][M]+#
327.882640444107	unknown			9.44543947944965e-07	475	328.8899# 24.7540#[68][M]+#[M+Na]+ 305.902
331.318407216845	unknown			0.914217487106068	476	332.3257#677.9100#[74][M]+#
343.119983036586	unknown			0.0373014406757313	477	344.1273#172.9230#[80][M]+#
343.30212285998	unknown			0.491862029011533	478	344.3094#631.1125#[81][M]+#
343.859555852554	unknown			6.84660581562468e-08	479	344.8668# 24.7505#[82][M]+#[M+K]+ 305.902
706.169794785675	unknown			0.0670028591596206	480	354.0922# 31.4300#[87][M]2+#[M+H+Na]2+ 684.196
722.148610765742	unknown			0.000519915414193939	481	362.0816# 31.7520#[92][M]2+#[M+H+K]2+ 684.196
371.114097383942	unknown			0.660997545952389	482	372.1214#168.7725#[96][M]+#[M+H+NH3]+ 354.087
371.331036453092	unknown			0.664439615395606	483	372.3383#678.5620#[97][M]+#[M+H]+ 371.333
371.981914982156	unknown			1.35634087516934e-07	484	372.9892# 57.7450#[98][M]+#[M+H-H20]+ 389.994
374.053179531886	unknown			0.0929763839324398	485	375.0605#208.6480#[101][M]+#[M+Na+HCOOH]+ 306.07 [M+Na]+ 352.072
376.06908889528	unknown			0.277819762701878	486	377.0764#123.0400#[104][M]+#[M+Na]+ 354.089
377.06900116696	unknown			0.525152151624454	487	378.0763#168.7620#[105][M]+#
379.315549946355	unknown			0.225518854771476	488	380.3228#686.4710#[107][M]+#
382.263992256227	unknown			0.00102575310804354	489	383.2713#733.2290#[113][M]+#[M+H]+ 382.264
396.131942054221	unknown			0.0395697523586667	490	397.1392#207.6310#[126][M]+#
396.280587140156	unknown			0.159984435693569	491	397.2879#774.1225#[127][M]+#
400.935307582008	unknown			3.08462171361157e-08	492	401.9426# 57.7310#[135][M]+#[M+H]+ 400.936
412.069693940257	unknown			0.0242992997423861	493	413.0770#259.5675#[147][M]+#[M+H-CH3]+ 427.101
426.105606459703	unknown			0.618626676441001	494	427.1129#129.3185#[161][M]+#[M+Na]+ 404.123
868.220271833043	unknown			0.0170820195961974	495	435.1174# 30.8105#[172][M]2+#
436.175790745025	unknown			0.582137265240492	496	437.1831#635.5750#[174][M]+#[M+Na]+ 414.194
440.306015710694	unknown			0.600369892681928	497	441.3133#773.8310#[176][M]+#[M+H]+ 440.307
441.859819380375	unknown			1.32306513551672e-05	498	442.8671# 24.7490#[177][M]+#[3M+Na]+ 139.956
884.197452383128	unknown			2.82581005262017e-07	499	443.1060# 31.1105#[178][M]2+#
442.21841579161	unknown			0.119012460850277	500	443.2257#690.4950#[181][M]+#[M+H]+ 442.22
444.186751322368	unknown			0.0365809069567926	501	445.1940#423.1760#[182][M]+#[M+Na]+ 422.206
457.748590577796	unknown			0.646712334267666	502	458.7559# 27.6190#[192][M]+#
457.837273880352	unknown			3.33076677350164e-09	503	458.8445# 24.7505#[193][M]+#[3M+K]+ 139.956
460.129325705181	unknown			0.00985477517465672	504	461.1366#418.9985#[195][M]+#[M+H]+ 460.13
462.13908553107	unknown			0.279351399293722	505	463.1464#171.4930#[199][M]+#
462.141334566604	unknown			0.29219368887239	506	463.1486#205.5270#[200][M]+#
466.035254198376	unknown			0.781942834543613	507	467.0425#123.3340#[203][M]+#
466.172333029387	unknown			5.95170135397893e-10	508	467.1796#154.3560#[205][M]+#
468.090247055458	unknown			0.462850935291816	509	469.0975#314.8290#[206][M]+#[M+Na]+ 446.113
468.090851142833	unknown			0.00220168292339507	510	469.0981#353.8750#[207][M]+#[M+Na]+ 446.112
468.114511298202	unknown			0.0832993082268965	511	469.1218#109.8600#[208][M]+#
468.116091457107	unknown			0.551268860171271	512	469.1234#235.3925#[209][M]+#
470.163431358229	unknown			0.509955003363969	513	471.1707#262.6200#[210][M]+#[M+Na]+ 448.185
470.31268087231	unknown			0.000635335010839677	514	471.3200#733.5430#[211][M]+#[M+H]+ 470.314
944.611295148647	unknown			2.10332316852302e-06	515	473.3129#722.6715#[213][M]2+#
473.814992659787	unknown			9.2624881098402e-09	516	474.8223# 24.7510#[214][M]+#[M+H-C6H8O6]+ 649.839
478.17179756126	unknown			0.00362624181412041	517	479.1791#397.1505#[215][M]+#[M+Na]+ 456.192
480.052372250512	unknown			0.102703611659337	518	481.0596#183.5225#[217][M]+#[M+Na+NaCOOH]+ 390.086
481.222247371642	unknown			0.0287733688051905	519	482.2295#280.8745#[219][M]+#
485.268849789766	unknown			0.313322660994482	520	486.2761#635.5750#[224][M]+#
487.332254204673	unknown			0.044210223385698	521	488.3395#733.5690#[225][M]+#[M+H+NH3]+ 470.314
490.136744781813	unknown			0.113816853738848	522	491.1440#240.2045#[227][M]+#
492.150310425162	unknown			0.506566891937014	523	493.1576#208.4710#[230][M]+#
492.150301726079	unknown			0.292300403561556	524	493.1576#174.5010#[231][M]+#
492.296142718661	unknown			0.00291532056944233	525	493.3034#733.5275#[232][M]+#[M+Na]+ 470.314
493.185516785972	unknown			0.439822243121585	526	494.1928#278.2550#[234][M]+#
988.636551618776	unknown			2.87048382041633e-06	527	495.3256#721.7310#[235][M]2+#
495.325558282697	unknown			1.88761895913991e-06	528	496.3328#702.3200#[236][M]+#
502.011955605196	unknown			0.757739406096006	529	503.0192#259.7905#[238][M]+#[M+K+CF3COOH]+ 330.067
508.127894906946	unknown			0.483095463871518	530	509.1352#463.1790#[240][M]+#
509.218244284164	unknown			0.00924160197187929	531	510.2255#343.3810#[241][M]+#[M+H+NH3]+ 492.191
510.125615602933	unknown			0.399418000258594	532	511.1329#144.5660#[242][M]+#
512.138973459255	unknown			0.020408323425779	533	513.1462#175.4475#[243][M]+#
