Compound	nC18-03jun17-004_1	nC18-03jun17-005_1	nC18-03jun17-006_1	nC18-03jun17-009_1	nC18-03jun17-010_1	nC18-03jun17-012_1	nC18-03jun17-017_1	nC18-03jun17-020_1	nC18-03jun17-022_1	nC18-03jun17-025_1	nC18-03jun17-001_1	nC18-03jun17-002_1	nC18-03jun17-014_1	nC18-03jun17-015_1	nC18-03jun17-018_1	nC18-03jun17-019_1	nC18-03jun17-021_1	nC18-03jun17-024_1	nC18-03jun17-027_1	nC18-03jun17-028_1	nC18-03jun17-003_1	nC18-03jun17-007_1	nC18-03jun17-008_1	nC18-03jun17-011_1	nC18-03jun17-013_1	nC18-03jun17-016_1	nC18-03jun17-023_1	nC18-03jun17-026_1	nC18-03jun17-029_1	nC18-03jun17-030_1
Factors	Groups:Control | Gender:Female	Groups:Control | Gender:Female	Groups:Control | Gender:Male	Groups:Control | Gender:Male	Groups:Control | Gender:Male	Groups:Control | Gender:Female	Groups:Control | Gender:Female	Groups:Control | Gender:Male	Groups:Control | Gender:Female	Groups:Control | Gender:Male	Groups:Weight Losing | Gender:Male	Groups:Weight Losing | Gender:Female	Groups:Weight Losing | Gender:Male	Groups:Weight Losing | Gender:Female	Groups:Weight Losing | Gender:Female	Groups:Weight Losing | Gender:Female	Groups:Weight Losing | Gender:Male	Groups:Weight Losing | Gender:Male	Groups:Weight Losing | Gender:Male	Groups:Weight Losing | Gender:Female	Groups:Weight Stable | Gender:Female	Groups:Weight Stable | Gender:Male	Groups:Weight Stable | Gender:Female	Groups:Weight Stable | Gender:Male	Groups:Weight Stable | Gender:Female	Groups:Weight Stable | Gender:Male	Groups:Weight Stable | Gender:Male	Groups:Weight Stable | Gender:Female	Groups:Weight Stable | Gender:Female	Groups:Weight Stable | Gender:Male
L-Lactic acid	2688700.00	2156584.00	2155605.00	4848111.00	3702883.00	1927442.00	3509371.00	4106140.00	3845282.00	3033908.00	968413.00	1636538.00	2562232.00	2086424.00	1998454.00	1259231.00	1742411.00	2352681.00	4161727.00	2284208.00	741691.00	1773362.00	553350.00	2890620.00	2430977.00	3294003.00	4566963.00	869619.00	1583395.00	4215170.00
C23 H40 N4 O2	777640.00	810665.00	816797.00	2224366.00	692776.00	625001.00	1669741.00	1070906.00	1489013.00	594700.00	156461.00	506353.00	1346376.00	1823551.00	495742.00	185200.00	156788.00	615337.00	953373.00	906685.00	459748.00	852511.00	520395.00	1266510.00	605087.00	1702744.00	1508307.00	2115819.00	538143.00	1541797.00
Tetroquinone	334757.00	684476.00	680390.00	490275.00	1032364.00	822124.00	649325.00	1284004.00	588643.00	497303.00	2142086.00	1060476.00	1101730.00	700547.00	1044752.00	1273483.00	1066605.00	668164.00	719062.00	290635.00	1072392.00	880987.00	207557.00	900348.00	729879.00	771275.00	641318.00	756407.00	351855.00	322556.00
Acetylenedicarboxylate	2752880.00	2352222.00	2441602.00	2660562.00	3074060.00	3193360.00	2681202.00	2468756.00	4173040.00	2666606.00	2599783.00	4173374.00	2982194.00	2373551.00	3099377.00	4052086.00	2902668.00	2342275.00	3003132.00	2865727.00	4134143.00	4457595.00	3105233.00	2715176.00	3065991.00	4538373.00	4173467.00	3927394.00	2983961.00	2367593.00
