Compound	nhilic-03jun17-001	nhilic-03jun17-002	nhilic-03jun17-003	nhilic-03jun17-004	nhilic-03jun17-005	nhilic-03jun17-006	nhilic-03jun17-007	nhilic-03jun17-008	nhilic-03jun17-009	nhilic-03jun17-010	nhilic-03jun17-011	nhilic-03jun17-012	nhilic-03jun17-013	nhilic-03jun17-014	nhilic-03jun17-015	nhilic-03jun17-016	nhilic-03jun17-017	nhilic-03jun17-018	nhilic-03jun17-019	nhilic-03jun17-020	nhilic-03jun17-021	nhilic-03jun17-022	nhilic-03jun17-023	nhilic-03jun17-024	nhilic-03jun17-025	nhilic-03jun17-026	nhilic-03jun17-027	nhilic-03jun17-028	nhilic-03jun17-029	nhilic-03jun17-030
Factors	Groups:Weight Losing | Gender:Male	Groups:Weight Losing | Gender:Female	Groups:Weight Stable | Gender:Female	Groups:Control | Gender:Female	Groups:Control | Gender:Female	Groups:Control | Gender:Male	Groups:Weight Stable | Gender:Male	Groups:Weight Stable | Gender:Female	Groups:Control | Gender:Male	Groups:Control | Gender:Male	Groups:Weight Stable | Gender:Male	Groups:Control | Gender:Female	Groups:Weight Stable | Gender:Female	Groups:Weight Losing | Gender:Male	Groups:Weight Losing | Gender:Female	Groups:Weight Stable | Gender:Male	Groups:Control | Gender:Female	Groups:Weight Losing | Gender:Female	Groups:Weight Losing | Gender:Female	Groups:Control | Gender:Male	Groups:Weight Losing | Gender:Male	Groups:Control | Gender:Female	Groups:Weight Stable | Gender:Male	Groups:Weight Losing | Gender:Male	Groups:Control | Gender:Male	Groups:Weight Stable | Gender:Female	Groups:Weight Losing | Gender:Male	Groups:Weight Losing | Gender:Female	Groups:Weight Stable | Gender:Female	Groups:Weight Stable | Gender:Male
Acetylenedicarboxylate	6032421.00	6374295.00	6228770.00	6283796.00	6150145.00	5969709.00	6349601.00	6437325.00	6226981.00	6438020.00	6032388.00	6394074.00	6242949.00	5866339.00	6360723.00	6234432.00	6235772.00	6197156.00	5882482.00	6226311.00	5979281.00	5885080.00	6089236.00	6136310.00	5806231.00	5988899.00	6410643.00	6184864.00	6340553.00	5973659.00
Inosine	1219510.00	1313057.00	1448430.00	1690927.00	2140593.00	1103353.00	2920619.00	1986401.00	1515223.00	1798128.00	1095607.00	3489875.00	1520414.00	541195.00	1640572.00	3047651.00	1295712.00	2025279.00	1273803.00	4183488.00	794352.00	3787909.00	1936230.00	1078047.00	855733.00	142396.00	1601063.00	1824425.00	1963896.00	2267031.00
?-D-Glucose	740372.00	1486299.00	411209.00	2758622.00	834496.00	1276563.00	2464950.00	544650.00	1423518.00	1328115.00	1522018.00	2701589.00	1598100.00	1878617.00	1728606.00	2735137.00	1930863.00	1843693.00	1627879.00	2718083.00	1211352.00	2467270.00	2816262.00	1204250.00	1956876.00	865799.00	2399994.00	1413114.00	2771844.00	2848769.00
?-D-Glucose Esi-2.7239993	205943.00	866865.00	155914.00	2095487.00	323555.00	646374.00	2016413.00	359082.00	755083.00	644296.00	544217.00	2194770.00	844113.00	869505.00	1688424.00	2313981.00	1344298.00	951731.00	850357.00	2630786.00	355409.00	1864188.00	1357203.00	503362.00	358395.00	328815.00	1584934.00	645609.00	1911066.00	1566037.00
PS(19:1(9Z)/18:0)	988703.00	906922.00	783194.00	1104493.00	1083909.00	1209237.00	868055.00	739908.00	1329774.00	942845.00	1003649.00	668561.00	925896.00	856341.00	955117.00	930793.00	967321.00	735789.00	738766.00	1280945.00	473651.00	726721.00	927702.00	775451.00	1283897.00	860308.00	883206.00	949619.00	854912.00	1167654.00
Hypoxanthine	167446.00	254649.00	313210.00	471497.00	378884.00	275644.00	622560.00	298842.00	470577.00	130519.00	382954.00	803352.00	421641.00	164739.00	414380.00	813922.00	219955.00	254093.00	228736.00	715742.00	41614.00	1230611.00	301017.00	124832.00	256965.00	66407.00	195654.00	284264.00	614225.00	326342.00
C9 H2 N2 O5 S	1112891.00	1188156.00	1165137.00	1198896.00	1166818.00	1159289.00	1186009.00	1234046.00	1202873.00	1197502.00	1123230.00	1183971.00	1170000.00	1108635.00	1221075.00	1187823.00	1193523.00	1142817.00	1139631.00	1198920.00	1107933.00	1126996.00	1141665.00	1171081.00	1111433.00	1151400.00	1227659.00	1185547.00	1209518.00	1153383.00
Glutamine	386718.00	697770.00	759801.00	588176.00	1207301.00	1050131.00	292039.00	86914.00	549633.00	429551.00	580412.00	227287.00	448206.00	582389.00	404982.00	291251.00	735127.00	323480.00	350585.00	781040.00	235702.00	553362.00	617182.00	541757.00	618480.00	373752.00	455734.00	584204.00	134430.00	819500.00
Taurine	733024.00	425893.00	775952.00	1090003.00	714672.00	730992.00	535186.00	234889.00	1126736.00	401388.00	510416.00	731176.00	581936.00	354215.00	871344.00	477366.00	1124571.00	656699.00	671163.00	908539.00	274999.00	587224.00	822245.00	404606.00	868050.00	703555.00	774320.00	751099.00	160897.00	769505.00
Succinic acid	83038.00	186311.00	223939.00	219359.00	104149.00	182889.00	111337.00	58917.00	368335.00	313887.00	159335.00	151425.00	191708.00	152541.00	153159.00	193851.00	951024.00	159440.00	211204.00	204391.00	226904.00	182151.00	394774.00	97721.00	242223.00	180648.00	195980.00	116296.00	62169.00	794388.00
C26 H36 N17 O6	855243.00	484911.00	476805.00	556186.00	480625.00	501559.00	732270.00	425974.00	570124.00	769435.00	835936.00	665813.00	552470.00	428795.00	560011.00	557800.00	881826.00	575861.00	724803.00	727706.00	560781.00	450050.00	755583.00	477806.00	895454.00	510241.00	511800.00	759208.00	661402.00	375357.00
MID42031:25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / 25-hydroxy-16,17,23,23,24,24-hexadehyd	734595.00	686710.00	676908.00	698777.00	711054.00	703384.00	692653.00	702333.00	762737.00	677065.00	640447.00	664040.00	704585.00	676016.00	674348.00	734082.00	686762.00	697768.00	768929.00	721426.00	687877.00	587592.00	677966.00	710965.00	671201.00	769182.00	748773.00	722312.00	719220.00	776907.00
Homovanillic acid	238717.00	513413.00	140807.00	912262.00	268986.00	407311.00	821129.00	175770.00	478676.00	433443.00	497053.00	891255.00	534385.00	614370.00	558105.00	864063.00	622861.00	600762.00	532799.00	888391.00	385246.00	801486.00	926542.00	391631.00	632926.00	282109.00	788824.00	457391.00	904919.00	931928.00
2-(m-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane	722970.00	811351.00	776374.00	819659.00	786006.00	785577.00	783216.00	863132.00	796833.00	814153.00	747248.00	779101.00	788127.00	746817.00	754288.00	779869.00	804658.00	761345.00	765669.00	815409.00	736882.00	717077.00	770111.00	764360.00	747775.00	757026.00	841756.00	806496.00	816546.00	758842.00
Sulfanilamide	68647.00	257831.00	49404.00	654190.00	107589.00	206146.00	633489.00	108941.00	238840.00	197941.00	170925.00	686288.00	266546.00	277359.00	517933.00	715874.00	404718.00	297027.00	265986.00	815402.00	109680.00	573858.00	419690.00	155618.00	213313.00	102913.00	489759.00	199966.00	591233.00	488517.00
2-(beta-D-Glucosyl)-sn-glycerol	67173.00	284510.00	350651.00	179254.00	740589.00	585704.00	37927.00	2585.00	150668.00	86506.00	165569.00	24781.00	109351.00	183324.00	75848.00	41285.00	283893.00	47065.00	58453.00	314161.00	25135.00	148793.00	189052.00	145020.00	191347.00	68614.00	94131.00	178988.00	7626.00	340287.00
Sarcosine	549968.00	484503.00	487639.00	665374.00	774554.00	786438.00	487967.00	127367.00	705145.00	504153.00	572848.00	316022.00	354794.00	411941.00	575894.00	404696.00	608005.00	448027.00	374462.00	668211.00	256298.00	541386.00	560669.00	537038.00	646902.00	386136.00	547854.00	517038.00	162980.00	672372.00
7-Methylxanthine	276585.00	252734.00	262685.00	304658.00	301291.00	278337.00	235931.00	258841.00	285396.00	266436.00	51565.00	63414.00	42443.00	37362.00	49079.00	19954.00	16525.00	20778.00	55457.00	44048.00	51887.00	47424.00	46646.00	50339.00	43701.00	40910.00	34764.00	32329.00	18450.00	122697.00
Chlorhexidine	1.00	1.00	1.00	56189.00	21830.00	7120.00	1.00	1.00	2169.00	7138.00	1.00	186006.00	28696.00	25203.00	26881.00	104560.00	30138.00	57184.00	3501.00	18369.00	1.00	5102.00	66743.00	1.00	1.00	1.00	1.00	97346.00	1.00	582981.00
Phytuberin	464927.00	408865.00	335327.00	410144.00	385772.00	409861.00	280842.00	499508.00	345100.00	325080.00	350169.00	431757.00	499941.00	331716.00	339118.00	425056.00	589962.00	410202.00	353307.00	367466.00	453901.00	309885.00	263492.00	388624.00	430299.00	498941.00	609430.00	553372.00	375650.00	386954.00
L-Lactic acid	955947.00	587921.00	831995.00	651729.00	694775.00	564674.00	705950.00	455240.00	676982.00	609786.00	117631.00	711105.00	756561.00	622148.00	540527.00	614505.00	616444.00	612136.00	641941.00	598605.00	519068.00	572390.00	736779.00	243008.00	580683.00	900183.00	650070.00	797019.00	677460.00	587973.00
C18 H8 N5 O5	113912.00	94909.00	109959.00	119679.00	114928.00	104062.00	81188.00	103998.00	109281.00	124882.00	23442.00	19528.00	19230.00	21231.00	1.00	1.00	1.00	1.00	24273.00	1.00	1.00	19987.00	19358.00	1.00	1.00	29970.00	19589.00	1.00	1.00	34472.00
Sulfaphenazole	294338.00	271511.00	280667.00	321366.00	314858.00	291713.00	254973.00	274881.00	300278.00	289292.00	59340.00	65255.00	48666.00	39775.00	54825.00	22851.00	19430.00	25186.00	60062.00	47919.00	59960.00	51993.00	49621.00	53658.00	48574.00	46574.00	40089.00	34939.00	23699.00	123238.00
C6 H2 N2 O3 S	538587.00	578214.00	603514.00	565704.00	570913.00	548429.00	577182.00	596504.00	582108.00	575799.00	528559.00	552352.00	550015.00	554807.00	579687.00	565066.00	570523.00	549765.00	546136.00	572203.00	561941.00	536922.00	547738.00	587239.00	515909.00	550439.00	582694.00	597446.00	576273.00	548515.00
Pseudouridine	136293.00	121215.00	154776.00	235585.00	265668.00	148385.00	342395.00	153629.00	235318.00	132485.00	187852.00	526777.00	201952.00	92488.00	209377.00	320547.00	163944.00	200871.00	128430.00	485452.00	43976.00	425924.00	210826.00	129301.00	180008.00	57815.00	155518.00	215293.00	238908.00	212311.00
Piperaduncin B	1.00	1.00	1.00	42309.00	16586.00	1.00	1.00	1.00	1.00	1.00	1.00	144840.00	23780.00	18697.00	21099.00	80081.00	22293.00	46464.00	1.00	13385.00	1.00	1.00	50719.00	1.00	1.00	1.00	1.00	74179.00	1.00	454905.00
C4 H2 S3	458582.00	227204.00	444839.00	462448.00	470123.00	450497.00	1.00	466717.00	1.00	423100.00	427156.00	1.00	1.00	424815.00	1.00	411937.00	369313.00	118466.00	231448.00	204817.00	1.00	1.00	322318.00	211603.00	380620.00	209689.00	1.00	195317.00	1.00	1.00
?-Glutamyl-?-cyanoalanine	263376.00	325474.00	207541.00	282265.00	493924.00	262107.00	195181.00	60026.00	336120.00	262077.00	287254.00	107867.00	110646.00	126722.00	407914.00	330586.00	226284.00	99451.00	58543.00	244386.00	58039.00	141282.00	254935.00	309191.00	175125.00	33870.00	100740.00	101171.00	48442.00	281756.00
C10 H2 N4 O11 S	401693.00	471128.00	457483.00	476346.00	418965.00	433836.00	476251.00	488224.00	439248.00	480759.00	422275.00	471610.00	444718.00	421407.00	463021.00	440752.00	473969.00	426862.00	429471.00	454555.00	431290.00	439202.00	455247.00	430507.00	421234.00	430043.00	462209.00	471627.00	453298.00	450085.00
?-hydroxyisobutyrate	87751.00	68984.00	1.00	261515.00	495483.00	14813.00	19992.00	42324.00	27991.00	15446.00	13166.00	194078.00	1.00	18021.00	62868.00	21320.00	46723.00	16172.00	93937.00	339853.00	97498.00	81459.00	23524.00	1.00	29700.00	13549.00	118565.00	60748.00	17325.00	183783.00
C6 H14 N3 S3	128353.00	119939.00	121400.00	146548.00	136521.00	128771.00	110661.00	122722.00	136728.00	138030.00	32868.00	31679.00	25311.00	28527.00	27747.00	1.00	1.00	1.00	33067.00	24490.00	25867.00	29334.00	31358.00	24864.00	24038.00	28181.00	22509.00	21527.00	1.00	58132.00
C8 H5 O7 S	1.00	1.00	1.00	1169885.00	912558.00	801241.00	1.00	1.00	1.00	1.00	1537388.00	1.00	535640.00	1139139.00	935798.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1234890.00	1624166.00	1.00	1.00	495445.00	1.00	1.00
Benzaldehyde, p-amino-, thiosemicarbazone	501363.00	534155.00	447329.00	481107.00	457426.00	556742.00	361633.00	407212.00	443438.00	439548.00	113981.00	191498.00	100062.00	50646.00	53852.00	73481.00	199085.00	81114.00	65450.00	208725.00	175205.00	173454.00	100267.00	93454.00	51612.00	55827.00	49006.00	182961.00	76377.00	206116.00
C15 H2 O17	349354.00	392252.00	346345.00	399677.00	374273.00	348395.00	391796.00	386428.00	392843.00	405562.00	367175.00	399573.00	361771.00	328614.00	386968.00	390042.00	390522.00	382783.00	362976.00	400812.00	347522.00	375907.00	361400.00	389867.00	351111.00	370100.00	399668.00	391328.00	365023.00	327889.00
?-D-Glucose Esi-4.9079995	496385.00	315501.00	855852.00	580160.00	238279.00	447237.00	151263.00	85688.00	371697.00	635020.00	343273.00	292756.00	218991.00	233435.00	271262.00	441172.00	120072.00	261816.00	203904.00	195800.00	130391.00	531716.00	575931.00	275804.00	477356.00	36497.00	178369.00	316441.00	191559.00	241344.00
Pantothenic Acid	615564.00	175236.00	123545.00	162724.00	170841.00	161318.00	95340.00	18655.00	840325.00	112047.00	139301.00	47520.00	101701.00	263326.00	257686.00	130627.00	111266.00	108043.00	35028.00	420755.00	38423.00	128317.00	422672.00	125395.00	663312.00	360035.00	170861.00	98937.00	29906.00	222053.00
C29 H15 N2 O26	24645.00	1.00	1.00	26446.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	36745.00	1.00	1.00	1.00	123185.00	1.00	1.00	45846.00	27094.00	1.00	1.00	32935.00	1.00	1.00	21619.00	244298.00	1.00	1.00
Creatine	272444.00	232908.00	239477.00	338397.00	388376.00	400417.00	237745.00	68624.00	355626.00	250606.00	285946.00	152472.00	176524.00	203788.00	280859.00	200517.00	288032.00	216853.00	192636.00	327882.00	125261.00	252997.00	271700.00	254374.00	316595.00	189365.00	263860.00	244973.00	86889.00	321749.00
C3 H6 N3 S	1.00	532614.00	1.00	874806.00	373785.00	419235.00	390943.00	1.00	497478.00	879798.00	867872.00	598451.00	363604.00	309351.00	388027.00	442158.00	426281.00	637969.00	379989.00	1467218.00	559008.00	331553.00	374066.00	341733.00	936729.00	43803.00	437838.00	854174.00	439616.00	420351.00
Phoxim	41948.00	37055.00	73391.00	44115.00	36970.00	35465.00	27886.00	75862.00	45209.00	87619.00	24337.00	23357.00	21560.00	24960.00	13102.00	1.00	1.00	1.00	32114.00	1.00	22093.00	23978.00	23305.00	1.00	1.00	36463.00	23317.00	1.00	1.00	29898.00
His Ala	528742.00	247609.00	116119.00	557957.00	261482.00	507375.00	263152.00	1.00	600054.00	688064.00	782329.00	362883.00	67117.00	536045.00	305876.00	297567.00	668623.00	732856.00	351202.00	556159.00	204122.00	284055.00	1131551.00	770201.00	741922.00	192321.00	826975.00	350263.00	117014.00	565059.00
5-Nitro-ortho-anisidine	261825.00	362285.00	373596.00	308159.00	338845.00	348466.00	195764.00	58882.00	265515.00	231093.00	289351.00	157139.00	315889.00	301555.00	217254.00	203841.00	346927.00	219505.00	249665.00	354665.00	172692.00	289389.00	314519.00	282324.00	308704.00	262569.00	238881.00	314073.00	107914.00	353273.00
C6 H10 N3 O2 S	1.00	1.00	1.00	977709.00	528652.00	367890.00	1.00	1.00	1406763.00	1.00	909863.00	1.00	1268457.00	2162844.00	365634.00	1117710.00	1.00	1.00	1.00	1195399.00	1.00	1260607.00	868613.00	1379726.00	1.00	1.00	1.00	1205887.00	1.00	1.00
GW 842166X	96650.00	83992.00	92281.00	106916.00	102941.00	87906.00	71244.00	89369.00	96002.00	101364.00	18233.00	15285.00	15835.00	16488.00	12626.00	1.00	1.00	1.00	20059.00	1.00	12742.00	16691.00	16321.00	1.00	12390.00	20796.00	13511.00	13509.00	1.00	26153.00
C18 H2 O19	257759.00	291038.00	304972.00	311416.00	277834.00	310902.00	313765.00	312037.00	312398.00	288024.00	276073.00	311304.00	264763.00	293473.00	308334.00	269144.00	324622.00	302119.00	271864.00	320454.00	279390.00	288237.00	270761.00	319113.00	282844.00	302662.00	320494.00	314584.00	296358.00	285780.00
5-(3-Buten-1-ynyl)-2,2'-bithiophene	186241.00	174676.00	259683.00	180797.00	298284.00	261862.00	142870.00	379614.00	161933.00	279569.00	125564.00	211870.00	142991.00	133073.00	180378.00	150451.00	284841.00	151824.00	128606.00	228143.00	212553.00	211900.00	158089.00	238305.00	255609.00	154942.00	185195.00	225921.00	115125.00	229439.00
Adenosine	12050.00	1.00	17408.00	13605.00	1.00	1.00	92735.00	359828.00	1.00	1.00	1.00	82490.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14815.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	16093.00
C28 H9 N9 O21	1.00	1.00	1.00	1977221.00	1.00	1.00	1.00	1.00	95965.00	1.00	1.00	1948986.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	67030.00	1.00	1.00	1.00	165693.00	1.00	1.00	1.00	1.00	264948.00
PI(18:2(9Z,12Z)/20:2(11Z,14Z))	308141.00	211685.00	235165.00	310164.00	248067.00	232338.00	212298.00	224286.00	285902.00	229048.00	199352.00	164721.00	192222.00	174195.00	230734.00	262609.00	278499.00	244499.00	223156.00	234458.00	182743.00	162666.00	196145.00	180087.00	268899.00	292343.00	223359.00	251656.00	223171.00	319662.00
C30 H24 N4 O30 S2	1.00	1.00	4754487.00	397719.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	422628.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	404431.00	461031.00	1.00	1.00	1.00	1.00	4217959.00
Fagomine	195636.00	191446.00	151291.00	148790.00	184510.00	265443.00	91134.00	28042.00	225693.00	175993.00	275420.00	91736.00	130107.00	202798.00	123046.00	136680.00	107277.00	116415.00	91490.00	215659.00	88766.00	145911.00	154930.00	146479.00	281485.00	169474.00	266821.00	141593.00	35469.00	337246.00
C21 H4 N2 O	87503.00	48815.00	78435.00	79309.00	87101.00	75240.00	63093.00	85917.00	83253.00	86718.00	19058.00	16642.00	15340.00	15409.00	14019.00	1.00	1.00	1.00	28620.00	1.00	10713.00	18465.00	15303.00	1.00	11604.00	39091.00	19512.00	12673.00	1.00	31257.00
L-Lactic acid Esi-4.501	1.00	807653.00	1.00	849762.00	771706.00	800582.00	1356700.00	1.00	1205170.00	646966.00	339506.00	1055127.00	729658.00	620516.00	699341.00	636425.00	568416.00	1344424.00	210027.00	733290.00	1129000.00	555885.00	1066261.00	699660.00	707429.00	1.00	149150.00	532264.00	834709.00	211995.00
L-Lactic acid Esi-2.8679993	43126.00	59775.00	18927.00	129534.00	38014.00	56547.00	107474.00	16597.00	57173.00	50977.00	74345.00	125462.00	65296.00	85275.00	51183.00	127003.00	66674.00	77838.00	63892.00	108978.00	58971.00	129287.00	177491.00	47765.00	124326.00	27706.00	92931.00	52264.00	124502.00	158704.00
L-Lyxonate	276585.00	252734.00	262685.00	304658.00	301291.00	278337.00	235931.00	258841.00	285396.00	266436.00	51565.00	63414.00	42443.00	37362.00	49079.00	19954.00	16525.00	20778.00	55457.00	44048.00	51887.00	47424.00	46646.00	50339.00	43701.00	40910.00	34764.00	32329.00	18450.00	122424.00
PS(17:0/22:1(11Z))	182580.00	124872.00	164997.00	235650.00	175471.00	191879.00	184143.00	140348.00	204667.00	115377.00	156209.00	127609.00	154364.00	95101.00	213638.00	162163.00	215679.00	83968.00	143481.00	246791.00	94523.00	117713.00	122333.00	114730.00	165326.00	180348.00	122987.00	157671.00	122449.00	264726.00
C3 H6 N3 S Esi-5.2100005	607840.00	380600.00	457692.00	672268.00	524105.00	479605.00	582473.00	307992.00	581143.00	407311.00	449672.00	464728.00	651526.00	370133.00	453844.00	468269.00	510152.00	637902.00	547338.00	576859.00	290906.00	488937.00	578247.00	616775.00	500429.00	658858.00	468000.00	168263.00	517196.00	521940.00
5alpha-Cholanoic acid	235323.00	218957.00	223583.00	226668.00	230015.00	229830.00	226415.00	235855.00	240113.00	219437.00	205990.00	213120.00	228493.00	212186.00	222361.00	248391.00	225883.00	233467.00	250915.00	240365.00	230208.00	191540.00	222611.00	237350.00	217753.00	254174.00	239498.00	237978.00	234088.00	253072.00
C7 H18 N5 O7	271270.00	216049.00	213618.00	251905.00	211293.00	220467.00	265122.00	100369.00	251910.00	243086.00	229728.00	221287.00	199743.00	201889.00	258757.00	248835.00	225024.00	257508.00	230757.00	232780.00	198653.00	240528.00	229591.00	237711.00	243591.00	227658.00	255943.00	234964.00	138584.00	227449.00
Cinnavalininate	58722.00	56406.00	53926.00	66136.00	60904.00	53034.00	47290.00	54415.00	68151.00	65914.00	13103.00	16642.00	15340.00	16143.00	14019.00	1.00	1.00	1.00	16577.00	1.00	10713.00	13862.00	13105.00	1.00	11604.00	12332.00	19829.00	12678.00	1.00	20211.00
PE(20:4(8Z,11Z,14Z,17Z)/P-18:0)	210780.00	133440.00	147286.00	244439.00	197703.00	156998.00	198269.00	173489.00	234050.00	113021.00	196250.00	148581.00	181273.00	135087.00	198692.00	228080.00	216212.00	154765.00	113460.00	214902.00	130813.00	124362.00	212000.00	154697.00	193457.00	202737.00	180849.00	203760.00	170931.00	272009.00
C17 H6 N2 O18 S2	230091.00	228934.00	246174.00	240692.00	239976.00	247256.00	232272.00	262122.00	241431.00	258249.00	208207.00	238374.00	231775.00	214204.00	247667.00	219392.00	252271.00	243374.00	232495.00	243871.00	231081.00	220233.00	241429.00	227805.00	226831.00	227810.00	264988.00	252236.00	226398.00	203105.00
Suprofen	84182.00	104945.00	107856.00	127249.00	140505.00	85508.00	191551.00	152067.00	111505.00	129718.00	81658.00	214964.00	111357.00	46650.00	136921.00	197458.00	100061.00	144907.00	96610.00	263090.00	60444.00	225239.00	127035.00	86885.00	66323.00	14091.00	122949.00	135304.00	143550.00	148904.00
C3 H3 Cl N3 S	199955.00	383554.00	156258.00	184795.00	386266.00	202885.00	181644.00	383442.00	405634.00	353855.00	361031.00	372266.00	282881.00	400938.00	446020.00	206483.00	201429.00	187814.00	287793.00	211365.00	219384.00	235490.00	127167.00	377361.00	211076.00	219434.00	429562.00	200015.00	226583.00	437000.00
C6 H O8 S	421970.00	476035.00	468079.00	521673.00	391786.00	435963.00	474792.00	486027.00	539482.00	547038.00	479033.00	444187.00	436646.00	516296.00	488828.00	441826.00	462329.00	506474.00	457063.00	99988.00	513167.00	551350.00	448320.00	496113.00	503511.00	455875.00	464151.00	455582.00	517074.00	562111.00
PS(O-20:0/17:2(9Z,12Z))	240424.00	198029.00	111828.00	122320.00	144111.00	175154.00	95634.00	105286.00	71188.00	159778.00	115040.00	64898.00	113163.00	112384.00	74070.00	102099.00	71538.00	124363.00	129694.00	108828.00	39438.00	68878.00	79478.00	105301.00	192065.00	76070.00	134005.00	96025.00	108520.00	100382.00
C6 H10 N3 O2 S Esi-4.1129994	1.00	1.00	1.00	2340106.00	521077.00	1.00	1.00	1.00	1.00	1.00	2369161.00	1.00	1268698.00	921761.00	352631.00	1084894.00	1069016.00	1.00	1.00	1144502.00	1.00	1.00	1.00	1360075.00	2642634.00	1.00	1.00	1646016.00	1.00	1.00
Alloxydim	29986.00	23261.00	28742.00	47724.00	39974.00	39333.00	59622.00	49501.00	48801.00	52429.00	74820.00	40419.00	68935.00	55768.00	61304.00	62879.00	15205.00	70496.00	54809.00	38991.00	39835.00	42845.00	56390.00	42995.00	51635.00	56583.00	110539.00	47568.00	69345.00	49850.00
C4 H2 S3 Esi-7.2400002	1.00	504546.00	176115.00	166103.00	1.00	194874.00	172094.00	272528.00	531155.00	192141.00	179476.00	1.00	155748.00	178838.00	1.00	1.00	142518.00	173204.00	1.00	1.00	142320.00	141129.00	162305.00	142168.00	179768.00	155532.00	56108.00	158591.00	72967.00	180490.00
C22 H44 O6	212997.00	194863.00	195826.00	184071.00	196344.00	194147.00	181251.00	201893.00	210888.00	199178.00	174376.00	175040.00	187807.00	177572.00	170764.00	193556.00	189398.00	194053.00	209890.00	176005.00	199197.00	157051.00	187622.00	181303.00	181305.00	206720.00	208873.00	209308.00	198686.00	198793.00
PE(18:0/20:4(8Z,11Z,14Z,17Z))	200329.00	73676.00	191298.00	238146.00	178243.00	172103.00	139250.00	148726.00	153674.00	163805.00	149663.00	106468.00	157063.00	98387.00	156742.00	132426.00	179133.00	166112.00	168254.00	170581.00	105284.00	128354.00	169377.00	95856.00	187247.00	185014.00	146751.00	143782.00	161977.00	205605.00
C28 H9 N9 O21 Esi-7.562	44889.00	36276.00	1.00	29815.00	1.00	1.00	13044.00	1.00	30362.00	1.00	1.00	1.00	1.00	1.00	17599.00	1.00	1.00	1.00	186031.00	1.00	1.00	1.00	40885.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C4 H2 S3 Esi-5.403	1.00	1.00	444839.00	462448.00	470123.00	1.00	228318.00	466717.00	419930.00	423100.00	427193.00	1.00	116229.00	253099.00	1.00	411937.00	369313.00	1.00	208459.00	204817.00	1.00	1.00	219365.00	211603.00	380620.00	209689.00	361248.00	209636.00	1.00	229029.00
F-Honaucin A	166568.00	76240.00	64497.00	207119.00	121973.00	113568.00	88065.00	1.00	301296.00	33608.00	106547.00	109837.00	96499.00	88117.00	241678.00	109018.00	252966.00	210350.00	258008.00	198448.00	47556.00	121782.00	124660.00	83541.00	150079.00	154300.00	296729.00	209299.00	49315.00	149041.00
2-Imino-3-(7-chloroindol-3-yl)propanoate	106104.00	35356.00	121399.00	178195.00	96137.00	94095.00	52420.00	1.00	195316.00	28481.00	45035.00	112232.00	64261.00	19102.00	135315.00	40783.00	220977.00	86476.00	81751.00	162522.00	11958.00	62900.00	137444.00	27792.00	142192.00	88109.00	128653.00	109525.00	1.00	104269.00
PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-16:0)	166507.00	91575.00	132174.00	150058.00	127236.00	104168.00	107980.00	107978.00	217563.00	105472.00	199444.00	112382.00	159539.00	79436.00	136065.00	140844.00	169585.00	85591.00	78057.00	238022.00	74661.00	79246.00	169636.00	113502.00	176107.00	129423.00	120610.00	166203.00	128732.00	196846.00
Red chlorophyll catabolite	235154.00	134284.00	121090.00	148041.00	135370.00	134524.00	205827.00	112414.00	156342.00	181000.00	230455.00	178736.00	159144.00	119756.00	163063.00	142078.00	220094.00	144445.00	184266.00	218031.00	143813.00	121554.00	183214.00	125730.00	223187.00	137005.00	136101.00	193594.00	184508.00	115814.00
C5 H8 N S	160159.00	165479.00	200849.00	122013.00	121438.00	157959.00	125967.00	205313.00	162080.00	42772.00	1.00	1.00	1.00	116318.00	125006.00	161123.00	201588.00	161092.00	157011.00	201962.00	195350.00	225386.00	158253.00	233854.00	120626.00	119112.00	85714.00	231904.00	163016.00	121537.00
C3 H6 N3 S Esi-4.518999	1.00	532684.00	1.00	864444.00	372741.00	418947.00	461353.00	1.00	482098.00	878197.00	854409.00	600969.00	415103.00	308374.00	380958.00	438193.00	408196.00	777619.00	381494.00	415403.00	552942.00	319441.00	373256.00	342576.00	456178.00	43440.00	386382.00	850614.00	441158.00	420325.00
Chlorate	156806.00	155003.00	167059.00	197757.00	220914.00	231254.00	137366.00	36493.00	211067.00	139408.00	204924.00	103285.00	133123.00	146798.00	158437.00	135267.00	169848.00	125651.00	98295.00	210647.00	69283.00	171626.00	179673.00	155597.00	229800.00	107425.00	177281.00	148346.00	60861.00	220996.00