514.340976251736	unknown			0.000931609355663721	534	515.3483#732.5870#[246][M]+#[M+H]+ 514.341
1032.66155289008	unknown			3.91957951562105e-06	535	517.3381#720.7055#[247][M]2+#
517.132361176758	unknown			0.765705817987862	536	518.1396#129.6480#[248][M]+#[M+H+NH3]+ 500.109
520.126116861406	unknown			0.0406570881477113	537	521.1334#120.4990#[249][M]+#[M+K]+ 482.168
521.184220748411	unknown			0.30691040134161	538	522.1915# 31.1190#[250][M]+#[M+H+NH3]+ 504.156
522.088424895707	unknown			0.683338866679091	539	523.0957#129.6490#[251][M]+#[M+Na]+ 500.109
1046.25267073335	unknown			5.46856066829804e-06	540	524.1336# 30.7945#[252][M]2+#
526.137507524631	unknown			0.0171649738727133	541	527.1448#515.7135#[255][M]+#
528.11518807243	unknown			0.341804910184982	542	529.1225#407.0410#[256][M]+#[M+Na]+ 506.135
531.016677248777	unknown			0.00595940635912662	543	532.0240#402.3185#[257][M]+#
531.359269424058	unknown			0.584603890459783	544	532.3665#732.9060#[258][M]+#[M+H+NH3]+ 514.341
1064.25031182973	unknown			0.00793713659406681	545	533.1324# 31.4330#[259][M]2+#[3M+H+K]2+ 342.093
535.14346814129	unknown			0.516676974224816	546	536.1507# 52.5870#[261][M]+#[M+H+NH3]+ 518.118
536.323826118136	unknown			0.00130948884620574	547	537.3311#732.5910#[263][M]+#[M+Na]+ 514.341
538.169197867578	unknown			0.0916945322472826	548	539.1765#249.0330#[264][M]+#
538.22978358633	unknown			0.0374344198690193	549	539.2371#381.7590#[265][M]+#
1076.68939224086	unknown			8.04649457042395e-06	550	539.3520#719.6250#[266][M]2+#
539.227108303279	unknown			0.0104357334219967	551	540.2344#305.3890#[267][M]+#[M+H+NH3]+ 522.2
540.098669599253	unknown			0.186025805125532	552	541.1059# 52.5870#[268][M]+#[M+Na]+ 518.118
541.709639223208	unknown			0.68418281428719	553	542.7169# 27.6200#[269][M]+#[2M+K]+ 251.876
542.166301725591	unknown			0.000241284014053322	554	543.1736#302.5210#[272][M]+#[M+Na]+ 520.187
542.294429595011	unknown			0.0368081189785294	555	543.3017#446.5335#[273][M]+#
544.178158048148	unknown			0.43659768583271	556	545.1854#349.4005#[276][M]+#[M+Na]+ 522.2
544.178532663791	unknown			0.00311954581209983	557	545.1858#305.5095#[277][M]+#[M+Na]+ 522.2
544.18175095534	unknown			0.293409503464909	558	545.1890#281.3820#[278][M]+#
546.128928871905	unknown			0.747521822232663	559	547.1362#257.5440#[279][M]+#[M+H-H20]+ 564.137
546.194308959839	unknown			0.682058937366051	560	547.2016#280.6760#[280][M]+#[M+K]+ 508.233 [M+Na]+ 524.214
546.196154981962	unknown			0.745536921338783	561	547.2034#328.9980#[281][M]+#
550.117422280269	unknown			0.572107243287913	562	551.1247#275.0510#[282][M]+#
551.283590789699	unknown			0.653434299204602	563	552.2909#244.2465#[283][M]+#[M+H+NH3]+ 534.255
555.839984805955	unknown			0.000706968398615615	564	556.8473# 24.7500#[284][M]+#[M+Na]+ 533.859
1116.17306144782	unknown			0.805035168878536	565	559.0938#168.7595#[287][M]2+#[3M+Na+K]2+ 352.077
558.159993212857	unknown			0.0253744638550502	566	559.1673#300.2170#[288][M]+#[M+Na]+ 536.179
558.288080059617	unknown			0.0920693900626159	567	559.2954#365.2360#[289][M]+#
558.366433237644	unknown			0.000195868227123697	568	559.3737#731.9300#[290][M]+#
560.141455642403	unknown			0.789799379093485	569	561.1487#281.6780#[291][M]+#
560.141593840806	unknown			0.242689296696457	570	561.1489#364.0740#[292][M]+#[M+K]+ 522.19
560.141210275938	unknown			0.405940410743243	571	561.1485#249.8265#[293][M]+#
560.159274445721	unknown			0.164473943700383	572	561.1666#349.5095#[294][M]+#[M+K]+ 522.2
560.159101176982	unknown			0.0102124638002921	573	561.1664#305.6400#[295][M]+#[M+K]+ 522.2
560.17519728787	unknown			0.00125947813457339	574	561.1825#215.8060#[296][M]+#
1120.71270120361	unknown			6.92326683537914e-07	575	561.3636#718.7805#[297][M]2+#
571.816051044972	unknown			2.59390362078449e-07	576	572.8233# 24.7495#[305][M]+#[M+K]+ 533.859
572.103178287874	unknown			0.0502810209253921	577	573.1105#275.1065#[306][M]+#
572.142207896891	unknown			0.0387674862931013	578	573.1495#353.1805#[307][M]+#[M+Na]+ 550.162
572.177513103518	unknown			0.0104800743441162	579	573.1848#313.2500#[308][M]+#[M+Na]+ 550.195
572.177637813409	unknown			0.433926658807723	580	573.1849#359.8655#[309][M]+#
572.213852545736	unknown			0.258668423582596	581	573.2211#243.9495#[310][M]+#[M+K]+ 534.255
572.228447271386	unknown			0.454330447581398	582	573.2357#172.2190#[311][M]+#[M+Na]+ 550.251
572.233273466069	unknown			0.168497164362897	583	573.2405#530.1670#[312][M]+#[M+Na]+ 550.253
574.156007081309	unknown			0.398607558486086	584	575.1633#176.2825#[313][M]+#
574.163061119216	unknown			0.981389039378141	585	575.1703#346.0905#[314][M]+#
574.18744209274	unknown			0.180513171396549	586	575.1947#316.0870#[315][M]+#[M+Na]+ 552.209
575.385241195312	unknown			0.0241759660230916	587	576.3925#732.2860#[316][M]+#
584.142147373186	unknown			0.000643964121150198	588	585.1494#437.0320#[322][M]+#[M+Na]+ 562.161
584.162888553719	unknown			0.0165534478252372	589	585.1702#213.8840#[323][M]+#[M+H]+ 584.163
1754.06844363046	unknown			0.718237180527041	590	585.6968#707.5320#[324][M]3+#
1170.09036650055	unknown			0.754245790606427	591	586.0525#168.7630#[325][M]2+#[3M+3K-H]2+ 352.077
586.051406477472	unknown			0.0299133832387519	592	587.0587#362.1660#[327][M]+#