Chlorhexidine	67621.00	36309.00	11669.00	4382.00	7844.00	230202.00	58050.00	37697.00	7133.00	1.00	1.00	1.00	40903.00	53573.00	75506.00	3904.00	1.00	1.00	1.00	111469.00	1.00	1.00	1.00	1.00	53203.00	181565.00	104415.00	1.00	1.00	1199327.00
Alanine	1014963.00	1239446.00	1314869.00	1140238.00	841302.00	616306.00	981573.00	1065159.00	873191.00	1086082.00	894559.00	793875.00	720771.00	920716.00	775069.00	653812.00	455838.00	838752.00	880571.00	813384.00	822948.00	781279.00	212673.00	963028.00	657393.00	764711.00	915853.00	645245.00	281112.00	1134043.00
MID42031:25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / 25-hydroxy-16,17,23,23,24,24-hexadehyd	481220.00	506944.00	510854.00	1096651.00	400520.00	370931.00	923805.00	669811.00	823633.00	346436.00	72568.00	289129.00	786791.00	967919.00	276849.00	77412.00	70819.00	369871.00	581440.00	586832.00	277980.00	552040.00	296300.00	745565.00	372335.00	921480.00	837133.00	1041041.00	310152.00	861416.00
C6 H8 N3 O5	925334.00	922664.00	921706.00	1163704.00	1134455.00	809679.00	1111537.00	1077503.00	981592.00	1096405.00	809636.00	858888.00	972817.00	899957.00	971907.00	799705.00	882296.00	1029383.00	1223679.00	972867.00	676831.00	864250.00	493318.00	964144.00	915865.00	996957.00	1233477.00	761187.00	850195.00	1163850.00
C6 H2 N3 O2 S	215877.00	407439.00	399653.00	250938.00	603589.00	464877.00	364696.00	718620.00	315180.00	272378.00	1209545.00	633757.00	577877.00	383360.00	572954.00	703044.00	569122.00	355386.00	377263.00	183150.00	672167.00	523672.00	138466.00	508277.00	416841.00	439041.00	354931.00	411711.00	213198.00	176427.00
Inosine 5'-monophosphate (IMP)	408424.00	644384.00	741901.00	762264.00	667810.00	86543.00	815569.00	781656.00	371060.00	1040350.00	539252.00	492762.00	648447.00	595811.00	534920.00	353330.00	384328.00	682170.00	1015338.00	555110.00	339902.00	187013.00	4573.00	813414.00	440601.00	374762.00	712318.00	318068.00	69138.00	894145.00
Acetylenedicarboxylate Esi-0.83799976	2753934.00	2352222.00	2811262.00	2662734.00	3074060.00	3200855.00	2687954.00	2468756.00	4173040.00	2816898.00	2599783.00	3002662.00	2781607.00	2373551.00	3099377.00	4052086.00	3841034.00	3839259.00	3003132.00	2865727.00	4134143.00	4472862.00	3104998.00	2720422.00	2843667.00	4538373.00	4890343.00	3927394.00	2983961.00	2724845.00
His Ala	429083.00	299635.00	685293.00	591691.00	611172.00	238091.00	632875.00	582197.00	301655.00	779517.00	555866.00	180188.00	468631.00	237553.00	593169.00	211398.00	121256.00	695801.00	784589.00	269101.00	99761.00	182145.00	31321.00	854774.00	169045.00	248114.00	1076559.00	173894.00	55648.00	582698.00
Piperaduncin B	48871.00	25268.00	7685.00	2848.00	5881.00	180431.00	42982.00	26752.00	3940.00	1.00	1.00	1.00	28570.00	36619.00	57706.00	3481.00	1.00	1.00	1.00	85349.00	1.00	1.00	1.00	1.00	37368.00	135656.00	80269.00	1.00	1.00	909795.00