C30 H24 N4 O30 S2 Esi-5.94361	31853.00	1.00	27434.00	25304.00	65530.00	1.00	85544.00	599743.00	97427.00	1.00	19985.00	1.00	1.00	69590.00	1.00	1.00	264586.00	1.00	1.00	206054.00	55660.00	70664.00	97984.00	46395.00	150277.00	268264.00	1.00	130714.00	1.00	1.00
Bruceoside A	169199.00	126549.00	121624.00	131944.00	127410.00	115438.00	163354.00	107933.00	146539.00	174620.00	190268.00	163697.00	161587.00	99622.00	139198.00	151573.00	172863.00	135275.00	144196.00	210503.00	125193.00	112482.00	170728.00	120184.00	173451.00	107441.00	147832.00	161771.00	167811.00	100928.00
Benzaldehyde, p-amino-, thiosemicarbazone Esi-0.97200006	477654.00	533481.00	447273.00	475556.00	449620.00	546169.00	349212.00	394485.00	442255.00	438473.00	97759.00	191498.00	100062.00	60804.00	152238.00	73979.00	199085.00	80580.00	140642.00	206817.00	171083.00	166807.00	99942.00	34547.00	43819.00	52319.00	59138.00	178194.00	50344.00	206116.00
Ser His Gly	124886.00	171491.00	186226.00	157502.00	192422.00	187685.00	122383.00	28201.00	163037.00	155581.00	177382.00	100002.00	164282.00	186007.00	153940.00	130731.00	206136.00	136105.00	147129.00	200147.00	103365.00	179842.00	188991.00	181667.00	184340.00	154695.00	166732.00	195922.00	56174.00	209182.00
C28 H9 N9 O21 Esi-4.3855886	1.00	1.00	1.00	89432.00	38625.00	1.00	1.00	1.00	42161.00	44067.00	34187.00	1.00	50309.00	32152.00	77040.00	92321.00	34543.00	32866.00	41748.00	1.00	1.00	24516.00	179089.00	1.00	21007.00	1.00	46418.00	15318.00	1.00	1.00
C3 H6 N3 S Esi-5.210999	607864.00	380600.00	456901.00	548959.00	682294.00	479605.00	583392.00	307992.00	583796.00	412862.00	427972.00	421618.00	449524.00	364205.00	660570.00	452947.00	503068.00	646426.00	546915.00	576859.00	297462.00	489017.00	578247.00	467572.00	499856.00	659886.00	232461.00	148621.00	518120.00	540697.00
3,5-Dinitroguaiacol	83865.00	122591.00	70651.00	90449.00	84874.00	173521.00	110574.00	106894.00	89066.00	85668.00	140849.00	68771.00	100361.00	85963.00	68765.00	201722.00	95451.00	114269.00	75558.00	102190.00	71405.00	54751.00	75684.00	68823.00	91658.00	146438.00	138071.00	109110.00	69280.00	82634.00
4-Hydroxyethinylestradiol	82266.00	80849.00	77586.00	71216.00	75292.00	91395.00	77414.00	68443.00	74463.00	72459.00	68234.00	93205.00	93474.00	75288.00	82761.00	88241.00	82804.00	67320.00	82453.00	75494.00	81010.00	69610.00	65224.00	85035.00	83025.00	90034.00	191089.00	84679.00	70255.00	81257.00
C6 H14 N3 S3 Esi-1.132	51706.00	31559.00	41320.00	40026.00	46083.00	39779.00	32723.00	45973.00	53793.00	48834.00	16983.00	18205.00	15330.00	15268.00	15863.00	1.00	1.00	1.00	24871.00	12531.00	30688.00	16305.00	11668.00	28985.00	13051.00	41119.00	19777.00	10688.00	15567.00	34568.00
Pregna-4,16-diene-3,11,20-trione	68198.00	80223.00	71822.00	58529.00	74998.00	91299.00	54697.00	60370.00	71045.00	56348.00	63687.00	66484.00	77385.00	63656.00	56070.00	73769.00	69289.00	58339.00	66517.00	63770.00	81850.00	78662.00	52048.00	72856.00	66605.00	78965.00	179697.00	67649.00	63481.00	67091.00
C6 H O8 S Esi-2.9850004	418225.00	462587.00	468367.00	511809.00	466384.00	436955.00	471957.00	474345.00	1.00	511619.00	465882.00	484728.00	436877.00	514164.00	487132.00	471416.00	481715.00	1.00	503041.00	65431.00	502288.00	550321.00	1.00	496083.00	64077.00	502074.00	464269.00	456420.00	503134.00	559350.00
PS(21:0/18:2(9Z,12Z))	110526.00	99599.00	119474.00	123110.00	145860.00	117973.00	140872.00	85798.00	188532.00	72818.00	109087.00	80150.00	101985.00	61570.00	150938.00	116580.00	163580.00	59370.00	75068.00	210316.00	50398.00	77922.00	112985.00	101483.00	115243.00	101536.00	81491.00	119836.00	88640.00	154086.00
Magnoshinin	117304.00	99163.00	72282.00	73414.00	100941.00	77749.00	126348.00	70988.00	86403.00	163849.00	128417.00	115526.00	94256.00	77284.00	86806.00	69124.00	138953.00	89244.00	110328.00	134722.00	97689.00	79761.00	144753.00	109255.00	139316.00	89754.00	78159.00	109906.00	101979.00	64197.00
2-O-Caffeoylglucarate	44445.00	32266.00	32475.00	33095.00	35886.00	41267.00	30895.00	36536.00	51701.00	50306.00	17513.00	12347.00	15485.00	19929.00	14638.00	1.00	1.00	25305.00	19648.00	1.00	1.00	12622.00	13787.00	1.00	1.00	13751.00	114810.00	1.00	1.00	17806.00
Temoporfin	164859.00	120532.00	118045.00	128130.00	120407.00	112333.00	163842.00	103097.00	141508.00	164133.00	183322.00	162812.00	150869.00	94196.00	128825.00	147173.00	173560.00	129978.00	135476.00	202729.00	121318.00	109668.00	166982.00	113602.00	167371.00	101014.00	141828.00	155811.00	161338.00	96839.00
Sulfaphenazole Esi-1.0230002	233175.00	214081.00	219944.00	256703.00	250320.00	232423.00	200787.00	215448.00	238075.00	231482.00	48048.00	52104.00	38685.00	32948.00	43355.00	18155.00	16093.00	20229.00	47356.00	39147.00	47697.00	42359.00	39815.00	41915.00	39527.00	37063.00	31712.00	27046.00	19228.00	96978.00
1,4-Diamino-2-nitrobenzene	174080.00	148011.00	142344.00	161842.00	142655.00	149858.00	174689.00	147749.00	160843.00	154294.00	152338.00	172710.00	150995.00	138673.00	169324.00	166709.00	152680.00	175260.00	168065.00	160399.00	176275.00	157435.00	157487.00	159903.00	162981.00	166002.00	172633.00	154411.00	170412.00	156355.00
6,8-Dihydroxypurine	23627.00	40957.00	21036.00	63556.00	68431.00	47413.00	127029.00	66400.00	68245.00	17589.00	60665.00	169903.00	65053.00	25892.00	68423.00	122914.00	32396.00	84029.00	31809.00	123815.00	1.00	188595.00	61042.00	34382.00	35067.00	18219.00	24788.00	69932.00	113854.00	79851.00
PS(21:0/18:3(6Z,9Z,12Z))	52349.00	39235.00	81742.00	73769.00	79623.00	52596.00	61932.00	47681.00	103553.00	54293.00	109957.00	68469.00	82148.00	62410.00	72409.00	104634.00	99432.00	45155.00	22740.00	86340.00	62567.00	65435.00	184994.00	61414.00	53374.00	55866.00	65356.00	72146.00	70672.00	119574.00
5-(4-Hydroxybut-1-ynyl)-2,2'-bithiophene	182603.00	175202.00	245238.00	179689.00	284319.00	242832.00	139214.00	344784.00	163243.00	267287.00	129929.00	202166.00	144096.00	132987.00	173802.00	146816.00	257763.00	146588.00	124065.00	217942.00	198710.00	192999.00	154102.00	218586.00	237804.00	147849.00	172044.00	208380.00	114554.00	210268.00
C7 H4 N2 O4	64503.00	50041.00	51412.00	51917.00	48093.00	58358.00	61836.00	53724.00	49677.00	62559.00	64227.00	66693.00	52144.00	53009.00	58795.00	87255.00	60815.00	54720.00	56509.00	61960.00	176605.00	50038.00	53883.00	45959.00	58393.00	69135.00	45722.00	54201.00	56624.00	41581.00
C5 H5 N5 O3	46888.00	113005.00	46201.00	145492.00	89340.00	55711.00	76318.00	26837.00	105446.00	68616.00	94312.00	203130.00	107141.00	22519.00	94760.00	136826.00	57271.00	41579.00	40987.00	131274.00	1.00	155040.00	98210.00	82116.00	91775.00	44549.00	61958.00	37879.00	123419.00	115634.00
C3 H8 O S	70694.00	64494.00	68085.00	77264.00	73862.00	71101.00	58106.00	65690.00	72953.00	73006.00	14082.00	14902.00	1.00	1.00	13810.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13358.00	1.00	1.00	1.00	1.00	1.00	24160.00
PE(P-18:0/18:4(6Z,9Z,12Z,15Z))	141105.00	75756.00	106348.00	148951.00	146716.00	102896.00	83255.00	108836.00	149421.00	125695.00	146926.00	110084.00	138414.00	84222.00	85720.00	138249.00	121869.00	81297.00	86740.00	127039.00	70358.00	81785.00	166889.00	100841.00	138840.00	121265.00	146981.00	108726.00	117745.00	136795.00
PE(P-18:0/18:2(9Z,12Z))	94265.00	150087.00	92003.00	65359.00	55296.00	103653.00	78027.00	57466.00	68314.00	63901.00	46503.00	46546.00	55137.00	41973.00	58880.00	57680.00	42765.00	35418.00	58852.00	87473.00	15997.00	53660.00	26026.00	51148.00	91188.00	47284.00	40065.00	63613.00	59983.00	72227.00
Malate	121757.00	120500.00	122461.00	45384.00	34882.00	57701.00	63340.00	75812.00	123580.00	135777.00	115980.00	46565.00	63018.00	57843.00	57082.00	112563.00	115535.00	134446.00	39752.00	84477.00	51431.00	55380.00	59290.00	61690.00	152723.00	136820.00	170458.00	163279.00	146605.00	136483.00
C28 H9 N9 O21 Esi-3.291263	25108.00	1.00	1.00	394198.00	421834.00	18360.00	54583.00	1.00	1.00	1.00	44630.00	145892.00	1.00	26737.00	1.00	1.00	1.00	67039.00	140904.00	151322.00	97028.00	83335.00	103506.00	47422.00	1.00	48387.00	150995.00	15558.00	1.00	109908.00
L-Glyceric acid	37701.00	39663.00	37643.00	46864.00	40610.00	44750.00	34442.00	1.00	47432.00	33747.00	40782.00	32071.00	36694.00	38622.00	39619.00	31645.00	35873.00	34140.00	35562.00	38844.00	38722.00	37730.00	40296.00	39031.00	41984.00	40489.00	40597.00	37714.00	23576.00	43073.00
Acetylenedicarboxylate Esi-1.0750003	61548.00	563733.00	1345064.00	618057.00	274084.00	1297446.00	1325213.00	609826.00	41567.00	574738.00	634800.00	255797.00	1.00	597446.00	597117.00	624692.00	475812.00	1361431.00	616092.00	296900.00	1.00	666678.00	1419761.00	638502.00	644219.00	1.00	641334.00	1306240.00	653157.00	636007.00
L-Iditol	78862.00	182749.00	90743.00	144393.00	100080.00	78924.00	73745.00	47702.00	81293.00	183778.00	74353.00	66955.00	100274.00	61477.00	74258.00	179317.00	80393.00	130753.00	76475.00	136876.00	67349.00	60689.00	99475.00	88071.00	97146.00	55355.00	62239.00	106645.00	38801.00	243979.00
4-Chlorochalcone	43004.00	27619.00	38207.00	36732.00	44930.00	40640.00	30562.00	42197.00	45374.00	43888.00	13849.00	9968.00	12154.00	13473.00	10439.00	1.00	1.00	1.00	20870.00	1.00	1.00	13038.00	10309.00	1.00	1.00	27249.00	14240.00	1.00	1.00	27972.00
C4 H2 S3 Esi-5.126	99461.00	1.00	62984.00	59403.00	116953.00	1.00	1.00	1.00	51448.00	1.00	61571.00	1.00	1.00	60629.00	74637.00	37860.00	44030.00	1.00	56104.00	56368.00	1.00	127966.00	55539.00	62684.00	62872.00	1.00	117255.00	1.00	1.00	81485.00
C4 H2 S3 Esi-5.4010005	458582.00	227204.00	444839.00	462448.00	470123.00	450497.00	1.00	466717.00	419930.00	423100.00	427156.00	1.00	1.00	424815.00	1.00	411937.00	194656.00	129009.00	231448.00	204817.00	1.00	1.00	322318.00	211603.00	380503.00	209689.00	1.00	195317.00	1.00	377848.00
C30 H24 N4 O30 S2 Esi-3.2249997	1.00	1.00	693297.00	664212.00	1.00	1.00	1.00	1833452.00	1.00	184678.00	1.00	1.00	1.00	580372.00	1.00	365933.00	1.00	1005549.00	1.00	1.00	409794.00	1.00	109592.00	1.00	1.00	791934.00	108428.00	99052.00	1.00	245733.00
C29 H15 N2 O26 Esi-8.162941	38994.00	1.00	1.00	18668.00	24674.00	72739.00	30546.00	1.00	27935.00	1.00	11367.00	1.00	1.00	45473.00	27259.00	1.00	51630.00	1.00	138580.00	38902.00	1.00	26932.00	1.00	1.00	14886.00	21073.00	13136.00	1.00	188947.00	1.00
C3 H6 N3 S Esi-5.210999 :1	607864.00	380600.00	458461.00	477984.00	674899.00	484252.00	582781.00	305769.00	552690.00	411915.00	200455.00	464688.00	490486.00	374300.00	661791.00	456647.00	489377.00	646127.00	546890.00	576859.00	559376.00	488937.00	578115.00	467572.00	500548.00	659886.00	232461.00	148621.00	520571.00	540729.00
Sunitinib	123088.00	124111.00	119704.00	115613.00	103504.00	117899.00	99644.00	104569.00	107534.00	98651.00	98863.00	96112.00	94722.00	100651.00	89973.00	86014.00	87169.00	87740.00	92552.00	84766.00	95850.00	86593.00	84872.00	85193.00	80438.00	84866.00	84066.00	81785.00	86082.00	88186.00
C28 H9 N9 O21 Esi-1.028	1.00	1.00	1.00	1743044.00	1.00	1.00	1.00	1.00	167270.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	91199.00	33450.00	979123.00	1.00	1633360.00	1.00	1.00	1.00	1.00	1.00
C20 H10 N O7	28501.00	23358.00	29082.00	31707.00	31449.00	27342.00	22197.00	27048.00	28681.00	31409.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C9 H3 N2 O3	151060.00	148882.00	224220.00	160797.00	259699.00	217245.00	119137.00	316649.00	128930.00	242546.00	105724.00	171903.00	36570.00	109312.00	147117.00	117945.00	241894.00	118462.00	96955.00	199572.00	173486.00	164286.00	133375.00	194548.00	217894.00	103459.00	152772.00	184770.00	86398.00	185165.00
C31 H19 N8 O27 S	6013650.00	1.00	6021328.00	6880218.00	1.00	1.00	6405710.00	2225959.00	1.00	1.00	6171674.00	1.00	3328394.00	6009021.00	6070867.00	1.00	1884287.00	6291208.00	6478837.00	2568792.00	5846314.00	5954786.00	5721107.00	3183283.00	4951523.00	5252162.00	1.00	586758.00	2449238.00	400043.00
PE(18:1(6Z)/18:1(6Z))	73268.00	100107.00	63799.00	106033.00	67007.00	116583.00	72793.00	57602.00	133588.00	73048.00	51488.00	41871.00	57605.00	53822.00	72963.00	79214.00	83834.00	29254.00	55853.00	99660.00	28823.00	38122.00	40666.00	46274.00	101936.00	76471.00	55015.00	83687.00	55069.00	94448.00
C3 H6 N3 S Esi-4.518999 :1	1.00	532684.00	1.00	865101.00	742559.00	776168.00	555615.00	1.00	493819.00	877878.00	867151.00	597425.00	1255207.00	310587.00	370699.00	418428.00	433715.00	763904.00	387626.00	601899.00	556132.00	319566.00	374066.00	584144.00	1186625.00	43670.00	387391.00	856449.00	438550.00	401244.00
C17 H22 N10 O12	19476.00	14250.00	20991.00	26128.00	44959.00	1.00	71437.00	30703.00	20173.00	25512.00	12174.00	97604.00	21306.00	1.00	14335.00	71339.00	14218.00	31766.00	13286.00	115219.00	1.00	109428.00	39584.00	1.00	1.00	1.00	17713.00	28322.00	30755.00	48576.00
Propofol glucuronide	1.00	1.00	1.00	49547.00	46199.00	1.00	1.00	1.00	22965.00	1.00	25422.00	130303.00	37048.00	54539.00	38477.00	51627.00	1.00	1.00	1.00	40913.00	1.00	77835.00	1.00	1.00	34290.00	1.00	1.00	1.00	25011.00	1.00
Sulfuric acid	386626.00	357261.00	322050.00	334142.00	338870.00	388539.00	389562.00	352597.00	353729.00	387922.00	408958.00	329495.00	322918.00	428100.00	289979.00	306796.00	306839.00	354648.00	343970.00	401828.00	286771.00	372568.00	405331.00	350446.00	352521.00	333590.00	341895.00	318771.00	349924.00	380598.00
C3 H6 Cl2 N S	1.00	1.00	1.00	407725.00	1.00	1.00	1.00	1.00	1.00	652243.00	463322.00	1.00	1.00	1.00	1.00	567158.00	1.00	1.00	1.00	1.00	1.00	767731.00	1.00	1.00	510506.00	1.00	1.00	1.00	1.00	1.00
C23 H2 N2 O20 S	96556.00	124801.00	118247.00	125161.00	117717.00	119598.00	115145.00	125873.00	122639.00	116908.00	99543.00	122412.00	111158.00	104950.00	114734.00	119869.00	120121.00	116084.00	116592.00	117906.00	107776.00	103968.00	119233.00	125592.00	100109.00	104154.00	116184.00	116492.00	118890.00	109668.00
17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-(hydrogensuccinate)	107347.00	76311.00	61552.00	64085.00	95648.00	63950.00	105115.00	68616.00	76495.00	137608.00	113322.00	100156.00	77199.00	63589.00	69399.00	62818.00	124173.00	79090.00	96167.00	108650.00	87805.00	68556.00	128315.00	73953.00	120405.00	74009.00	67165.00	102447.00	89351.00	46277.00
5-(3-Buten-1-ynyl)-2,2'-bithiophene Esi-2.2550006	184265.00	172623.00	256513.00	179291.00	294231.00	257606.00	141708.00	373542.00	161287.00	274673.00	125564.00	209911.00	142672.00	133073.00	179153.00	149824.00	282499.00	151524.00	128002.00	225808.00	211461.00	210246.00	156686.00	235826.00	250738.00	154355.00	184107.00	222169.00	114317.00	226153.00
Gliotoxin	41690.00	37427.00	41566.00	51930.00	69640.00	31296.00	91489.00	59778.00	44522.00	55127.00	35417.00	109809.00	45460.00	14435.00	35864.00	93864.00	34661.00	60806.00	36893.00	126318.00	22271.00	123916.00	66995.00	30842.00	28092.00	1.00	43286.00	54752.00	58020.00	74259.00
4-Methyl-3-oxoadipate-enol-lactone	1.00	1.00	1.00	679015.00	592889.00	510643.00	1.00	1.00	1.00	645069.00	425327.00	132589.00	57724.00	491711.00	212216.00	257397.00	385496.00	1.00	1.00	1.00	1.00	1.00	1.00	136785.00	170416.00	1.00	268359.00	116883.00	1.00	1.00
Dextrin	27127.00	1.00	12489.00	39526.00	1.00	1.00	115297.00	27342.00	16749.00	1.00	1.00	22620.00	38381.00	1.00	1.00	15194.00	1.00	1.00	1.00	22455.00	1.00	17793.00	15781.00	1.00	16210.00	1.00	14876.00	1.00	24181.00	1.00
5,6-Indolequinone-2-carboxylic acid	84296.00	56345.00	78315.00	92609.00	92274.00	85255.00	73632.00	12437.00	97519.00	62421.00	71537.00	99943.00	87214.00	44474.00	103374.00	69331.00	107149.00	94403.00	83210.00	112296.00	31520.00	85756.00	130745.00	54539.00	106438.00	70330.00	123216.00	99542.00	12848.00	103228.00
Athamantin	78746.00	42616.00	38004.00	70742.00	60690.00	88198.00	89887.00	60686.00	42034.00	111349.00	85481.00	80903.00	42366.00	95258.00	52579.00	35164.00	91266.00	65009.00	113637.00	84184.00	82942.00	62382.00	96631.00	50358.00	110727.00	50708.00	32501.00	83135.00	75976.00	24406.00
3-oxo-adipic acid	199260.00	199780.00	87395.00	226779.00	223652.00	138029.00	197332.00	64110.00	186838.00	199275.00	231364.00	200490.00	224777.00	257595.00	131929.00	251575.00	282721.00	234729.00	113744.00	252218.00	120567.00	139152.00	185879.00	228435.00	236539.00	252432.00	267194.00	215711.00	196136.00	167325.00
C30 H24 N4 O30 S2 Esi-9.030999	1.00	1.00	1.00	58472.00	1.00	32816.00	1.00	1.00	23081.00	39537.00	1.00	1.00	36231.00	106266.00	1.00	1.00	1.00	1.00	1.00	1.00	49865.00	1.00	14594.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C14 H6 N4 O8	20086.00	1.00	1.00	21191.00	19904.00	18858.00	1.00	1.00	15346.00	21558.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C4 H2 O3 S2	132428.00	146927.00	157858.00	170846.00	149244.00	143043.00	143280.00	147299.00	159256.00	142624.00	136886.00	146306.00	130614.00	155827.00	138328.00	144424.00	95428.00	120393.00	120700.00	143256.00	126704.00	135191.00	143313.00	141175.00	133566.00	118730.00	122879.00	169709.00	116774.00	122493.00
C4 H2 S3 Esi-1.212	343185.00	334937.00	321910.00	740409.00	310302.00	306477.00	296449.00	409988.00	293809.00	283906.00	384728.00	1.00	211963.00	1.00	277260.00	259382.00	259370.00	269175.00	262368.00	188261.00	278783.00	254589.00	275108.00	256441.00	259222.00	249463.00	259115.00	216216.00	265205.00	343433.00
C4 H2 O3 S2 Esi-2.9179995	114008.00	88606.00	105433.00	72307.00	105151.00	110001.00	62277.00	100230.00	99060.00	95706.00	105146.00	67435.00	79234.00	111022.00	79534.00	73225.00	85253.00	79431.00	97441.00	71473.00	118515.00	78394.00	44278.00	108875.00	90034.00	394117.00	77111.00	90285.00	70147.00	85880.00
PE(O-16:0/18:3(9Z,12Z,15Z))	85142.00	110183.00	90347.00	58618.00	58544.00	106164.00	41104.00	40231.00	57615.00	107708.00	46468.00	41080.00	54043.00	30019.00	33014.00	53070.00	35069.00	24012.00	72763.00	64264.00	10680.00	40977.00	26916.00	40889.00	96209.00	37297.00	45126.00	38196.00	70439.00	48491.00
cis-1,2-Dihydroxy-1,2-dihydro-8-carboxynaphthalene	47078.00	68577.00	30407.00	98519.00	68809.00	73313.00	83960.00	35840.00	72588.00	84567.00	73415.00	105491.00	74725.00	82308.00	60634.00	90900.00	95585.00	78349.00	69477.00	106791.00	80492.00	102081.00	110167.00	73088.00	115003.00	45530.00	94725.00	79026.00	88543.00	124475.00
C30 H24 N4 O30 S2 Esi-7.568	43878.00	41607.00	1.00	55003.00	1.00	1.00	25168.00	1.00	1.00	1.00	1.00	1.00	19287.00	1.00	35146.00	1.00	1.00	1.00	93451.00	1.00	57681.00	1.00	44706.00	1.00	1.00	1.00	1.00	1.00	1.00	17044.00
Thioglycolate	92943.00	110222.00	96719.00	89686.00	92373.00	102726.00	98761.00	90953.00	90893.00	83259.00	91520.00	92202.00	109092.00	106183.00	104099.00	100756.00	105107.00	88122.00	104877.00	100449.00	94652.00	88490.00	86064.00	123440.00	89314.00	131749.00	100760.00	97256.00	91860.00	118974.00
C4 H2 S3 Esi-5.877999	371895.00	1.00	365525.00	371497.00	1.00	373863.00	1.00	1.00	1.00	1.00	1.00	1.00	127408.00	180235.00	348423.00	169941.00	323688.00	331333.00	165044.00	150308.00	176471.00	1.00	1.00	1.00	333077.00	1.00	335393.00	147053.00	1.00	327140.00
5-Nitro-ortho-anisidine Esi-7.141002	257208.00	64120.00	69955.00	51390.00	95092.00	77996.00	37008.00	58882.00	64467.00	60862.00	70795.00	156117.00	310926.00	70133.00	50866.00	201396.00	89877.00	215875.00	245238.00	82694.00	171596.00	68723.00	84960.00	77366.00	79153.00	259027.00	69972.00	70583.00	107634.00	99554.00
C6 H8 Cl	143571.00	99277.00	109891.00	122287.00	120954.00	107851.00	113232.00	71808.00	128862.00	94638.00	110191.00	102262.00	103228.00	164327.00	174468.00	116302.00	128010.00	154558.00	107592.00	122166.00	100275.00	96509.00	125736.00	149900.00	116766.00	157312.00	112798.00	104884.00	88370.00	122332.00
C12 H10 N4 S	41121.00	36238.00	39180.00	44890.00	45238.00	40721.00	36094.00	37381.00	42480.00	42036.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	17764.00
2-methylene-4-oxo-pentanedioic acid	23396.00	706206.00	206651.00	182498.00	532759.00	506821.00	239524.00	241843.00	137879.00	79897.00	495620.00	458778.00	555151.00	323380.00	512283.00	117501.00	246668.00	233445.00	288701.00	250861.00	828779.00	92111.00	14140.00	719508.00	331751.00	322603.00	424411.00	136566.00	713850.00	183865.00
Metalaxyl-M	65450.00	52939.00	63594.00	77520.00	63930.00	75158.00	94900.00	83663.00	82384.00	70134.00	81251.00	70353.00	84777.00	73126.00	99427.00	115027.00	46943.00	95089.00	76603.00	77846.00	61150.00	72657.00	75622.00	63729.00	68554.00	75372.00	116342.00	76441.00	85030.00	67799.00
C5 H O5 S	1.00	160405.00	1.00	158839.00	136619.00	167936.00	122655.00	1.00	265390.00	320547.00	256966.00	195282.00	183377.00	88737.00	208371.00	107709.00	211757.00	185089.00	78537.00	348491.00	157173.00	89959.00	360193.00	99205.00	104636.00	1.00	436098.00	105558.00	169091.00	50204.00
L-Lactic acid Esi-4.501 :1	1.00	807652.00	1.00	597177.00	771706.00	800582.00	869480.00	1.00	733030.00	580347.00	724501.00	1020854.00	729533.00	625235.00	639835.00	719555.00	1502873.00	1346640.00	209378.00	1111978.00	1129775.00	539471.00	1075916.00	699720.00	554917.00	1.00	148697.00	691082.00	785304.00	206453.00
C26 H14 N2 O4 S	24660.00	23899.00	26658.00	28853.00	28264.00	24224.00	21274.00	23862.00	23257.00	26908.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C29 H15 N2 O26 Esi-6.0229993	12060.00	1.00	1.00	16305.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	73275.00	1.00	1.00	1.00	119106.00	1.00	1.00	45857.00	1.00	25907.00	1.00	30823.00	1.00	1.00	21012.00	220834.00	1.00	1.00
PE(20:4(8Z,11Z,14Z,17Z)/P-18:0) Esi-5.1390014	87309.00	30844.00	32415.00	73917.00	76353.00	40787.00	40743.00	50327.00	40452.00	39181.00	81048.00	35951.00	61499.00	69574.00	39543.00	71675.00	70509.00	81905.00	28248.00	46792.00	56069.00	23261.00	118028.00	55262.00	59920.00	48082.00	98908.00	51063.00	47068.00	72460.00
Tuliposide B	144030.00	1.00	1.00	138240.00	1.00	157807.00	1.00	1.00	143638.00	184157.00	208376.00	1.00	1.00	123748.00	1.00	1.00	184963.00	191566.00	1.00	153057.00	1.00	1.00	272814.00	212040.00	173560.00	1.00	225195.00	1.00	1.00	153836.00
C3 H N O S3	52519.00	69869.00	56527.00	48331.00	43721.00	58957.00	46318.00	45493.00	60482.00	30043.00	31844.00	37515.00	99665.00	47546.00	51045.00	50954.00	43992.00	32703.00	43307.00	42719.00	56783.00	53968.00	28483.00	35852.00	71875.00	50716.00	58783.00	38740.00	26056.00	36559.00
PE(P-16:0/20:3(8Z,11Z,14Z))	80667.00	114516.00	95870.00	50906.00	56049.00	85839.00	55728.00	42953.00	79240.00	67982.00	64354.00	45408.00	60782.00	30632.00	49982.00	49670.00	45155.00	27924.00	49906.00	111929.00	15914.00	44447.00	36344.00	50985.00	89200.00	41882.00	40789.00	58977.00	59046.00	62641.00
3-oxo-adipic acid Esi-4.4820004	1.00	280343.00	1.00	600941.00	498032.00	464892.00	313913.00	1.00	817217.00	368596.00	665243.00	407029.00	129513.00	655085.00	332480.00	765756.00	262818.00	460708.00	72584.00	378327.00	427798.00	228630.00	382937.00	356530.00	760269.00	1.00	368578.00	640956.00	347968.00	164878.00
Ser His Gly Esi-7.1109977	124886.00	171491.00	186226.00	157502.00	192422.00	187685.00	122383.00	28201.00	163037.00	155581.00	177382.00	100002.00	164282.00	186007.00	153940.00	130731.00	206136.00	136105.00	147129.00	200147.00	103365.00	179842.00	188991.00	181667.00	184340.00	154695.00	166732.00	195922.00	56174.00	209182.00
Aclacinomycin S	101120.00	56922.00	50769.00	64837.00	59705.00	56323.00	88577.00	49396.00	71870.00	78274.00	106247.00	78316.00	77177.00	55112.00	74003.00	64285.00	94950.00	62647.00	78225.00	102168.00	59775.00	54319.00	83899.00	57331.00	97510.00	65237.00	60557.00	87251.00	79109.00	51837.00
C6 H O8 S Esi-2.0470006	72246.00	75463.00	64821.00	97470.00	88396.00	73593.00	93816.00	1.00	112883.00	55433.00	76993.00	81171.00	74584.00	68858.00	57312.00	99357.00	129555.00	71920.00	91186.00	76498.00	43957.00	59945.00	66739.00	77368.00	74835.00	56015.00	78265.00	57233.00	60147.00	64098.00
Etn-1-P-Cer(d14:1/18:0)	30852.00	35937.00	21422.00	53766.00	43583.00	40782.00	105239.00	38652.00	46616.00	20388.00	24973.00	42181.00	27923.00	24996.00	41384.00	46897.00	24667.00	23203.00	22741.00	55322.00	13404.00	43603.00	25553.00	17116.00	22880.00	38838.00	26186.00	27300.00	34787.00	39736.00
C29 H15 N2 O26 Esi-5.517	22931.00	1.00	17203.00	71299.00	1.00	1.00	17807.00	30502.00	24315.00	1.00	1.00	1.00	44076.00	1.00	1.00	1.00	1.00	1.00	1.00	33961.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	64434.00
C3 H6 N3 S Esi-4.1209993	1.00	1.00	1.00	411179.00	27186.00	1.00	1.00	1.00	45659.00	378045.00	750921.00	1.00	1.00	204141.00	24735.00	420304.00	508464.00	1.00	1.00	1197387.00	1.00	406944.00	523100.00	576654.00	287444.00	1.00	522808.00	572962.00	1.00	483039.00
Homogentisic acid	73955.00	62066.00	68331.00	69312.00	70824.00	66003.00	53681.00	68781.00	79302.00	80398.00	20539.00	19002.00	17734.00	22170.00	16343.00	1.00	1.00	1.00	27308.00	12681.00	16064.00	17763.00	19732.00	1.00	1.00	24009.00	19530.00	1.00	1.00	34646.00
?-D-Glucose Esi-4.9110007	336942.00	164950.00	579738.00	284034.00	161489.00	292913.00	76608.00	59853.00	255164.00	454900.00	232280.00	140080.00	145549.00	107665.00	182712.00	199886.00	79957.00	113180.00	101216.00	124999.00	81856.00	353744.00	397209.00	182865.00	320189.00	1.00	90648.00	213975.00	89355.00	163187.00
C3 H6 O2	1.00	450429.00	1.00	290646.00	223179.00	245590.00	208250.00	1.00	273919.00	207407.00	296999.00	1.00	197419.00	236234.00	265272.00	204418.00	249224.00	268889.00	254382.00	203456.00	244593.00	1.00	173296.00	1.00	268295.00	305671.00	225437.00	1.00	216258.00	404095.00
C6 H8 Cl Esi-4.518999	1.00	111036.00	1.00	143022.00	176551.00	204394.00	78054.00	1.00	135692.00	109791.00	249472.00	121690.00	195400.00	350963.00	171714.00	105057.00	114168.00	160333.00	29222.00	137279.00	125047.00	325702.00	154684.00	91069.00	152343.00	1.00	98052.00	226338.00	114234.00	99979.00