586.118243009981	unknown			0.603539178491577	593	587.1255#257.6045#[328][M]+#[M+Na]+ 564.137
586.119938829383	unknown			0.00326754971896781	594	587.1272#333.6590#[329][M]+#[M+Na]+ 564.136
586.121004837529	unknown			0.72764495061529	595	587.1283#288.2580#[330][M]+#[M+Na]+ 564.139
587.793107170711	unknown			3.64203445180067e-09	596	588.8004# 24.7490#[332][M]+#[M+Na]+ 565.814
589.405614247895	unknown			0.427955223819164	597	590.4129#771.3010#[335][M]+#
590.150029554219	unknown			0.169171814021863	598	591.1573#262.0200#[336][M]+#
590.16765067248	unknown			0.0665977796825294	599	591.1749#315.7790#[337][M]+#[M+K]+ 552.209
590.179674913801	unknown			0.634600490784808	600	591.1870#275.9990#[338][M]+#[M+Na]+ 568.203
590.182690088874	unknown			0.219458178975915	601	591.1900#324.9250#[339][M]+#
590.18344806291	unknown			0.0167668897569775	602	591.1907#303.7790#[340][M]+#
590.185740047043	unknown			0.955391341519334	603	591.1930#183.5540#[341][M]+#[M+H-C5H8O4]+ 722.219
590.183141695169	unknown			0.279590164046591	604	591.1904#252.4630#[342][M]+#
590.244270965272	unknown			0.757751881388704	605	591.2515#140.3305#[343][M]+#
592.201294570074	unknown			0.00418318113000105	606	593.2086#312.2680#[345][M]+#
592.201738825198	unknown			0.0014722508212186	607	593.2090#333.8325#[346][M]+#
592.201669770192	unknown			0.0568031698678713	608	593.2089#235.7125#[347][M]+#
597.232311422133	unknown			0.709512613265632	609	598.2396#357.8125#[353][M]+#[M+H+NH3]+ 580.206
1799.10366245625	unknown			0.188650165725703	610	600.7085#706.6760#[354][M]3+#
600.133176474763	unknown			0.00184793350035739	611	601.1405#401.9380#[355][M]+#
600.136527599347	unknown			0.0777592148091584	612	601.1438#298.0860#[356][M]+#
602.112271583063	unknown			0.520009413983387	613	603.1195#244.2360#[357][M]+#[M+Na]+ 580.131
602.182497481311	unknown			0.536473832787744	614	603.1898#357.7050#[358][M]+#[M+Na]+ 580.206
602.393813748987	unknown			5.32299713715823e-05	615	603.4011#730.6440#[359][M]+#[M+H]+ 602.395
604.168202758399	unknown			0.218600308766854	616	605.1755#340.0335#[360][M]+#
604.167925790815	unknown			0.0769086407176336	617	605.1752#353.3550#[361][M]+#[M+H+HCOOH]+ 558.156
604.187799165759	unknown			0.895631594809314	618	605.1951#313.5020#[362][M]+#
604.201368110697	unknown			0.894647727095764	619	605.2086#292.0810#[363][M]+#
604.200067503326	unknown			0.521191979422893	620	605.2073#217.0670#[364][M]+#
606.161907208222	unknown			0.315742029836827	621	607.1692#276.0900#[365][M]+#[M+K]+ 568.203
606.18141367668	unknown			0.452380228915597	622	607.1887#239.1710#[366][M]+#
606.197827372586	unknown			0.0131800452100161	623	607.2051#449.7380#[367][M]+#
608.196861876669	unknown			0.787266084329065	624	609.2041#212.9975#[370][M]+#
614.040771148408	unknown			0.159814645726879	625	615.0480#706.0355#[373][M]+#[M+K]+ 576.083
616.128617246817	unknown			0.00219334442218244	626	617.1359#260.4170#[375][M]+#[M+Na]+ 594.147
616.131731035712	unknown			0.198176693470511	627	617.1390#246.6900#[376][M]+#[M+Na]+ 594.149
616.132014450825	unknown			0.453797946595529	628	617.1393#295.4720#[377][M]+#[M+Na]+ 594.15
616.157478236885	unknown			0.60802897867414	629	617.1648#401.0690#[378][M]+#
618.164175173944	unknown			0.619703203630596	630	619.1715#357.7100#[379][M]+#[M+K]+ 580.206
620.187967705771	unknown			0.541378516195565	631	621.1952#317.9970#[380][M]+#
620.192920465322	unknown			0.560685895647088	632	621.2002#295.4000#[381][M]+#
620.193319183138	unknown			0.880641210537282	633	621.2006#204.9780#[382][M]+#[M+Na]+ 598.215
620.197003007925	unknown			0.534910643098305	634	621.2043#127.7285#[383][M]+#
622.145335736826	unknown			0.455268314854672	635	623.1526#362.4990#[384][M]+#
622.209320327552	unknown			0.860361197088211	636	623.2166#327.0905#[385][M]+#
622.210935655025	unknown			0.129436616786934	637	623.2182#283.8690#[386][M]+#
624.378174732453	unknown			0.000143629067845819	638	625.3855#730.6640#[389][M]+#[M+Na]+ 602.395
630.165183535929	unknown			0.989028885259982	639	631.1725#124.2740#[393][M]+#
632.124319935245	unknown			0.26436028696266	640	633.1316#211.4535#[394][M]+#[M+Na]+ 610.145
632.194342883133	unknown			0.114520705289638	641	633.2016#378.1915#[395][M]+#
633.431185188742	unknown			0.575218884143546	642	634.4385#770.0310#[396][M]+#
634.176779298373	unknown			0.926470973861036	643	635.1841#310.1090#[397][M]+#[M+Na]+ 612.2
638.170154615958	unknown			0.637346921659652	644	639.1774#377.1185#[399][M]+#
638.169963829901	unknown			0.0792330238926318	645	639.1772#360.0190#[400][M]+#[M+H]+ 638.173
638.18914146347	unknown			0.658386346707448	646	639.1964#349.1965#[401][M]+#
638.204993754539	unknown			0.854348216088687	647	639.2123#207.7500#[402][M]+#
641.236442655033	unknown			0.504010098468679	648	642.2437#345.1665#[404][M]+#
641.256811387082	unknown			0.478249306538938	649	642.2641#202.0710#[405][M]+#
1930.17775331613	unknown			0.236033097688998	650	644.3999#704.7720#[406][M]3+#
644.182008877177	unknown			0.0300311642533582	651	645.1893#151.7500#[407][M]+#
646.17716272174	unknown			0.20937069242075	652	647.1844#242.0310#[408][M]+#
653.149491926746	unknown			0.503550433665765	653	654.1568#364.9820#[409][M]+#