F-Honaucin A	606874.00	511588.00	520987.00	901294.00	746388.00	425617.00	648525.00	1019317.00	756912.00	662126.00	277311.00	390650.00	452747.00	435042.00	434000.00	246697.00	261302.00	491704.00	793526.00	450029.00	210507.00	409938.00	61051.00	742448.00	560092.00	639894.00	802030.00	140168.00	241681.00	740287.00
5-Fluoromuconolactone	404503.00	628141.00	671449.00	447535.00	716736.00	525765.00	576227.00	861073.00	524550.00	588420.00	1002278.00	627931.00	715271.00	535531.00	655920.00	630308.00	531903.00	575584.00	618111.00	360016.00	601122.00	643399.00	197100.00	635998.00	595762.00	595770.00	604064.00	506587.00	323291.00	414717.00
D-Glutamine	429366.00	925507.00	829985.00	490988.00	380112.00	201118.00	580425.00	558953.00	461569.00	570802.00	357924.00	539152.00	499334.00	302405.00	283744.00	266894.00	201643.00	448134.00	372086.00	467417.00	591451.00	242880.00	70480.00	528792.00	366925.00	249410.00	513920.00	297820.00	98634.00	681150.00
?-D-Glucose	681900.00	272227.00	433507.00	419968.00	526154.00	534634.00	491458.00	603000.00	637292.00	517072.00	306004.00	355657.00	399364.00	437253.00	387632.00	319140.00	195541.00	317353.00	533007.00	458611.00	405786.00	446124.00	83926.00	391978.00	346851.00	514191.00	670248.00	152355.00	382801.00	669763.00
Glycerophospho-N-Arachidonoyl Ethanolamine	150038.00	175767.00	157012.00	306500.00	81260.00	64662.00	231726.00	425259.00	123932.00	277614.00	93701.00	41311.00	114103.00	235267.00	59507.00	24115.00	27611.00	118940.00	199902.00	200822.00	48234.00	135589.00	77061.00	307704.00	218540.00	246405.00	342830.00	159607.00	91489.00	533511.00
Creatine	526499.00	625324.00	651616.00	609306.00	424832.00	309655.00	512235.00	552617.00	477404.00	589019.00	456023.00	390179.00	358670.00	470506.00	398478.00	341923.00	240470.00	443912.00	476728.00	436248.00	405139.00	394624.00	112456.00	479583.00	344175.00	399780.00	492872.00	347261.00	150408.00	599728.00
C28 H38 N14 O7	238885.00	227399.00	154720.00	412614.00	326336.00	202392.00	586503.00	416127.00	236129.00	389737.00	86675.00	158127.00	225849.00	497218.00	194982.00	37565.00	32842.00	137050.00	171103.00	413724.00	150314.00	275168.00	108981.00	461947.00	193971.00	364275.00	550803.00	390914.00	143747.00	202431.00
2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene	466330.00	563516.00	575014.00	522099.00	450440.00	358385.00	489300.00	505178.00	430469.00	505961.00	490698.00	431886.00	412852.00	487737.00	449593.00	419399.00	352733.00	468064.00	453733.00	452087.00	422526.00	419260.00	218015.00	474832.00	404616.00	403754.00	449725.00	442117.00	229616.00	508541.00
Phytuberin	376968.00	369462.00	412640.00	404762.00	395164.00	420297.00	425997.00	430014.00	421085.00	418486.00	406042.00	364370.00	416815.00	416508.00	433841.00	433385.00	405702.00	413092.00	420931.00	423972.00	368587.00	393979.00	398009.00	414819.00	413665.00	431917.00	428409.00	421607.00	414337.00	408342.00
PE(20:2(11Z,14Z)/0:0)	190290.00	257912.00	448738.00	195858.00	160797.00	55932.00	168691.00	322991.00	162584.00	501051.00	229434.00	180670.00	220976.00	248698.00	150763.00	89527.00	28267.00	158933.00	177749.00	206162.00	116275.00	153540.00	141649.00	223714.00	213480.00	202990.00	206095.00	194408.00	97536.00	364391.00
DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0/0:0)	238605.00	248487.00	262155.00	472028.00	207311.00	191945.00	413637.00	294206.00	385663.00	193987.00	33656.00	156089.00	355832.00	434609.00	156765.00	41951.00	28270.00	201941.00	266686.00	280025.00	148367.00	249664.00	163009.00	333145.00	198433.00	416448.00	398307.00	479610.00	166109.00	395727.00
24-Nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-pentol	156768.00	165246.00	164785.00	397706.00	136036.00	119486.00	323793.00	220184.00	294324.00	112032.00	23063.00	98448.00	273099.00	347748.00	95233.00	26585.00	25912.00	122880.00	193275.00	187273.00	90274.00	176202.00	98801.00	258729.00	118093.00	327942.00	295123.00	370511.00	102411.00	304280.00
1-(2-Hydroxyethyl)-2-hydroxymethyl-5-nitroimidazole	10968.00	211559.00	215758.00	437482.00	9273.00	15769.00	8359.00	278507.00	407988.00	13476.00	8757.00	5974.00	8011.00	11413.00	9538.00	6104.00	10685.00	12271.00	11332.00	6516.00	7933.00	10531.00	5125.00	12965.00	10450.00	12811.00	12004.00	5516.00	6750.00	13018.00
Neoilludin A	182974.00	255566.00	203378.00	216145.00	397672.00	268636.00	356214.00	298023.00	204313.00	358380.00	286883.00	208268.00	185071.00	203000.00	233433.00	234810.00	226005.00	214943.00	184016.00	275858.00	141666.00	279235.00	150046.00	321425.00	233347.00	173991.00	290517.00	206089.00	232206.00	149350.00
Lactic acid	336474.00	115089.00	723451.00	192531.00	192624.00	265077.00	207011.00	287645.00	254285.00	249701.00	114581.00	184278.00	167755.00	253501.00	200080.00	141720.00	103152.00	166096.00	273928.00	189216.00	140978.00	253945.00	93400.00	181690.00	197766.00	258943.00	1147968.00	105933.00	186058.00	1122572.00
(11Z)-8,18-propano-retinal	3075.00	1.00	8258.00	26341.00	1.00	30814.00	122284.00	30513.00	1.00	17430.00	4713.00	65800.00	76030.00	20833.00	35590.00	319430.00	185618.00	76650.00	17563.00	274093.00	105060.00	11584.00	123545.00	117717.00	6633.00	134203.00	1.00	7132.00	37199.00	5119.00
2-amino-4-hydroxy-3-methylpentanoic acid	148139.00	193885.00	282110.00	240119.00	205608.00	104432.00	115062.00	223443.00	164943.00	338340.00	218884.00	206517.00	228600.00	127075.00	135257.00	103567.00	99692.00	157268.00	287732.00	149460.00	156444.00	97346.00	28683.00	308663.00	154106.00	149990.00	175787.00	180686.00	40213.00	371181.00
13C6-phe	316923.00	329331.00	337547.00	348592.00	343311.00	340233.00	352134.00	355761.00	340409.00	340752.00	316975.00	308180.00	312523.00	338946.00	348449.00	338427.00	316312.00	339572.00	333017.00	333494.00	301162.00	343099.00	320236.00	309509.00	354749.00	334788.00	344553.00	333649.00	337708.00	343253.00
Taurine	643393.00	503597.00	566012.00	722313.00	435118.00	595597.00	735307.00	643597.00	501114.00	611720.00	554548.00	406602.00	424836.00	392648.00	290633.00	560053.00	428207.00	426318.00	587539.00	277576.00	512477.00	519861.00	365171.00	506128.00	534553.00	498840.00	608533.00	575823.00	356471.00	598707.00