C27 H4 N3 O4	19366.00	15756.00	18284.00	20427.00	20678.00	19404.00	1.00	19578.00	20832.00	21860.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C27 H13 N5 O25	1.00	34115.00	42230.00	33611.00	48009.00	51971.00	37857.00	71445.00	1.00	1.00	68533.00	1.00	79459.00	130509.00	1.00	97012.00	14079.00	1.00	78675.00	57770.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	23857.00	1.00	1.00
2-methylene-4-oxo-pentanedioic acid Esi-5.4059987	89115.00	1.00	113788.00	117119.00	107224.00	135906.00	152016.00	1.00	86576.00	1.00	77615.00	128348.00	41502.00	1.00	131040.00	134226.00	75490.00	150738.00	53987.00	49316.00	1.00	80081.00	54136.00	1.00	139537.00	121476.00	110455.00	131448.00	1.00	117540.00
C10 H4 O4	212314.00	204654.00	296063.00	212626.00	345976.00	299501.00	158423.00	437014.00	193708.00	327003.00	149106.00	242353.00	165507.00	151510.00	206587.00	171068.00	317559.00	170134.00	140688.00	263860.00	238226.00	232094.00	177832.00	265642.00	290903.00	138299.00	204208.00	246727.00	130023.00	252571.00
C35 H8 O5	23278.00	19034.00	22867.00	26499.00	27520.00	22537.00	18858.00	22543.00	25099.00	26495.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
1H-Imidazole-1-acetic acid	38477.00	74729.00	82346.00	58155.00	98715.00	93836.00	30186.00	1.00	49293.00	40152.00	53658.00	24240.00	53316.00	54986.00	36886.00	33372.00	70726.00	34100.00	39794.00	71192.00	25541.00	54517.00	62352.00	52545.00	61082.00	44559.00	43889.00	57699.00	1.00	77038.00
Phytuberin Esi-4.511001	72516.00	56942.00	64327.00	77727.00	65479.00	71680.00	56391.00	55059.00	76616.00	54314.00	62980.00	40527.00	61184.00	37771.00	57994.00	68977.00	67670.00	40199.00	46763.00	73808.00	25152.00	33881.00	58651.00	50857.00	80613.00	70414.00	55474.00	68406.00	54772.00	83031.00
C4 H2 N3 O5 S	16017.00	11632.00	1.00	50115.00	86663.00	1.00	1.00	1.00	1.00	1.00	1.00	31491.00	1.00	1.00	10645.00	1.00	1.00	1.00	16353.00	55870.00	18735.00	12402.00	1.00	1.00	1.00	1.00	21082.00	10819.00	1.00	32046.00
Aminoparathion	26431.00	25948.00	32706.00	46429.00	55204.00	35172.00	66727.00	33086.00	49134.00	29845.00	42772.00	92887.00	42210.00	21461.00	47802.00	64986.00	38709.00	45744.00	28974.00	95985.00	1.00	75138.00	47270.00	31246.00	43195.00	13430.00	38075.00	48803.00	52368.00	48512.00
C13 H25 N O3	24225.00	48539.00	23162.00	45921.00	14333.00	28990.00	35159.00	15301.00	11767.00	23202.00	8834.00	10203.00	30103.00	39238.00	15054.00	18491.00	27399.00	9865.00	1.00	70813.00	34566.00	1.00	40745.00	92474.00	24169.00	25382.00	38185.00	28264.00	9182.00	67206.00
C30 H24 N4 O30 S2 Esi-8.563	26020.00	1.00	1.00	38270.00	1.00	17585.00	1.00	32522.00	1.00	1.00	32458.00	1.00	1.00	1.00	1.00	1.00	1.00	29613.00	1.00	33115.00	1.00	23275.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C4 H2 O3 S2 Esi-7.735	96299.00	182706.00	88940.00	151829.00	53088.00	86564.00	97667.00	86782.00	93624.00	104077.00	184735.00	116830.00	86159.00	51488.00	72883.00	81094.00	163511.00	94125.00	76210.00	77861.00	64358.00	111827.00	93069.00	92178.00	62075.00	113747.00	114542.00	86558.00	63177.00	65540.00
Cer(d18:0/18:1(11Z))	43989.00	49223.00	46381.00	57290.00	99886.00	50545.00	45784.00	40026.00	44366.00	30088.00	42590.00	25394.00	20153.00	25340.00	27693.00	32870.00	28268.00	35326.00	24997.00	31634.00	30799.00	31601.00	29317.00	44037.00	44861.00	20075.00	23957.00	53621.00	37216.00	48296.00
2-(m-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane Esi-5.613999	1.00	810578.00	779700.00	793530.00	1.00	782798.00	778660.00	858652.00	1.00	795548.00	739335.00	776099.00	789508.00	1.00	1.00	1.00	1.00	1.00	1.00	815963.00	1.00	720736.00	1.00	778000.00	706481.00	780677.00	815683.00	802124.00	813820.00	744999.00
C23 H4 N O25 S	70194.00	78970.00	74183.00	80047.00	70765.00	78217.00	76039.00	85420.00	80879.00	77364.00	73016.00	72222.00	79746.00	72480.00	81551.00	78946.00	79486.00	76307.00	78621.00	83020.00	73957.00	72524.00	71650.00	82128.00	73864.00	73877.00	86321.00	70524.00	82309.00	76761.00
C6 H O8 S Esi-2.9879992	416923.00	470014.00	461636.00	517870.00	391786.00	435963.00	490562.00	486027.00	521875.00	516757.00	472369.00	444187.00	436783.00	520543.00	486779.00	495301.00	495217.00	514886.00	457063.00	104560.00	513167.00	540132.00	456592.00	496091.00	500784.00	517224.00	471647.00	451656.00	493687.00	561633.00
Cer(d18:1/24:1(15Z))	56632.00	57419.00	37494.00	60554.00	96092.00	59165.00	56286.00	59430.00	54247.00	42137.00	44749.00	39352.00	36558.00	35504.00	42798.00	42718.00	31011.00	35228.00	31733.00	35152.00	21217.00	34185.00	28607.00	32265.00	39560.00	39621.00	30919.00	42505.00	46613.00	48164.00
Citiolone	1.00	103626.00	1.00	19435.00	148561.00	44856.00	109399.00	1.00	52362.00	119309.00	121064.00	134618.00	277507.00	74917.00	67934.00	47040.00	90009.00	156559.00	43907.00	430186.00	116486.00	130925.00	84187.00	56167.00	392948.00	1.00	163091.00	95084.00	118841.00	33428.00
C8 H5 O7 S Esi-5.333	44969.00	57846.00	36424.00	26920.00	65915.00	1.00	58334.00	1.00	1.00	77268.00	1.00	62405.00	70190.00	43738.00	68602.00	1.00	1.00	67891.00	52016.00	35019.00	63540.00	1.00	28272.00	68791.00	28426.00	40673.00	82277.00	1.00	53703.00	1.00
C3 H5 N4 O4 S	72352.00	63875.00	75487.00	67449.00	68862.00	66210.00	69433.00	40481.00	66847.00	63297.00	65697.00	79057.00	74621.00	55648.00	80362.00	62760.00	76139.00	80514.00	82412.00	73672.00	47552.00	69690.00	76203.00	61039.00	72907.00	82628.00	78431.00	76375.00	30701.00	71874.00
Quercetin 7-(6''-galloylglucoside)	18993.00	16265.00	22569.00	25867.00	43087.00	13407.00	60335.00	31796.00	23387.00	26145.00	13916.00	71126.00	23074.00	1.00	16267.00	58751.00	15700.00	36146.00	15649.00	73690.00	1.00	72417.00	42173.00	1.00	1.00	1.00	20443.00	30059.00	33463.00	47195.00
C28 H9 N9 O21 Esi-7.363	1.00	1.00	1.00	22556.00	1.00	1.00	25125.00	20528.00	29952.00	1.00	1.00	1.00	25390.00	1.00	85319.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	25212.00	14724.00	1.00	45988.00
Glycolaldehyde	15613.00	13479.00	1.00	51142.00	91247.00	1.00	1.00	1.00	1.00	1.00	1.00	36245.00	1.00	1.00	12995.00	1.00	1.00	1.00	19072.00	60770.00	17071.00	15901.00	1.00	1.00	1.00	1.00	24677.00	11954.00	1.00	35658.00
17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carboxylic acid, gamma-lactone	16609.00	22131.00	13711.00	10741.00	18884.00	25186.00	15306.00	11518.00	18334.00	15249.00	12015.00	24135.00	15950.00	16294.00	17345.00	26900.00	15288.00	12546.00	11922.00	20140.00	22813.00	13452.00	13360.00	24372.00	21827.00	26862.00	77057.00	17732.00	13498.00	19596.00
p-Hydroxytiaprofenic acid	25709.00	20326.00	26468.00	29659.00	43833.00	17542.00	54962.00	29224.00	26947.00	28148.00	20295.00	69874.00	26942.00	1.00	18255.00	57149.00	18391.00	34286.00	19361.00	77359.00	1.00	83735.00	45061.00	15758.00	17459.00	1.00	21231.00	30882.00	34596.00	47673.00
Resiniferatoxin	85830.00	47934.00	46694.00	52962.00	48556.00	47515.00	73114.00	42994.00	55888.00	67107.00	84627.00	63860.00	58528.00	44345.00	58882.00	55069.00	79193.00	55187.00	69839.00	79872.00	53072.00	44768.00	68052.00	45262.00	82785.00	52009.00	48840.00	71680.00	66574.00	41274.00
2-Oxo-3-hydroxy-4-phosphobutanoate	64355.00	59126.00	58783.00	24458.00	16325.00	28475.00	30271.00	36845.00	58962.00	64298.00	53492.00	19692.00	30045.00	25946.00	25372.00	54057.00	58241.00	66684.00	22280.00	40274.00	26398.00	30479.00	24007.00	31329.00	73134.00	63606.00	83313.00	73659.00	74786.00	70240.00
4,6-Dihydroxysulfadiazine	22131.00	19384.00	23553.00	39764.00	41046.00	23552.00	53916.00	25670.00	38178.00	22374.00	30184.00	81405.00	33711.00	15098.00	36278.00	54166.00	27663.00	33034.00	21192.00	81564.00	1.00	70988.00	36374.00	24056.00	30415.00	11049.00	27852.00	35817.00	39006.00	36087.00
F-Honaucin A Esi-4.4660006	1.00	131244.00	1.00	519619.00	167793.00	170862.00	73709.00	1.00	1.00	557931.00	506703.00	388853.00	143365.00	503701.00	177045.00	1.00	543597.00	638403.00	1.00	547997.00	313959.00	538554.00	219496.00	169988.00	1.00	1.00	573522.00	1.00	145955.00	1.00
C4 H2 S3 Esi-5.400001	1.00	1.00	444839.00	462448.00	470123.00	1.00	194685.00	466717.00	433611.00	423100.00	427193.00	1.00	116229.00	424815.00	1.00	411937.00	369313.00	1.00	208459.00	204817.00	1.00	1.00	322318.00	215104.00	380620.00	209689.00	349208.00	355605.00	1.00	377848.00
Propanethial S-oxide	34417.00	40818.00	38014.00	34486.00	56731.00	37600.00	28664.00	30937.00	37238.00	41935.00	36298.00	31221.00	35762.00	34187.00	32654.00	32765.00	43148.00	29720.00	31955.00	38848.00	29117.00	69589.00	34494.00	36390.00	33866.00	36606.00	39858.00	41395.00	24958.00	34680.00
C4 H2 S3 Esi-0.948	647847.00	137799.00	122992.00	580119.00	581545.00	546600.00	340202.00	122183.00	107809.00	562934.00	126856.00	110273.00	531633.00	110706.00	523319.00	491032.00	102270.00	106949.00	102802.00	308128.00	109190.00	461277.00	106833.00	520288.00	100058.00	452430.00	111087.00	100122.00	106775.00	499796.00
PE(P-18:0/20:3(5Z,8Z,11Z))	88324.00	67387.00	39627.00	47122.00	55687.00	56471.00	46693.00	41832.00	50808.00	34754.00	52083.00	26357.00	46826.00	37115.00	51349.00	42337.00	45267.00	51308.00	34897.00	67433.00	21058.00	23940.00	37846.00	40529.00	59807.00	35625.00	40588.00	49293.00	35551.00	59035.00
C30 H24 N4 O30 S2 Esi-6.0348825	34153.00	1.00	34027.00	25492.00	1.00	1.00	1.00	398589.00	1.00	1.00	22614.00	879206.00	37912.00	68808.00	1.00	1.00	249494.00	1.00	1.00	190200.00	55660.00	67624.00	1.00	46395.00	186426.00	282623.00	416581.00	131936.00	1.00	1.00
Creatinine	26108.00	28044.00	26033.00	68714.00	54087.00	40833.00	25650.00	1.00	120681.00	71204.00	60664.00	31637.00	40136.00	45921.00	36564.00	70168.00	59768.00	25445.00	18082.00	59266.00	14839.00	140884.00	42545.00	50816.00	80222.00	23103.00	49907.00	53267.00	16279.00	108943.00
13Z-octadecenoic acid	39549.00	29085.00	25244.00	32250.00	33686.00	14913.00	36814.00	28451.00	43717.00	27461.00	50081.00	43332.00	58587.00	24501.00	37640.00	38365.00	25260.00	22278.00	25132.00	76141.00	19137.00	32490.00	18278.00	17519.00	24244.00	17257.00	34093.00	23753.00	31138.00	33047.00
C28 H9 N9 O21 Esi-8.959	26276.00	1.00	1.00	22908.00	1.00	34765.00	1.00	1.00	21319.00	45357.00	1.00	1.00	80572.00	48906.00	1.00	13876.00	1.00	1.00	64765.00	1.00	16993.00	1.00	1.00	1.00	1.00	9623.00	1.00	1.00	1.00	33717.00
C5 H5 Cl O S	232424.00	85749.00	146297.00	255892.00	255287.00	516716.00	125803.00	1.00	54915.00	279667.00	290041.00	405623.00	456906.00	118357.00	290960.00	232582.00	290380.00	568916.00	302663.00	237816.00	1.00	218370.00	193242.00	46978.00	553080.00	309376.00	565796.00	289093.00	46260.00	61596.00
N-Acetyl-L-phenylalanine	27488.00	25364.00	20906.00	34602.00	36854.00	70791.00	20591.00	1.00	31976.00	26112.00	46898.00	13543.00	20603.00	27568.00	29787.00	38255.00	21397.00	27355.00	23488.00	40817.00	23609.00	25652.00	30524.00	29541.00	35157.00	20966.00	55326.00	36386.00	1.00	78664.00
L-Glyceric acid Esi-7.1230006	44791.00	40549.00	49683.00	48417.00	40994.00	56690.00	44309.00	24771.00	50555.00	43851.00	52081.00	40387.00	35586.00	48181.00	47373.00	45279.00	52764.00	37349.00	37195.00	53910.00	33515.00	45059.00	54242.00	45338.00	45775.00	37637.00	46767.00	33263.00	30272.00	54080.00
Sedoheptulose	54178.00	59459.00	40662.00	120794.00	67944.00	85823.00	1.00	1.00	72573.00	151849.00	73902.00	56275.00	67805.00	1.00	1.00	74889.00	1.00	1.00	1.00	1.00	1.00	115803.00	131012.00	55078.00	100931.00	1.00	1.00	81136.00	1.00	69403.00
C5 H8 N O9	15094.00	11930.00	13436.00	16503.00	14577.00	13629.00	16579.00	15302.00	16369.00	15042.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14111.00
C28 H9 N9 O21 Esi-3.9486995	71988.00	52497.00	246230.00	61026.00	1.00	1.00	25237.00	1.00	8233.00	147484.00	32073.00	313266.00	54229.00	1.00	1.00	69261.00	1.00	104772.00	1.00	141009.00	118697.00	1.00	28520.00	59445.00	121843.00	120767.00	60599.00	1.00	1.00	138246.00
DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0/0:0)	70393.00	59476.00	64472.00	63525.00	59656.00	64352.00	64459.00	65039.00	73105.00	72404.00	62889.00	63765.00	67840.00	62373.00	60826.00	67431.00	68032.00	68833.00	74957.00	69967.00	66755.00	54293.00	70759.00	69324.00	67189.00	73963.00	73246.00	68569.00	70558.00	74769.00
5-O-Feruloylquinic acid	17279.00	31471.00	1.00	58393.00	22255.00	28254.00	53094.00	1.00	32591.00	31626.00	36236.00	63947.00	36006.00	39624.00	28387.00	58559.00	41132.00	40308.00	35311.00	63550.00	28469.00	58469.00	71127.00	28056.00	54075.00	15076.00	49110.00	32032.00	57119.00	68853.00
C6 H4 N5 O5	15359.00	16243.00	1.00	21160.00	14733.00	19141.00	16579.00	19467.00	20026.00	21920.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14034.00
C4 H2 O3 S2 Esi-3.075999	182126.00	219438.00	230213.00	130190.00	193533.00	256585.00	201413.00	425470.00	252250.00	291840.00	201705.00	182970.00	117909.00	127862.00	395328.00	242232.00	361430.00	198868.00	228258.00	299285.00	222599.00	242801.00	217684.00	361193.00	84659.00	489160.00	283317.00	239354.00	183749.00	272418.00
C42 H6 N4 O	1.00	1.00	1.00	16915.00	19492.00	1.00	1.00	1.00	1.00	16133.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C4 H3 N3 S3	140652.00	156113.00	1.00	159691.00	147891.00	169346.00	1.00	167481.00	175981.00	207415.00	1.00	1.00	153779.00	159710.00	1.00	161737.00	1.00	1.00	158757.00	215576.00	172187.00	47069.00	1.00	1.00	142873.00	166404.00	168641.00	165580.00	173422.00	199019.00
Otonecine	26847.00	27720.00	20915.00	35459.00	35358.00	66541.00	21766.00	1.00	27830.00	24267.00	47247.00	16557.00	20447.00	26742.00	28169.00	42326.00	21272.00	28926.00	25308.00	37138.00	25107.00	23858.00	30712.00	29396.00	32942.00	21283.00	52248.00	36693.00	1.00	69590.00
Diguanosine pentaphosphate	27405.00	1.00	27434.00	25517.00	55981.00	1.00	85544.00	18551.00	97427.00	1.00	19985.00	1.00	1.00	75638.00	1.00	1.00	1.00	1.00	1.00	1.00	55660.00	80109.00	97984.00	19740.00	143757.00	1.00	1.00	1.00	40023.00	1.00
C5 H2 O6 S	1.00	1.00	1.00	199684.00	1.00	1.00	1.00	1.00	1.00	1.00	145294.00	1.00	107550.00	129954.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	118370.00	1.00	1.00	1.00	112644.00	1.00	1.00
F-Honaucin A Esi-5.1679997	1.00	91627.00	46084.00	108079.00	126199.00	100295.00	93553.00	1.00	155100.00	118556.00	131533.00	90617.00	115316.00	1.00	1.00	130538.00	128166.00	1.00	1.00	1.00	47604.00	121863.00	155387.00	134289.00	111463.00	1.00	1.00	1.00	78689.00	148818.00
Citiolone Esi-5.192001	77720.00	65917.00	47038.00	83497.00	124661.00	62094.00	59584.00	50901.00	73862.00	68077.00	88895.00	70974.00	115188.00	71362.00	72816.00	44405.00	45504.00	75719.00	73189.00	34039.00	69045.00	68083.00	137013.00	113399.00	68962.00	115468.00	124691.00	67114.00	66755.00	77753.00
C37 H14 O4	21535.00	16683.00	17923.00	22448.00	21140.00	17009.00	15271.00	18128.00	18249.00	20220.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C30 H24 N4 O30 S2 Esi-1.205	1.00	1.00	1.00	904941.00	1.00	1.00	1.00	1.00	337207.00	1.00	1.00	257691.00	5730983.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	480937.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1906700.00
PS(17:0/22:4(7Z,10Z,13Z,16Z))	45874.00	46590.00	40066.00	50315.00	52915.00	53642.00	42516.00	37736.00	59405.00	49909.00	46779.00	34884.00	44848.00	42523.00	44543.00	43125.00	47455.00	40814.00	39811.00	61274.00	24818.00	37716.00	47739.00	40851.00	60592.00	44408.00	45079.00	45889.00	46630.00	52279.00
Quinine Ethyl Carbonate	28138.00	25291.00	28534.00	24281.00	29465.00	57450.00	14416.00	39482.00	26754.00	36295.00	16870.00	29561.00	18111.00	10740.00	1.00	17156.00	24002.00	11666.00	1.00	38008.00	17664.00	22554.00	9378.00	20503.00	32765.00	16257.00	28774.00	32367.00	1.00	33177.00
13C6-phe	66101.00	66035.00	69378.00	70785.00	68794.00	69201.00	72251.00	71209.00	66329.00	72405.00	65439.00	67592.00	68856.00	65401.00	65042.00	67930.00	66680.00	69472.00	68316.00	71492.00	63663.00	68838.00	69501.00	71360.00	67759.00	67808.00	68403.00	73258.00	69665.00	66716.00
Gemfibrozil, metabolite II	33509.00	23247.00	29078.00	25637.00	28887.00	35242.00	16788.00	28465.00	22829.00	21897.00	18575.00	24062.00	20887.00	18171.00	14488.00	24940.00	32938.00	17693.00	17234.00	29016.00	22484.00	22445.00	15617.00	17121.00	29181.00	27909.00	28791.00	36139.00	14750.00	22533.00
PI(18:0/20:3(8Z,11Z,14Z))	87691.00	79980.00	65402.00	76093.00	90693.00	77066.00	59883.00	66489.00	96596.00	55104.00	59156.00	43129.00	60315.00	47109.00	62720.00	64232.00	68329.00	60148.00	71744.00	73903.00	39409.00	42581.00	41296.00	75292.00	75506.00	70013.00	49302.00	77286.00	62587.00	70902.00
4Z,7Z,10Z,13Z-hexadecatetraenoic acid	443912.00	387581.00	316903.00	397123.00	368895.00	404996.00	270684.00	475125.00	334399.00	306173.00	314203.00	402775.00	465041.00	316617.00	320449.00	404892.00	546264.00	386772.00	325863.00	350778.00	425282.00	295609.00	246855.00	368245.00	421967.00	472409.00	574354.00	516892.00	358553.00	370091.00
PI(20:2(11Z,14Z)/16:0)	44697.00	67477.00	38489.00	48828.00	48958.00	66255.00	49424.00	49497.00	64475.00	39368.00	32384.00	26511.00	38395.00	34874.00	42434.00	42148.00	51069.00	22332.00	46392.00	59276.00	22828.00	21327.00	27307.00	34156.00	56916.00	48951.00	36810.00	49768.00	37905.00	51959.00
C5 H O5 S Esi-4.488999	1.00	160405.00	1.00	282585.00	227348.00	215110.00	122337.00	1.00	265682.00	313543.00	254884.00	195282.00	203841.00	88737.00	215158.00	107709.00	340358.00	184944.00	78537.00	353431.00	78340.00	345480.00	342921.00	99218.00	101296.00	1.00	340112.00	105558.00	169091.00	340622.00
5-Methylangelicin	1.00	1.00	27896.00	56929.00	48948.00	61264.00	1.00	1.00	45718.00	1.00	47693.00	66780.00	64897.00	25304.00	1.00	56061.00	65273.00	1.00	21028.00	58361.00	13863.00	44259.00	1.00	18338.00	57785.00	1.00	34415.00	47776.00	22974.00	46442.00
2-Mercaptobenzothiazole	1.00	96653.00	1.00	167658.00	131250.00	121517.00	113120.00	1.00	106788.00	210117.00	183469.00	122067.00	71350.00	188553.00	141033.00	218073.00	76857.00	144753.00	80733.00	49506.00	128758.00	151130.00	80318.00	173528.00	208307.00	1.00	196542.00	65353.00	95201.00	181353.00
His His Asn	40196.00	34776.00	26352.00	25730.00	36500.00	26526.00	45426.00	25132.00	30299.00	55753.00	45915.00	40862.00	34149.00	29169.00	31706.00	26182.00	50103.00	31249.00	39964.00	48535.00	35769.00	28294.00	51714.00	38034.00	48882.00	32602.00	28881.00	38909.00	36238.00	24205.00
C29 H15 N2 O26 Esi-5.8450007	24645.00	1.00	29839.00	17209.00	1.00	1.00	38940.00	24578.00	1.00	1.00	15800.00	1.00	36815.00	43888.00	1.00	1.00	1.00	1.00	1.00	39608.00	26956.00	1.00	34666.00	31453.00	1.00	1.00	1.00	244361.00	1.00	91960.00
(+)-Serradiol	26395.00	18922.00	23410.00	21287.00	28172.00	10541.00	28252.00	18975.00	59268.00	27531.00	49702.00	35496.00	47187.00	12729.00	25540.00	47013.00	19897.00	20977.00	13700.00	53374.00	1.00	22535.00	37605.00	16662.00	19631.00	12604.00	39407.00	22036.00	58014.00	34008.00
C5 H4 N3 O S3	1.00	1.00	12812.00	12516.00	1.00	1.00	1.00	1.00	23498.00	20128.00	1.00	1.00	1.00	1.00	1.00	1.00	63100.00	1.00	13678.00	1.00	12823.00	1.00	25890.00	1.00	13259.00	1.00	1.00	1.00	1.00	52792.00
C3 H2 N3 O2	1.00	1.00	1.00	89474.00	199310.00	1.00	1.00	1.00	1.00	1.00	359024.00	1.00	238833.00	296280.00	1.00	23501.00	1.00	196085.00	1.00	199832.00	1.00	1.00	30551.00	294701.00	1.00	1.00	1.00	286799.00	1.00	144133.00
Citalopram aldehyde	33043.00	31866.00	35883.00	37596.00	42461.00	30198.00	54010.00	40371.00	34147.00	40438.00	29090.00	55901.00	37779.00	17633.00	37707.00	53374.00	32348.00	47966.00	36342.00	66013.00	21861.00	58009.00	39999.00	30061.00	24136.00	1.00	40771.00	44922.00	45428.00	44938.00
Flupropanate	98749.00	113757.00	84162.00	106822.00	88856.00	95126.00	97469.00	41160.00	85880.00	98701.00	112854.00	99345.00	107320.00	108497.00	101168.00	100425.00	115997.00	101006.00	142190.00	115363.00	133621.00	112527.00	111627.00	127567.00	116279.00	114007.00	129757.00	113495.00	98858.00	151836.00
Doisynoestrol	32482.00	28158.00	33681.00	27561.00	27387.00	35891.00	34552.00	24534.00	30294.00	27708.00	28236.00	28597.00	29533.00	32386.00	27210.00	35175.00	38542.00	25825.00	32873.00	25754.00	31763.00	31027.00	29876.00	36929.00	39768.00	40090.00	54542.00	34845.00	28778.00	31796.00
C6 H O8 S Esi-1.0690001	27208.00	30423.00	49691.00	20547.00	53268.00	49282.00	47481.00	46054.00	21683.00	42402.00	30735.00	27241.00	64623.00	50752.00	67647.00	44804.00	27240.00	49502.00	41577.00	125991.00	89163.00	41367.00	22658.00	27302.00	18591.00	28287.00	8256.00	62564.00	54769.00	10611.00
5-Fluoromuconolactone	56152.00	51126.00	42333.00	57176.00	40433.00	48531.00	48962.00	27031.00	58751.00	58376.00	61140.00	36953.00	49527.00	53506.00	34880.00	46312.00	43855.00	43947.00	44360.00	56077.00	44067.00	62675.00	63446.00	40207.00	51027.00	50214.00	57608.00	55156.00	25475.00	54487.00
C6 H8 Cl Esi-4.518999 :1	1.00	113909.00	1.00	143333.00	176389.00	273023.00	104028.00	1.00	130549.00	118768.00	87177.00	121753.00	195334.00	350963.00	172973.00	107939.00	113366.00	243792.00	91645.00	108198.00	125633.00	79664.00	348975.00	90993.00	152226.00	1.00	100740.00	226097.00	114497.00	99131.00
Cer(d18:0/18:1(11Z)) Esi-1.1130004	25641.00	27640.00	27638.00	33304.00	65723.00	28343.00	24536.00	23501.00	24840.00	16365.00	23693.00	13113.00	9634.00	13574.00	13966.00	17059.00	16400.00	19131.00	13911.00	16510.00	16877.00	16257.00	14440.00	21858.00	23207.00	10992.00	12431.00	30722.00	21115.00	25060.00
C15 H5 N2 O2	13958.00	1.00	1.00	57543.00	25848.00	33475.00	31289.00	1.00	1.00	1.00	53063.00	1.00	21960.00	49114.00	33208.00	1.00	1.00	1.00	1.00	61382.00	1.00	1.00	18615.00	24665.00	45656.00	1.00	21531.00	19747.00	1.00	32011.00
C6 H6 N3 O9	131512.00	131481.00	162374.00	126177.00	178778.00	160659.00	107128.00	200942.00	120821.00	129426.00	107698.00	141226.00	115147.00	107180.00	124990.00	109859.00	162511.00	114474.00	102187.00	145066.00	140360.00	134186.00	120474.00	156038.00	162898.00	120245.00	132327.00	146453.00	97413.00	145256.00
PS(P-20:0/19:1(9Z))	62060.00	55007.00	33864.00	40524.00	39611.00	47803.00	48982.00	28993.00	37393.00	19440.00	31946.00	22031.00	29972.00	28826.00	43140.00	41891.00	32138.00	32672.00	23943.00	34621.00	11159.00	23764.00	22270.00	26786.00	39734.00	31691.00	26095.00	31503.00	27485.00	46290.00
C3 H2 N3 O3	61023.00	62758.00	65516.00	65939.00	61720.00	56534.00	60766.00	66358.00	61428.00	59409.00	58751.00	61150.00	63960.00	62430.00	61119.00	63795.00	62783.00	61789.00	60400.00	63548.00	60983.00	61968.00	63731.00	63498.00	51707.00	59650.00	63412.00	61211.00	61452.00	62547.00
C31 H20 N8 O26 S2	59800.00	50093.00	39944.00	49897.00	1.00	37787.00	1.00	1.00	1.00	39140.00	28742.00	1.00	36184.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	41832.00	1.00	19051.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
Bromacil	78239.00	76847.00	118753.00	82329.00	137303.00	116587.00	64135.00	169488.00	70611.00	127667.00	55385.00	98663.00	63671.00	37908.00	76629.00	70238.00	136508.00	65747.00	1.00	107327.00	90357.00	94210.00	69256.00	108544.00	116961.00	60813.00	80027.00	101719.00	1.00	103159.00
3-oxo-adipic acid Esi-4.481001	1.00	278307.00	1.00	78294.00	498236.00	465356.00	313237.00	1.00	369691.00	368582.00	665243.00	407029.00	128809.00	655247.00	329659.00	85266.00	102756.00	461010.00	71592.00	378327.00	426843.00	239740.00	382886.00	356530.00	760269.00	1.00	830115.00	365983.00	347968.00	836073.00
C17 H4 N O21 S	257395.00	116618.00	107097.00	39534.00	210854.00	258820.00	236700.00	277727.00	37561.00	218437.00	61044.00	47375.00	271276.00	95108.00	86577.00	92871.00	279594.00	294423.00	153268.00	124839.00	271175.00	267664.00	55038.00	51738.00	168146.00	55920.00	26104.00	87467.00	93860.00	32594.00
Cer(d18:1/24:1(15Z)) Esi-1.1000003	32621.00	31828.00	20920.00	33981.00	55241.00	31567.00	27459.00	35520.00	30960.00	24721.00	22478.00	21440.00	17881.00	17318.00	20569.00	22410.00	16487.00	18611.00	19178.00	17418.00	13245.00	17671.00	16219.00	18961.00	20426.00	21666.00	17329.00	26008.00	24875.00	25094.00
9,10-epoxy-13-hydroxy-11-octadecenoic acid	1.00	1.00	1.00	55189.00	28484.00	42513.00	17925.00	32932.00	1.00	1.00	1.00	1.00	17213.00	48053.00	29366.00	13831.00	13449.00	35143.00	39973.00	26099.00	26219.00	44930.00	20446.00	12123.00	27874.00	12437.00	1.00	14587.00	19626.00	1.00
Sulfacetamide	16491.00	24035.00	1.00	38214.00	19926.00	24508.00	34912.00	1.00	22795.00	26024.00	26624.00	42570.00	26361.00	30268.00	18389.00	35916.00	32233.00	29185.00	25144.00	40793.00	25373.00	40866.00	46663.00	25075.00	43018.00	14550.00	33533.00	26756.00	32662.00	48427.00
C30 H24 N4 O30 S2 Esi-4.1170635	1.00	146937.00	95420.00	163651.00	1.00	1.00	1.00	136235.00	1.00	75584.00	82571.00	470158.00	1.00	1.00	1.00	1.00	1.00	1.00	469313.00	316750.00	121666.00	377496.00	54197.00	124410.00	187998.00	323741.00	1.00	1.00	1.00	30838.00
C5 H O5 S Esi-5.166	50716.00	35900.00	36394.00	46431.00	49203.00	23420.00	36939.00	29363.00	26959.00	30629.00	63290.00	109452.00	40871.00	37928.00	33323.00	36507.00	37577.00	50197.00	53600.00	31196.00	88910.00	62002.00	38860.00	35753.00	27446.00	56949.00	43753.00	50417.00	60945.00	33798.00
C31 H20 N8 O26 S2 Esi-4.8419995	1.00	39009.00	1.00	50833.00	1.00	52393.00	1.00	34915.00	1.00	1.00	125535.00	1.00	1.00	1.00	1.00	1.00	14276.00	10719.00	1.00	1.00	1.00	24404.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C4 H6 N3 O4	198787.00	199780.00	58548.00	145971.00	223652.00	138029.00	198656.00	38802.00	252556.00	199275.00	231847.00	200490.00	224816.00	257166.00	131929.00	251830.00	281909.00	235441.00	113633.00	252133.00	120567.00	139166.00	290345.00	228422.00	236111.00	252432.00	267194.00	215865.00	196145.00	162967.00
F-Honaucin A Esi-4.598	1.00	190325.00	1.00	301207.00	260863.00	245325.00	87483.00	1.00	381963.00	329455.00	315730.00	1.00	299324.00	503740.00	775055.00	496996.00	324587.00	640385.00	1.00	669350.00	318215.00	1.00	78272.00	139518.00	1.00	1.00	1.00	1.00	199585.00	1.00