654.202373118805	unknown			0.0357414829242315	654	655.2096#129.6910#[411][M]+#
654.203549367367	unknown			0.0726724978910571	655	655.2108#153.3190#[412][M]+#
655.23636332013	unknown			0.88171841260984	656	656.2436#233.0100#[413][M]+#
655.271526416669	unknown			0.125820307470693	657	656.2788#333.4760#[414][M]+#[M+H+NH3]+ 638.245
658.17831747265	unknown			0.391546822908055	658	659.1856#422.1140#[415][M]+#
658.180171456848	unknown			0.464508378814962	659	659.1874#407.0160#[416][M]+#[M+H]+ 658.181
660.15685074824	unknown			0.0991224858921573	660	661.1641#360.1650#[417][M]+#[M+Na]+ 638.173
660.175081516977	unknown			0.0405497011303038	661	661.1824#115.8400#[418][M]+#[M+Na]+ 638.195
660.226473624829	unknown			0.177900947532744	662	661.2337#349.3800#[420][M]+#
663.43977117421	unknown			0.000253766117854326	663	664.4470#729.7450#[421][M]+#
666.167329827066	unknown			0.0892755864518449	664	667.1746#394.3730#[422][M]+#
668.40303435512	unknown			1.72869874153214e-05	665	669.4103#729.2040#[424][M]+#
670.17852753283	unknown			0.609389373537731	666	671.1858#451.6515#[425][M]+#[M+H-H20]+ 688.187
670.17818248124	unknown			0.0396378426722737	667	671.1855# 51.1230#[426][M]+#[M+Na]+ 648.198
670.178377754815	unknown			0.336283220035405	668	671.1857#344.5200#[427][M]+#
676.206555126374	unknown			0.138087412384681	669	677.2138#333.4825#[428][M]+#[M+K]+ 638.245
677.457887193391	unknown			0.648223014597846	670	678.4652#768.7440#[429][M]+#
680.162306824331	unknown			0.185991555771764	671	681.1696#448.7750#[430][M]+#
680.16413487832	unknown			0.406088725096729	672	681.1714#407.0400#[431][M]+#[M+Na]+ 658.181
684.226805024412	unknown			0.733772639241707	673	685.2341#391.1900#[433][M]+#
685.260094625258	unknown			0.837365182644714	674	686.2674#367.3250#[434][M]+#
2062.26023891526	unknown			0.644727625099979	675	688.4274#702.8755#[435][M]3+#
688.181990974042	unknown			0.784414329896172	676	689.1893#413.5940#[436][M]+#[M+H]+ 688.185
688.183976908672	unknown			0.0729396524311929	677	689.1913#428.1060#[437][M]+#
688.223410772167	unknown			0.927916099048671	678	689.2307#293.9550#[438][M]+#
695.325726904111	unknown			0.864422611471764	679	696.3330#295.2090#[439][M]+#[M+H+NH3]+ 678.298
698.264637820738	unknown			0.00896297120159195	680	699.2719#290.7860#[441][M]+#
2106.27666516725	unknown			0.197612601220738	681	703.0995#702.1705#[443][M]3+#
704.163380050654	unknown			0.279769632091478	682	705.1707# 30.4780#[444][M]+#
706.231701706525	unknown			0.000126036380863059	683	707.2390#263.6205#[445][M]+#
707.198514681859	unknown			0.0288684188582704	684	708.2058#303.4250#[446][M]+#[M+H+NH3]+ 690.172
708.179443146148	unknown			0.0238665725190221	685	709.1867#469.3290#[447][M]+#
708.179619670575	unknown			5.09891695754661e-07	686	709.1869#449.3520#[448][M]+#
708.467941978497	unknown			2.69760819624487e-05	687	709.4752#728.4670#[449][M]+#
710.164470638392	unknown			0.965221873252795	688	711.1717#452.9335#[450][M]+#[M+Na]+ 688.187
710.17052898178	unknown			0.663774288048965	689	711.1778#413.5940#[451][M]+#[M+Na]+ 688.185
716.274664180047	unknown			0.206536627513592	690	717.2819#234.7350#[452][M]+#
718.201523382326	unknown			0.0355973319829888	691	719.2088#408.9080#[453][M]+#[M+H]+ 718.201
718.201151731751	unknown			0.040842121573601	692	719.2084#424.2170#[454][M]+#[M+H]+ 718.202
721.485366546315	unknown			0.637544658036536	693	722.4926#767.4020#[455][M]+#
725.203341095111	unknown			0.986783410164325	694	726.2106#138.7300#[456][M]+#
730.157367572695	unknown			0.636386371566322	695	731.1646#168.7570#[458][M]+#[2M+Na]+ 354.087
2194.33788350499	unknown			0.18282771595113	696	732.4532#700.7890#[459][M]3+#
746.093948592243	unknown			0.871103598589337	697	747.1012#364.9910#[464][M]+#
751.504523468843	unknown			0.000145254205895506	698	752.5118#727.5520#[467][M]+#
754.225425554877	unknown			0.796927924558997	699	755.2327#330.3310#[468][M]+#[M+H]+ 754.225
762.092408601979	unknown			0.90758449420776	700	763.0997#168.7500#[469][M]+#
762.096848524711	unknown			0.597225603887767	701	763.1041#123.0290#[470][M]+#[2M+Na]+ 370.053
762.188083835217	unknown			0.775082072765968	702	763.1954#251.8450#[471][M]+#[M+Na]+ 740.205
762.190170972166	unknown			0.76881486762101	703	763.1974#297.7820#[472][M]+#[M+Na]+ 740.207
764.234460293198	unknown			0.713852097288034	704	765.2417#274.4205#[473][M]+#
790.128638349426	unknown			0.0434050562352559	705	791.1359#183.4455#[475][M]+#
796.518523102375	unknown			1.12910484251216e-05	706	797.5258#725.8305#[476][M]+#
798.190124334232	unknown			0.92908318168732	707	799.1974#385.6060#[477][M]+#
839.537313682636	unknown			4.26499354033716e-06	708	840.5446#724.6930#[481][M]+#[M+H+NH3]+ 822.521
842.208500904537	unknown			0.253609553356505	709	843.2158#504.6140#[482][M]+#[M+Na]+ 820.23
846.28067641393	unknown			0.772965957273598	710	847.2880#315.1020#[483][M]+#
1693.05059479917	unknown			0.967533609731447	711	847.5326#708.2165#[484][M]2+#
848.365541776995	unknown			0.26472504103965	712	849.3728#462.2070#[485][M]+#
866.235288424639	unknown			0.0754230176083284	713	867.2426#228.9410#[486][M]+#
872.223939864082	unknown			0.252195128918212	714	873.2312#360.8740#[487][M]+#[M+Na]+ 850.244
879.265507270511	unknown			0.0016081453899548	715	880.2728#549.5940#[488][M]+#[M+H+NH3]+ 862.237