Adenosine	15876.00	13072.00	16707.00	4195.00	6388.00	117720.00	1.00	1.00	26943.00	12841.00	22277.00	12178.00	10089.00	6688.00	11636.00	12897.00	3466.00	15779.00	4711.00	11014.00	24029.00	125295.00	399172.00	10028.00	9634.00	16827.00	13922.00	7486.00	12556.00	25725.00
N-Desmethyltolmetin	175299.00	336952.00	194319.00	242750.00	200566.00	94355.00	168144.00	173434.00	115403.00	153446.00	212670.00	220558.00	104936.00	295968.00	82696.00	43209.00	50054.00	225530.00	75705.00	77776.00	140971.00	143822.00	45725.00	227568.00	93959.00	251768.00	195406.00	23235.00	36670.00	209454.00
Pregnanalone sulfate (Allopregnanolone sulfate)	133621.00	148176.00	129436.00	297163.00	121069.00	129013.00	71053.00	29664.00	14146.00	5402.00	5934.00	62897.00	248229.00	312262.00	30482.00	10251.00	1.00	4875.00	17463.00	115946.00	69426.00	141660.00	88892.00	224902.00	116190.00	258449.00	10527.00	16489.00	119646.00	288735.00
Adenosine Esi-3.0579994	17637.00	14948.00	16253.00	3397.00	6206.00	120590.00	2591.00	1.00	27822.00	11646.00	20760.00	11365.00	9039.00	5013.00	10735.00	11499.00	2923.00	14241.00	7052.00	11222.00	29733.00	120108.00	339705.00	11096.00	8631.00	14875.00	12399.00	12586.00	10352.00	26760.00
Acetyl phosphate	150875.00	206890.00	184799.00	171144.00	184711.00	185506.00	174896.00	245982.00	218085.00	128265.00	250801.00	205747.00	328990.00	180615.00	175719.00	289625.00	195889.00	190443.00	215900.00	177077.00	155216.00	187073.00	66181.00	180147.00	176745.00	204722.00	200025.00	195633.00	214964.00	175458.00
PE(18:2(9Z,12Z)/0:0)	73111.00	88326.00	249715.00	122139.00	79935.00	28890.00	63252.00	218605.00	103835.00	244132.00	63389.00	94867.00	57073.00	121988.00	26547.00	34643.00	5398.00	62797.00	52911.00	84562.00	75658.00	69394.00	44183.00	90524.00	92027.00	88437.00	67309.00	72789.00	45534.00	177956.00
247.9576@6.024999	1.00	163186.00	55028.00	74022.00	5793.00	301086.00	1.00	181195.00	55642.00	1.00	20207.00	36110.00	1.00	79346.00	126886.00	49815.00	1.00	1.00	17658.00	67122.00	5506.00	62932.00	1.00	18763.00	1.00	112621.00	16772.00	10071.00	105229.00	1.00
Nabam	73338.00	133591.00	134243.00	85352.00	180597.00	149649.00	128149.00	213208.00	106814.00	94098.00	270461.00	174479.00	201938.00	130315.00	181752.00	220100.00	178538.00	121423.00	143762.00	45650.00	179314.00	159446.00	37667.00	165687.00	141936.00	148781.00	128546.00	129211.00	51094.00	61235.00
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol	238831.00	235141.00	225010.00	246532.00	238284.00	246571.00	255471.00	242422.00	249147.00	251402.00	237526.00	227148.00	259838.00	250128.00	251794.00	244146.00	244954.00	246372.00	233256.00	247014.00	213949.00	238908.00	245553.00	245724.00	246390.00	252955.00	255045.00	235482.00	257363.00	250186.00