C10 H5 Cl N6	1.00	1.00	1.00	10760.00	10553.00	1.00	1.00	11894.00	1.00	11343.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C8 H5 O7 S Esi-5.1160007	98965.00	1.00	51788.00	86759.00	1.00	67596.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	101567.00	143071.00	1.00	1.00	1.00	28189.00
F-Honaucin A Esi-4.594001	1.00	190325.00	1.00	301207.00	260863.00	245325.00	87483.00	1.00	1.00	329479.00	315730.00	1.00	299324.00	503742.00	775055.00	496996.00	1.00	640385.00	1.00	1.00	318215.00	1.00	78272.00	139518.00	1.00	1.00	1.00	1.00	199585.00	1.00
C3 H6 N3 S Esi-5.209	608185.00	380600.00	457551.00	363253.00	683717.00	190518.00	304868.00	307992.00	232532.00	407521.00	688427.00	421618.00	449524.00	421205.00	664473.00	454869.00	266714.00	643305.00	548246.00	576859.00	293335.00	488937.00	578247.00	446366.00	338354.00	658858.00	487836.00	168263.00	518266.00	226722.00
C4 H2 S3 Esi-4.6069994	61870.00	39671.00	64949.00	49761.00	43822.00	101731.00	39988.00	75744.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	30491.00	1.00	69197.00	1.00	1.00	1.00	35352.00	1.00	1.00	39681.00	39166.00	25529.00
4-Hydroxyethinylestradiol Esi-2.8700001	35437.00	32665.00	35864.00	16844.00	35038.00	43603.00	18774.00	39637.00	37018.00	33546.00	37876.00	14933.00	34431.00	41911.00	25844.00	23765.00	34585.00	24074.00	25092.00	16810.00	32456.00	29352.00	17431.00	35346.00	27940.00	54899.00	24791.00	31085.00	28137.00	1.00
C29 H15 N2 O26 Esi-5.3037047	25737.00	13591.00	15548.00	71299.00	1.00	42761.00	57434.00	27367.00	35471.00	43189.00	64434.00	1.00	75785.00	1.00	1.00	1.00	151894.00	31688.00	1.00	26665.00	1.00	32095.00	1.00	1.00	25046.00	1.00	1.00	1.00	1.00	117609.00
4-Sulfobenzyl alcohol	18134.00	43509.00	18470.00	56595.00	13224.00	21221.00	30700.00	1.00	1.00	9095.00	14402.00	19627.00	34613.00	1.00	12214.00	11891.00	1.00	10323.00	1.00	1.00	1.00	1.00	47530.00	1.00	28647.00	1.00	20514.00	9945.00	1.00	1.00
C8 H5 O7 S Esi-4.588714	1.00	484562.00	1.00	467877.00	1.00	111858.00	612711.00	1.00	1.00	495050.00	469667.00	681461.00	1.00	1.00	539393.00	635210.00	1.00	870446.00	1.00	1.00	744360.00	1.00	548513.00	1.00	1.00	1.00	561945.00	1.00	616438.00	1.00
C30 H24 N4 O30 S2 Esi-8.366153	25526.00	1.00	1.00	73509.00	1.00	17585.00	17079.00	25945.00	23449.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	39869.00	1.00	165117.00	57376.00	1.00	23275.00	1.00	1.00	1.00	12695.00	11559.00	1.00	119719.00	1.00
C28 H9 N9 O21 Esi-8.916	22506.00	1.00	29444.00	23409.00	1.00	39025.00	1.00	1.00	22662.00	49575.00	1.00	1.00	83357.00	11826.00	1.00	14612.00	1.00	1.00	69312.00	1.00	12045.00	1.00	1.00	24976.00	1.00	8962.00	1.00	1.00	1.00	38405.00
2,6-Dihydroxynicotinate	14040.00	11364.00	1.00	17509.00	14675.00	23083.00	17809.00	53854.00	11448.00	11580.00	13031.00	12798.00	16077.00	13675.00	12745.00	23005.00	11086.00	29609.00	13233.00	14821.00	13107.00	14667.00	14217.00	12844.00	29298.00	15503.00	49076.00	12955.00	13477.00	1.00
C8 H3 N2 O2	26760.00	26687.00	22825.00	30662.00	23277.00	25467.00	25118.00	1.00	33611.00	26126.00	23131.00	21138.00	21878.00	20015.00	41377.00	31497.00	32122.00	19093.00	1.00	27823.00	1.00	25985.00	28332.00	28645.00	26466.00	1.00	20964.00	19643.00	1.00	31891.00
C4 H3 N3 S3 Esi-2.9879992	178967.00	155248.00	172271.00	164216.00	146050.00	169346.00	161216.00	174270.00	175244.00	212797.00	189454.00	158449.00	164320.00	164745.00	158124.00	156413.00	206536.00	192308.00	165024.00	216021.00	171956.00	47028.00	162231.00	157073.00	1.00	161780.00	185270.00	157691.00	171192.00	180959.00
C4 H5 Cl N O	86173.00	91709.00	104308.00	87235.00	105686.00	103012.00	79914.00	127244.00	86839.00	110709.00	71609.00	91376.00	79161.00	77379.00	87850.00	80146.00	106484.00	83928.00	72868.00	101930.00	83763.00	84618.00	79919.00	96252.00	88871.00	78847.00	84297.00	97798.00	1.00	90988.00
C3 H3 N O2	97429.00	69938.00	168027.00	114744.00	77356.00	106892.00	1.00	1.00	83118.00	131907.00	70355.00	1.00	62625.00	1.00	1.00	85490.00	1.00	1.00	1.00	53913.00	1.00	97568.00	101371.00	58882.00	95097.00	1.00	1.00	82302.00	1.00	64088.00
C8 H12 O11	30885.00	23221.00	18798.00	38755.00	27778.00	21442.00	40512.00	18285.00	22215.00	19732.00	17980.00	41263.00	24720.00	19946.00	37654.00	43504.00	31711.00	24149.00	23580.00	51287.00	39151.00	42341.00	28818.00	38805.00	19770.00	34609.00	33215.00	20084.00	35872.00	33663.00
Dimethyl trisulfide	18211.00	86023.00	87636.00	35382.00	48819.00	21411.00	70906.00	86486.00	38710.00	58460.00	76752.00	37541.00	85346.00	75035.00	90914.00	66565.00	75493.00	86285.00	77141.00	66655.00	78830.00	1.00	79511.00	89045.00	76799.00	84286.00	60260.00	78342.00	80431.00	77448.00
5-Fluoromuconolactone Esi-7.117997	36116.00	54360.00	52408.00	49107.00	70831.00	47563.00	34896.00	15711.00	42654.00	37686.00	38124.00	27054.00	45760.00	35831.00	40462.00	31757.00	41178.00	45637.00	30768.00	47887.00	26866.00	45088.00	39554.00	38519.00	38687.00	31526.00	35051.00	42513.00	16661.00	48543.00
Lys-Lys-OH	32903.00	27280.00	23443.00	25919.00	27965.00	14892.00	28875.00	23424.00	34684.00	20844.00	35910.00	30613.00	41722.00	19329.00	27018.00	28381.00	16528.00	18008.00	19647.00	43252.00	13841.00	23182.00	13402.00	14733.00	18295.00	11080.00	23535.00	15867.00	21267.00	23361.00
3-oxo-adipic acid Esi-4.119	1.00	1.00	1.00	269389.00	182096.00	12960.00	1.00	1.00	1.00	173085.00	113408.00	1.00	112255.00	140007.00	12665.00	408580.00	443185.00	1.00	1.00	167264.00	1.00	298077.00	323589.00	105344.00	183892.00	1.00	1.00	273907.00	1.00	75598.00
C5 H O5 S Esi-4.488999 :1	1.00	160405.00	1.00	158663.00	137611.00	52869.00	122963.00	1.00	17354.00	105881.00	256460.00	156271.00	183377.00	95054.00	208632.00	107709.00	211752.00	185363.00	78537.00	347519.00	157433.00	93114.00	69395.00	99200.00	101865.00	1.00	81742.00	105558.00	169091.00	59818.00
4-Hydroxyethinylestradiol Esi-2.058999	33861.00	32502.00	33882.00	36593.00	35180.00	36095.00	44928.00	30709.00	43947.00	32221.00	53278.00	38749.00	33192.00	43865.00	32618.00	44169.00	34583.00	43071.00	39103.00	38853.00	31197.00	36998.00	37009.00	35565.00	42376.00	39126.00	46230.00	36342.00	39755.00	35632.00
Buthiobate	43536.00	29225.00	29968.00	31903.00	31441.00	32343.00	32571.00	29982.00	30945.00	35996.00	40739.00	35483.00	29374.00	29991.00	32303.00	31484.00	38999.00	30636.00	32985.00	36569.00	34567.00	27603.00	37209.00	26466.00	38508.00	28530.00	29505.00	34388.00	34204.00	23025.00
Phenylboronic acid	19335.00	34056.00	17216.00	40817.00	22277.00	38611.00	27066.00	1.00	39153.00	36435.00	60950.00	20271.00	41185.00	27942.00	39009.00	29217.00	29936.00	25472.00	18395.00	68148.00	14822.00	41416.00	54721.00	36020.00	52708.00	14431.00	49437.00	28541.00	1.00	45467.00
C3 H6 N3 S Esi-5.210999 :2	607840.00	380512.00	456908.00	511809.00	684493.00	484252.00	582473.00	307200.00	336054.00	413857.00	513139.00	413504.00	449524.00	364025.00	661599.00	452594.00	510152.00	647946.00	546968.00	576859.00	558772.00	489017.00	577683.00	447301.00	500429.00	659886.00	232461.00	148621.00	518120.00	300240.00
C6 H8 Cl Esi-5.2059994	142722.00	92565.00	109181.00	105642.00	120649.00	160798.00	112768.00	71366.00	124488.00	90790.00	109635.00	102262.00	103339.00	96964.00	108724.00	115288.00	126827.00	153921.00	107759.00	137814.00	99177.00	96649.00	193875.00	94746.00	117337.00	156293.00	109699.00	103471.00	88172.00	121844.00
C12 H6 N4 O6	10131.00	1.00	20601.00	9592.00	20912.00	10564.00	1.00	22101.00	12078.00	10947.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
Flupropanate Esi-8.936001	26772.00	28208.00	28953.00	29610.00	31162.00	29552.00	26914.00	1.00	31403.00	29434.00	29936.00	18898.00	26342.00	25924.00	38054.00	33786.00	32179.00	23763.00	1.00	27983.00	17473.00	24207.00	30030.00	31061.00	23711.00	1.00	18243.00	23671.00	1.00	29028.00
C4 H7 N3 O	26108.00	28003.00	26033.00	68994.00	48827.00	40802.00	25666.00	1.00	80028.00	71204.00	71552.00	35703.00	40302.00	45921.00	36913.00	88022.00	68599.00	25491.00	20347.00	57616.00	15577.00	124427.00	42951.00	53848.00	108922.00	23025.00	51627.00	68534.00	16279.00	113574.00
C6 H8 Cl Esi-5.2070003	143252.00	99386.00	109084.00	122301.00	120686.00	107300.00	113232.00	71366.00	128184.00	94669.00	110294.00	102451.00	103228.00	163924.00	113485.00	116302.00	127745.00	154558.00	129061.00	122917.00	100143.00	96293.00	127674.00	98999.00	117006.00	157312.00	112812.00	104884.00	88370.00	122397.00
Bioresmethrin	44609.00	37747.00	40964.00	47882.00	42434.00	39701.00	35802.00	30240.00	35851.00	26124.00	35938.00	36246.00	47362.00	33602.00	35665.00	37192.00	33087.00	31983.00	31608.00	41400.00	31720.00	26261.00	27801.00	27097.00	28001.00	46794.00	34683.00	36500.00	37394.00	35085.00
4-Hydroxyethinylestradiol Esi-1.1089997	39596.00	38694.00	39267.00	44227.00	40650.00	44030.00	27628.00	39057.00	40006.00	38597.00	39884.00	41378.00	42298.00	46966.00	39244.00	45144.00	37396.00	38361.00	38047.00	45773.00	26161.00	43455.00	37346.00	46253.00	36641.00	43856.00	42921.00	47365.00	43714.00	51335.00
(E)-2-Butenyl-4-methyl-threonine	36134.00	14769.00	1.00	46717.00	14197.00	1.00	1.00	15722.00	10454.00	1.00	1.00	11575.00	40048.00	1.00	1.00	1.00	20297.00	1.00	1.00	1.00	39661.00	1.00	1.00	23197.00	1.00	43187.00	14439.00	36181.00	1.00	14714.00
C8 H3 N2 O2 Esi-7.6840014	45846.00	31142.00	28036.00	40393.00	32375.00	39091.00	38676.00	1.00	46309.00	36728.00	41089.00	25986.00	35296.00	35673.00	40780.00	39240.00	31751.00	35745.00	30118.00	32493.00	30028.00	40595.00	46785.00	101928.00	36347.00	40330.00	39982.00	37277.00	20494.00	40616.00
4-Sulfolactone	145939.00	156602.00	157883.00	148078.00	150674.00	148315.00	151913.00	154686.00	141827.00	156385.00	147182.00	146055.00	149228.00	144311.00	141582.00	148065.00	142440.00	153420.00	149482.00	144361.00	154155.00	148810.00	151276.00	153925.00	152278.00	146596.00	149703.00	157604.00	147947.00	145099.00
2-methylene-4-oxo-pentanedioic acid Esi-5.4059987 :1	127330.00	1.00	121859.00	117119.00	135318.00	117227.00	153244.00	1.00	73235.00	52462.00	79414.00	101230.00	41502.00	1.00	126842.00	131119.00	74203.00	142009.00	82062.00	49090.00	1.00	79314.00	30239.00	1.00	153216.00	124230.00	104081.00	34015.00	1.00	166968.00
C44 H89 N O10 S2	20226.00	17002.00	30849.00	32303.00	32190.00	19850.00	30140.00	19489.00	34742.00	16852.00	36872.00	39713.00	27363.00	16835.00	31613.00	45342.00	38646.00	14491.00	1.00	32088.00	17094.00	36190.00	40039.00	17965.00	18826.00	20128.00	20490.00	25125.00	29165.00	46119.00
2-Hydroxyhepta-2,4-dienedioate	11917.00	10404.00	1.00	30987.00	48078.00	1.00	1.00	1.00	1.00	1.00	1.00	24751.00	1.00	1.00	10325.00	1.00	1.00	1.00	17003.00	38715.00	14922.00	11555.00	1.00	1.00	1.00	1.00	18002.00	1.00	1.00	25449.00
C30 H19 N6 O27 S2	44016.00	54858.00	35396.00	78778.00	175617.00	159552.00	128500.00	146296.00	188729.00	163365.00	110166.00	277884.00	69600.00	87900.00	47731.00	49884.00	127148.00	190184.00	173210.00	53707.00	134416.00	152283.00	63472.00	1.00	101100.00	42458.00	129661.00	45089.00	103945.00	1.00
C15 H2 O17 Esi-5.9430003	137289.00	280048.00	286166.00	157906.00	1.00	1.00	1.00	286833.00	67385.00	1.00	262232.00	1.00	1.00	1.00	119910.00	37788.00	310847.00	163008.00	56874.00	75250.00	46038.00	305633.00	280827.00	70538.00	314095.00	1.00	1.00	1.00	39905.00	1.00
Imetit	85220.00	87071.00	63351.00	57898.00	61134.00	27189.00	31944.00	27040.00	111203.00	53570.00	63479.00	56548.00	52687.00	55074.00	59647.00	106149.00	48821.00	105227.00	77764.00	107797.00	94445.00	54450.00	86088.00	57709.00	61595.00	109877.00	65163.00	42889.00	53613.00	76268.00
Onitin	516148.00	463006.00	377328.00	471402.00	430491.00	465492.00	317847.00	542628.00	393792.00	370205.00	378831.00	488433.00	544925.00	371200.00	378240.00	473510.00	660469.00	447108.00	396121.00	398436.00	494687.00	350556.00	303662.00	448862.00	490391.00	565110.00	682859.00	600623.00	421428.00	428238.00
C4 H5 Cl N O Esi-5.322999	19848.00	1.00	26209.00	43318.00	1.00	136481.00	1.00	21010.00	138680.00	72848.00	33578.00	1.00	38036.00	1.00	17643.00	44747.00	87004.00	1.00	1.00	76352.00	92471.00	36899.00	247816.00	1.00	48429.00	80526.00	43758.00	1.00	48522.00	1.00
Pyroglutamic acid	1.00	22617.00	21032.00	19201.00	38093.00	33779.00	1.00	1.00	24213.00	1.00	19949.00	1.00	1.00	20625.00	1.00	1.00	26532.00	1.00	1.00	29817.00	1.00	20328.00	25296.00	1.00	22002.00	1.00	1.00	16457.00	1.00	31124.00
C3 H2 N O4	50316.00	54812.00	53978.00	56204.00	55288.00	47888.00	55117.00	54352.00	51470.00	53561.00	50735.00	51622.00	53375.00	52166.00	56860.00	54272.00	50403.00	51542.00	50170.00	53537.00	53904.00	49280.00	51022.00	53147.00	53098.00	53066.00	56032.00	57527.00	58137.00	57862.00
C5 H N3 O7 S	108759.00	116036.00	94926.00	92551.00	91122.00	113407.00	102215.00	110962.00	106366.00	110014.00	114918.00	109689.00	17747.00	1.00	1.00	102864.00	1.00	106443.00	108985.00	97226.00	126852.00	115996.00	102720.00	93311.00	1.00	1.00	103032.00	96840.00	107549.00	105787.00
Thiouracil	1.00	1.00	14725.00	22704.00	15065.00	1.00	27258.00	12091.00	19194.00	1.00	16055.00	32048.00	17228.00	1.00	17252.00	29901.00	1.00	1.00	1.00	31272.00	1.00	46434.00	1.00	1.00	1.00	1.00	1.00	1.00	24838.00	14358.00
C4 H5 Cl N O Esi-5.8247843	41676.00	42503.00	61368.00	67244.00	40258.00	71197.00	1.00	49993.00	81320.00	80487.00	57938.00	49971.00	68474.00	112814.00	48260.00	67949.00	75206.00	80855.00	79582.00	84222.00	1.00	54198.00	79170.00	69153.00	65053.00	70627.00	70870.00	39307.00	34207.00	21699.00
C16 H28 N3 O3	1.00	1.00	1.00	41331.00	11893.00	24702.00	1.00	23392.00	1.00	1.00	1.00	1.00	1.00	30243.00	26024.00	1.00	1.00	22325.00	30681.00	11979.00	14996.00	35595.00	1.00	1.00	16546.00	10684.00	1.00	1.00	11870.00	1.00
C28 H9 N9 O21 Esi-8.532273	41115.00	15925.00	28590.00	31220.00	1.00	1.00	1.00	15458.00	1.00	1.00	43926.00	17134.00	1.00	1.00	1.00	1.00	28402.00	30335.00	1.00	33482.00	1.00	1.00	25965.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
2-amino-4-cyano-butanoic acid	1.00	27951.00	31231.00	24004.00	49270.00	40706.00	1.00	1.00	20215.00	1.00	23380.00	1.00	1.00	21542.00	1.00	1.00	27692.00	1.00	1.00	30449.00	1.00	1.00	22704.00	1.00	23607.00	1.00	1.00	24101.00	1.00	32450.00
5-Hydroxyisourate	1.00	28602.00	1.00	34459.00	21811.00	15886.00	18344.00	1.00	24278.00	17106.00	25923.00	54780.00	26493.00	1.00	24318.00	33607.00	15085.00	1.00	1.00	36383.00	1.00	44257.00	22629.00	19728.00	19380.00	1.00	17063.00	1.00	30285.00	30350.00
Linoleic acid	22368.00	15395.00	14482.00	22057.00	23193.00	12479.00	31601.00	15456.00	23920.00	20104.00	26072.00	29515.00	33792.00	11830.00	27286.00	27366.00	20563.00	17525.00	15196.00	41692.00	10858.00	20973.00	16101.00	13314.00	27390.00	12130.00	19662.00	18044.00	26712.00	23508.00
C3 H2 Cl O	194918.00	205135.00	205657.00	204787.00	199689.00	201374.00	195668.00	215148.00	206009.00	202756.00	192761.00	191809.00	191070.00	190786.00	199991.00	195745.00	199214.00	197385.00	194559.00	193869.00	198600.00	192628.00	193872.00	195806.00	197195.00	198048.00	202519.00	88676.00	200598.00	183766.00
Propanethial S-oxide Esi-7.3450003	19393.00	1.00	1.00	15085.00	1.00	13567.00	12771.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11292.00	13760.00	1.00	1.00	1.00	1.00	1.00	20045.00	14752.00	15996.00	1.00	1.00	1.00	1.00	25421.00
Cer(d18:1/18:1(11Z))	31535.00	32395.00	32005.00	40777.00	47853.00	35171.00	29683.00	26320.00	29751.00	17642.00	36621.00	26666.00	20252.00	29448.00	23928.00	38021.00	27749.00	24414.00	18553.00	30756.00	18225.00	21093.00	25035.00	33062.00	39605.00	15615.00	20699.00	34529.00	27106.00	42897.00
2-(Acetamidomethylene)succinate	1.00	19264.00	1.00	36543.00	39099.00	47843.00	1.00	1.00	49500.00	27037.00	50843.00	1.00	1.00	31931.00	1.00	1.00	1.00	1.00	1.00	53609.00	1.00	27083.00	25656.00	29751.00	32468.00	1.00	30067.00	1.00	1.00	32576.00
C5 H O5 S Esi-5.317001	40348.00	41006.00	33122.00	36054.00	46544.00	1.00	30183.00	25828.00	27604.00	30505.00	24631.00	1.00	31455.00	32040.00	36960.00	29194.00	57285.00	35158.00	45062.00	56401.00	88910.00	44670.00	29858.00	32922.00	29578.00	45409.00	52208.00	25356.00	42046.00	31757.00
C6 H O8 S Esi-2.0470006 :1	63630.00	77590.00	49438.00	96262.00	70055.00	63606.00	90114.00	39315.00	95569.00	55315.00	91628.00	82182.00	54241.00	68114.00	54482.00	88544.00	128057.00	54372.00	84980.00	74322.00	62586.00	57892.00	87986.00	82103.00	72664.00	72620.00	75200.00	55927.00	59641.00	73993.00
C8 S2	145710.00	273371.00	151376.00	146300.00	158179.00	154785.00	105816.00	236715.00	144430.00	81197.00	136580.00	136432.00	72255.00	92327.00	108464.00	166782.00	104070.00	175248.00	105456.00	119596.00	58934.00	121629.00	106012.00	132807.00	127438.00	79858.00	190366.00	159477.00	167958.00	179707.00
C3 H4 N2 O5 S	261316.00	284598.00	279025.00	280630.00	275818.00	261288.00	261285.00	296990.00	282968.00	307414.00	321539.00	327290.00	319297.00	321355.00	325250.00	312168.00	330374.00	338373.00	343490.00	340318.00	338809.00	371966.00	331212.00	338171.00	332426.00	360648.00	358512.00	365566.00	343613.00	358875.00
C6 H O8 S Esi-2.9929996	516939.00	528015.00	516795.00	504860.00	432182.00	459391.00	544625.00	567846.00	1.00	611649.00	632963.00	524034.00	592654.00	599642.00	627132.00	1.00	573519.00	539458.00	477248.00	581211.00	529587.00	542217.00	1.00	524364.00	597152.00	500631.00	534934.00	561973.00	607324.00	656529.00
Dimethyl trisulfide Esi-1.275	90267.00	96639.00	77148.00	45359.00	48819.00	20226.00	71138.00	86486.00	42469.00	80461.00	85727.00	37581.00	85346.00	83758.00	81865.00	67198.00	75666.00	35852.00	79945.00	23930.00	78812.00	1.00	79841.00	89045.00	76851.00	84286.00	37347.00	78182.00	88056.00	77635.00
C6 H O8 S Esi-1.2623569	120366.00	65042.00	56621.00	65144.00	41658.00	54570.00	55872.00	56567.00	76661.00	125421.00	46241.00	1.00	50235.00	54048.00	62275.00	10873.00	73605.00	59113.00	56098.00	52908.00	52263.00	26998.00	1.00	78073.00	25334.00	65592.00	8453.00	56280.00	72349.00	88824.00
Dimethylaminoethyl reserpilinate	17286.00	9581.00	14292.00	17264.00	17831.00	15259.00	26771.00	11489.00	23641.00	27260.00	30388.00	10351.00	30772.00	16347.00	27961.00	18680.00	34264.00	21386.00	13707.00	25982.00	19179.00	14354.00	42426.00	26456.00	13481.00	16375.00	29811.00	28076.00	15196.00	27562.00
Pseudouridine Esi-2.2350004	16320.00	38372.00	23306.00	25309.00	21373.00	25592.00	28464.00	1.00	40854.00	15880.00	22183.00	21026.00	22040.00	14775.00	17566.00	20234.00	16986.00	1.00	13391.00	29130.00	1.00	37131.00	14968.00	16596.00	30152.00	15584.00	21124.00	13131.00	14351.00	22106.00
PE(18:2(9Z,12Z)/19:1(9Z))	31007.00	18061.00	25607.00	26619.00	14954.00	24471.00	15646.00	15820.00	29830.00	29151.00	37166.00	11519.00	17660.00	22669.00	22857.00	33143.00	24430.00	1.00	1.00	20968.00	22315.00	1.00	22523.00	23399.00	26436.00	27716.00	26390.00	21718.00	12728.00	40279.00
C6 H O8 S Esi-0.9969998	25636.00	41422.00	22292.00	13105.00	30332.00	34584.00	22724.00	25411.00	21608.00	98924.00	31665.00	13927.00	41875.00	22814.00	32250.00	44804.00	26471.00	17944.00	24773.00	136665.00	20898.00	75452.00	24151.00	23838.00	9691.00	27124.00	12749.00	42580.00	19933.00	11761.00
C5 H O4 S	100296.00	28837.00	61229.00	23754.00	69201.00	21592.00	29155.00	26801.00	28237.00	30091.00	106244.00	41353.00	29630.00	117653.00	38626.00	29413.00	25683.00	37227.00	68548.00	118713.00	106640.00	32977.00	41889.00	107619.00	99241.00	49749.00	113315.00	1.00	37255.00	70975.00
C8 H12 N2 O12	1.00	1.00	15439.00	26830.00	24406.00	1.00	36888.00	21446.00	17776.00	17136.00	1.00	45615.00	16674.00	1.00	1.00	38920.00	1.00	21515.00	1.00	48449.00	1.00	48873.00	30288.00	1.00	1.00	1.00	16580.00	19861.00	29597.00	27631.00
Cucumopine	1.00	1.00	12324.00	18246.00	21283.00	13298.00	26949.00	13131.00	21255.00	11190.00	15666.00	38860.00	16285.00	1.00	15749.00	24587.00	12964.00	16631.00	1.00	36869.00	1.00	30756.00	17565.00	11892.00	16305.00	1.00	14852.00	16983.00	20376.00	18350.00
Pregna-4,16-diene-3,11,20-trione Esi-2.058999	28011.00	32855.00	36156.00	35406.00	31637.00	56834.00	31779.00	27755.00	39837.00	27867.00	36492.00	32832.00	29993.00	22801.00	28184.00	38795.00	31288.00	32023.00	36562.00	31401.00	34936.00	36981.00	35765.00	31405.00	34145.00	35476.00	40548.00	30647.00	34419.00	35168.00
C5 H13 N5 O6	38027.00	39314.00	39949.00	38481.00	38443.00	42409.00	42299.00	43066.00	39110.00	41241.00	39585.00	39158.00	41360.00	38435.00	43680.00	40236.00	42895.00	41332.00	39296.00	42580.00	38409.00	40600.00	40691.00	41997.00	41514.00	42172.00	41067.00	43988.00	41660.00	41805.00
PS(19:0/16:0)	23904.00	16835.00	28347.00	16385.00	24627.00	28108.00	11910.00	15024.00	44467.00	1.00	28749.00	14765.00	29211.00	20033.00	20539.00	33473.00	16724.00	1.00	11506.00	18978.00	13791.00	16848.00	16558.00	22291.00	21133.00	19545.00	12562.00	15159.00	18205.00	29523.00
2-methylene-4-oxo-pentanedioic acid Esi-5.1499996	235499.00	589328.00	206439.00	170921.00	545292.00	134541.00	241796.00	231274.00	201559.00	82710.00	649858.00	351860.00	387860.00	729303.00	424760.00	99979.00	210058.00	239713.00	160055.00	132237.00	123719.00	465788.00	239549.00	714729.00	157361.00	318720.00	212177.00	183236.00	736190.00	508480.00
4-Methyl-3-oxoadipate-enol-lactone Esi-4.8150005	1.00	333602.00	1.00	154661.00	1.00	1.00	360487.00	1.00	1.00	290022.00	267545.00	411981.00	244645.00	169733.00	275197.00	192164.00	1.00	290237.00	201503.00	357777.00	275187.00	1.00	436029.00	1.00	1.00	48119.00	1.00	1.00	323815.00	337013.00
C6 H5 Cl S	173666.00	191565.00	190658.00	184988.00	95755.00	185292.00	130323.00	190821.00	32267.00	183348.00	29555.00	28812.00	177872.00	177623.00	30308.00	1.00	182640.00	184501.00	81926.00	191572.00	177866.00	178569.00	174701.00	183462.00	174724.00	180711.00	26809.00	182851.00	183915.00	91171.00
Hypoxanthine Esi-2.736	167446.00	255245.00	313210.00	472667.00	381425.00	275644.00	624932.00	298842.00	470577.00	131293.00	382954.00	803352.00	423478.00	164739.00	415217.00	813922.00	219955.00	255058.00	228736.00	715742.00	41614.00	1230611.00	301017.00	124832.00	256965.00	67094.00	195654.00	284264.00	614225.00	326342.00
Pregna-4,16-diene-3,11,20-trione Esi-1.1219999	42300.00	40303.00	41765.00	41210.00	40105.00	44814.00	21461.00	42186.00	38542.00	34024.00	39112.00	41537.00	40974.00	38055.00	43271.00	39368.00	43903.00	42817.00	39634.00	44290.00	43795.00	43483.00	27997.00	45012.00	40832.00	45732.00	48480.00	42515.00	41770.00	47845.00
C43 H75 N3 O3	29121.00	25888.00	18157.00	27497.00	43122.00	31338.00	24123.00	29335.00	23409.00	14870.00	25032.00	24872.00	19841.00	22212.00	25636.00	27560.00	13669.00	15846.00	13811.00	14598.00	10749.00	18907.00	16095.00	18267.00	19645.00	18432.00	17854.00	20523.00	26769.00	25745.00
C4 H2 O3 S2 Esi-4.485	35230.00	29134.00	40930.00	30874.00	1.00	1.00	1.00	37584.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	28256.00	1.00	1.00	1.00	1.00	1.00	1.00	32102.00	1.00	1.00	1.00	1.00
6-Hydroxydoxazosin	33460.00	29976.00	27254.00	33649.00	29926.00	29711.00	30435.00	1.00	34519.00	31256.00	31482.00	22748.00	23134.00	25551.00	33267.00	30417.00	33309.00	32293.00	26381.00	32835.00	17407.00	32850.00	32228.00	32311.00	33273.00	26697.00	33605.00	29944.00	9333.00	32532.00
C3 H6 N3 S Esi-4.121	1.00	1.00	1.00	623517.00	27987.00	14840.00	1.00	1.00	40771.00	1040862.00	733814.00	1.00	214865.00	203012.00	18145.00	413913.00	593455.00	1.00	1.00	542802.00	1.00	385859.00	19839.00	116964.00	24726.00	1.00	19282.00	61480.00	1.00	26919.00
12-oxo-10Z-octadecenoic acid	1.00	1.00	1.00	36744.00	19722.00	22221.00	22962.00	20110.00	12104.00	9224.00	11418.00	17538.00	14574.00	29788.00	21806.00	15760.00	13123.00	22677.00	29364.00	21107.00	18110.00	34606.00	13095.00	15574.00	20173.00	12947.00	10194.00	15686.00	21993.00	12432.00
C21 H4 N2	30885.00	40034.00	18798.00	39594.00	27778.00	35470.00	41840.00	18285.00	41088.00	37991.00	43202.00	42647.00	43062.00	44343.00	41652.00	41686.00	43106.00	48458.00	45897.00	39195.00	39151.00	45266.00	42667.00	38805.00	42931.00	34609.00	45229.00	42676.00	43612.00	43042.00
Citiolone Esi-4.4919987	1.00	136155.00	1.00	38211.00	226778.00	99143.00	108037.00	1.00	64125.00	119338.00	118402.00	133237.00	75848.00	134720.00	167293.00	92409.00	51703.00	154382.00	42610.00	424845.00	213989.00	130409.00	122350.00	317123.00	103907.00	1.00	165661.00	38809.00	120856.00	117919.00
C9 H2 O2 S2	53883.00	50008.00	55716.00	51639.00	77990.00	23458.00	62529.00	57619.00	51544.00	46401.00	59914.00	53756.00	65106.00	59022.00	42836.00	62870.00	58637.00	58782.00	55728.00	77803.00	43181.00	66409.00	56819.00	52792.00	68505.00	1.00	66222.00	49193.00	1.00	70403.00
C13 H22 O4	32279.00	13884.00	28096.00	22573.00	16120.00	19745.00	13730.00	16238.00	19001.00	13802.00	15974.00	18655.00	13337.00	16576.00	13216.00	1.00	40274.00	13912.00	13031.00	16686.00	13093.00	19818.00	1.00	1.00	15033.00	13405.00	14771.00	15485.00	1.00	13365.00
3-Sulfino-L-alanine	24405.00	9301.00	14576.00	25970.00	30832.00	39953.00	12646.00	14797.00	31456.00	1.00	1.00	30028.00	12735.00	23978.00	20368.00	16432.00	32973.00	23023.00	28237.00	17588.00	22185.00	35011.00	28740.00	11029.00	21667.00	31851.00	20737.00	19908.00	1.00	26638.00
PE(18:3(9Z,12Z,15Z)/20:2(11Z,14Z))	23297.00	11394.00	41329.00	25404.00	21167.00	14723.00	17107.00	14680.00	23969.00	16103.00	25603.00	17068.00	23725.00	10652.00	21325.00	21986.00	20645.00	11598.00	13711.00	23837.00	1.00	14749.00	25963.00	12114.00	26037.00	16916.00	12372.00	17190.00	19311.00	25589.00
PE(O-20:0/20:5(5Z,8Z,11Z,14Z,17Z))	29718.00	13637.00	1.00	25979.00	32020.00	14709.00	24497.00	20845.00	23080.00	1.00	22951.00	14596.00	18894.00	16167.00	26857.00	31286.00	32279.00	31810.00	1.00	18959.00	15941.00	1.00	26655.00	18424.00	16824.00	22518.00	20525.00	21115.00	14299.00	33687.00
C15 H4 N3 O	33672.00	49812.00	23105.00	26876.00	49260.00	50968.00	26518.00	26332.00	49419.00	60661.00	51232.00	35810.00	53844.00	57548.00	23721.00	27851.00	23649.00	54188.00	48284.00	37641.00	58351.00	35571.00	17798.00	52251.00	78269.00	39796.00	65609.00	56235.00	22163.00	25171.00