883.566484809149	unknown			5.85979936129633e-06	716	884.5738#723.7230#[489][M]+#[M+H+NH3]+ 866.544
884.213428327595	unknown			0.149197777138892	717	885.2207#549.2840#[490][M]+#[M+Na]+ 862.237
900.196824206076	unknown			0.286217796097456	718	901.2041#549.2965#[491][M]+#[M+K]+ 862.237
918.167303132021	unknown			0.0679621421310095	719	919.1746#259.5470#[494][M]+#[M+Na]+ 896.184
927.592932075768	unknown			6.3006393808962e-06	720	928.6002#722.7215#[495][M]+#
949.096390454254	unknown			0.0405601252514767	721	950.1037#259.5610#[496][M]+#
1915.17628647725	unknown			0.318411253597721	722	958.5954#704.6100#[497][M]2+#
971.621232250139	unknown			7.25188185413117e-06	723	972.6285#721.7150#[498][M]+#
1004.26601062536	unknown			0.237162932156199	724	1005.2733#431.7295#[499][M]+#
1015.6494167336	unknown			1.15656665120589e-05	725	1016.6567#720.6045#[500][M]+#[M+H]+ 1015.65
2045.25095548338	unknown			0.125878949313435	726	1023.6328#702.5655#[501][M]2+#
1046.27453471075	unknown			0.0175700125497538	727	1047.2818#479.9540#[502][M]+#[M+Na]+ 1024.29
1059.67725749033	unknown			1.25706261200342e-05	728	1060.6845#719.6280#[503][M]+#[M+H]+ 1059.67
1086.2220661364	unknown			0.856280867528163	729	1087.2293#168.7570#[504][M]+#
1115.17659646353	unknown			0.977749747525547	730	1116.1839#168.7570#[505][M]+#[2M+Na]+ 546.593 [M+H]+ 1115.18
1137.16097678397	unknown			0.594017138791627	731	1138.1683#168.7600#[506][M]+#[2M+2Na-H]+ 546.593 [M+Na]+ 1115.18
4019.15202896587	unknown			0.901731301407802	732	1340.7246#658.2310#[507][M]3+#
4037.15924793891	unknown			0.65079405332617	733	1346.7270#643.2520#[508][M]3+#
1397.19740949868	unknown			0.00584388188374652	734	1398.2047#259.5320#[509][M]+#[M+H]+ 1397.19
295.243075884742	unknown			0.0509037140062061	735	318.2309#706.3565#[63][M]+#[M+Na]+ 295.243
576.082865210871	unknown			0.159814645726879	736	615.0480#706.0355#[373][M]+#[M+K]+ 576.083
634.78456964361	unknown			0.196295848302741	737	673.7503#703.2865##[M+K]+ 634.785
635.118515960617	unknown			0.41054965319772	738	674.0839#703.3270##[M+K]+ 635.119
442.219775326402	unknown			0.119012460850277	739	443.2257#690.4950#[181][M]+#[M+H]+ 442.22
662.51959240211	unknown			0.169633713857314	740	709.5297#690.4880##[M+H+HCOOH]+ 662.52
713.458665381913	unknown			0.835379270168662	741	714.4669#690.6110##[M+H]+ 713.459
125.0628500855	unknown			0.934262766470104	742	289.0844# 32.0680##[2M+K]+ 125.063
274.98262469193	unknown			0.279774581339612	743	275.9892# 31.7570##[M+H]+ 274.983 [M+H-H20]+ 292.993
292.993204846947	unknown			0.279774581339612	744	275.9892# 31.7570##[M+H]+ 274.983 [M+H-H20]+ 292.993
348.077994501522	unknown			0.408181883849372	745	335.0667# 31.1100##[M+H-CH2]+ 348.078
400.165633750405	unknown			0.673514508364629	746	180.0832# 31.7730##[M+H]+ 179.078 [M+2H-COCH2]2+ 400.166
557.070337064919	unknown			0.482396109801697	747	396.0260# 31.1060##[M+H-C6H10O5]+ 557.07
558.078778463736	unknown			0.941254034994451	748	397.0352# 33.5095##[M+H-C6H10O5]+ 558.079
684.217323051511	unknown			0.929331814329554	749	702.2524# 32.0720##[M+H+NH3]+ 684.217
684.195773008869	unknown			0.000519915414193939	750	362.0816# 31.7520#[92][M]2+#[M+H+K]2+ 684.196
738.135264373221	unknown			0.367972579286064	751	739.1463# 31.9010##[M+H]+ 738.135
171.124378172784	unknown			0.0349703627515785	752	144.0987# 34.5670##[M+H]+ 143.091 [M+H-C2H4]+ 171.124
382.264249379363	unknown			0.00102575310804354	753	383.2713#733.2290#[113][M]+#[M+H]+ 382.264
470.313723727788	unknown			0.044210223385698	754	488.3395#733.5690#[225][M]+#[M+H+NH3]+ 470.314
514.341182072032	unknown			0.584603890459783	755	532.3665#732.9060#[258][M]+#[M+H+NH3]+ 514.341
380.321041154452	unknown			0.0029619630634421	756	381.3274#767.8445##[M+H]+ 380.321
240.262401674546	unknown			0.0972515426234388	757	296.2506#696.5625##[M+K+NH3]+ 240.262 [M+Na+NH3]+ 256.236 [M+H+NH3]+ 278.218
602.395198453393	unknown			0.000143629067845819	758	625.3855#730.6640#[389][M]+#[M+Na]+ 602.395
264.241538205788	unknown			0.205968971498184	759	265.2472#664.6010##[M+H]+ 264.242 [M+H-H20]+ 282.263
512.108046123762	unknown			0.0112599412246763	760	169.0471# 61.5740##[M+2H-C6H8O6]2+ 512.108
371.3326045646	unknown			0.664439615395606	761	372.3383#678.5620#[97][M]+#[M+H]+ 371.333
688.18665365371	unknown			0.965221873252795	762	711.1717#452.9335#[450][M]+#[M+Na]+ 688.187
546.592534297687	unknown			0.977749747525547	763	1116.1839#168.7570#[505][M]+#[2M+Na]+ 546.593 [M+H]+ 1115.18
717.11022352754	unknown			0.784090972232017	764	762.0934#168.7595##[M+2Na-H]+ 717.11
1091.19422871309	unknown			0.91697136780196	765	761.0989#168.7650##[2M+Na+2K]3+ 1091.19
1102.20154488025	unknown			0.811394072131634	766	552.1111#168.7615##[M+2H]2+ 1102.2
1115.17757179171	unknown			0.977749747525547	767	1116.1839#168.7570#[505][M]+#[2M+Na]+ 546.593 [M+H]+ 1115.18
1169.09717935924	unknown			0.797644602470729	768	1170.1090#168.6925##[2M+2K-H]+ 546.593 [M+H]+ 1169.1
531.016884045262	unknown			0.334243838238955	769	504.0331#302.7120##[M+H-CO]+ 531.017
690.171657564616	unknown			0.0209870601968274	770	691.1782#303.3610##[M+H]+ 690.172
896.130646937561	unknown			0.768337412269093	771	487.0244#302.4330##[M+2K]2+ 896.131