C41 H81 O7	21033.00	20788.00	15281.00	22427.00	36810.00	24089.00	19648.00	23814.00	20277.00	16715.00	16235.00	12234.00	13154.00	12995.00	14852.00	14319.00	11983.00	12152.00	12324.00	12556.00	1.00	12845.00	12025.00	12736.00	14439.00	15255.00	10050.00	17394.00	16904.00	17577.00
C4 H2 O3 S2 Esi-7.733001	93535.00	31827.00	81113.00	102566.00	1.00	86766.00	92288.00	128453.00	132478.00	121284.00	168603.00	134708.00	81028.00	61088.00	67770.00	82617.00	120995.00	78159.00	81168.00	77910.00	65164.00	98877.00	13267.00	95899.00	57286.00	102132.00	112794.00	80864.00	80049.00	65139.00
4-Sulfolactone Esi-2.3390002	112549.00	111916.00	121174.00	112661.00	111385.00	111391.00	112702.00	110289.00	105881.00	115385.00	113308.00	110043.00	114073.00	109388.00	107041.00	108824.00	105220.00	115461.00	111849.00	103923.00	116663.00	106163.00	115347.00	115278.00	111154.00	109543.00	113485.00	115943.00	115985.00	111225.00
C6 H O8 S Esi-1.0680003	27208.00	30423.00	49691.00	20547.00	53268.00	49282.00	25261.00	29775.00	22473.00	42402.00	30735.00	27241.00	64623.00	28631.00	68449.00	41323.00	27240.00	50861.00	42427.00	95235.00	89163.00	41871.00	22658.00	27302.00	18604.00	28860.00	56757.00	31251.00	28254.00	10611.00
5-D-(5/6)-5-C-(Hydroxymethyl)-2,6-dihydroxycyclohex-2-en-1-one	20230.00	20073.00	25936.00	28911.00	23682.00	31421.00	17395.00	19327.00	19761.00	16885.00	24918.00	26427.00	35001.00	28212.00	23747.00	20415.00	21099.00	15019.00	18199.00	23957.00	22154.00	27914.00	1.00	38622.00	26675.00	37120.00	28808.00	23824.00	23706.00	41635.00
PE(18:1(11Z)/18:2(9Z,12Z))	16555.00	21201.00	26271.00	24484.00	18993.00	20715.00	16992.00	13815.00	36527.00	18663.00	16275.00	15033.00	19863.00	1.00	21528.00	17322.00	25569.00	1.00	15357.00	40467.00	1.00	12399.00	14118.00	12547.00	24381.00	16182.00	11693.00	23107.00	16486.00	30075.00
5,6-Indolequinone-2-carboxylic acid Esi-5.342	84296.00	56345.00	78315.00	92609.00	92274.00	85255.00	73632.00	12437.00	97519.00	62421.00	71537.00	99943.00	87214.00	44474.00	103374.00	69331.00	107149.00	94403.00	83210.00	112296.00	31520.00	85756.00	130745.00	54539.00	106438.00	70330.00	123216.00	99542.00	12848.00	103228.00
Metalaxyl-M Esi-1.0200003	65450.00	52939.00	63594.00	77520.00	63930.00	75158.00	94900.00	83663.00	82384.00	70134.00	81251.00	70353.00	84777.00	73126.00	99427.00	115027.00	46943.00	95089.00	76603.00	77846.00	61150.00	72657.00	75622.00	63729.00	68554.00	75372.00	116342.00	76441.00	85030.00	67799.00
N-tryptophanyl-35-aminobacteriohopane-32,33,34-triol	35782.00	28691.00	25795.00	32394.00	30968.00	25136.00	22925.00	26907.00	34689.00	16975.00	28551.00	22259.00	25840.00	17716.00	29800.00	40407.00	32607.00	25503.00	17267.00	26720.00	13115.00	19932.00	22013.00	25342.00	31645.00	34692.00	23793.00	30221.00	25828.00	37794.00
C28 H9 N9 O21 Esi-3.6610596	32387.00	84638.00	1.00	107833.00	1.00	1.00	98926.00	1.00	38972.00	46886.00	35940.00	65944.00	75120.00	1.00	436270.00	1.00	1.00	1.00	1.00	116883.00	100352.00	58631.00	174724.00	79010.00	1.00	1.00	98886.00	1.00	1.00	226574.00
PE(P-18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	39984.00	20370.00	20762.00	36422.00	22527.00	22071.00	20615.00	21557.00	30675.00	19509.00	32773.00	20268.00	22221.00	22012.00	26414.00	37755.00	25075.00	19787.00	16781.00	24522.00	13259.00	13165.00	25800.00	22781.00	36362.00	30936.00	24126.00	28090.00	19240.00	35604.00
C15 H2 O2 S	1.00	1.00	1.00	85535.00	62118.00	15946.00	1.00	1.00	1.00	141380.00	1.00	157945.00	50044.00	1.00	182536.00	1.00	1.00	1.00	1.00	1.00	85859.00	1.00	1.00	1.00	1.00	1.00	69549.00	1.00	103048.00	1.00
Ubiquinol	21341.00	21494.00	12664.00	27237.00	29582.00	26474.00	29932.00	16868.00	37436.00	18972.00	21263.00	1.00	11008.00	14609.00	15449.00	15475.00	13396.00	12862.00	11363.00	27867.00	13678.00	13596.00	17359.00	12369.00	21987.00	15304.00	15842.00	17140.00	15907.00	20611.00
C8 O5	79716.00	87138.00	69546.00	85306.00	74317.00	67024.00	72463.00	51706.00	87980.00	67133.00	90144.00	81517.00	75409.00	86048.00	68733.00	48187.00	47776.00	77471.00	87432.00	65213.00	68377.00	85927.00	63606.00	68868.00	69646.00	73401.00	95622.00	85549.00	48369.00	52429.00
C10 H3 Cl N2 O4	31182.00	18340.00	17320.00	21420.00	19542.00	49017.00	46229.00	24601.00	24818.00	14378.00	22027.00	19387.00	24172.00	1.00	28131.00	32849.00	18103.00	1.00	1.00	24255.00	75530.00	1.00	1.00	31250.00	22497.00	14788.00	16426.00	19089.00	1.00	21557.00
Mirasan	25416.00	29749.00	31785.00	29963.00	26780.00	31836.00	17119.00	18730.00	18003.00	28471.00	31474.00	33569.00	28992.00	31361.00	26292.00	23051.00	29947.00	21197.00	23478.00	22447.00	24194.00	28732.00	19908.00	41238.00	30272.00	33663.00	34857.00	31224.00	23047.00	34792.00
C4 H2 O3 S2 Esi-2.055	136161.00	147226.00	120502.00	164812.00	148765.00	142984.00	143404.00	148023.00	140780.00	137000.00	100870.00	144445.00	132683.00	128813.00	138375.00	109650.00	148757.00	120393.00	113542.00	143256.00	122168.00	121607.00	108251.00	137426.00	142232.00	119739.00	122279.00	169071.00	116774.00	122493.00
C28 H9 N9 O21 Esi-5.8240004	1.00	1.00	25660.00	16364.00	1.00	1.00	35375.00	23676.00	1.00	1.00	15281.00	1.00	45925.00	49495.00	1.00	1.00	1.00	1.00	1.00	1.00	26395.00	1.00	33482.00	1.00	1.00	1.00	1.00	1.00	1.00	88995.00
C19 H34 N2 O5	24301.00	11700.00	1.00	33938.00	12587.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	15051.00	1.00	1.00	1.00	17326.00	1.00	1.00	1.00	20985.00	1.00	1.00	1.00	1.00	15547.00	1.00	29822.00	1.00	1.00
C8 H3 N2 O2 Esi-7.1230006	28082.00	26011.00	25042.00	29116.00	35305.00	32804.00	22420.00	1.00	30275.00	24842.00	29935.00	20272.00	19639.00	21629.00	27823.00	23150.00	29877.00	22266.00	20951.00	42423.00	16256.00	27499.00	32435.00	36886.00	30028.00	24634.00	26215.00	29381.00	1.00	28580.00
C5 H5 N O S	31650.00	18175.00	32658.00	45134.00	29139.00	31537.00	23024.00	1.00	47772.00	15957.00	21087.00	32946.00	24748.00	15991.00	35479.00	20044.00	48285.00	29146.00	30136.00	39159.00	1.00	27822.00	32778.00	15995.00	38028.00	30408.00	31518.00	32864.00	1.00	33528.00
PE(P-20:0/20:5(5Z,8Z,11Z,14Z,17Z))	36937.00	14063.00	13934.00	26738.00	26803.00	15314.00	19144.00	22335.00	26635.00	11727.00	32939.00	13846.00	23965.00	21092.00	24103.00	30437.00	36164.00	32830.00	1.00	23551.00	18946.00	1.00	32935.00	22677.00	23605.00	22852.00	27628.00	26411.00	15659.00	37712.00
2,4-DP	1.00	18658.00	1.00	30564.00	1.00	13230.00	29154.00	1.00	16852.00	1.00	17530.00	27259.00	19914.00	21124.00	13167.00	28329.00	15611.00	19000.00	17484.00	25371.00	1.00	24284.00	30682.00	1.00	20499.00	1.00	22444.00	1.00	30303.00	27201.00
Gingerenone A	29111.00	26551.00	26905.00	28022.00	25782.00	20504.00	19770.00	21889.00	24670.00	20923.00	26388.00	29588.00	37102.00	22150.00	25785.00	25514.00	20576.00	20905.00	22089.00	40539.00	22560.00	20757.00	20655.00	33637.00	18336.00	27616.00	22379.00	23229.00	24513.00	20856.00
Trp Met Ser	28512.00	24254.00	21014.00	22497.00	21437.00	22419.00	23568.00	22105.00	22654.00	28021.00	29329.00	25160.00	22206.00	22262.00	24923.00	23160.00	30376.00	23357.00	23768.00	31859.00	29207.00	20390.00	28320.00	30341.00	29442.00	21250.00	24107.00	27621.00	24601.00	25778.00
2,3-Dichloro-4-(a-hydroxy-2-thenyl)phenoxyacetic acid	30913.00	33438.00	30229.00	32535.00	29789.00	32088.00	32675.00	34728.00	32243.00	31760.00	29493.00	33035.00	30993.00	30170.00	33745.00	30659.00	32175.00	32315.00	30342.00	33136.00	32598.00	31502.00	29984.00	32923.00	30150.00	32905.00	31969.00	32241.00	34464.00	30651.00
Phytuberin Esi-2.0499995	1.00	26568.00	1.00	38627.00	1.00	1.00	35792.00	1.00	37478.00	1.00	43433.00	27347.00	29905.00	27492.00	25573.00	46341.00	25316.00	39657.00	36814.00	28513.00	1.00	32280.00	29625.00	23786.00	27494.00	26890.00	39807.00	25720.00	12525.00	31438.00
Artonin K	90330.00	103392.00	89409.00	106265.00	90774.00	90891.00	95274.00	1.00	89863.00	1.00	104045.00	94795.00	98259.00	104152.00	105627.00	105575.00	107029.00	105418.00	60182.00	109441.00	107252.00	115859.00	92368.00	112335.00	109659.00	109470.00	94009.00	83376.00	123796.00	107322.00
C49 H20 N14	16615.00	14952.00	15357.00	17659.00	18001.00	18546.00	15372.00	16043.00	18286.00	16189.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	8721.00
5-Fluoromuconolactone Esi-7.3440013	21438.00	1.00	1.00	14781.00	1.00	16626.00	12616.00	1.00	1.00	1.00	17471.00	10378.00	33283.00	1.00	1.00	1.00	16715.00	14662.00	13043.00	16965.00	1.00	1.00	17175.00	1.00	21865.00	1.00	13134.00	15030.00	1.00	22598.00
C6 H8 Cl Esi-4.5179996	1.00	113866.00	1.00	200263.00	176011.00	202935.00	77321.00	1.00	148907.00	330195.00	87733.00	121812.00	195394.00	190897.00	172006.00	107939.00	99802.00	243413.00	55761.00	106861.00	99629.00	324553.00	139433.00	85789.00	151718.00	1.00	109662.00	226397.00	114659.00	98807.00
C27 H13 N5 O25 Esi-4.871	1.00	29173.00	35379.00	23958.00	1.00	1.00	126546.00	1.00	1.00	1.00	67138.00	1.00	1.00	1.00	1.00	1.00	1.00	28917.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C51 H65 N9 O2	26228.00	14051.00	27270.00	31930.00	26760.00	23074.00	19578.00	23430.00	26748.00	22246.00	21403.00	14851.00	23802.00	16598.00	19459.00	20676.00	22326.00	21732.00	22587.00	27613.00	15268.00	16281.00	22400.00	14956.00	27209.00	25760.00	21092.00	21185.00	23216.00	30778.00
Citiolone Esi-4.481001	1.00	136847.00	1.00	20215.00	147062.00	44762.00	109972.00	1.00	52354.00	119273.00	118963.00	135644.00	123607.00	74729.00	68020.00	47040.00	90143.00	156922.00	42807.00	429704.00	214264.00	131114.00	84313.00	320791.00	64611.00	1.00	135648.00	46837.00	117117.00	33460.00
5-Fluoromuconolactone Esi-8.9400015	34214.00	38169.00	36369.00	35321.00	37606.00	33840.00	29540.00	20144.00	22034.00	30976.00	32553.00	25044.00	30950.00	26705.00	52163.00	42132.00	39397.00	24617.00	22406.00	37213.00	22262.00	31521.00	37408.00	42072.00	31324.00	1.00	20621.00	29302.00	24483.00	40572.00
C6 H3 N S3	1.00	126999.00	1.00	68110.00	191435.00	1.00	1.00	1.00	1.00	106008.00	65495.00	61653.00	1.00	1.00	109271.00	83299.00	60072.00	56552.00	1.00	29298.00	61347.00	104172.00	81446.00	1.00	1.00	1.00	114401.00	1.00	60963.00	45123.00
5-Ureido-4-imidazole carboxylate	32954.00	29243.00	29220.00	30294.00	25814.00	24855.00	33735.00	27078.00	28859.00	30224.00	29179.00	34927.00	31241.00	28601.00	31591.00	33219.00	27115.00	33776.00	34973.00	28180.00	33576.00	30530.00	29482.00	31224.00	29646.00	30998.00	31863.00	31069.00	32008.00	28294.00
C29 H15 N2 O26 Esi-8.32	1.00	1.00	1.00	18876.00	18204.00	50616.00	25896.00	26877.00	28536.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	28590.00	1.00	1.00	37993.00	1.00	26932.00	24131.00	1.00	1.00	16723.00	12694.00	1.00	190897.00	1.00
C6 H8 Cl Esi-4.117	1.00	1.00	1.00	69988.00	1.00	1.00	1.00	1.00	1.00	139259.00	168314.00	1.00	1.00	91222.00	1.00	80943.00	1.00	1.00	1.00	166713.00	1.00	135620.00	1.00	39101.00	30100.00	1.00	115394.00	1.00	1.00	161478.00
Cer(d18:1/16:0)	18996.00	26149.00	16592.00	28396.00	28510.00	24892.00	35174.00	32937.00	22179.00	12532.00	16832.00	22769.00	17910.00	14940.00	21723.00	31307.00	12865.00	17218.00	15977.00	27355.00	10671.00	18979.00	17247.00	18629.00	17267.00	13298.00	12324.00	20038.00	25763.00	28859.00
C14 H8 O13	23759.00	23810.00	26286.00	29844.00	31575.00	19019.00	37676.00	32231.00	28323.00	28998.00	21461.00	35827.00	26929.00	1.00	23604.00	37559.00	24229.00	31752.00	23185.00	40164.00	15927.00	26973.00	33365.00	19794.00	19339.00	1.00	27645.00	31194.00	31480.00	35520.00
C30 H61 N13	13656.00	14893.00	14552.00	19669.00	33669.00	16263.00	14553.00	12246.00	13990.00	10433.00	12620.00	1.00	1.00	1.00	1.00	9043.00	9380.00	10082.00	1.00	8680.00	8889.00	9157.00	8993.00	14267.00	14327.00	1.00	1.00	17737.00	9801.00	14597.00
C14 H6 N4 O8 Esi-1.072	20086.00	1.00	1.00	20890.00	19904.00	18858.00	1.00	1.00	15091.00	21558.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
N'-Nitrosoanabasine	27471.00	25762.00	18268.00	25783.00	24356.00	23915.00	18001.00	27748.00	20659.00	21089.00	20324.00	27184.00	29490.00	20853.00	22649.00	26107.00	33101.00	23197.00	20821.00	22701.00	27618.00	18928.00	18121.00	22445.00	26164.00	29014.00	35384.00	31593.00	21946.00	24316.00
C8 H5 O7 S Esi-4.618579	1.00	484562.00	1.00	384768.00	214984.00	166219.00	359197.00	1.00	1.00	496767.00	474843.00	1.00	468758.00	27587.00	453684.00	534014.00	214829.00	1.00	259827.00	1.00	890107.00	1.00	517024.00	1.00	355550.00	1.00	283221.00	56989.00	517178.00	1.00
3-oxo-adipic acid Esi-4.481001 :1	1.00	279983.00	1.00	78188.00	498236.00	465356.00	313913.00	1.00	368701.00	368589.00	665243.00	407670.00	129213.00	653993.00	328729.00	765756.00	102756.00	162218.00	72156.00	378327.00	427798.00	228940.00	848253.00	356530.00	760269.00	1.00	828447.00	640652.00	347968.00	88811.00
5-O-Feruloylquinic acid Esi-2.84	17279.00	30501.00	1.00	21961.00	1.00	28254.00	19996.00	1.00	1.00	31263.00	35266.00	27245.00	1.00	39002.00	1.00	23909.00	1.00	1.00	1.00	29923.00	28469.00	24550.00	69648.00	1.00	53018.00	15076.00	47490.00	31449.00	16563.00	17485.00
2-oxo-octadecanoic acid	1.00	1.00	1.00	24807.00	16269.00	15032.00	1.00	18575.00	15048.00	1.00	1.00	17800.00	1.00	20350.00	15098.00	1.00	13670.00	16002.00	20240.00	20837.00	15678.00	30270.00	27808.00	1.00	18837.00	13323.00	13125.00	1.00	1.00	13924.00
2-Mercaptobenzothiazole Esi-4.501	1.00	74339.00	1.00	131598.00	114914.00	134824.00	62697.00	1.00	132474.00	59357.00	155770.00	107419.00	148789.00	159259.00	131501.00	175550.00	179036.00	88326.00	75604.00	176269.00	80395.00	159245.00	89220.00	133860.00	260430.00	1.00	144562.00	213298.00	98812.00	183728.00
C42 H22 N10 O4	15574.00	14466.00	13440.00	16419.00	17143.00	17758.00	13903.00	14963.00	16412.00	14075.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(R)-(+)-2-Pyrrolidone-5-carboxylic acid	1.00	12312.00	15208.00	12554.00	16674.00	15822.00	1.00	1.00	16142.00	9697.00	13042.00	9552.00	13337.00	12737.00	10159.00	13328.00	18238.00	1.00	9449.00	16236.00	1.00	32211.00	10790.00	10997.00	13761.00	10345.00	11233.00	11904.00	1.00	24896.00
C52 H79 N2 O11 S	22871.00	20850.00	17680.00	23731.00	24075.00	24036.00	21167.00	18371.00	26269.00	25497.00	23961.00	17287.00	22099.00	20274.00	22950.00	21185.00	21910.00	21719.00	20035.00	25719.00	12812.00	19902.00	23655.00	21123.00	27837.00	20873.00	20918.00	22880.00	21551.00	24686.00
Thiarubrine B	28119.00	29749.00	29216.00	31926.00	30848.00	28386.00	30141.00	30979.00	30871.00	30256.00	28214.00	31887.00	29091.00	27341.00	29342.00	30211.00	31047.00	30757.00	28521.00	30723.00	28093.00	27783.00	28467.00	29933.00	28347.00	29720.00	29423.00	29852.00	30992.00	28693.00
C4 H3 N3 S3 Esi-2.0470006	1.00	30550.00	17713.00	36642.00	1.00	1.00	24365.00	1.00	16917.00	1.00	43283.00	22687.00	25158.00	33508.00	24134.00	29320.00	1.00	1.00	36328.00	25359.00	1.00	34003.00	25155.00	21153.00	19293.00	24229.00	21261.00	29143.00	25618.00	23971.00
CE(18:1(11Z))	16145.00	16757.00	11125.00	16706.00	29358.00	18007.00	16393.00	18138.00	15666.00	12753.00	14054.00	11654.00	10823.00	11558.00	13680.00	11333.00	1.00	10635.00	1.00	10740.00	1.00	12021.00	9198.00	10813.00	10562.00	11859.00	9168.00	13514.00	15495.00	14412.00
Bacterio-chlorophyll b	31222.00	20142.00	26187.00	27013.00	23136.00	22355.00	20689.00	25397.00	26070.00	21899.00	20967.00	17672.00	18984.00	17384.00	21920.00	23658.00	24141.00	22315.00	23589.00	21969.00	18544.00	16559.00	18941.00	18444.00	26938.00	28887.00	20577.00	24755.00	21924.00	28872.00
Citiolone Esi-5.194	25040.00	66792.00	24979.00	78985.00	124365.00	63338.00	64470.00	50901.00	76490.00	63080.00	110401.00	70972.00	115188.00	69240.00	83270.00	20811.00	39811.00	76784.00	76524.00	37484.00	68995.00	75848.00	137093.00	112924.00	68453.00	114975.00	84278.00	17588.00	70300.00	77106.00
C5 H O5 S Esi-3.956	1.00	1.00	1.00	99900.00	1.00	1.00	1.00	1.00	1.00	1.00	81307.00	1.00	1.00	1.00	1.00	1.00	231650.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	137207.00	1.00	1.00	1.00
PE(P-18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	31087.00	10578.00	14643.00	29585.00	16061.00	15874.00	13035.00	15155.00	25587.00	19733.00	27603.00	16923.00	20287.00	17897.00	14923.00	24478.00	18907.00	14077.00	12950.00	20466.00	1.00	9372.00	24336.00	16281.00	32170.00	21914.00	23269.00	17954.00	16615.00	23728.00
C16 H4 O17	25475.00	27770.00	27825.00	28723.00	28897.00	28163.00	28201.00	27971.00	26627.00	29001.00	27014.00	28661.00	28214.00	26700.00	14251.00	27560.00	28535.00	25011.00	28115.00	29677.00	26230.00	25436.00	27018.00	25818.00	25312.00	26058.00	28580.00	28331.00	27887.00	26382.00
C7 H7 N O2	1.00	1.00	1.00	19592.00	24982.00	1.00	1.00	1.00	1.00	17449.00	1.00	1.00	1.00	1.00	1.00	40430.00	1.00	1.00	1.00	1.00	1.00	17786.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C4 H2 O3 S2 Esi-7.735 :1	78135.00	96747.00	129316.00	111763.00	65705.00	88440.00	97667.00	129153.00	94699.00	109280.00	180668.00	143949.00	127803.00	51488.00	76910.00	87102.00	156965.00	97371.00	56369.00	54013.00	63756.00	87357.00	147699.00	148072.00	94337.00	107285.00	115385.00	64009.00	78737.00	112520.00
Phytuberin Esi-2.9420006	47572.00	56532.00	62234.00	58186.00	54635.00	57181.00	19391.00	77184.00	59905.00	49214.00	60948.00	18385.00	58608.00	57391.00	58035.00	21270.00	51510.00	21898.00	61570.00	1.00	61420.00	25377.00	77248.00	62755.00	59098.00	1.00	76037.00	79952.00	30964.00	24559.00
C21 H30 N O4	19465.00	1.00	1.00	27697.00	11414.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12867.00	1.00	1.00	1.00	14449.00	1.00	1.00	1.00	20057.00	1.00	1.00	1.00	1.00	14328.00	1.00	24763.00	1.00	1.00
Nonate	21125.00	16547.00	23855.00	29189.00	21498.00	24005.00	19356.00	22361.00	16296.00	1.00	23126.00	17663.00	24177.00	29405.00	17357.00	19565.00	16832.00	19320.00	19760.00	21396.00	24244.00	25056.00	20119.00	21502.00	22375.00	32773.00	28355.00	18667.00	14342.00	26383.00
C18 H2 O19 Esi-5.619002	252220.00	314186.00	21185.00	293819.00	300130.00	312354.00	283463.00	323730.00	294088.00	308950.00	268676.00	311401.00	263492.00	293473.00	292419.00	284827.00	324149.00	302119.00	270964.00	314380.00	269973.00	271585.00	272848.00	313710.00	284658.00	303251.00	321386.00	314766.00	283291.00	278304.00
L-Fuculose 1-phosphate	1.00	17212.00	1.00	24955.00	16598.00	20750.00	21483.00	1.00	17879.00	20510.00	18008.00	26306.00	19584.00	18659.00	13593.00	23093.00	25778.00	20757.00	17062.00	26240.00	20117.00	26059.00	28336.00	18309.00	29261.00	1.00	22229.00	21872.00	23473.00	30400.00
PS(20:0/17:2(9Z,12Z))	18486.00	17759.00	24573.00	17693.00	21615.00	24158.00	14221.00	1.00	31316.00	1.00	22963.00	12351.00	21820.00	13469.00	20569.00	20435.00	19971.00	1.00	12464.00	25224.00	1.00	14464.00	17527.00	22983.00	31102.00	15872.00	11362.00	21319.00	19433.00	24163.00
C6 H10 N5 O3	1.00	1.00	1.00	11627.00	1.00	10768.00	1.00	1.00	1.00	1.00	22931.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	31305.00	1.00	10223.00	18691.00	1.00	16398.00	1.00	12773.00	1.00	1.00	14535.00
C3 H4 N2 S2	1.00	1.00	18852.00	13732.00	1.00	1.00	1.00	18274.00	1.00	1.00	25581.00	29907.00	1.00	1.00	1.00	1.00	1.00	1.00	20518.00	1.00	1.00	1.00	1.00	1.00	17176.00	1.00	1.00	13638.00	1.00	13346.00
C20 H2 N3 O20	22739.00	26040.00	24457.00	25537.00	24327.00	24734.00	24640.00	27269.00	25360.00	25317.00	21316.00	25487.00	25519.00	23346.00	23514.00	25392.00	20837.00	25244.00	22035.00	24230.00	22286.00	23554.00	24731.00	24497.00	23166.00	21883.00	25779.00	24107.00	26433.00	24581.00
trans-Aconitate	29759.00	20290.00	32809.00	30451.00	26541.00	23087.00	22592.00	1.00	30679.00	17496.00	17675.00	29468.00	26045.00	13515.00	31992.00	19333.00	40280.00	27548.00	26885.00	34416.00	12886.00	22534.00	34477.00	18672.00	30333.00	29792.00	32213.00	30969.00	1.00	25935.00
C30 H24 N4 O30 S2 Esi-5.886473	31093.00	1.00	27434.00	30327.00	55981.00	1.00	85544.00	23361.00	97427.00	1.00	19565.00	1.00	1.00	57287.00	1.00	1.00	248550.00	1.00	1.00	201941.00	67385.00	70225.00	97454.00	41553.00	125839.00	270599.00	1.00	152066.00	40023.00	1.00
C8 H6 S	20602.00	1.00	1.00	14787.00	1.00	18167.00	1.00	1.00	1.00	1.00	18810.00	1.00	13330.00	14668.00	1.00	1.00	11767.00	1.00	1.00	21747.00	1.00	1.00	17648.00	15836.00	20979.00	1.00	1.00	17029.00	1.00	16600.00
C10 H8 O15 S	22579.00	25380.00	24659.00	24883.00	24183.00	23206.00	25621.00	28416.00	24131.00	26534.00	22443.00	23311.00	23108.00	24619.00	26753.00	24175.00	25216.00	24602.00	24885.00	24800.00	22658.00	25241.00	23305.00	26861.00	22864.00	23930.00	25585.00	24606.00	25339.00	23101.00
C28 H9 N9 O21 Esi-9.058	1.00	1.00	1.00	16745.00	1.00	33621.00	1.00	1.00	20988.00	40047.00	1.00	1.00	80664.00	49068.00	1.00	1.00	1.00	1.00	1.00	52439.00	1.00	1.00	1.00	1.00	1.00	16687.00	1.00	1.00	1.00	1.00
PG(17:1(9Z)/17:0)	13900.00	13611.00	11671.00	21435.00	21546.00	18322.00	1.00	1.00	28399.00	13081.00	16999.00	1.00	13205.00	10863.00	11535.00	16701.00	13470.00	1.00	1.00	16861.00	1.00	1.00	11977.00	1.00	17321.00	14351.00	14791.00	12195.00	1.00	18236.00
Tropolone	23790.00	25802.00	25579.00	15619.00	27556.00	21660.00	34134.00	20657.00	14476.00	21752.00	1.00	10691.00	1.00	1.00	1.00	11227.00	15341.00	1.00	1.00	1.00	1.00	25633.00	16114.00	1.00	1.00	1.00	1.00	1.00	1.00	32801.00
S-Methyl-1-thio-D-glycerate	31151.00	22096.00	40903.00	28563.00	22865.00	34147.00	14176.00	20351.00	24906.00	1.00	22802.00	30084.00	18917.00	26221.00	26800.00	18330.00	19682.00	1.00	32493.00	34379.00	26035.00	35056.00	27378.00	20226.00	31739.00	16855.00	27403.00	20997.00	1.00	1.00
C17 H2 N3 O18	22813.00	23002.00	23665.00	26767.00	21468.00	25307.00	25876.00	24580.00	22507.00	22521.00	23559.00	24259.00	24719.00	22250.00	26583.00	23299.00	27257.00	23072.00	24343.00	26593.00	21329.00	26206.00	25203.00	25718.00	23359.00	22318.00	24493.00	26246.00	24134.00	21003.00
C10 H2 N4 O11 S Esi-5.932999	241095.00	149382.00	1.00	239402.00	183775.00	196035.00	1.00	250649.00	1.00	1.00	1.00	258029.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	89876.00	64455.00	1.00	1.00	1.00	270009.00	152905.00	274410.00	1.00	204391.00
L-Malic acid	28975.00	41104.00	41441.00	24839.00	26221.00	27013.00	37709.00	15713.00	25481.00	25940.00	25258.00	25019.00	27936.00	28540.00	25158.00	33181.00	22202.00	26893.00	25961.00	29054.00	25580.00	26417.00	27627.00	28690.00	31276.00	24403.00	26992.00	27512.00	20216.00	31720.00
Uplandicine	13373.00	11235.00	17285.00	16579.00	13185.00	14629.00	15835.00	13642.00	18525.00	13876.00	14988.00	16857.00	17765.00	14952.00	18645.00	16027.00	18931.00	23212.00	18294.00	12719.00	16112.00	14051.00	14160.00	15916.00	17974.00	24785.00	24645.00	23111.00	14644.00	10875.00
4-hydroperoxy 2-Nonenal	16786.00	16075.00	17620.00	24924.00	20592.00	26087.00	14127.00	20057.00	15846.00	15123.00	17675.00	18646.00	23260.00	33958.00	20150.00	17767.00	19662.00	20012.00	16828.00	20675.00	19370.00	29512.00	12174.00	18137.00	21204.00	22910.00	24118.00	19881.00	18738.00	18360.00
C28 H9 N9 O21 Esi-9.3382	1.00	1.00	1.00	16551.00	1.00	36887.00	66922.00	1.00	37625.00	39289.00	32021.00	1.00	13703.00	22554.00	21062.00	1.00	1.00	1.00	39058.00	30785.00	1.00	1.00	15722.00	71754.00	1.00	14830.00	13067.00	1.00	1.00	1.00
3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one	16773.00	16982.00	16860.00	16499.00	17233.00	18529.00	18892.00	17519.00	17415.00	18557.00	16330.00	16961.00	17793.00	18658.00	17293.00	18768.00	15520.00	16700.00	20415.00	19988.00	18061.00	16069.00	18886.00	22698.00	18252.00	18288.00	20725.00	20506.00	19559.00	23812.00
lipoamide	1.00	16695.00	1.00	25814.00	16483.00	18492.00	20457.00	1.00	18149.00	19491.00	16619.00	26974.00	19298.00	19624.00	14097.00	25796.00	23790.00	19336.00	16361.00	27720.00	18827.00	29325.00	28104.00	18155.00	26802.00	1.00	23167.00	18817.00	22627.00	30721.00
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-octanoate	22627.00	16514.00	15281.00	22291.00	15154.00	12270.00	1.00	20090.00	16146.00	1.00	13785.00	19689.00	21473.00	16396.00	12091.00	18220.00	21360.00	1.00	1.00	12454.00	16759.00	13427.00	1.00	18331.00	12705.00	24655.00	25456.00	21021.00	13918.00	17504.00
F-Honaucin A Esi-4.474999	1.00	190325.00	1.00	301203.00	260443.00	245324.00	87484.00	1.00	383963.00	329206.00	313200.00	525496.00	298625.00	503737.00	775055.00	328070.00	544160.00	640385.00	1.00	327834.00	317421.00	540178.00	666789.00	139518.00	496835.00	1.00	576915.00	427922.00	199585.00	502894.00
PS(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	22020.00	14250.00	15825.00	23793.00	21037.00	16217.00	20013.00	18707.00	22157.00	11689.00	19106.00	15180.00	18197.00	13721.00	20800.00	20871.00	21467.00	15268.00	12849.00	20951.00	14247.00	12932.00	18836.00	15082.00	20828.00	21601.00	18121.00	19418.00	17772.00	25959.00
2-O-Caffeoylglucarate Esi-1.0709997	37381.00	32290.00	32396.00	36124.00	35737.00	38258.00	30903.00	36536.00	51304.00	49895.00	16150.00	13973.00	15347.00	19920.00	13385.00	1.00	1.00	24927.00	18368.00	32267.00	15299.00	58366.00	13829.00	1.00	16584.00	13751.00	1.00	1.00	1.00	20822.00
PS(19:0/22:4(7Z,10Z,13Z,16Z))	12648.00	1.00	25145.00	14250.00	21051.00	1.00	13171.00	1.00	24144.00	1.00	23291.00	16294.00	18262.00	1.00	16506.00	27328.00	23323.00	1.00	1.00	19705.00	1.00	14406.00	28094.00	1.00	12211.00	14989.00	11438.00	13495.00	15558.00	25561.00
Thio-THIP	1.00	1.00	1.00	23033.00	15414.00	21069.00	1.00	1.00	15464.00	1.00	19430.00	27078.00	23342.00	1.00	1.00	21735.00	21829.00	1.00	1.00	20429.00	1.00	16108.00	1.00	1.00	21147.00	1.00	12201.00	15840.00	1.00	17045.00
C33 H64 N12	11765.00	12513.00	13729.00	15497.00	26035.00	13827.00	13084.00	10964.00	11413.00	1.00	10064.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11405.00	12252.00	1.00	1.00	15876.00	11335.00	13254.00
C7 H3 O8 S	1.00	24557.00	26621.00	40309.00	1.00	1.00	22052.00	1.00	28250.00	1.00	27896.00	27193.00	1.00	31052.00	33499.00	32448.00	1.00	1.00	1.00	1.00	1.00	1.00	23212.00	21215.00	22699.00	1.00	25349.00	1.00	29266.00	21515.00
8-hydroxy-nonanoic acid	16200.00	15991.00	23173.00	15515.00	15020.00	14767.00	21344.00	1.00	1.00	18511.00	23485.00	17831.00	17605.00	21961.00	18226.00	1.00	16587.00	14521.00	1.00	24257.00	1.00	27011.00	1.00	19882.00	24535.00	17494.00	21335.00	16254.00	1.00	22575.00
C5 H N3 O7 S Esi-2.9889991	97300.00	100673.00	95341.00	93326.00	93770.00	114087.00	101901.00	118070.00	110768.00	119286.00	97835.00	107788.00	17747.00	105569.00	110206.00	102763.00	1.00	97267.00	108986.00	97404.00	126936.00	108340.00	102461.00	87625.00	82939.00	128768.00	102956.00	106333.00	113183.00	104278.00
PS(20:0/18:1(9Z))	14591.00	1.00	14943.00	18126.00	15071.00	19063.00	13343.00	1.00	13240.00	15695.00	13323.00	1.00	1.00	1.00	16345.00	18434.00	11642.00	1.00	1.00	17423.00	1.00	1.00	12465.00	1.00	16331.00	1.00	12755.00	13348.00	1.00	17082.00
6,14-Dimethyl-hexadecanoic acid	21766.00	15730.00	18645.00	23826.00	18948.00	18241.00	18358.00	14589.00	17399.00	13754.00	16336.00	20990.00	25251.00	16870.00	20883.00	21221.00	20420.00	18503.00	20440.00	24946.00	18728.00	13031.00	15228.00	16258.00	16624.00	27351.00	17991.00	22370.00	22596.00	17402.00
C75	21240.00	1.00	17935.00	21862.00	16837.00	16247.00	1.00	1.00	1.00	1.00	1.00	1.00	15185.00	1.00	1.00	1.00	22485.00	1.00	1.00	1.00	18433.00	22755.00	28130.00	1.00	1.00	1.00	1.00	15653.00	1.00	1.00
C21 H4 N2 Esi-2.8489993	30885.00	40034.00	18798.00	39594.00	27778.00	35470.00	41840.00	18285.00	41088.00	37991.00	43202.00	42647.00	43062.00	44343.00	41652.00	41686.00	43106.00	48458.00	45897.00	39195.00	39151.00	45266.00	42667.00	38805.00	42931.00	34609.00	45229.00	42676.00	43612.00	43042.00
1,3-Di-(11Z,14Z-eicosadienoyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycerol-d5	18673.00	20980.00	20971.00	20775.00	20062.00	20004.00	21669.00	24486.00	21136.00	22199.00	19755.00	21028.00	20614.00	20822.00	23433.00	22522.00	22039.00	22672.00	20672.00	22077.00	21532.00	20028.00	21258.00	20884.00	19745.00	19993.00	22381.00	22065.00	22351.00	21152.00
Artonin K Esi-2.0510004	1.00	1.00	1.00	24271.00	1.00	1.00	14565.00	1.00	28779.00	1.00	22096.00	1.00	21188.00	1.00	22900.00	19820.00	27812.00	23028.00	38604.00	23064.00	1.00	17975.00	17542.00	1.00	1.00	47439.00	1.00	22937.00	23344.00	17975.00
C22 H14 N10 O16	1.00	1.00	12868.00	16457.00	20494.00	1.00	25727.00	17711.00	13043.00	14831.00	1.00	27353.00	13266.00	1.00	1.00	26168.00	1.00	18181.00	1.00	28390.00	1.00	29150.00	21823.00	1.00	1.00	1.00	12662.00	16986.00	17637.00	24158.00
Cer(d18:1/18:1(9Z))	17328.00	15136.00	15971.00	22503.00	26659.00	18388.00	13467.00	11824.00	16193.00	9096.00	19067.00	13623.00	11491.00	13316.00	12100.00	19638.00	14170.00	11893.00	8903.00	11782.00	10338.00	10297.00	11310.00	16199.00	23740.00	1.00	10815.00	19115.00	13074.00	20453.00
Asn-Abu-OH	13862.00	16555.00	1.00	16142.00	25262.00	13901.00	1.00	1.00	17130.00	13843.00	14683.00	1.00	1.00	1.00	19524.00	17142.00	13276.00	1.00	1.00	13187.00	1.00	1.00	13508.00	16143.00	1.00	1.00	1.00	1.00	1.00	15606.00
C9 H2 S	177178.00	189424.00	184705.00	184990.00	184966.00	189531.00	186665.00	194987.00	179025.00	185113.00	172581.00	1.00	180990.00	168897.00	189884.00	186077.00	187432.00	186225.00	179305.00	1.00	179483.00	179673.00	174669.00	190255.00	171335.00	182318.00	186120.00	185196.00	188138.00	172590.00
2-Mercaptobenzothiazole Esi-4.5	1.00	74243.00	1.00	131598.00	115958.00	130771.00	63002.00	1.00	77839.00	174319.00	156742.00	107419.00	160654.00	167028.00	121278.00	175281.00	179027.00	109024.00	1.00	191961.00	80395.00	185229.00	74336.00	116503.00	260760.00	1.00	155354.00	144494.00	103368.00	52499.00
C4 H4 N4 O2	1.00	1.00	1.00	15199.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	20906.00	1.00	1.00	1.00	14381.00	1.00	1.00	1.00	15351.00	1.00	19490.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C5 H3 N3 O2 S3	1.00	1.00	1.00	12994.00	1.00	1.00	1.00	1.00	1.00	33971.00	1.00	20485.00	1.00	1.00	1.00	20817.00	36206.00	19442.00	30409.00	54197.00	23861.00	1.00	1.00	1.00	1.00	1.00	1.00	20306.00	13222.00	1.00
C45 H22 N14 O3	1.00	8917.00	1.00	10005.00	9732.00	9366.00	1.00	1.00	8796.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C41 H79 N4 O4	15261.00	14445.00	9175.00	14100.00	25498.00	17286.00	9811.00	16720.00	13338.00	1.00	12840.00	13402.00	9909.00	11260.00	13398.00	14718.00	1.00	8930.00	1.00	1.00	1.00	1.00	1.00	10294.00	9369.00	10106.00	9765.00	11265.00	14033.00	13064.00
11(R)-HETE	6048.00	3206.00	4295.00	6293.00	6319.00	4287.00	9122.00	5488.00	6869.00	3414.00	10123.00	9676.00	13020.00	5462.00	6732.00	7190.00	6402.00	7190.00	5345.00	11449.00	4457.00	8385.00	7745.00	3453.00	4479.00	3701.00	6801.00	4456.00	22907.00	7170.00
C32 H13 N7 O29	154581.00	155446.00	96494.00	198418.00	58310.00	171438.00	115394.00	117601.00	118885.00	172410.00	107991.00	241904.00	69141.00	125877.00	208007.00	119177.00	166203.00	232118.00	205209.00	119244.00	151937.00	175044.00	124392.00	79491.00	136514.00	132059.00	107889.00	55662.00	77515.00	129549.00
Propanethial S-oxide Esi-7.1210012	34900.00	37116.00	35266.00	49615.00	52257.00	41634.00	34485.00	30937.00	39018.00	45607.00	36309.00	28004.00	33023.00	34779.00	37515.00	32765.00	42142.00	35440.00	30544.00	67411.00	29004.00	71659.00	36458.00	38236.00	33791.00	36606.00	39725.00	40504.00	25067.00	45855.00
C11 H3 Cl N	25467.00	33507.00	35779.00	98817.00	33924.00	31019.00	269744.00	275740.00	34225.00	45007.00	273131.00	101239.00	47180.00	264344.00	38183.00	22835.00	35336.00	109276.00	284711.00	33598.00	79102.00	41064.00	30690.00	111991.00	35504.00	22564.00	268505.00	101180.00	33245.00	274228.00
C17 H26 O4 Esi-1.1400001	459476.00	408706.00	341187.00	412129.00	1.00	408597.00	1.00	493701.00	343700.00	321959.00	352599.00	429609.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	308523.00	1.00	1.00	1.00	1.00	603865.00	544444.00	367059.00	389351.00
PE(20:0/15:0)	18295.00	12383.00	13097.00	18514.00	16998.00	15562.00	21796.00	19063.00	23710.00	1.00	15630.00	11887.00	13648.00	19448.00	14232.00	24603.00	10964.00	1.00	1.00	16240.00	1.00	13212.00	1.00	1.00	1.00	12095.00	1.00	1.00	13073.00	19462.00
Asp-Ala-OH	1.00	1.00	1.00	10841.00	12736.00	1.00	16283.00	1.00	11458.00	1.00	1.00	24233.00	1.00	1.00	1.00	14558.00	1.00	1.00	1.00	22565.00	1.00	19398.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C6 H3 N S3 Esi-1.7760006	307587.00	1.00	108037.00	114310.00	112769.00	275048.00	117724.00	93711.00	72014.00	283754.00	79858.00	106415.00	213959.00	1.00	56899.00	49259.00	54526.00	103553.00	105762.00	176278.00	266704.00	91262.00	107221.00	63906.00	260914.00	186590.00	101713.00	253947.00	111376.00	63717.00
Vitexin 2''-O-rhamnoside-4'''-acetate	17411.00	9922.00	11072.00	18993.00	19285.00	13937.00	14151.00	15173.00	11913.00	10231.00	1.00	1.00	11616.00	11325.00	11014.00	1.00	13172.00	10469.00	10043.00	10461.00	12034.00	1.00	1.00	1.00	11194.00	1.00	1.00	9741.00	1.00	11740.00
2-methylene-4-oxo-pentanedioic acid Esi-5.82	62456.00	31378.00	36895.00	118034.00	32445.00	46877.00	1.00	1.00	43725.00	31987.00	31617.00	1.00	53054.00	95968.00	30967.00	35732.00	1.00	28355.00	1.00	37964.00	23082.00	168393.00	1.00	41288.00	39080.00	40642.00	1.00	28720.00	1.00	48301.00
C10 H10 O16	1.00	1.00	19467.00	19399.00	1.00	1.00	1.00	23115.00	1.00	18833.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	21510.00	16248.00	1.00	1.00	1.00	21494.00	1.00	1.00	1.00	1.00	20017.00	22137.00	23897.00
Doisynoestrol Esi-1.0130004	32482.00	28158.00	13024.00	17413.00	31152.00	35891.00	19616.00	24534.00	32669.00	15337.00	25154.00	15611.00	30057.00	14308.00	17319.00	25906.00	31417.00	24500.00	17120.00	18448.00	16062.00	16125.00	15856.00	18462.00	34307.00	40090.00	15955.00	18217.00	16250.00	17894.00
Rishitin	23639.00	21076.00	17750.00	24111.00	19995.00	15225.00	1.00	23125.00	17292.00	12214.00	19201.00	23990.00	20829.00	22559.00	11752.00	15256.00	27379.00	18256.00	12384.00	12206.00	19604.00	12380.00	11183.00	14560.00	15427.00	24703.00	26591.00	23115.00	12473.00	14006.00
C4 H5 Cl N O Esi-5.3209996	20014.00	1.00	25416.00	81301.00	1.00	46493.00	1.00	21219.00	135909.00	77566.00	178232.00	1.00	80585.00	1.00	18109.00	27127.00	17371.00	1.00	1.00	81613.00	73633.00	29188.00	277659.00	1.00	48725.00	81002.00	44097.00	1.00	119485.00	1.00
C3 H2 N3 O2 Esi-4.006	1.00	1.00	1.00	281756.00	21885.00	1.00	1.00	1.00	1.00	1.00	358145.00	1.00	1.00	306787.00	1.00	12174.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	277686.00	359509.00	1.00	1.00	77056.00	1.00	1.00
9-Fluoro-16alpha-hydroxyandrost-4-ene-3,11,17-trione	17923.00	16619.00	15513.00	18980.00	18610.00	1.00	19630.00	22624.00	21344.00	17211.00	19724.00	20355.00	23704.00	1.00	17646.00	19421.00	14645.00	15352.00	1.00	24635.00	1.00	13552.00	1.00	9802.00	16577.00	1.00	18104.00	15415.00	19636.00	16440.00
6-Hydroxynicotinic acid	13501.00	18040.00	17148.00	15491.00	14581.00	18500.00	15560.00	18753.00	13088.00	19325.00	18149.00	16482.00	16320.00	14562.00	15803.00	1.00	15823.00	18474.00	19297.00	14233.00	18655.00	18664.00	19914.00	19279.00	24925.00	23438.00	24891.00	27022.00	24216.00	23103.00
C7 H13 N2 O8	1.00	19005.00	19422.00	16469.00	27107.00	23558.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	19185.00	1.00	1.00	19970.00	1.00	1.00	1.00	1.00	15801.00	1.00	1.00	15600.00	1.00	16302.00
2,3-Dihydroxy-6,7-Dichloroquinoxaline	23154.00	24292.00	24447.00	28181.00	29516.00	29957.00	23133.00	1.00	29313.00	25273.00	26617.00	19213.00	22554.00	23321.00	24402.00	21962.00	26219.00	22191.00	18317.00	29599.00	13470.00	25081.00	27097.00	22542.00	26927.00	20091.00	26287.00	23760.00	11965.00	28809.00
C7 H12 N2 O S	1.00	22455.00	25306.00	18314.00	39283.00	33977.00	1.00	1.00	18176.00	1.00	18680.00	1.00	1.00	21038.00	1.00	1.00	24940.00	1.00	1.00	25422.00	1.00	1.00	19681.00	1.00	21403.00	1.00	1.00	1.00	1.00	27057.00
C4 H3 N3 S3 Esi-2.9879992 :1	139503.00	155934.00	157367.00	161863.00	148603.00	169142.00	190176.00	164992.00	157897.00	164080.00	188368.00	178643.00	149551.00	160021.00	150023.00	170979.00	205202.00	167476.00	172041.00	216176.00	171956.00	140638.00	167136.00	160030.00	143144.00	167242.00	177882.00	148682.00	171941.00	156364.00
C4 H Cl N O2 S	109083.00	87895.00	105698.00	68186.00	103375.00	107376.00	65655.00	102255.00	99060.00	95706.00	105377.00	67435.00	79234.00	111785.00	75531.00	76150.00	86604.00	87162.00	97441.00	71595.00	118515.00	78394.00	70935.00	105493.00	90034.00	436119.00	1.00	91361.00	70870.00	85880.00
F-Honaucin A Esi-5.1679997 :1	1.00	91627.00	46084.00	108079.00	126199.00	100295.00	93553.00	1.00	155100.00	118556.00	131533.00	90617.00	115316.00	1.00	1.00	130538.00	128166.00	1.00	1.00	1.00	47604.00	122983.00	155387.00	134289.00	111463.00	1.00	1.00	1.00	78689.00	148818.00
C6 H6 N3 O9 Esi-2.2700002	131512.00	131481.00	162374.00	126177.00	178778.00	160659.00	107128.00	200942.00	120821.00	129426.00	107698.00	141226.00	115147.00	107180.00	124990.00	109859.00	162511.00	114474.00	102187.00	145066.00	140360.00	134186.00	120474.00	156038.00	162898.00	120245.00	132327.00	146453.00	97413.00	145256.00
C5 H O5 S Esi-5.166 :1	50716.00	35867.00	36394.00	36990.00	49203.00	23383.00	36930.00	29363.00	27613.00	31428.00	63290.00	109452.00	40856.00	37928.00	33323.00	36227.00	37964.00	50197.00	53600.00	56040.00	88910.00	62048.00	38872.00	35753.00	27514.00	56949.00	42185.00	50375.00	60945.00	34439.00
C8 S2 Esi-2.671	1.00	1.00	1.00	53791.00	1.00	1.00	42621.00	1.00	43114.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	39731.00	1.00	1.00	1.00	1.00	1.00	124518.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
D-Pantethine	19087.00	15182.00	15466.00	16871.00	14848.00	14071.00	18433.00	1.00	16531.00	18040.00	16919.00	14017.00	14786.00	14216.00	16167.00	15392.00	15559.00	17977.00	17189.00	15750.00	12037.00	15694.00	17702.00	16139.00	17516.00	17400.00	18371.00	17759.00	1.00	15821.00
C40 H24 N20 O6	8761.00	1.00	1.00	9345.00	9724.00	1.00	1.00	1.00	9133.00	9130.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
Deamino-?-keto-demethylphosphinothricin	14902.00	35987.00	41512.00	42085.00	14537.00	49452.00	50085.00	43793.00	15388.00	51238.00	52574.00	52923.00	41799.00	43054.00	47972.00	71076.00	48051.00	43608.00	46175.00	54043.00	145573.00	40211.00	42885.00	36893.00	46752.00	56241.00	36722.00	41928.00	45218.00	32574.00
(S)-2-Hydroxypropyl-CoM	81459.00	61603.00	1.00	29398.00	91590.00	89157.00	61279.00	1.00	46991.00	89464.00	46475.00	36290.00	49471.00	77306.00	1.00	46160.00	1.00	39341.00	57510.00	34678.00	1.00	74889.00	37815.00	45388.00	12309.00	21241.00	36978.00	40488.00	21812.00	1.00
Cer(d18:1/16:0) Esi-1.1189996	12799.00	13408.00	10691.00	18191.00	18369.00	14437.00	19126.00	21228.00	12892.00	1.00	10417.00	13836.00	9703.00	1.00	13108.00	20626.00	1.00	10433.00	9112.00	14906.00	1.00	11747.00	1.00	8867.00	10327.00	1.00	1.00	12403.00	17194.00	16849.00
Nitroprusside	18967.00	23258.00	15394.00	19408.00	17244.00	16645.00	18770.00	16961.00	17310.00	1.00	16216.00	17375.00	28221.00	20265.00	20124.00	22273.00	15702.00	19216.00	14912.00	17618.00	19759.00	18223.00	18383.00	17302.00	21055.00	21879.00	20766.00	18866.00	16565.00	15828.00
3S-hydroxy-dodecanoic acid	6222.00	6005.00	10888.00	6024.00	5829.00	6515.00	8428.00	4324.00	5866.00	7786.00	13409.00	6608.00	6892.00	10893.00	6922.00	4548.00	7872.00	8398.00	5803.00	14890.00	4996.00	20510.00	3913.00	6826.00	13260.00	6753.00	9985.00	7622.00	5077.00	9457.00
N-Octadecyl-N'-propyl-sulfamide	17451.00	14472.00	12889.00	16013.00	16906.00	15497.00	17728.00	13543.00	17237.00	12795.00	14005.00	12826.00	15431.00	13983.00	16685.00	15263.00	14258.00	13861.00	16445.00	15452.00	12786.00	11707.00	12101.00	11732.00	12870.00	15636.00	14697.00	14501.00	15493.00	14843.00
1-(8-[5]-ladderane-octanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphoethanolamine	17763.00	1.00	15295.00	14015.00	12245.00	1.00	11238.00	12798.00	19948.00	10826.00	18451.00	11272.00	15626.00	1.00	13051.00	14151.00	16977.00	1.00	1.00	22038.00	1.00	1.00	16139.00	1.00	16352.00	15265.00	12128.00	16073.00	13324.00	19418.00
Umbelliferone	1.00	98862.00	1.00	71182.00	120038.00	117739.00	80252.00	1.00	77462.00	96117.00	64811.00	150574.00	129375.00	73983.00	67927.00	193763.00	76706.00	97787.00	60307.00	76640.00	68185.00	72733.00	64185.00	127027.00	72681.00	1.00	218106.00	70962.00	82761.00	74204.00
Flupropanate Esi-1.2479998	97385.00	107910.00	96332.00	122258.00	98714.00	96177.00	95690.00	87837.00	92608.00	99811.00	123338.00	99272.00	101813.00	112873.00	95739.00	100425.00	115997.00	100195.00	121454.00	115363.00	133174.00	105987.00	137830.00	107104.00	118014.00	115231.00	126283.00	116703.00	99019.00	124229.00
C24 H42 N2 O4	16190.00	13686.00	14289.00	16355.00	16752.00	15633.00	17058.00	14055.00	17490.00	14578.00	12823.00	16684.00	13707.00	15152.00	16594.00	15801.00	14484.00	15834.00	16886.00	16122.00	14652.00	14565.00	12847.00	14587.00	13457.00	15957.00	12855.00	15912.00	16494.00	16971.00
C5 H2 Cl O2 S	1.00	34439.00	42948.00	47233.00	40614.00	1.00	41268.00	1.00	40377.00	36964.00	33067.00	37093.00	1.00	1.00	1.00	31463.00	1.00	1.00	1.00	1.00	1.00	37438.00	30319.00	1.00	41948.00	1.00	36802.00	29958.00	1.00	37222.00
4,6-Dihydroxysulfadiazine Esi-7.050001	1.00	17292.00	19279.00	15216.00	20417.00	18821.00	1.00	1.00	14763.00	1.00	14408.00	1.00	1.00	16727.00	1.00	1.00	17494.00	1.00	1.00	18263.00	1.00	1.00	15559.00	14192.00	15953.00	1.00	1.00	16104.00	1.00	17624.00
Flupropanate Esi-1.6759998	34405.00	31676.00	25596.00	33567.00	26087.00	29263.00	25688.00	35238.00	29057.00	28457.00	39385.00	31413.00	30871.00	27540.00	31396.00	33909.00	49521.00	38513.00	23874.00	36932.00	43034.00	24463.00	39218.00	33007.00	40943.00	41684.00	42117.00	30673.00	22522.00	25927.00
C3 H5 N O3 S	23015.00	30796.00	25005.00	27247.00	24013.00	29024.00	20749.00	20335.00	25087.00	19932.00	19965.00	23535.00	24068.00	31709.00	33064.00	24969.00	24663.00	19596.00	22810.00	27808.00	24009.00	26826.00	21249.00	28188.00	33741.00	35076.00	135197.00	22347.00	22033.00	23423.00
C28 H9 N9 O21 Esi-4.586	1.00	63120.00	28988.00	28646.00	50722.00	47087.00	1.00	67036.00	62019.00	45229.00	55426.00	1.00	71099.00	62781.00	1.00	61071.00	9616.00	1.00	57979.00	46403.00	1.00	34447.00	216915.00	1.00	1.00	1.00	1.00	29493.00	1.00	1.00
PS(19:0/22:4(7Z,10Z,13Z,16Z)) Esi-5.2180004	12406.00	1.00	11656.00	16740.00	12455.00	14176.00	13295.00	10491.00	13986.00	1.00	10618.00	1.00	10857.00	1.00	13587.00	11241.00	15443.00	1.00	10401.00	17030.00	1.00	1.00	1.00	1.00	11741.00	13039.00	1.00	10700.00	1.00	18455.00
C14 H30 N14 O	1.00	12499.00	1.00	11811.00	1.00	13534.00	12932.00	1.00	1.00	11243.00	1.00	1.00	1.00	1.00	12184.00	12623.00	12940.00	12422.00	12763.00	13704.00	12765.00	1.00	14551.00	17230.00	11988.00	13504.00	14071.00	13976.00	1.00	16696.00
C9 H14 N3 O3	15454.00	14822.00	14350.00	16437.00	1.00	23999.00	12980.00	1.00	1.00	1.00	1.00	15034.00	13336.00	14275.00	1.00	1.00	1.00	1.00	1.00	22703.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
N-methylundec-10-enamide	23483.00	44792.00	21969.00	43991.00	13607.00	27789.00	33086.00	14971.00	11053.00	21572.00	8834.00	10203.00	27565.00	37464.00	14677.00	17890.00	25895.00	9585.00	1.00	67143.00	32948.00	1.00	38988.00	88094.00	23309.00	24066.00	36444.00	26418.00	9182.00	63749.00
C39 H76 N3 O2 S	17040.00	14313.00	15238.00	15403.00	16816.00	15117.00	14028.00	17125.00	16606.00	17742.00	16075.00	14684.00	15172.00	15233.00	14405.00	16401.00	15827.00	15949.00	17148.00	15136.00	14885.00	13409.00	17461.00	19251.00	15684.00	16273.00	16409.00	18014.00	16932.00	17981.00
9-Hydroxy-2,6-dichlorodibenzofuran	16677.00	18654.00	15895.00	18842.00	18571.00	17519.00	17945.00	20093.00	18620.00	17839.00	17634.00	20201.00	17140.00	17687.00	17062.00	19754.00	18117.00	19994.00	17910.00	19015.00	18357.00	17239.00	17322.00	17649.00	17137.00	19030.00	17744.00	19253.00	18637.00	17669.00
C4 H2 O3 S2 Esi-4.487	50557.00	25725.00	40930.00	39610.00	32558.00	1.00	1.00	41093.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	27892.00	1.00	1.00	1.00	1.00	1.00	1.00	36769.00	1.00	1.00	1.00	1.00
C4 H5 Cl N O Esi-2.7570004	114451.00	119646.00	144306.00	114656.00	145556.00	139705.00	101715.00	173963.00	116093.00	149138.00	62179.00	120504.00	105939.00	104585.00	113487.00	102960.00	144729.00	109560.00	49779.00	133068.00	119796.00	112385.00	107253.00	131440.00	124160.00	64678.00	117393.00	132205.00	1.00	1.00
Ile Pro Leu	12668.00	6435.00	1.00	17982.00	6716.00	1.00	1.00	5960.00	2467.00	1.00	1.00	4143.00	9045.00	1.00	1.00	1.00	9903.00	1.00	1.00	1.00	14308.00	1.00	1.00	2366.00	1.00	11860.00	3150.00	18745.00	2018.00	1.00
Kynurenine	7274.00	7864.00	18028.00	15283.00	11362.00	16411.00	9240.00	8520.00	6610.00	5145.00	5816.00	3215.00	2227.00	3660.00	2677.00	7398.00	2906.00	1.00	2297.00	4624.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
11?-(fluoromethyl)-1?,25-dihydroxyvitamin D3 / 11?-(fluoromethyl)-1?,25-dihydroxycholecalciferol	18273.00	14038.00	13436.00	14976.00	15708.00	16591.00	16386.00	18455.00	15836.00	19765.00	14431.00	17714.00	14319.00	14706.00	15717.00	15240.00	16488.00	16601.00	18265.00	16351.00	16003.00	15669.00	16686.00	15070.00	16697.00	18659.00	17462.00	17073.00	16403.00	15000.00
C8 H6 N2 O9	9736.00	1.00	11375.00	17488.00	1.00	1.00	1.00	1.00	18852.00	1.00	1.00	11182.00	1.00	1.00	13726.00	1.00	19454.00	1.00	1.00	13991.00	1.00	1.00	12126.00	1.00	13869.00	1.00	11839.00	11915.00	1.00	1.00
C5 H2 O6 S Esi-4.024	1.00	1.00	1.00	203557.00	1.00	1.00	1.00	1.00	1.00	1.00	191668.00	1.00	1.00	163659.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	177194.00	1.00	1.00	112112.00	1.00	1.00
C5 H O6 S	1.00	29232.00	19861.00	39888.00	1.00	1.00	35035.00	1.00	33642.00	1.00	39431.00	20328.00	27036.00	33962.00	23582.00	27612.00	1.00	21850.00	36245.00	23615.00	1.00	21970.00	24757.00	22251.00	24407.00	27317.00	29245.00	23713.00	19370.00	12831.00
C28 H61 N22 O2	14410.00	1.00	1.00	13939.00	10666.00	1.00	1.00	1.00	10924.00	14886.00	14620.00	10187.00	10754.00	1.00	9979.00	18394.00	1.00	1.00	1.00	1.00	1.00	1.00	12730.00	1.00	11170.00	1.00	12050.00	9265.00	10100.00	12057.00
C5 H2 Cl O2 S Esi-2.9179995	35005.00	116295.00	118476.00	22431.00	28656.00	28918.00	21249.00	133150.00	26540.00	121124.00	118303.00	19950.00	23641.00	109760.00	19658.00	1.00	27532.00	18995.00	116937.00	1.00	29009.00	21982.00	23024.00	118569.00	125066.00	115143.00	89787.00	24964.00	20848.00	24090.00
C6 H O8 S Esi-0.994	1.00	48775.00	48212.00	13424.00	22895.00	1.00	24129.00	46055.00	1.00	11445.00	16653.00	1.00	41156.00	11011.00	1.00	1.00	33324.00	17451.00	1.00	92874.00	1.00	84364.00	1.00	24483.00	6402.00	13772.00	17411.00	23667.00	19399.00	61966.00
2-oxo-pentadecanoic acid	6722.00	4582.00	8042.00	4527.00	5278.00	3269.00	6332.00	4724.00	5569.00	4657.00	13540.00	4924.00	7131.00	10064.00	4870.00	2961.00	5657.00	8193.00	4623.00	11015.00	7738.00	17240.00	1.00	5719.00	11844.00	6721.00	8652.00	6143.00	4751.00	5938.00
PE(18:2(9Z,12Z)/16:0)	1.00	1.00	9619.00	13939.00	1.00	12952.00	1.00	1.00	18878.00	10246.00	9473.00	1.00	9656.00	1.00	1.00	12133.00	1.00	1.00	1.00	13196.00	1.00	1.00	1.00	1.00	12456.00	1.00	1.00	1.00	12142.00	10090.00
C8 H5 O7 S Esi-5.335999	44969.00	57846.00	36424.00	26920.00	65915.00	1.00	58334.00	1.00	1.00	77260.00	1.00	62405.00	70190.00	43738.00	68598.00	1.00	89044.00	67887.00	52013.00	1.00	63537.00	1.00	28272.00	68791.00	28426.00	40673.00	82271.00	1.00	54061.00	1.00
MID42321:1?-hydroxy-22-(3-methylphenyl)-23,24,25,26,27-pentanorvitamin D3 / 1?-hydroxy-22-(3-methylp	16183.00	12816.00	13673.00	14825.00	15930.00	14061.00	16025.00	15476.00	12646.00	14010.00	14483.00	15772.00	14512.00	14704.00	12367.00	14074.00	13556.00	15207.00	15760.00	15236.00	14532.00	14318.00	15014.00	13599.00	14846.00	17364.00	14253.00	15219.00	13849.00	13433.00
C44 H89 N O8 S3	17390.00	14144.00	1.00	11314.00	11419.00	14817.00	1.00	1.00	1.00	11653.00	1.00	1.00	10448.00	1.00	1.00	1.00	1.00	9250.00	10453.00	1.00	1.00	1.00	1.00	1.00	14450.00	1.00	9785.00	1.00	1.00	1.00
PE(O-20:0/20:5(5Z,8Z,11Z,14Z,17Z)) Esi-4.5	14409.00	16184.00	1.00	13662.00	16115.00	13013.00	18027.00	13518.00	16595.00	1.00	11188.00	11707.00	10425.00	1.00	17692.00	18059.00	12657.00	15335.00	1.00	11962.00	1.00	10116.00	1.00	1.00	10705.00	15962.00	1.00	14067.00	12422.00	17067.00
PS(18:1(9Z)/17:0)	11987.00	1.00	15253.00	10135.00	18267.00	12437.00	1.00	1.00	14342.00	10457.00	14013.00	1.00	11424.00	1.00	1.00	12316.00	10326.00	1.00	1.00	15248.00	1.00	1.00	12215.00	12908.00	17896.00	1.00	1.00	1.00	1.00	13221.00
PE(16:1(9Z)/20:3(5Z,8Z,11Z))	1.00	1.00	12784.00	18253.00	11306.00	13434.00	1.00	1.00	19987.00	1.00	12997.00	11122.00	12647.00	1.00	14138.00	16898.00	14313.00	1.00	1.00	16089.00	1.00	11783.00	13903.00	1.00	12380.00	10831.00	1.00	1.00	15208.00	16106.00
Umbelliferone Esi-5.2080016	99667.00	96127.00	77801.00	122199.00	84216.00	80931.00	83492.00	47390.00	98439.00	66006.00	81236.00	103812.00	118307.00	74464.00	84750.00	84238.00	125443.00	80673.00	98656.00	83933.00	93036.00	73332.00	94549.00	113168.00	83232.00	114675.00	85067.00	68450.00	61893.00	93310.00
3-oxo-tridecanoic acid	6946.00	4040.00	8260.00	3706.00	5446.00	4785.00	6551.00	4401.00	4687.00	6425.00	12208.00	5707.00	7493.00	9548.00	5975.00	4198.00	7608.00	7683.00	4835.00	10319.00	6810.00	17088.00	1.00	4588.00	11826.00	6872.00	8033.00	6526.00	5190.00	7334.00
Palmitoyl glucuronide	12470.00	10178.00	11352.00	9574.00	11730.00	10930.00	12014.00	12018.00	12089.00	13232.00	12177.00	12113.00	13177.00	11662.00	10970.00	12585.00	10430.00	11872.00	14539.00	11402.00	10584.00	11962.00	13387.00	10181.00	11147.00	11118.00	11992.00	12494.00	12611.00	11888.00
C5 H O5 S Esi-5.316	44685.00	39589.00	41705.00	43954.00	58859.00	50996.00	50904.00	31807.00	44955.00	48099.00	51719.00	52906.00	41280.00	64686.00	52122.00	38639.00	55607.00	62236.00	45272.00	38489.00	101951.00	34579.00	44816.00	31476.00	36799.00	52627.00	37505.00	54805.00	51768.00	66086.00
C20 H34 N2 O4	11544.00	10857.00	10487.00	11942.00	12648.00	12329.00	11503.00	11433.00	11869.00	12463.00	11153.00	11964.00	13657.00	13336.00	11247.00	11783.00	11472.00	11599.00	13352.00	15009.00	12358.00	12920.00	13614.00	15288.00	11581.00	12084.00	13463.00	12268.00	12486.00	14958.00
C39 H69 N6 O6	1.00	1.00	1.00	12888.00	1.00	1.00	1.00	1.00	16680.00	1.00	10712.00	1.00	1.00	1.00	1.00	14015.00	1.00	1.00	1.00	13046.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10596.00	9607.00
C20 H29 N6 O20	11577.00	1.00	1.00	13048.00	14184.00	14165.00	10571.00	10426.00	10730.00	11125.00	12927.00	1.00	12670.00	13798.00	14484.00	1.00	13510.00	13610.00	12339.00	13558.00	16426.00	12134.00	12423.00	14367.00	14638.00	9110.00	11004.00	12780.00	11443.00	16760.00
C6 H8 Cl Esi-5.2042	142722.00	92565.00	109181.00	121691.00	120822.00	107673.00	114090.00	71366.00	124209.00	94293.00	110294.00	102262.00	103339.00	163697.00	108724.00	129413.00	127055.00	154313.00	91460.00	127046.00	99484.00	96649.00	130235.00	96695.00	117337.00	156847.00	116657.00	103868.00	88172.00	121407.00
2-methylene-4-oxo-pentanedioic acid Esi-5.14	264747.00	698387.00	203455.00	494387.00	375874.00	496140.00	117798.00	1.00	502861.00	133048.00	202573.00	437846.00	466468.00	700061.00	345379.00	568268.00	247330.00	231115.00	288789.00	255962.00	252046.00	200590.00	250585.00	703103.00	524104.00	312674.00	52086.00	517580.00	680730.00	365933.00
2-methylene-4-oxo-pentanedioic acid Esi-5.817001	62456.00	31378.00	36895.00	118622.00	32445.00	33336.00	1.00	1.00	43725.00	31987.00	33382.00	1.00	1.00	95968.00	30967.00	35732.00	1.00	28355.00	1.00	39923.00	23082.00	168393.00	1.00	41288.00	39080.00	1.00	1.00	28720.00	1.00	125290.00