427.101070532507	unknown			0.602043857241334	772	450.0941#259.7705#[186][M]+#[M+Na]+ 427.101
472.079355828643	unknown			0.88820105163886	773	431.0837#259.8250#[167][M]+#[M+H-COCH2]+ 472.079
501.004597587953	unknown			0.984442807819014	774	502.0117#259.7825##[M+K]+ 463.049 [M+Na]+ 479.023 [M+H]+ 501.005 [M+H-HCOOH]+ 547.012
547.011824895155	unknown			0.984442807819014	775	502.0117#259.7825##[M+K]+ 463.049 [M+Na]+ 479.023 [M+H]+ 501.005 [M+H-HCOOH]+ 547.012
896.183536819392	unknown			0.0617724303758931	776	471.0772#259.5275##[M+2Na]2+ 896.184
1390.21972499097	unknown			0.0611897137960051	777	955.1189#259.5675##[2M+2Na+K]3+ 1390.22
1397.19494324463	unknown			0.00584388188374652	778	1398.2047#259.5320#[509][M]+#[M+H]+ 1397.19
376.125244183753	unknown			0.274655408123571	779	399.1098# 74.4960#[128][M]+#[M+Na]+ 376.125
425.010986816522	unknown			0.813686650882117	780	426.0187# 74.4945##[M+H]+ 425.011
538.190510865417	unknown			0.0525340971776231	781	561.1770#256.6160##[M+Na]+ 538.191
822.521424593799	unknown			4.26499354033716e-06	782	840.5446#724.6930#[481][M]+#[M+H+NH3]+ 822.521
190.134367572052	unknown			0.743987971847855	783	191.1403#343.1515#[15][M]+#[M+H]+ 190.134
363.172347181112	unknown			0.819368710611406	784	419.1618#275.0695##[M+K+NH3]+ 363.172
396.12299874836	unknown			0.633480984320826	785	435.0862#276.8575##[M+K]+ 396.123
568.203455101169	unknown			0.634600490784808	786	591.1870#275.9990#[338][M]+#[M+Na]+ 568.203
476.127069501334	unknown			0.706291941847524	787	499.1166#317.9870##[M+Na]+ 476.127
105.024596957555	unknown			0.427194428385567	788	128.0122# 24.7530##[M+Na]+ 105.025
124.037639613948	unknown			0.0625308278997569	789	111.0084# 25.0750##[2M+2Na+K]3+ 124.038
139.955576561527	unknown			3.33076677350164e-09	790	458.8445# 24.7505#[193][M]+#[3M+K]+ 139.956
190.924351936982	unknown			0.401731372393361	791	229.8892# 24.9515##[M+K]+ 190.924
191.922690776592	unknown			3.17628264356884e-07	792	214.9100# 24.7515#[24][M]+#[M+Na]+ 191.923
208.927733679992	unknown			0.42091729021234	793	247.8922# 24.7680#[33][M]+#[M+K]+ 208.928
215.940864296774	unknown			0.00554879115298212	794	198.9322# 24.7515#[17][M]+#[M+H-H20]+ 215.941
219.006504671157	unknown			0.0887430017708697	795	241.9933# 24.7520##[M+Na]+ 219.007
234.984197037796	unknown			0.000220410734970589	796	257.9721# 24.7540#[37][M]+#[M+K]+ 219.007 [M+Na]+ 234.984
237.015232917569	unknown			0.0859609476524761	797	112.0045# 25.0760##[M+2H-CH3]2+ 237.015
241.99109553642	unknown			0.12941501680328	798	242.9971# 24.7540##[M+H]+ 241.991 [M+H]+ 241.991
269.920300378035	unknown			0.229565063654193	799	270.9289# 24.7550##[M+H]+ 269.92
275.954407897266	unknown			0.00135334723139735	800	234.9558# 25.0720##[M+H-COCH2]+ 275.954
320.878937576099	unknown			0.353093672043459	801	343.8658# 24.7520##[M+Na]+ 320.879
359.932009549124	unknown			0.0101508885580541	802	398.8964# 24.7500##[M+K]+ 359.932
390.87895486914	unknown			0.0202693235097193	803	429.8425# 24.7540##[M+K]+ 390.879
533.859105925464	unknown			2.59390362078449e-07	804	572.8233# 24.7495#[305][M]+#[M+K]+ 533.859
565.814334911815	unknown			3.64203445180067e-09	805	588.8004# 24.7490#[332][M]+#[M+Na]+ 565.814
649.83932938986	unknown			9.2624881098402e-09	806	474.8223# 24.7510#[214][M]+#[M+H-C6H8O6]+ 649.839
679.793399523074	unknown			5.53835672878478e-08	807	702.7800# 24.7455##[M+Na]+ 679.793
370.053000557971	unknown			0.276463878801068	808	409.0127#123.0270##[M+K]+ 370.053
406.999130928916	unknown			0.386113460440896	809	408.0056#123.0250##[M+H]+ 406.999
761.090118864086	unknown			0.490034429204404	810	762.0967#123.0270##[M+H]+ 761.09
678.298164793565	unknown			0.735802553581765	811	701.2869#295.2170#[442][M]+#[M+Na]+ 678.298
322.10431557912	unknown			0.00376652106992648	812	177.0535#549.3220##[M+H-C6H10O4]+ 322.104 [M+3H-CO]3+ 556.143
862.236762867571	unknown			0.149197777138892	813	885.2207#549.2840#[490][M]+#[M+Na]+ 862.237
778.501778782964	unknown			5.68847300153053e-06	814	801.4882#725.8990#[478][M]+#[M+Na]+ 778.502
684.24427396	unknown			0.440086354841438	815	723.2005#210.9910##[M+K]+ 684.244
467.023047671559	unknown			0.0963685185917276	816	422.0234#183.6080##[M+H-HCOOH]+ 467.023
722.218913282928	unknown			0.955391341519334	817	591.1930#183.5540#[341][M]+#[M+H-C5H8O4]+ 722.219
460.130293902199	unknown			0.00653770067396731	818	433.1030#419.1020#[169][M]+#[M+H-C2H4]+ 460.13
240.098057670724	unknown			0.462252987689129	819	241.1039#162.7715#[32][M]+#[M+H]+ 240.098
331.093893183679	unknown			0.152557572055719	820	408.0066#208.6480##[M+2K-H]+ 331.094
686.229235307747	unknown			0.3391691314467	821	541.1801#333.4990##[M+H-C6H10O4]+ 686.229
324.080792622879	unknown			0.227162147885722	822	325.0860#153.8125##[M+H]+ 324.081
476.143487765628	unknown			0.0509423203526405	823	499.1281#153.9410#[237][M]+#[M+Na]+ 476.143
190.134912341979	unknown			0.934331639360759	824	191.1409#172.1700##[M+H]+ 190.135
550.251042261551	unknown			0.454330447581398	825	573.2357#172.2190#[311][M]+#[M+Na]+ 550.251
688.184629377137	unknown			0.784414329896172	826	689.1893#413.5940#[436][M]+#[M+H]+ 688.185
342.281919503835	unknown			0.213965429182271	827	365.2700#562.7725##[M+Na]+ 342.282
552.20863438261	unknown			0.180513171396549	828	575.1947#316.0870#[315][M]+#[M+Na]+ 552.209