Thioglycolate Esi-2.055	43128.00	43491.00	40083.00	43478.00	36333.00	39915.00	45035.00	39063.00	40131.00	40633.00	45837.00	44046.00	42142.00	43129.00	44458.00	46278.00	43054.00	44012.00	46515.00	45375.00	41157.00	44754.00	42395.00	43765.00	45773.00	44723.00	50276.00	45099.00	44671.00	44281.00
Merbromin	1.00	14305.00	13371.00	15086.00	14593.00	13090.00	14992.00	15760.00	14239.00	14658.00	12575.00	13879.00	14213.00	14273.00	13781.00	1.00	14699.00	14264.00	14037.00	13172.00	1.00	13813.00	13398.00	14868.00	13182.00	13859.00	14204.00	14636.00	16120.00	12408.00
Citiolone Esi-5.1880016	77720.00	64881.00	47038.00	83497.00	124102.00	65092.00	58398.00	50901.00	85324.00	71787.00	79707.00	69218.00	115087.00	1.00	75076.00	74838.00	45504.00	1.00	1.00	136356.00	1.00	81921.00	92669.00	113067.00	105793.00	114975.00	123685.00	67787.00	67226.00	83378.00
sec-o-Glucosylhamaudol	18740.00	26126.00	18693.00	15151.00	14886.00	18138.00	16761.00	16940.00	17582.00	18301.00	16882.00	16820.00	17859.00	18303.00	16967.00	13262.00	21213.00	15214.00	18847.00	14358.00	25086.00	15452.00	16620.00	18782.00	17855.00	18638.00	16806.00	18454.00	17424.00	15126.00
15-hydroxy stearic acid	7758.00	3376.00	12133.00	6422.00	4514.00	5464.00	6524.00	3932.00	6381.00	3058.00	4267.00	8623.00	14277.00	5630.00	4108.00	4604.00	8330.00	3721.00	3675.00	9151.00	5771.00	9561.00	8877.00	9749.00	4589.00	10670.00	14909.00	6025.00	5157.00	5781.00
Itaconic acid	11900.00	12817.00	14898.00	17124.00	15414.00	18071.00	1.00	14029.00	12190.00	1.00	15044.00	15649.00	19733.00	17963.00	13811.00	13727.00	12588.00	1.00	1.00	14175.00	11970.00	16502.00	1.00	20873.00	15372.00	21408.00	18167.00	16138.00	12216.00	22207.00
Citiolone Esi-5.1929994	77720.00	90062.00	23222.00	84152.00	124110.00	62922.00	58393.00	50901.00	86086.00	67910.00	78409.00	70564.00	115188.00	120222.00	72854.00	30485.00	38129.00	81136.00	82526.00	80672.00	98697.00	81136.00	138050.00	112924.00	65837.00	114299.00	123517.00	23286.00	70812.00	82022.00
C4 H3 N3 S3 Esi-2.0470006 :1	1.00	30550.00	17713.00	36642.00	1.00	1.00	24365.00	1.00	33894.00	1.00	43283.00	22666.00	25109.00	33508.00	24134.00	29320.00	1.00	1.00	36328.00	25359.00	1.00	34381.00	25270.00	21153.00	19293.00	24229.00	21261.00	28162.00	25618.00	23934.00
C4 H5 Cl N O Esi-5.814962	19991.00	61297.00	73568.00	67244.00	39953.00	48294.00	1.00	38311.00	48654.00	54355.00	57938.00	48859.00	73149.00	22258.00	49443.00	94478.00	75218.00	80859.00	79582.00	52185.00	1.00	54343.00	38068.00	44863.00	30465.00	1.00	71708.00	64303.00	1.00	18092.00
C46 H65 N10 O	15120.00	1.00	1.00	13297.00	1.00	1.00	1.00	1.00	11842.00	1.00	15672.00	1.00	1.00	1.00	1.00	10412.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14039.00	1.00	1.00	1.00	1.00	12213.00
2,2-Dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-benzopyran-7-ol acetate	17923.00	16619.00	15513.00	18980.00	18610.00	1.00	19630.00	22624.00	21344.00	17211.00	19724.00	20355.00	9820.00	1.00	17646.00	19421.00	14993.00	15352.00	1.00	24635.00	1.00	13552.00	1.00	9802.00	16577.00	1.00	15851.00	15415.00	19636.00	16443.00
Cer(d18:2/22:0)	1.00	10810.00	10323.00	15574.00	13598.00	9808.00	13134.00	1.00	9573.00	1.00	1.00	12735.00	10009.00	1.00	11113.00	14300.00	12144.00	1.00	1.00	12784.00	1.00	1.00	1.00	1.00	9597.00	1.00	1.00	1.00	11936.00	12645.00
C32 H13 N7 O29 Esi-2.7929995	185310.00	126673.00	31192.00	201546.00	56275.00	195672.00	111476.00	117410.00	74277.00	121134.00	132490.00	110625.00	77155.00	148144.00	72449.00	123435.00	199885.00	237180.00	265569.00	120294.00	141814.00	168640.00	124632.00	60055.00	148711.00	130010.00	110581.00	37075.00	75405.00	108811.00
C19 H34 N7 O	11886.00	10693.00	11597.00	11164.00	10544.00	11625.00	11049.00	11717.00	11443.00	10884.00	12554.00	10766.00	11553.00	12598.00	10255.00	11656.00	10646.00	10716.00	12649.00	12887.00	12853.00	11734.00	12337.00	11827.00	11317.00	12002.00	12334.00	12394.00	12706.00	12278.00
C3 H2 Cl O Esi-2.7409997	192402.00	205139.00	205190.00	204456.00	199689.00	203585.00	194558.00	213801.00	203545.00	203064.00	191636.00	191238.00	191070.00	190786.00	208240.00	196080.00	199095.00	197385.00	194559.00	194958.00	191324.00	193001.00	194991.00	195812.00	197195.00	198347.00	202258.00	88219.00	200598.00	183766.00
5-Fluoromuconolactone Esi-7.3440013 :1	20195.00	1.00	1.00	14787.00	1.00	14641.00	12616.00	1.00	1.00	1.00	17503.00	10378.00	33283.00	1.00	1.00	1.00	16715.00	14381.00	13043.00	17024.00	1.00	1.00	17583.00	1.00	22497.00	1.00	13134.00	15030.00	1.00	22993.00
6-Hydroxyluteolin 6-glucoside-3'-rhamnoside	1.00	1.00	1.00	9957.00	9234.00	9729.00	1.00	1.00	1.00	1.00	1.00	1.00	9602.00	10953.00	10117.00	1.00	9966.00	10131.00	9161.00	9549.00	12145.00	1.00	9168.00	10463.00	10972.00	1.00	1.00	9420.00	1.00	11641.00
C6 H3 N S3 Esi-1.4909998	129955.00	48037.00	68065.00	191681.00	191521.00	67144.00	40309.00	1.00	45354.00	158409.00	64205.00	61757.00	1.00	58782.00	105528.00	60310.00	1.00	56600.00	1.00	28573.00	61284.00	59102.00	81259.00	33437.00	55990.00	93782.00	1.00	1.00	60792.00	56184.00
PE(18:2(9Z,12Z)/19:1(9Z)) Esi-4.5319996	15163.00	1.00	10493.00	17763.00	14778.00	12756.00	10682.00	13448.00	16148.00	10324.00	13618.00	12016.00	15980.00	1.00	9917.00	15946.00	11949.00	1.00	9908.00	12941.00	1.00	1.00	18467.00	11059.00	14979.00	14792.00	19350.00	11009.00	13345.00	1.00
C3 H2 N3 O2 Esi-4.0540004	1.00	1.00	1.00	84899.00	200332.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	240234.00	80032.00	1.00	236808.00	1.00	195433.00	1.00	1.00	1.00	1.00	1.00	218289.00	1.00	1.00	1.00	283209.00	1.00	141103.00
17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carboxylic acid, gamma-lactone Esi-0.96999985	20681.00	25273.00	18135.00	16940.00	22257.00	39639.00	19465.00	14757.00	22050.00	18576.00	17663.00	29185.00	25798.00	16107.00	21119.00	23496.00	18306.00	16104.00	16372.00	20245.00	27825.00	16085.00	19401.00	27376.00	21510.00	30099.00	90414.00	24228.00	20592.00	23366.00
C7 H3 O8 S Esi-2.9850004	104706.00	130311.00	115593.00	101386.00	100015.00	109575.00	110704.00	133086.00	150768.00	140221.00	129340.00	127412.00	18467.00	1.00	1.00	122901.00	91054.00	119655.00	123172.00	109505.00	143339.00	126660.00	111125.00	98904.00	1.00	1.00	124061.00	133674.00	120413.00	116086.00
MID42323:1?,25-dihydroxy-26,27-dimethyl-20,21,22,22,23,23-hexadehydrovitamin D3 / 1?,25-dihydroxy-26	8526.00	7077.00	5691.00	8598.00	8483.00	8543.00	8012.00	6402.00	7637.00	8109.00	9782.00	11449.00	9030.00	5624.00	6790.00	7111.00	8758.00	6095.00	6203.00	9067.00	6041.00	7942.00	8151.00	6587.00	7529.00	5405.00	10738.00	7113.00	6139.00	6034.00
C30 H57 N29 O5	10933.00	1.00	12270.00	12817.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10137.00	1.00	10560.00	1.00	1.00	1.00	1.00	1.00	11195.00	12117.00	1.00	1.00	10471.00	12039.00
Irigenin, Dibenzyl Ether	10493.00	8368.00	8001.00	6672.00	7187.00	7993.00	7368.00	7424.00	7347.00	6859.00	9013.00	7923.00	8578.00	7901.00	8592.00	7236.00	8140.00	7478.00	7809.00	7524.00	11230.00	7785.00	8058.00	8412.00	7405.00	7793.00	8149.00	7877.00	8596.00	8069.00
Azamethiphos	23759.00	23810.00	26286.00	29241.00	31313.00	19019.00	37413.00	31965.00	28323.00	28672.00	21461.00	35827.00	26929.00	1.00	23242.00	37559.00	23959.00	31752.00	23185.00	40164.00	15927.00	13168.00	33365.00	19794.00	19339.00	1.00	27645.00	30643.00	31228.00	35520.00
Gemfibrozil, metabolite II Esi-1.1340003	51849.00	37420.00	42443.00	44588.00	41898.00	45026.00	26257.00	44590.00	36841.00	32819.00	31382.00	40805.00	38486.00	32507.00	25052.00	40574.00	50846.00	25617.00	26340.00	41849.00	36265.00	33138.00	24520.00	33097.00	40411.00	46935.00	49667.00	52800.00	27339.00	37609.00
Furmecyclox	5617.00	9148.00	4070.00	5656.00	6033.00	4483.00	3589.00	5642.00	5656.00	4752.00	4928.00	6643.00	4223.00	4270.00	2636.00	6933.00	5366.00	12394.00	6560.00	3571.00	7247.00	2447.00	4460.00	2128.00	6122.00	5908.00	12007.00	8751.00	5083.00	6917.00
C5 H O4 S Esi-4.5	1.00	128041.00	1.00	440342.00	219917.00	179799.00	205926.00	1.00	62089.00	68475.00	518999.00	152049.00	54706.00	509106.00	59840.00	61371.00	62550.00	181063.00	53345.00	161868.00	46386.00	63209.00	64553.00	223147.00	573615.00	1.00	51050.00	447685.00	131384.00	1.00
C34 H30 N O2	14441.00	14822.00	14531.00	14867.00	1.00	15324.00	1.00	1.00	1.00	1.00	1.00	12926.00	13686.00	13948.00	1.00	1.00	1.00	1.00	1.00	14772.00	1.00	12755.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C22 H14 N10 O16 Esi-2.9840002	1.00	1.00	12868.00	16457.00	20494.00	1.00	25727.00	17711.00	13043.00	14831.00	1.00	27353.00	13266.00	1.00	1.00	26168.00	1.00	18181.00	1.00	28390.00	1.00	29150.00	21823.00	1.00	1.00	1.00	12662.00	16986.00	17637.00	24158.00
C27 H41 N14 O10	9703.00	5364.00	4731.00	6895.00	5159.00	5680.00	8333.00	4361.00	5747.00	8996.00	9070.00	7569.00	6481.00	5162.00	7146.00	5564.00	11325.00	6411.00	8794.00	8101.00	6044.00	5417.00	9380.00	5105.00	12100.00	6318.00	5505.00	8850.00	7819.00	4638.00
(S)-2-Hydroxypropyl-CoM Esi-1.0550002	81459.00	61603.00	1.00	29511.00	91745.00	1.00	61279.00	1.00	46991.00	89464.00	46888.00	87786.00	49471.00	77306.00	1.00	38678.00	1.00	39341.00	42024.00	27811.00	1.00	74889.00	73789.00	45388.00	12013.00	21241.00	36978.00	40488.00	21812.00	1.00
C4 H5 Cl N O Esi-5.3249993	73087.00	1.00	25416.00	67035.00	1.00	144601.00	1.00	20805.00	140892.00	1.00	178627.00	1.00	79789.00	1.00	18109.00	23663.00	1.00	1.00	1.00	36071.00	131124.00	226931.00	241039.00	1.00	48725.00	80647.00	44097.00	1.00	119405.00	1.00
C40 H63 O2	1.00	9911.00	1.00	11696.00	11166.00	9577.00	14410.00	11019.00	1.00	1.00	1.00	12546.00	1.00	1.00	1.00	11912.00	1.00	1.00	1.00	11764.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10422.00	9974.00
C3 H5 O3 S3	34343.00	30501.00	1.00	14827.00	1.00	118173.00	14190.00	28705.00	1.00	1.00	1.00	30199.00	1.00	1.00	28131.00	1.00	28122.00	1.00	29977.00	28711.00	29978.00	1.00	1.00	30431.00	28395.00	1.00	29652.00	1.00	69820.00	31380.00
C33 H62 N12	1.00	1.00	1.00	11120.00	11562.00	1.00	1.00	1.00	1.00	1.00	9772.00	1.00	1.00	1.00	1.00	10620.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12218.00	1.00	1.00	1.00	1.00	10575.00
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol	14059.00	14685.00	15154.00	14597.00	14828.00	9601.00	9553.00	11613.00	16263.00	10571.00	8766.00	10780.00	13317.00	4285.00	12237.00	12957.00	12194.00	10526.00	6786.00	8612.00	4047.00	7226.00	9651.00	9646.00	11204.00	9570.00	11221.00	9145.00	8473.00	11054.00
6,8-Dihydroxypurine Esi-1.9399997	23627.00	40957.00	21036.00	63875.00	68431.00	47758.00	127029.00	66400.00	68245.00	17589.00	60665.00	169903.00	65053.00	25892.00	68423.00	122914.00	32396.00	84029.00	31809.00	123815.00	1.00	188595.00	61042.00	34382.00	35067.00	18219.00	24788.00	69932.00	113854.00	79851.00
C29 H15 N2 O26 Esi-5.4442725	23031.00	1.00	12261.00	10093.00	1.00	1.00	49326.00	1.00	23019.00	1.00	64434.00	1.00	50516.00	1.00	1.00	1.00	181593.00	1.00	1.00	30411.00	1.00	1.00	1.00	1.00	29865.00	1.00	1.00	1.00	1.00	55253.00
Iopodic acid	9814.00	10849.00	11213.00	9846.00	1.00	11772.00	9017.00	1.00	12086.00	1.00	1.00	1.00	14558.00	10279.00	12613.00	10591.00	9685.00	8929.00	10722.00	10555.00	12508.00	12728.00	1.00	10263.00	12858.00	12448.00	10600.00	9672.00	1.00	10795.00
4-Chlorochalcone Esi-1.1350001	40202.00	27619.00	37132.00	34948.00	36861.00	36680.00	28425.00	38577.00	44165.00	42124.00	13499.00	9968.00	11684.00	12316.00	10387.00	1.00	1.00	1.00	20589.00	1.00	1.00	12075.00	9971.00	1.00	1.00	25508.00	13198.00	1.00	1.00	25379.00
C6 H5 Cl S Esi-2.7519996	173666.00	191565.00	190340.00	184715.00	95350.00	183955.00	130323.00	190518.00	62272.00	183080.00	29555.00	29102.00	177904.00	177005.00	30308.00	181533.00	182640.00	184146.00	81616.00	191316.00	87374.00	178491.00	173908.00	183462.00	174427.00	180711.00	26809.00	182584.00	183915.00	173917.00
C17 H26 O4 Esi-0.8232222	1.00	25022.00	1.00	20803.00	1.00	1.00	1.00	1.00	1.00	13379.00	1.00	1.00	1.00	1.00	1.00	25665.00	1.00	1.00	32151.00	1.00	28820.00	1.00	1.00	1.00	1.00	1.00	13427.00	28114.00	1.00	44804.00
Vitexin 2''-O-rhamnoside-4'''-acetate Esi-1.1569998	11508.00	9922.00	11072.00	10399.00	12020.00	12270.00	14151.00	15173.00	11379.00	9544.00	1.00	1.00	11616.00	11325.00	11014.00	1.00	13172.00	10469.00	10043.00	10461.00	12034.00	1.00	1.00	1.00	11194.00	1.00	1.00	9976.00	1.00	11740.00
C5 H2 Cl O2 S Esi-2.052	1.00	42993.00	42879.00	51174.00	40619.00	1.00	41346.00	1.00	40102.00	1.00	24115.00	37093.00	1.00	1.00	1.00	44349.00	1.00	37456.00	1.00	1.00	1.00	38538.00	31786.00	1.00	44963.00	1.00	34462.00	29538.00	1.00	38644.00
Amidosulfuron	6853.00	4620.00	4787.00	7126.00	7906.00	8829.00	5058.00	6440.00	5422.00	5870.00	6331.00	4800.00	7384.00	8627.00	6957.00	4521.00	6238.00	7434.00	5484.00	8745.00	7281.00	5168.00	8338.00	8142.00	8211.00	4750.00	5559.00	7042.00	6903.00	6826.00
C7 H3 O8 S Esi-1.0689232	57066.00	38453.00	29625.00	53198.00	146255.00	1.00	50593.00	169809.00	22230.00	1.00	53094.00	15657.00	41500.00	1.00	78869.00	12520.00	75363.00	11902.00	32984.00	11673.00	39673.00	1.00	53163.00	48523.00	59258.00	48162.00	23001.00	115197.00	40432.00	18614.00
(S)-2-Hydroxypropyl-CoM Esi-1.0489999	81482.00	61603.00	34778.00	29265.00	62419.00	1.00	37747.00	35463.00	83085.00	60064.00	36278.00	37001.00	23520.00	70686.00	15488.00	38057.00	13964.00	11855.00	53271.00	16403.00	1.00	69302.00	37815.00	80560.00	17356.00	48621.00	24860.00	14593.00	16331.00	69544.00
C3 H2 O2	23194.00	13331.00	18793.00	30301.00	16577.00	28111.00	12147.00	33532.00	29000.00	25182.00	27455.00	19534.00	29506.00	71322.00	18994.00	28389.00	31506.00	23321.00	18292.00	27334.00	18382.00	37560.00	1.00	30872.00	26424.00	25666.00	23208.00	24717.00	18982.00	38921.00
C29 H15 N2 O26 Esi-5.769222	1.00	1.00	26750.00	20543.00	1.00	1.00	41522.00	29608.00	30715.00	1.00	13807.00	1.00	1.00	40682.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	29918.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	60891.00
N'-Nitrosoanabasine Esi-1.1399997	30650.00	27264.00	19047.00	28042.00	27726.00	29442.00	22451.00	32310.00	23155.00	22588.00	25540.00	29942.00	33219.00	25584.00	26582.00	30740.00	35665.00	28993.00	26942.00	25849.00	30283.00	22836.00	20156.00	27138.00	29625.00	33618.00	41653.00	37065.00	26374.00	28109.00
C6 H3 N S3 Esi-1.7789996	109464.00	82447.00	115473.00	109704.00	112769.00	72249.00	117764.00	93311.00	222802.00	1.00	285021.00	106415.00	37994.00	210336.00	57587.00	49259.00	99393.00	1.00	105762.00	53455.00	266704.00	91518.00	107221.00	63906.00	71657.00	186590.00	62347.00	253939.00	63861.00	1.00
F-Honaucin A Esi-5.166	1.00	97768.00	48332.00	112630.00	126084.00	94563.00	94955.00	1.00	1.00	125253.00	139323.00	1.00	123601.00	126092.00	112061.00	139580.00	1.00	1.00	1.00	1.00	1.00	127833.00	1.00	137492.00	1.00	1.00	1.00	1.00	1.00	47173.00
C4 H3 Cl2 O4	9070.00	13328.00	12239.00	10562.00	11695.00	10246.00	9757.00	12464.00	9226.00	14905.00	9065.00	11640.00	9622.00	9616.00	11766.00	7674.00	12854.00	9031.00	10842.00	12812.00	12169.00	10556.00	9781.00	12275.00	13216.00	12228.00	8855.00	13171.00	11162.00	10629.00
Tropolone Esi-1.1219999	1.00	1.00	1.00	15624.00	1.00	1.00	36168.00	1.00	10554.00	1.00	1.00	10843.00	1.00	1.00	1.00	11227.00	18567.00	1.00	1.00	1.00	1.00	33184.00	16477.00	1.00	1.00	1.00	1.00	1.00	1.00	32801.00
Flupropanate Esi-2.1209993	113779.00	116307.00	196059.00	16642.00	236896.00	191297.00	88374.00	310571.00	113149.00	217107.00	79390.00	141622.00	1.00	1.00	117174.00	1.00	228000.00	87886.00	78165.00	164122.00	149804.00	139099.00	104451.00	178137.00	179194.00	101544.00	116131.00	140613.00	1.00	154769.00
C7 H3 O8 S Esi-2.991	104804.00	96215.00	110557.00	83238.00	97128.00	116424.00	113957.00	136524.00	110359.00	132856.00	102290.00	125405.00	57933.00	105170.00	102148.00	92064.00	90927.00	125304.00	1.00	108774.00	143278.00	1.00	131371.00	106347.00	94568.00	119101.00	1.00	126167.00	126416.00	133045.00
C6 H8 Cl Esi-4.1129994	1.00	1.00	1.00	115465.00	1.00	1.00	1.00	1.00	1.00	144946.00	142834.00	1.00	1.00	92242.00	1.00	83137.00	1.00	1.00	1.00	107510.00	1.00	107917.00	1.00	39101.00	130286.00	1.00	149880.00	1.00	1.00	162351.00
Imetit Esi-5.190001	108945.00	163949.00	65787.00	184170.00	187645.00	135972.00	178633.00	90695.00	131978.00	92695.00	136820.00	111309.00	147760.00	197774.00	195995.00	128392.00	144396.00	195235.00	94536.00	190522.00	185060.00	130779.00	156603.00	122321.00	154656.00	212153.00	156590.00	120896.00	101230.00	218432.00
C6 H9 N3 O4	1.00	1.00	1.00	1.00	220842.00	211006.00	1.00	1.00	555311.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	332639.00	1.00	528356.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C9 H2 N3 O2 S2	28891.00	52944.00	1.00	1.00	229038.00	80244.00	93138.00	1.00	108819.00	1.00	29718.00	428020.00	1.00	1.00	120941.00	178234.00	1.00	188681.00	78086.00	265655.00	1.00	90543.00	28293.00	1.00	1.00	16771.00	34127.00	108715.00	158670.00	1.00
C30 H24 N4 O30 S2 Esi-3.786053	1.00	237620.00	95739.00	1.00	306849.00	1.00	511920.00	1.00	433903.00	75584.00	82416.00	1.00	247629.00	1.00	79448.00	1.00	1.00	581317.00	246553.00	320539.00	95696.00	1.00	578428.00	151960.00	1.00	344473.00	70435.00	1.00	271634.00	103270.00
C28 H9 N9 O21 Esi-2.956	65582.00	1.00	1.00	1.00	1.00	1.00	61197.00	529308.00	1.00	135659.00	26649.00	170734.00	148772.00	56236.00	1.00	255926.00	27465.00	1.00	1.00	116947.00	1.00	1.00	1.00	27222.00	89313.00	1.00	1.00	358028.00	1.00	1.00
Diguanosine pentaphosphate Esi-11.803713	1.00	1.00	1.00	1.00	1.00	38951.00	12158.00	1.00	37167.00	18571.00	1.00	1.00	39249.00	1.00	139311.00	87515.00	1.00	1.00	61968.00	32400.00	45044.00	1.00	52832.00	22155.00	1.00	29220.00	1.00	29792.00	1.00	1.00
C27 H13 N5 O25 Esi-1.5340002	1.00	1.00	2263138.00	1.00	1.00	1.00	1.00	1.00	108469.00	1.00	1.00	1.00	1.00	1.00	186409.00	1.00	1.00	1.00	1.00	188976.00	112080.00	145904.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	51950.00
C31 H19 N8 O27 S Esi-10.088	1.00	119122.00	327016.00	1.00	1.00	1.00	1.00	1.00	1.00	277744.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	75881.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	441567.00	1.00	154240.00
C30 H24 N4 O30 S2 Esi-12.3408575	1.00	1.00	1.00	1.00	1.00	21939.00	1.00	22589.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	77525.00	1.00	1.00	125400.00	28770.00	1.00	1.00	1.00	1.00	1.00	1.00	15479.00	71474.00	1.00	1.00
C28 H9 N9 O21 Esi-1.8290769	98339.00	294367.00	156868.00	1.00	1.00	1.00	1.00	541674.00	1.00	1.00	99911.00	377288.00	1.00	1.00	43592.00	1.00	1.00	1.00	1.00	79625.00	80442.00	53283.00	1.00	1.00	734132.00	1.00	146623.00	1.00	246357.00	1.00
C30 H24 N4 O30 S2 Esi-5.537	24075.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	17577.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	96649.00	1.00	1.00	1.00	1.00	142790.00	1.00	1.00	1.00	1.00	16539.00
Flucytosine	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	303198.00	166124.00	1.00	1.00	156509.00	1.00	270369.00	270587.00	1.00	1.00	458386.00	1.00	260627.00	318921.00	1.00	214296.00	1.00	445143.00	39008.00	1.00	426517.00
Diguanosine pentaphosphate Esi-9.627	102054.00	1.00	1.00	1.00	1.00	25697.00	1.00	28180.00	1.00	1.00	24240.00	1.00	34573.00	55339.00	69470.00	1.00	1.00	1.00	1.00	76454.00	60111.00	1.00	1.00	1.00	1.00	1.00	15023.00	1.00	1.00	145189.00
Urocanic acid	18115.00	19581.00	22382.00	1.00	21661.00	13868.00	1.00	13289.00	17457.00	1.00	1.00	12826.00	21028.00	16572.00	21644.00	21906.00	20223.00	29988.00	129462.00	24544.00	15214.00	23649.00	19462.00	22171.00	15120.00	1.00	63027.00	23598.00	15088.00	23102.00
C30 H24 N4 O30 S2 Esi-5.52	19433.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	19119.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	95318.00	1.00	1.00	1.00	1.00	144862.00	1.00	1.00	1.00	1.00	16764.00
C5 H2 O6 S Esi-3.552	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	488334.00	326626.00	1.00	1.00	1.00	1.00	1.00	1.00	254526.00	1.00	1.00	310268.00	1.00	316711.00	416943.00	1.00	1.00	1.00	410721.00	1.00	1.00	308731.00
C30 H24 N4 O30 S2 Esi-10.691	1.00	1.00	1.00	1.00	1.00	1.00	20453.00	37707.00	1.00	1.00	70452.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	65980.00	66404.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
Diguanosine pentaphosphate Esi-5.211	1.00	1.00	1.00	1.00	1.00	7928.00	1.00	1.00	32834.00	94386.00	1.00	1.00	29127.00	1.00	1.00	1.00	164149.00	1.00	1.00	129692.00	1.00	41073.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	19205.00
C28 H9 N9 O21 Esi-9.609883	59926.00	1.00	1.00	1.00	1.00	45436.00	38783.00	1.00	1.00	109352.00	28000.00	1.00	55400.00	12128.00	16088.00	1.00	1.00	17433.00	31186.00	30317.00	10184.00	1.00	31225.00	34074.00	1.00	1.00	23116.00	1.00	17006.00	89413.00
C30 H24 N4 O30 S2 Esi-7.349	1.00	1.00	1.00	1.00	36664.00	1.00	25364.00	12722.00	1.00	1.00	1.00	1.00	30651.00	1.00	15948.00	1.00	1.00	1.00	1.00	81715.00	1.00	1.00	1.00	1.00	1.00	1.00	25836.00	22629.00	1.00	20618.00
C3 H2 N3 S	1.00	51357.00	1.00	1.00	63769.00	1.00	1.00	1.00	1.00	77380.00	73777.00	49567.00	67305.00	56214.00	95462.00	62732.00	88806.00	64579.00	1.00	74660.00	80350.00	57545.00	48169.00	102187.00	1.00	1.00	73615.00	79272.00	57016.00	41703.00
C28 H9 N9 O21 Esi-10.078	1.00	1.00	1.00	1.00	37835.00	1.00	17530.00	1.00	1.00	113968.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	25568.00	1.00	1.00	1.00	1.00	1.00	1.00	25235.00	9865.00	16883.00	47681.00
C9 H15 N O5	13587.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	64543.00	1.00	1.00	1.00	1.00	16021.00	1.00	1.00	1.00	1.00	1.00	31827.00	1.00	1.00	52944.00	1.00	83649.00	1.00	1.00	1.00	1.00	1.00
C9 H9 N2 O3 S	1.00	1.00	1.00	1.00	33379.00	32694.00	1.00	1.00	84813.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	54669.00	1.00	81531.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C28 H9 N9 O21 Esi-12.002264	1.00	1.00	48539.00	1.00	38432.00	31504.00	1.00	17879.00	10245.00	36937.00	1.00	1.00	50613.00	1.00	33280.00	16720.00	1.00	1.00	28340.00	37761.00	1.00	18944.00	49458.00	50411.00	34923.00	1.00	11630.00	24393.00	37474.00	70036.00
3-Aminopropanesulphonic Acid	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	175278.00	210607.00	193826.00	1.00	1.00	61901.00	1.00	106963.00	199185.00	1.00	1.00	130376.00	1.00	1.00	1.00	103825.00	124564.00	1.00	95189.00	132579.00	1.00	245735.00
5-Fluoromuconolactone Esi-2.1160002	1.00	145856.00	255213.00	1.00	285638.00	252789.00	124525.00	346884.00	1.00	264213.00	1.00	195738.00	1.00	110800.00	155984.00	1.00	279921.00	102174.00	1.00	250035.00	183702.00	206633.00	130082.00	234073.00	249476.00	129563.00	154488.00	185308.00	1.00	199192.00
Diguanosine pentaphosphate Esi-9.612	94225.00	1.00	1.00	1.00	1.00	31601.00	1.00	28088.00	1.00	1.00	23874.00	1.00	41058.00	57018.00	1.00	1.00	1.00	1.00	1.00	74749.00	60070.00	1.00	1.00	1.00	1.00	1.00	34291.00	1.00	1.00	142473.00
C31 H20 N8 O26 S2 Esi-11.9681425	1.00	1.00	1.00	1.00	1.00	43114.00	1.00	23180.00	22716.00	53115.00	1.00	1.00	40008.00	1.00	139278.00	92681.00	1.00	1.00	203537.00	34548.00	13274.00	1.00	53511.00	46730.00	1.00	1.00	1.00	31913.00	1.00	88203.00
C8 H3 N2 O2 Esi-2.114	1.00	1.00	179621.00	1.00	235087.00	192276.00	1.00	298017.00	1.00	197861.00	1.00	134182.00	1.00	1.00	113206.00	1.00	199119.00	1.00	1.00	152448.00	52953.00	126772.00	1.00	172472.00	158538.00	92781.00	1.00	142775.00	1.00	135491.00
C30 H24 N4 O30 S2 Esi-10.313	1.00	1.00	1.00	1.00	18677.00	1.00	1.00	79013.00	1.00	40556.00	1.00	47984.00	1.00	1.00	21253.00	76796.00	1.00	1.00	1.00	28297.00	1.00	1.00	1.00	1.00	31843.00	1.00	19164.00	1.00	103311.00	1.00
(Methylthio)acetic acid	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	17764.00	1.00	1.00	1.00	13167.00	1.00	15286.00	62809.00	22452.00	1.00	1.00	14297.00	1.00	1.00	16478.00	13290.00	19797.00	17527.00	36362.00	11879.00	1.00	35468.00
Diguanosine pentaphosphate Esi-9.451001	1.00	1.00	1.00	1.00	1.00	1.00	33204.00	1.00	59434.00	1.00	24264.00	1.00	33164.00	57975.00	15443.00	1.00	1.00	1.00	61199.00	56187.00	76436.00	1.00	27619.00	51177.00	1.00	1.00	20440.00	1.00	1.00	1.00
C29 H15 N2 O26 Esi-5.1761823	22734.00	1.00	20114.00	1.00	1.00	41057.00	59525.00	1.00	20613.00	43127.00	1.00	1.00	1.00	35244.00	1.00	1.00	1.00	38652.00	1.00	29131.00	1.00	33360.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	113703.00
C28 H9 N9 O21 Esi-8.0164995	44310.00	1.00	1.00	1.00	17153.00	92544.00	37090.00	1.00	1.00	1.00	35592.00	1.00	1.00	51716.00	28700.00	1.00	130683.00	1.00	127227.00	32785.00	1.00	23219.00	1.00	1.00	15645.00	1.00	1.00	1.00	1.00	1.00
C28 H9 N9 O21 Esi-2.9360006	24740.00	1.00	1.00	1.00	1.00	1.00	60335.00	1.00	159121.00	1.00	26087.00	246973.00	148772.00	68152.00	1.00	174150.00	26868.00	1.00	1.00	174999.00	1.00	1.00	1.00	1.00	79354.00	1.00	1.00	355495.00	1.00	1.00
Diguanosine pentaphosphate Esi-10.0940895	1.00	72194.00	57000.00	1.00	44962.00	36538.00	1.00	1.00	1.00	126022.00	1.00	1.00	1.00	1.00	1.00	1.00	38224.00	1.00	1.00	28158.00	93008.00	1.00	1.00	1.00	17826.00	1.00	18512.00	1.00	44558.00	1.00
C28 H9 N9 O21 Esi-2.2943335	52357.00	1.00	1.00	1.00	1.00	31447.00	1.00	1.00	1.00	1.00	16465.00	1.00	59620.00	18332.00	1.00	1.00	1.00	18761.00	1.00	90826.00	1.00	1.00	1.00	58135.00	15110.00	1.00	1.00	1.00	1.00	1.00
Pregna-4,16-diene-3,11,20-trione Esi-2.875	24963.00	27225.00	33414.00	1.00	28186.00	31854.00	14632.00	24016.00	27021.00	21805.00	31043.00	1.00	30228.00	31434.00	26007.00	1.00	22583.00	21665.00	25744.00	19231.00	22458.00	17900.00	1.00	28135.00	39523.00	49663.00	25799.00	37072.00	21595.00	1.00
C28 H9 N9 O21 Esi-10.856001	1.00	29891.00	1.00	1.00	1.00	1.00	1.00	23152.00	1.00	11428.00	42398.00	41035.00	1.00	1.00	1.00	1.00	1.00	1.00	78404.00	35752.00	1.00	1.00	1.00	105476.00	1.00	19393.00	10442.00	1.00	1.00	1.00
C28 H9 N9 O21 Esi-10.398636	1.00	53130.00	1.00	1.00	1.00	1.00	69791.00	92351.00	1.00	20110.00	1.00	1.00	1.00	1.00	27577.00	56324.00	1.00	1.00	1.00	38952.00	1.00	1.00	37299.00	46787.00	32971.00	1.00	1.00	1.00	20271.00	1.00
C12 H26 O4 S	1.00	13723.00	10909.00	1.00	9954.00	1.00	1.00	1.00	12234.00	1.00	1.00	1.00	11021.00	1.00	1.00	16281.00	1.00	1.00	19069.00	10259.00	1.00	1.00	1.00	1.00	1.00	1.00	31681.00	39193.00	1.00	1.00
C30 H24 N4 O30 S2 Esi-8.272	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	61055.00	1.00	28571.00	1.00	1.00	1.00	11786.00	9569.00	1.00	117335.00	1.00
C31 H20 N8 O26 S2 Esi-10.984572	1.00	18324.00	1.00	1.00	1.00	1.00	1.00	34904.00	1.00	1.00	27207.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	96979.00	25101.00	1.00	1.00	22213.00	61675.00	1.00	1.00	1.00	1.00	1.00	1.00
2-Mercaptobenzothiazole Esi-5.1750007	63572.00	25857.00	35510.00	1.00	30115.00	1.00	31819.00	1.00	1.00	24505.00	36508.00	1.00	1.00	1.00	28078.00	33658.00	29442.00	34012.00	47890.00	30266.00	30568.00	1.00	33530.00	28886.00	1.00	85160.00	32084.00	1.00	31745.00	27842.00
C27 H13 N5 O25 Esi-10.1858015	1.00	53111.00	15289.00	1.00	54776.00	1.00	16822.00	108362.00	1.00	20864.00	1.00	1.00	1.00	1.00	37255.00	11624.00	1.00	1.00	1.00	24742.00	16553.00	1.00	35541.00	1.00	1.00	1.00	33613.00	15207.00	20271.00	55810.00
C28 H9 N9 O21 Esi-6.272	1.00	1.00	1.00	1.00	1.00	78313.00	1.00	1.00	1.00	57412.00	1.00	84764.00	57659.00	1.00	1.00	1.00	28664.00	1.00	1.00	39624.00	1.00	1.00	43973.00	1.00	1.00	45487.00	14909.00	1.00	1.00	1.00
Cys Cys Cys	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	42477.00	38315.00	34159.00	36747.00	42865.00	1.00	41668.00	39744.00	38201.00	42421.00	1.00	45711.00	46157.00	44377.00	42102.00	44727.00	1.00	40482.00
Methyl(S)-3-hydroxybutyrate	1.00	1.00	1.00	1.00	1.00	1.00	10648.00	1.00	1.00	1.00	1.00	1.00	1.00	11222.00	1.00	1.00	1.00	1.00	1.00	11847.00	1.00	10276.00	11917.00	1.00	1.00	1.00	1.00	1.00	1.00	12721.00
Artonin K Esi-0.915	1.00	1.00	20632.00	1.00	1.00	1.00	1.00	24630.00	26595.00	1.00	15265.00	28709.00	31552.00	1.00	1.00	29026.00	1.00	29789.00	1.00	51045.00	27820.00	35269.00	1.00	1.00	34183.00	29237.00	1.00	1.00	1.00	24702.00
2-(m-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane Esi-5.940001	1.00	133556.00	322304.00	1.00	1.00	319642.00	31023.00	33800.00	33080.00	147200.00	39725.00	252997.00	1.00	1.00	36284.00	55259.00	39474.00	33240.00	358541.00	340929.00	313162.00	1.00	127887.00	1.00	149129.00	1.00	74915.00	44626.00	1.00	341250.00
C4 H6 O5 S	1.00	1.00	46151.00	1.00	53226.00	34091.00	1.00	47023.00	1.00	39562.00	1.00	1.00	1.00	1.00	1.00	1.00	49444.00	1.00	1.00	49354.00	49478.00	1.00	1.00	48624.00	42490.00	1.00	1.00	33308.00	1.00	45252.00
C8 H19 N2 O8	1.00	1.00	1.00	1.00	1.00	25699.00	1.00	1.00	1.00	1.00	26903.00	1.00	1.00	22087.00	25487.00	1.00	1.00	1.00	1.00	29388.00	1.00	1.00	1.00	23483.00	28943.00	1.00	26391.00	1.00	1.00	41151.00
C27 H18 N6 O12	1.00	1.00	1.00	1.00	14753.00	1.00	19609.00	1.00	1.00	1.00	1.00	25486.00	1.00	1.00	1.00	21182.00	1.00	1.00	1.00	26980.00	1.00	26679.00	14320.00	1.00	1.00	1.00	1.00	1.00	1.00	16801.00
C29 H15 N2 O26 Esi-10.709	1.00	1.00	1.00	1.00	1.00	1.00	32909.00	22621.00	1.00	11178.00	48687.00	1.00	1.00	1.00	25920.00	1.00	1.00	1.00	44964.00	38732.00	1.00	1.00	1.00	38377.00	32265.00	1.00	10442.00	1.00	1.00	1.00
C27 H13 N5 O25 Esi-1.5340002 :1	1.00	1.00	2264300.00	1.00	1.00	1.00	1.00	1.00	108985.00	1.00	1.00	1.00	1.00	1.00	175777.00	1.00	1.00	1.00	1.00	172846.00	139361.00	134165.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	50900.00
C30 H47 N3 O9	19777.00	18104.00	10218.00	1.00	16316.00	20520.00	16626.00	11855.00	1.00	23682.00	13192.00	1.00	19487.00	19767.00	15680.00	12007.00	13028.00	29452.00	22514.00	14701.00	10745.00	12743.00	12819.00	22454.00	13296.00	1.00	20088.00	13266.00	1.00	1.00
C28 H9 N9 O21 Esi-11.1952505	1.00	25466.00	1.00	1.00	1.00	1.00	53560.00	14767.00	1.00	1.00	10463.00	26064.00	19546.00	1.00	52078.00	1.00	10562.00	30589.00	84511.00	45445.00	33984.00	1.00	9579.00	1.00	1.00	20186.00	48466.00	1.00	1.00	53930.00
C31 H20 N8 O26 S2 Esi-11.766251	1.00	1.00	1.00	1.00	13574.00	15779.00	15955.00	19673.00	18238.00	18665.00	1.00	1.00	48337.00	48551.00	163067.00	89217.00	1.00	1.00	1.00	35965.00	82353.00	1.00	1.00	27599.00	1.00	33040.00	1.00	29694.00	1.00	26508.00
C25 H33 N10 O2	1.00	15118.00	12322.00	1.00	1.00	16204.00	11256.00	1.00	1.00	20469.00	1.00	1.00	11154.00	1.00	11299.00	1.00	1.00	1.00	11893.00	14735.00	1.00	9518.00	1.00	11281.00	1.00	1.00	1.00	1.00	1.00	1.00
1-deoxy-1-[methyl[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]-b-D-Glucopyranuronic acid	1.00	1.00	1.00	1.00	1.00	11501.00	12752.00	11983.00	1.00	1.00	13463.00	17347.00	18054.00	18501.00	16555.00	19503.00	18969.00	17621.00	19374.00	19772.00	19056.00	21200.00	18291.00	15166.00	14951.00	19838.00	17335.00	18003.00	19186.00	16507.00
C8 H18 N3 O2	1.00	1.00	17599.00	1.00	1.00	1.00	12488.00	1.00	1.00	12969.00	21871.00	1.00	1.00	19737.00	1.00	1.00	12013.00	1.00	1.00	17837.00	1.00	24449.00	1.00	13056.00	18919.00	1.00	17384.00	1.00	1.00	15554.00
C31 H20 N8 O26 S2 Esi-11.027375	1.00	17910.00	1.00	1.00	1.00	1.00	10485.00	1.00	1.00	1.00	13832.00	1.00	1.00	1.00	1.00	1.00	1.00	22583.00	96979.00	24934.00	1.00	1.00	23370.00	61693.00	1.00	1.00	1.00	1.00	1.00	1.00
C27 H13 N5 O25 Esi-4.5305	1.00	1.00	30319.00	1.00	1.00	45995.00	1.00	143701.00	1.00	1.00	78992.00	1.00	79829.00	49741.00	1.00	1.00	21094.00	1.00	1.00	50913.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C12 H22 O3	1.00	1.00	13718.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	18966.00	1.00	12486.00	15034.00	1.00	1.00	1.00	13205.00	1.00	15700.00	1.00	20360.00	1.00	1.00	16788.00	1.00	13175.00	1.00	1.00	1.00
C28 H9 N9 O21 Esi-12.435714	1.00	1.00	1.00	1.00	415112.00	29459.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	28822.00	1.00	1.00	37761.00	1.00	1.00	1.00	43617.00	1.00	1.00	27156.00	49412.00	1.00	1.00
C29 H15 N2 O26 Esi-10.669	1.00	1.00	1.00	1.00	1.00	1.00	24120.00	32559.00	1.00	1.00	17863.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	47656.00	37280.00	1.00	1.00	1.00	39530.00	31988.00	1.00	1.00	1.00	1.00	1.00
C26 H40 N3 O3	1.00	1.00	1.00	1.00	1.00	13264.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13244.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10972.00	1.00	9300.00
C11 H22 O3	1.00	1.00	10644.00	1.00	1.00	1.00	10328.00	1.00	1.00	1.00	13989.00	1.00	1.00	12827.00	1.00	1.00	1.00	1.00	1.00	12419.00	1.00	18164.00	1.00	1.00	13009.00	1.00	1.00	1.00	1.00	11204.00
5-Fluoromuconolactone Esi-2.1139998	1.00	1.00	253335.00	1.00	278996.00	252789.00	1.00	340979.00	1.00	263773.00	1.00	195134.00	1.00	110750.00	155593.00	1.00	280308.00	102401.00	1.00	250847.00	183952.00	203987.00	130082.00	234073.00	248799.00	129261.00	155448.00	203176.00	1.00	199969.00
C28 H9 N9 O21 Esi-6.264	1.00	1.00	1.00	1.00	1.00	76445.00	1.00	1.00	1.00	51804.00	1.00	83562.00	66155.00	1.00	1.00	1.00	22816.00	1.00	1.00	36432.00	1.00	23712.00	1.00	1.00	93614.00	1.00	17064.00	1.00	1.00	1.00
C14 H N S2	1.00	38114.00	12336.00	1.00	162994.00	1.00	1.00	193240.00	39290.00	1.00	75349.00	15863.00	14561.00	1.00	35819.00	1.00	142809.00	54632.00	66402.00	21349.00	39673.00	1.00	58801.00	88455.00	1.00	1.00	46411.00	1.00	37109.00	18632.00
Endomorphin-1	17255.00	1.00	1.00	1.00	1.00	1.00	10119.00	1.00	13453.00	16182.00	12351.00	1.00	1.00	1.00	1.00	1.00	13158.00	1.00	1.00	13987.00	9845.00	1.00	12406.00	1.00	14638.00	1.00	9814.00	14475.00	1.00	1.00
AUDA	9432.00	1.00	1.00	1.00	1.00	1.00	9987.00	9969.00	1.00	11109.00	1.00	1.00	1.00	1.00	1.00	10079.00	9857.00	1.00	9302.00	10267.00	10670.00	1.00	1.00	13131.00	10718.00	10668.00	10166.00	10979.00	1.00	13088.00
C9 H14 N3 O3 Esi-1.106	15196.00	1.00	1.00	1.00	1.00	14026.00	1.00	1.00	1.00	1.00	1.00	13597.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13038.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C14 H N S2 Esi-1.0699998	1.00	38114.00	12336.00	1.00	162994.00	1.00	1.00	193240.00	39290.00	1.00	75349.00	59464.00	14561.00	1.00	35819.00	12520.00	142809.00	54632.00	66402.00	21349.00	39673.00	1.00	58801.00	88455.00	1.00	48162.00	46411.00	115197.00	37109.00	17564.00
C14 H30 N3 O	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11439.00	13241.00	1.00	1.00	1.00	1.00	1.00	1.00	10248.00	1.00	1.00	1.00	1.00	1.00	11434.00	1.00	1.00	12741.00	1.00
C19 H20 N8 O4	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10132.00	9283.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10284.00	1.00	1.00	10552.00	9794.00	1.00	1.00	1.00	9150.00	1.00	1.00
C18 H32 N3 O	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10527.00	1.00	9997.00	1.00	1.00	1.00	1.00	1.00	1.00	11539.00	1.00	1.00	1.00	1.00	11835.00	1.00	1.00	1.00	1.00	11109.00
C8 S2 Esi-2.1549995	152230.00	174304.00	148424.00	1.00	144162.00	159287.00	60828.00	83810.00	140056.00	81197.00	125756.00	139225.00	148448.00	36089.00	83242.00	130057.00	128863.00	111322.00	159750.00	119235.00	134131.00	137893.00	137356.00	126557.00	126832.00	81270.00	1.00	127297.00	164083.00	175944.00
C6 H O8 S Esi-1.2670001	53096.00	126264.00	1.00	1.00	44445.00	46167.00	53665.00	52396.00	22259.00	1.00	1.00	1.00	46195.00	46507.00	45322.00	9348.00	55500.00	138606.00	1.00	24011.00	51970.00	24175.00	1.00	63771.00	1.00	57566.00	9404.00	124553.00	1.00	103586.00
C7 H3 O8 S Esi-1.0680001	1.00	38114.00	65936.00	1.00	1.00	1.00	1.00	204960.00	37953.00	1.00	55735.00	61045.00	62493.00	1.00	33875.00	1.00	60373.00	33710.00	55207.00	21349.00	37352.00	1.00	65127.00	48416.00	33647.00	1.00	58042.00	105225.00	34477.00	12616.00
C31 H19 N8 O27 S Esi-11.89794	1.00	1.00	1.00	1.00	140153.00	187298.00	1.00	1.00	89847.00	121228.00	28120.00	1.00	256661.00	1.00	312218.00	370556.00	1.00	1.00	1.00	1.00	1.00	198805.00	165832.00	131160.00	267372.00	1.00	52735.00	84436.00	74504.00	139394.00
C30 H24 N4 O30 S2 Esi-6.6625	1.00	197798.00	1.00	1.00	1069566.00	1.00	1.00	1.00	72888.00	55082.00	156297.00	1.00	976935.00	1.00	1.00	73398.00	129726.00	957247.00	1.00	1.00	70947.00	262778.00	73153.00	84207.00	57425.00	1334574.00	328581.00	10550.00	1.00	719850.00
C8 H11 N O5 S	34483.00	47375.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	220695.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	19153.00	1.00	1.00	1.00	123225.00	146738.00	1.00
C28 H9 N9 O21 Esi-3.6520002	1.00	84287.00	1.00	1.00	1.00	1.00	60753.00	1.00	35522.00	28979.00	1.00	1.00	47183.00	1.00	435593.00	1.00	1.00	1.00	1.00	1.00	102970.00	60261.00	166664.00	41261.00	1.00	1.00	118090.00	1.00	1.00	200806.00
C8 H5 O7 S Esi-4.172	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	701391.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C28 H9 N9 O21 Esi-7.872999	76748.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	88972.00	1.00	34288.00	1.00	42575.00	49950.00	28619.00	1.00	141809.00	1.00	276040.00	1.00	34621.00	145723.00	23060.00	1.00	27316.00	1.00	8681.00	1.00	1.00	1.00
C30 H24 N4 O30 S2 Esi-11.482001	20238.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	31146.00	1.00	1.00	1.00	19429.00	40710.00	1.00	1.00	26874.00	1.00	1.00	1.00	56381.00	1.00	1.00	1.00	1.00	1.00	1.00	27338.00	1.00	20741.00
C28 H9 N9 O21 Esi-6.634236	1.00	43050.00	1.00	1.00	1.00	31552.00	1.00	1.00	76857.00	91257.00	43395.00	1.00	43983.00	1.00	1.00	109791.00	60365.00	1.00	11994.00	1.00	31180.00	115265.00	1.00	22665.00	96488.00	1.00	16604.00	15699.00	316025.00	50636.00
C4 H4 N2 O6 S	1.00	1.00	1.00	1.00	1.00	1.00	322037.00	413404.00	1.00	1.00	512146.00	563109.00	553995.00	605681.00	1.00	1.00	607791.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	669178.00	684219.00	1.00	1.00	1.00
C31 H19 N8 O27 S Esi-11.793	1.00	1.00	1.00	1.00	140637.00	1.00	1.00	84967.00	89847.00	114512.00	28120.00	1.00	131492.00	1.00	116568.00	370556.00	1.00	1.00	1.00	1.00	1.00	278083.00	1.00	1.00	116437.00	153617.00	1.00	148230.00	159561.00	1.00
C30 H24 N4 O30 S2 Esi-3.6699998	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	202804.00	83373.00	1.00	169667.00	1.00	146576.00	1.00	1.00	1.00	258569.00	1.00	379202.00	1.00	1.00	223298.00	1.00	1.00	80807.00	1.00	1.00	142902.00
C4 H6 N6 O4 Esi-4.194	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	114389.00	810951.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	284146.00	1.00	1.00	1.00	296471.00	1.00	1.00
C28 H9 N9 O21 Esi-9.331	1.00	1.00	1.00	1.00	1.00	1.00	66329.00	1.00	39862.00	41554.00	1.00	1.00	13807.00	23080.00	19842.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	16126.00	73400.00	1.00	16615.00	13615.00	1.00	1.00	1.00
C29 H15 N2 O26 Esi-11.476999	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	86257.00	1.00	1.00	1.00	26535.00	1.00	1.00	1.00	11552.00	1.00	59569.00	1.00	34362.00	1.00	1.00	1.00	1.00	31212.00	1.00	19156.00	1.00	1.00
C31 H20 N8 O26 S2 Esi-11.206143	19886.00	45570.00	1.00	1.00	1.00	1.00	10743.00	30043.00	1.00	1.00	16286.00	1.00	19180.00	1.00	41538.00	1.00	106149.00	14456.00	96979.00	1.00	1.00	1.00	13781.00	61675.00	1.00	1.00	29041.00	1.00	1.00	52716.00
C14 H6 N2 O16 S2	1.00	65131.00	298021.00	1.00	226930.00	131266.00	40714.00	70847.00	282464.00	52288.00	213888.00	292874.00	21219.00	303886.00	179909.00	288446.00	308652.00	140802.00	306661.00	1.00	285314.00	108662.00	164636.00	224069.00	170306.00	41592.00	188178.00	1.00	46808.00	279201.00
C28 H9 N9 O21 Esi-11.761058	1.00	1.00	1.00	1.00	1.00	10655.00	1.00	19938.00	49055.00	1.00	1.00	1.00	47158.00	13195.00	64903.00	189729.00	1.00	1.00	43104.00	1.00	50347.00	51224.00	53460.00	38541.00	23234.00	30312.00	1.00	32175.00	20014.00	73103.00
C28 H9 N9 O21 Esi-1.9993078	74483.00	434628.00	1.00	1.00	1.00	276182.00	1.00	1.00	1.00	1.00	35993.00	1.00	162132.00	1.00	109752.00	319617.00	1.00	131614.00	150144.00	1.00	94211.00	53673.00	1.00	21780.00	1.00	1.00	1.00	1.00	129882.00	1.00
Citiolone Esi-4.117	1.00	1.00	1.00	1.00	80605.00	22629.00	1.00	1.00	1.00	142561.00	92551.00	1.00	37686.00	105477.00	1.00	53988.00	78760.00	1.00	1.00	1.00	1.00	111584.00	190862.00	108812.00	69481.00	1.00	159621.00	65164.00	1.00	70584.00
C29 H15 N2 O26 Esi-9.411	1.00	1.00	1.00	1.00	1.00	1.00	65212.00	1.00	1.00	1.00	1.00	1.00	13709.00	23181.00	23135.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14284.00	1.00	1.00	1.00	23666.00	1.00	1.00	1.00
C12 H10 O S	1.00	1.00	1.00	1.00	287438.00	510677.00	1.00	1.00	1.00	1.00	1.00	1.00	74669.00	1.00	487231.00	1.00	1.00	182559.00	1.00	1.00	149160.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C28 H9 N9 O21 Esi-7.806778	78650.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	88687.00	29229.00	1.00	1.00	42575.00	1.00	1.00	1.00	141280.00	1.00	265915.00	1.00	1.00	24476.00	22094.00	1.00	16866.00	1.00	1.00	1.00	1.00	1.00
Dimethyl trisulfide Esi-1.5919997	1.00	1.00	44665.00	1.00	1.00	42417.00	1.00	45497.00	46889.00	41518.00	47079.00	1.00	45340.00	48643.00	39022.00	40126.00	1.00	42695.00	1.00	1.00	42515.00	1.00	38928.00	51897.00	40851.00	49183.00	1.00	40218.00	40982.00	1.00
C30 H24 N4 O30 S2 Esi-11.578001	1.00	1.00	1.00	1.00	1.00	1.00	16047.00	19673.00	41431.00	1.00	1.00	1.00	23349.00	44446.00	1.00	1.00	1.00	1.00	1.00	1.00	74431.00	1.00	1.00	26794.00	1.00	32630.00	1.00	26198.00	1.00	1.00
C28 H9 N9 O21 Esi-6.9970007	1.00	1.00	28597.00	1.00	50086.00	1.00	1.00	1.00	1.00	1.00	1.00	16739.00	54424.00	1.00	19555.00	1.00	1.00	1.00	1.00	1.00	27378.00	1.00	1.00	1.00	58601.00	260388.00	1.00	1.00	1.00	1.00
C4 H5 Cl N O Esi-5.819	1.00	1.00	46697.00	1.00	66494.00	1.00	1.00	37939.00	48607.00	80410.00	57774.00	1.00	42056.00	69238.00	1.00	114004.00	75220.00	81072.00	79582.00	1.00	1.00	54567.00	75382.00	69153.00	32608.00	1.00	1.00	1.00	1.00	18092.00
C6 H5 N4 O4	1.00	1.00	1.00	1.00	1.00	11258.00	10546.00	16698.00	1.00	10107.00	14039.00	1.00	10231.00	1.00	1.00	19020.00	1.00	12772.00	1.00	1.00	1.00	1.00	1.00	1.00	10155.00	1.00	17376.00	1.00	1.00	1.00
C4 H6 N6 O4 Esi-5.251	120395.00	1.00	35235.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	66774.00	1.00	1.00	1.00	155242.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	39579.00	1.00	1.00	1.00	1.00
C16 H24 N10 O4 S	1.00	11954.00	12444.00	1.00	14873.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11845.00	12898.00	1.00	1.00	13516.00	1.00	1.00	1.00	1.00	12480.00	12614.00	12985.00	1.00	1.00	1.00	13679.00	1.00	1.00
C6 H12 N3 O2	1.00	1.00	1.00	1.00	1.00	14364.00	1.00	1.00	1.00	1.00	1.00	1.00	12438.00	14504.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14169.00	1.00	1.00	12589.00	13882.00	14288.00	1.00	1.00	14250.00
C28 H9 N9 O21 Esi-6.5520015	1.00	35872.00	1.00	1.00	1.00	47138.00	1.00	1.00	68210.00	1.00	1.00	95190.00	39683.00	1.00	1.00	94078.00	24039.00	1.00	9478.00	1.00	1.00	106864.00	1.00	20910.00	127618.00	1.00	1.00	25867.00	1.00	47114.00
C28 H9 N9 O21 Esi-11.307	1.00	1.00	1.00	1.00	1.00	1.00	25781.00	1.00	1.00	1.00	1.00	1.00	16849.00	1.00	44535.00	1.00	16938.00	25601.00	1.00	1.00	32655.00	1.00	8593.00	1.00	1.00	1.00	41971.00	1.00	1.00	46736.00
C21 H25 N5 O2	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10170.00	1.00	1.00	1.00	1.00	9566.00	1.00	1.00	1.00	11550.00	1.00	1.00	1.00	9516.00	1.00	1.00	1.00	9613.00	10824.00	10338.00	10445.00	1.00	1.00
C16 H24 N10 O4 S Esi-7.121	1.00	11954.00	12444.00	1.00	14873.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11845.00	12898.00	1.00	1.00	13516.00	1.00	1.00	1.00	1.00	12480.00	12614.00	12985.00	1.00	1.00	1.00	13679.00	1.00	1.00
C31 H19 N8 O27 S Esi-5.819	1.00	1.00	5832656.00	1.00	1.00	1.00	2876864.00	6249134.00	1.00	1.00	6299832.00	1.00	1.00	2135170.00	1.00	1.00	1.00	5430807.00	1.00	1.00	5368953.00	5954786.00	1.00	1.00	1.00	1.00	1.00	1.00	4452816.00	460719.00
C30 H24 N4 O30 S2 Esi-1.8529999	2784214.00	1069212.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	242038.00	1.00	1.00	1.00	425808.00	5691125.00	1.00	1.00	1.00	1.00	3902238.00	1.00	1.00	1.00	1.00	1.00	3591181.00	1.00	337633.00	1.00
C30 H24 N4 O30 S2 Esi-7.99909	94004.00	1.00	1.00	1.00	1.00	11598.00	17489.00	1.00	1.00	1.00	17829.00	1.00	1.00	72349.00	1.00	1.00	287899.00	1.00	169838.00	1.00	52028.00	122882.00	24496.00	1.00	19643.00	1.00	1.00	1.00	1.00	1.00
C30 H24 N4 O30 S2 Esi-7.8545003	93846.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	33075.00	1.00	1.00	72753.00	1.00	1.00	287869.00	1.00	71823.00	1.00	51538.00	122882.00	23524.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C31 H20 N8 O26 S2 Esi-11.093	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	65250.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C29 H15 N2 O26 Esi-11.076	1.00	1.00	1.00	1.00	1.00	1.00	26917.00	1.00	1.00	1.00	32840.00	1.00	1.00	1.00	1.00	1.00	1.00	32811.00	1.00	1.00	14924.00	1.00	17711.00	1.00	1.00	1.00	1.00	1.00	1.00	54990.00
C28 H9 N9 O21 Esi-1.8580002	2605453.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	144006.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	231302.00	1.00
C28 H9 N9 O21 Esi-2.165	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	30043.00	1.00	1.00	1.00	1.00	1.00	1.00	73368.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C28 H9 N9 O21 Esi-8.615	1.00	18314.00	1.00	1.00	1.00	1.00	1.00	84769.00	1.00	1.00	21673.00	17220.00	1.00	1.00	1.00	1.00	1.00	28029.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C8 H22 N6 S	1.00	19907.00	31920.00	1.00	1.00	1.00	1.00	1.00	28313.00	39087.00	39945.00	1.00	1.00	1.00	1.00	39736.00	1.00	1.00	1.00	1.00	33346.00	1.00	1.00	1.00	1.00	1.00	41058.00	28647.00	1.00	1.00
C28 H9 N9 O21 Esi-9.774	1.00	1.00	1.00	1.00	1.00	40560.00	1.00	1.00	1.00	1.00	48078.00	1.00	1.00	1.00	19009.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	31978.00	1.00	1.00	1.00	23057.00	1.00	1.00	1.00
C10 H20 N5 O4	36235.00	1.00	33104.00	1.00	32080.00	34202.00	1.00	1.00	1.00	1.00	16171.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	36641.00	1.00	1.00	31318.00	1.00	38280.00
C11 H16 N4 O4	1.00	1.00	1.00	1.00	1.00	11461.00	1.00	1.00	1.00	11544.00	13281.00	1.00	1.00	1.00	1.00	1.00	11329.00	13425.00	1.00	1.00	1.00	1.00	16323.00	12821.00	18103.00	1.00	12772.00	1.00	1.00	13103.00
C29 H15 N2 O26 Esi-6.7849994	1.00	1.00	1.00	1.00	64301.00	1.00	1.00	1.00	1.00	48486.00	26793.00	1.00	1.00	1.00	1.00	53105.00	60408.00	1.00	1.00	1.00	33257.00	72908.00	1.00	77351.00	47655.00	1.00	14518.00	1.00	1.00	45857.00
C14 H26 O3	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13106.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	16442.00	1.00	1.00	13176.00	1.00	1.00	1.00	1.00	1.00
C28 H9 N9 O21 Esi-12.452	1.00	1.00	1.00	1.00	1.00	32666.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	28822.00	1.00	1.00	1.00	1.00	1.00	1.00	43617.00	1.00	1.00	27225.00	51487.00	1.00	1.00
C30 H24 N4 O30 S2 Esi-4.0400004	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	127232.00	327545.00	1.00	114761.00	182744.00	36002.00	1.00	1.00	1.00	32901.00
C28 H9 N9 O21 Esi-3.892	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	134259.00	1.00	1.00	1.00	1.00	1.00	141931.00	1.00	76261.00	1.00	1.00	51748.00	1.00	1.00	52151.00	1.00	107135.00	44517.00	1.00	1.00	1.00
C28 H9 N9 O21 Esi-11.875	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	42726.00	1.00	1.00	1.00	1.00	1.00	105315.00	1.00	1.00	1.00	28744.00	1.00	1.00	1.00	1.00	51971.00	1.00	1.00	1.00	1.00	20255.00	1.00
C6 H8 Cl Esi-5.207	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	154558.00	91645.00	1.00	100146.00	1.00	1.00	98999.00	1.00	1.00	1.00	1.00	1.00	1.00
C30 H24 N4 O30 S2 Esi-12.143125	1.00	1.00	1.00	1.00	1.00	1.00	1.00	23180.00	27898.00	1.00	1.00	1.00	1.00	1.00	1.00	78510.00	1.00	1.00	234702.00	1.00	1.00	1.00	41846.00	47208.00	1.00	1.00	15909.00	1.00	1.00	87911.00
C29 H15 N2 O26 Esi-6.7620006	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	55622.00	1.00	1.00	1.00	1.00	1.00	71353.00	1.00	67388.00	11512.00	1.00	9841.00	1.00	1.00	45105.00
Methyl acetate	1.00	1.00	1.00	1.00	165269.00	1.00	1.00	217778.00	1.00	1.00	1.00	122996.00	1.00	198740.00	307603.00	1.00	217117.00	1.00	1.00	1.00	1.00	251224.00	1.00	557745.00	1.00	1.00	1.00	1.00	1.00	1.00
C31 H20 N8 O26 S2 Esi-5.834	1.00	1.00	1.00	1.00	1.00	1.00	1.00	20128.00	1.00	1.00	1.00	1.00	1.00	77009.00	1.00	1.00	1.00	1.00	1.00	1.00	55660.00	1.00	1.00	10118.00	1.00	1.00	1.00	1.00	1.00	1.00
C31 H20 N8 O26 S2 Esi-11.9452	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	52051.00	1.00	1.00	1.00	1.00	1.00	1.00	129057.00	1.00	1.00	202500.00	1.00	28354.00	1.00	1.00	49749.00	1.00	1.00	1.00	1.00	1.00	1.00
C31 H20 N8 O26 S2 Esi-5.806	1.00	1.00	1.00	1.00	1.00	1.00	85544.00	18551.00	1.00	1.00	1.00	1.00	1.00	75638.00	1.00	1.00	1.00	1.00	1.00	1.00	55660.00	80109.00	1.00	19740.00	1.00	1.00	1.00	1.00	1.00	1.00
C31 H20 N8 O26 S2 Esi-12.057143	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	27898.00	56493.00	1.00	1.00	1.00	1.00	1.00	61585.00	1.00	1.00	201152.00	1.00	1.00	1.00	41846.00	45650.00	1.00	1.00	1.00	1.00	1.00	84961.00
C28 H9 N9 O21 Esi-3.3899999	32101.00	1.00	1.00	1.00	239611.00	1.00	20457.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	140828.00	1.00	1.00	1.00	78261.00	1.00	1.00	1.00	162950.00	48858.00	15529.00	1.00	1.00
C29 H15 N2 O26 Esi-5.435	23098.00	1.00	1.00	1.00	1.00	1.00	60672.00	1.00	26475.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	117768.00
C9 H2 O2 S2 Esi-2.9010003	25882.00	1.00	24773.00	1.00	19475.00	20994.00	1.00	19718.00	19978.00	18796.00	1.00	1.00	1.00	1.00	1.00	1.00	15130.00	1.00	1.00	1.00	83965.00	1.00	1.00	1.00	1.00	78527.00	1.00	1.00	1.00	1.00
C29 H37 N13 O11	11637.00	1.00	1.00	1.00	1.00	1.00	12006.00	1.00	1.00	11009.00	1.00	9744.00	1.00	1.00	1.00	1.00	1.00	11709.00	10414.00	1.00	1.00	1.00	1.00	1.00	1.00	10327.00	11469.00	1.00	1.00	1.00
C30 H24 N4 O30 S2 Esi-12.385999	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	78663.00	1.00	1.00	168326.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	15479.00	1.00	1.00	1.00
C30 H24 N4 O30 S2 Esi-6.767	1.00	75086.00	1.00	1.00	923586.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	59350.00	1.00	1.00	1.00	1.00	1.00	86614.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C5 H O4 S Esi-4.032	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	244705.00	1.00	323832.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	234734.00	1.00	1.00	198703.00	1.00	1.00
C28 H9 N9 O21 Esi-10.471399	1.00	1.00	1.00	1.00	1.00	1.00	63283.00	91370.00	1.00	20994.00	1.00	1.00	1.00	1.00	19014.00	57276.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C10 H26 N6 O2 S	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	28979.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	41536.00	28114.00	1.00	1.00
C7 H5 N6 O	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	270795.00	1.00	1.00	1.00	1.00	390030.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C31 H20 N8 O26 S2 Esi-6.3520007	1.00	27615.00	1.00	1.00	1.00	722825.00	1.00	1.00	1.00	1.00	1.00	894199.00	1.00	1.00	1.00	1.00	24001.00	1.00	1.00	1.00	1.00	1.00	13197.00	1.00	1.00	1.00	381500.00	1.00	454300.00	1.00
C6 H O8 S Esi-1.682	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	16793.00	1.00	1.00	1.00	1.00	13269.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11781.00	1.00
C5 H5 N5	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	107460.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	49104.00
C28 H9 N9 O21 Esi-5.815	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	78661.00
C28 H9 N9 O21 Esi-7.065	1.00	1.00	35353.00	1.00	49170.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	15567.00	1.00	1.00	1.00	1.00	1.00	24654.00	1.00	1.00	1.00	1.00	398823.00	1.00	1.00	1.00	1.00
C28 H9 N9 O21 Esi-7.837	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	263491.00	1.00	1.00	23527.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C32 H20 N6 O29 S	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	67957.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C8 H5 O7 S Esi-4.611	1.00	578680.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	214320.00	1.00	1.00	1.00