161.076519708478	unknown			0.316990813207209	829	184.0697# 30.4830##[M+Na]+ 161.077
638.17284726647	unknown			0.0792330238926318	830	639.1772#360.0190#[400][M]+#[M+H]+ 638.173
288.078260633112	unknown			0.0371707332815934	831	311.0656# 82.6580#[56][M]+#[M+Na]+ 288.078
598.214835626338	unknown			0.880641210537282	832	621.2006#204.9780#[382][M]+#[M+Na]+ 598.215
380.066338111836	unknown			0.280934312678158	833	381.0736#237.0530##[M+H]+ 380.066
598.213502962287	unknown			0.662575945216014	834	621.2011#250.2455##[M+Na]+ 598.214
335.83724626454	unknown			0.797714445812409	835	374.7991# 27.6210##[M+K]+ 335.837
507.755522623471	unknown			0.820825243773847	836	292.8389# 27.6210##[M+2K]2+ 507.756
587.708287917299	unknown			2.6361384842577e-05	837	588.7165# 27.2930##[M+H]+ 587.708
689.650163199186	unknown			0.857284351749428	838	796.6008# 27.6200##[M+K+NaCOOH]+ 689.65 [M+K+HCOOH]+ 711.632
711.63218362756	unknown			0.857284351749428	839	796.6008# 27.6200##[M+K+NaCOOH]+ 689.65 [M+K+HCOOH]+ 711.632
877.551582973743	unknown			0.681161115946484	840	878.5618# 27.6190##[M+H]+ 877.552
425.012921366177	unknown			0.736654162891826	841	426.0189#242.6385##[M+H]+ 425.013
426.019239503303	unknown			0.381713329380299	842	427.0251#242.6500##[M+H]+ 426.019
237.111227043258	unknown			1.21369830186069e-07	843	238.1183#397.6960##[M+H]+ 237.111
660.287483824394	unknown			0.046799701598248	844	683.2745#355.4620#[432][M]+#[M+Na]+ 660.287
440.306722620729	unknown			0.600369892681928	845	441.3133#773.8310#[176][M]+#[M+H]+ 440.307
820.230499004058	unknown			0.253609553356505	846	843.2158#504.6140#[482][M]+#[M+Na]+ 820.23
471.360183685197	unknown			0.641502745804856	847	472.3671#216.1305##[M+H]+ 471.36
389.340099327646	unknown			0.00375899683682857	848	445.3299#733.8190##[M+K+NH3]+ 389.34 [M+Na+NH3]+ 405.314 [M+H+NH3]+ 427.296
405.314039327646	unknown			0.00375899683682857	849	445.3299#733.8190##[M+K+NH3]+ 389.34 [M+Na+NH3]+ 405.314 [M+H+NH3]+ 427.296
427.295964087873	unknown			0.00375899683682857	850	445.3299#733.8190##[M+K+NH3]+ 389.34 [M+Na+NH3]+ 405.314 [M+H+NH3]+ 427.296
500.108811228225	unknown			0.765705817987862	851	518.1396#129.6480#[248][M]+#[M+H+NH3]+ 500.109
718.199561917506	unknown			0.00403229928103999	852	741.1871#447.5265##[M+Na]+ 718.2
194.111835131815	unknown			0.00179090726019138	853	217.1008# 92.2995#[26][M]+#[M+Na]+ 194.112
426.216389189394	unknown			0.215766006850527	854	413.2061#393.9175#[150][M]+#[M+H-CH2]+ 426.216
442.124225442461	unknown			0.000177608470354418	855	399.1462#312.6230##[M+H-CO2]+ 442.124 [M+H-HCOOH]+ 444.154
460.134149414627	unknown			0.922501436896121	856	443.1300#312.6530##[M+H]+ 442.124 [M+H-H20]+ 460.134
145.000675028058	unknown			0.00371949673369709	857	183.9663# 40.0575##[M+K]+ 145.001
648.197592861314	unknown			0.0396378426722737	858	671.1855# 51.1230#[426][M]+#[M+Na]+ 648.198
1024.29366353683	unknown			0.0175700125497538	859	1047.2818#479.9540#[502][M]+#[M+Na]+ 1024.29
484.112978246527	unknown			0.572235435933191	860	507.1027#141.3795##[M+Na]+ 484.113
612.199790674202	unknown			0.926470973861036	861	635.1841#310.1090#[397][M]+#[M+Na]+ 612.2
678.294395428204	unknown			0.952467580125936	862	701.2828#310.1110##[M+Na]+ 678.294
638.194575474299	unknown			0.0405497011303038	863	661.1824#115.8400#[418][M]+#[M+Na]+ 638.195
226.966702891751	unknown			6.24368525230512e-05	864	227.9713# 57.8270##[M+H]+ 226.967
250.949190451356	unknown			2.91205326519162e-09	865	273.9393# 58.0750##[M+Na]+ 250.949
286.968041044093	unknown			1.52767913874641e-08	866	269.9644# 58.0590##[M+H-H20]+ 286.968 [M+H-C6H10O5]+ 431.018
303.971939667013	unknown			2.21591447413516e-07	867	304.9775# 57.7510##[M+H]+ 303.972 [M+H-COCH2]+ 345.977
345.976501093692	unknown			2.21591447413516e-07	868	304.9775# 57.7510##[M+H]+ 303.972 [M+H-COCH2]+ 345.977
389.994188637564	unknown			1.35634087516934e-07	869	372.9892# 57.7450#[98][M]+#[M+H-H20]+ 389.994
400.936423691169	unknown			3.08462171361157e-08	870	401.9426# 57.7310#[135][M]+#[M+H]+ 400.936
574.948919248574	unknown			1.22020550108459e-07	871	597.9372# 57.8320##[M+Na]+ 574.949
734.222149141152	unknown			0.112646279683814	872	589.1793#217.3820#[333][M]+#[M+H-C6H10O4]+ 734.222
544.14152381783	unknown			0.000395605552670819	873	545.1521#186.7440#[275][M]+#[M+H]+ 544.142
536.179226324426	unknown			0.0253744638550502	874	559.1673#300.2170#[288][M]+#[M+Na]+ 536.179
312.98277548753	unknown			0.03421832532181	875	313.9884# 47.5700##[M+H]+ 312.983
1015.64575357363	unknown			1.15656665120589e-05	876	1016.6567#720.6045#[500][M]+#[M+H]+ 1015.65
302.131943495301	unknown			0.788822793491949	877	325.1216#470.1885##[M+Na]+ 302.132
550.161973408647	unknown			0.0387674862931013	878	573.1495#353.1805#[307][M]+#[M+Na]+ 550.162
558.155724218377	unknown			0.0769086407176336	879	605.1752#353.3550#[361][M]+#[M+H+HCOOH]+ 558.156
152.002361449885	unknown			0.0113313880978048	880	174.9897#611.1330##[M+Na]+ 152.002 [2M+Na+2K]3+ 212.032
81.1152308038889	unknown			4.79737782832501e-09	881	120.0784# 81.7470##[M+K]+ 81.1152 [M+Na]+ 97.0892 [M+H]+ 119.071
97.0891708038889	unknown			4.79737782832501e-09	882	120.0784# 81.7470##[M+K]+ 81.1152 [M+Na]+ 97.0892 [M+H]+ 119.071
119.071105601635	unknown			4.79737782832501e-09	883	120.0784# 81.7470##[M+K]+ 81.1152 [M+Na]+ 97.0892 [M+H]+ 119.071
718.201458314423	unknown			0.0355973319829888	884	719.2088#408.9080#[453][M]+#[M+H]+ 718.201
369.099520276361	unknown			0.758547882912996	885	416.1084# 58.8600##[M+H+HCOOH]+ 369.1
584.163202815969	unknown			0.0165534478252372	886	585.1702#213.8840#[323][M]+#[M+H]+ 584.163
380.068128086877	unknown			0.197794221181721	887	381.0762#197.7020##[M+H]+ 380.068
754.224753315737	unknown			0.796927924558997	888	755.2327#330.3310#[468][M]+#[M+H]+ 754.225
446.154242806233	unknown			0.387589497543553	889	485.1174# 60.3300##[M+K]+ 446.154 [M+Na]+ 462.128 [M+H]+ 484.11
484.11013413375	unknown			0.387589497543553	890	485.1174# 60.3300##[M+K]+ 446.154 [M+Na]+ 462.128 [M+H]+ 484.11
690.447436718529	unknown			9.32940197118093e-06	891	713.4346#727.9190##[M+Na]+ 690.447
522.189771274486	unknown			0.242689296696457	892	561.1489#364.0740#[292][M]+#[M+K]+ 522.19
120.134951698204	unknown			0.0412489942590115	893	159.1000#219.5570##[M+K]+ 120.135
138.145178487221	unknown			0.0148899928230519	894	177.1098#219.5360##[M+K]+ 138.145 [M+H-C6H8O6]+ 352.132
544.181592233122	unknown			0.937210704297251	895	591.1930#222.8775##[M+K+HCOOH]+ 506.226 [M+Na+HCOOH]+ 522.199 [M+H+HCOOH]+ 544.182
528.358456806538	unknown			0.529301357703489	896	546.3875#772.4450##[M+H+NH3]+ 528.358
658.180980025437	unknown			0.464508378814962	897	659.1874#407.0160#[416][M]+#[M+H]+ 658.181
850.243834345912	unknown			0.252195128918212	898	873.2312#360.8740#[487][M]+#[M+Na]+ 850.244
678.189180308605	unknown			0.211012924158249	899	701.1787#145.1860##[M+Na]+ 678.189
718.201576442096	unknown			0.040842121573601	900	719.2084#424.2170#[454][M]+#[M+H]+ 718.202
1059.67358432154	unknown			1.25706261200342e-05	901	1060.6845#719.6280#[503][M]+#[M+H]+ 1059.67
123.913309776602	unknown			0.791530605578497	902	124.9211# 27.6200##
128.011044826729	unknown			0.235299181028621	903	129.0189# 24.8380##
129.005802404609	unknown			0.0825657003287761	904	130.0136# 24.9490##
133.104859213348	unknown			0.489258587322434	905	134.1127# 29.2145##
144.017946413128	unknown			0.742538563970181	906	145.0258#168.7595##
157.144205567324	unknown			0.265812176921039	907	158.1520#551.5240##
181.949596338698	unknown			0.0225150106902996	908	182.9574# 24.7520##
200.195062655587	unknown			0.0860596578429185	909	201.2029#674.1320##
222.975894612256	unknown			0.0491840811005035	910	223.9837# 24.7505##
238.118077419127	unknown			0.0331889738121287	911	239.1259#422.3375##
257.095889197608	unknown			0.0562940548507243	912	258.1037# 30.4880##
281.261181821971	unknown			0.0114957951152048	913	282.2690#655.7460##
281.257158407489	unknown			0.174877605599238	914	282.2650#673.8190##
283.303127253519	unknown			0.214807665733815	915	284.3110#678.6600##
306.085649695086	unknown			0.219330095766072	916	307.0935# 32.0860##
333.221004940412	unknown			0.166372200897648	917	334.2288#560.8150##
335.827245378007	unknown			4.13618888650547e-06	918	336.8351# 27.2915##
338.286556705057	unknown			0.0653044482613065	919	339.2944#736.6420##
339.378212249704	unknown			0.869017359166427	920	340.3860#765.9580##
340.285304679018	unknown			0.000415885723868303	921	341.2931#751.4830##
341.294583093219	unknown			0.3151700641119	922	342.3024#746.4345##
376.046413927405	unknown			0.211899623168242	923	377.0542#168.6255##
453.003538147022	unknown			0.213057564950175	924	454.0114#169.0195##
468.114983089266	unknown			0.920876701800665	925	469.1228#161.8005##
501.353768664024	unknown			0.692521969516711	926	502.3616#773.4950##
506.315530743935	unknown			0.122356781425764	927	507.3234#773.8230##
534.11824908573	unknown			0.206387679672517	928	535.1261#690.8960##
536.116216936668	unknown			0.0962128104321465	929	537.1240#691.1260##
556.275259593601	unknown			0.139271573282639	930	557.2831#400.4500##
556.275340552776	unknown			0.0244263299404806	931	557.2832#381.4525##
558.290889050948	unknown			0.296256914609499	932	559.2987#403.5035##
560.154395179604	unknown			0.000429800020771642	933	561.1622#260.1070##
560.306157909593	unknown			0.00240502949671106	934	561.3140#386.4240##
561.178764693926	unknown			0.000348810697632818	935	562.1866#257.5400##
570.144975287524	unknown			0.0238504444861358	936	571.1528#175.0585##
581.136925328418	unknown			0.00987621838666142	937	582.1448#232.2070##
590.153754522152	unknown			0.129877634020853	938	591.1616#247.7250##
608.196613242406	unknown			0.480206324460368	939	609.2044#197.1360##
612.456726160727	unknown			0.000610628100897292	940	613.4646#739.8435##
619.41304222883	unknown			0.0010815961729107	941	620.4209#731.0160##
620.420802955592	unknown			1.74277738125284e-05	942	621.4286#730.7320##
621.425599882989	unknown			1.74707003952612e-06	943	622.4334#730.9390##
626.186563570224	unknown			0.792371765881803	944	627.1944#231.1710##
638.206584088594	unknown			0.480019763042929	945	639.2144#196.1180##
641.232728890236	unknown			0.950983158316454	946	642.2406#336.3530##
655.251613582561	unknown			0.167708244474302	947	656.2594#372.6770##
684.226305788836	unknown			0.579990744586573	948	685.2341#365.0090##

(Page generated on Wed Sep 18 11:45:33 2013 by hwriter 1.3)