Metominostrobin	168892.00	242937.00	248144.00	218819.00	156080.00	120403.00	182938.00	190292.00	152232.00	199284.00	168577.00	147391.00	128426.00	172182.00	157092.00	168521.00	118451.00	170677.00	159056.00	166951.00	137940.00	137673.00	38756.00	173045.00	143524.00	134372.00	163343.00	174650.00	51891.00	197577.00
Aclacinomycin S	171510.00	170071.00	132074.00	221809.00	207713.00	173811.00	258750.00	229526.00	172102.00	220102.00	107454.00	137291.00	166989.00	236948.00	168943.00	56831.00	51473.00	135976.00	161038.00	223367.00	136302.00	191994.00	122173.00	243013.00	166005.00	213648.00	245671.00	207868.00	152429.00	155435.00
Alloxydim	37863.00	32082.00	25378.00	53188.00	45736.00	145608.00	104082.00	133475.00	104288.00	100137.00	50182.00	17655.00	117373.00	162340.00	81718.00	96419.00	88051.00	86371.00	132378.00	135825.00	14703.00	26512.00	56501.00	145370.00	144475.00	126162.00	144683.00	89537.00	152778.00	224819.00
2-methylene-4-oxo-pentanedioic acid	219097.00	192633.00	197017.00	274993.00	244789.00	175728.00	236246.00	257644.00	231708.00	223236.00	151630.00	171630.00	205394.00	193663.00	372822.00	266461.00	168644.00	203130.00	261806.00	199038.00	126346.00	189085.00	135597.00	236984.00	535806.00	222578.00	277009.00	141363.00	358135.00	246308.00
C5 H4 O7 S2	233678.00	229588.00	237977.00	241553.00	255947.00	268058.00	254639.00	273038.00	256324.00	252731.00	259424.00	243872.00	264779.00	258703.00	268295.00	273095.00	263592.00	250778.00	268439.00	261349.00	223617.00	263517.00	264117.00	247370.00	263838.00	266548.00	263186.00	269829.00	274098.00	260115.00
Inosine	80606.00	122368.00	50031.00	79612.00	88173.00	230939.00	59727.00	275938.00	268024.00	42811.00	73110.00	57722.00	19643.00	65061.00	107436.00	60913.00	34835.00	44389.00	67666.00	86543.00	67192.00	176201.00	98827.00	53589.00	81250.00	184055.00	115519.00	2146.00	98176.00	133144.00
Neoilludin A Esi-6.208004	92346.00	170489.00	126276.00	121883.00	260677.00	178794.00	216347.00	186060.00	126865.00	220723.00	173264.00	124718.00	108403.00	113789.00	141084.00	139014.00	136795.00	137773.00	111143.00	165485.00	83546.00	171163.00	89694.00	195601.00	138243.00	105269.00	188792.00	125649.00	142875.00	83301.00
Red chlorophyll catabolite	105446.00	100675.00	65370.00	190084.00	148942.00	92541.00	268411.00	189410.00	107416.00	174361.00	40245.00	68090.00	97750.00	224694.00	86926.00	16417.00	13967.00	62039.00	79385.00	188949.00	68337.00	123607.00	49173.00	214018.00	91589.00	165938.00	254331.00	167841.00	67481.00	89429.00
PS(20:1(11Z)/16:0)	153945.00	160156.00	320690.00	164546.00	133884.00	2480.00	116965.00	1.00	127641.00	228091.00	3990.00	79726.00	140045.00	191724.00	45786.00	7377.00	1.00	75330.00	1.00	104386.00	56582.00	1.00	41735.00	15516.00	82233.00	71190.00	229137.00	236067.00	1.00	191584.00
C7 H Cl S5	219743.00	208542.00	229364.00	224414.00	235873.00	243795.00	236524.00	243885.00	237175.00	221817.00	234907.00	227610.00	232754.00	241580.00	246367.00	251010.00	246440.00	235019.00	239497.00	233338.00	212349.00	243968.00	249722.00	223394.00	246591.00	244665.00	225140.00	244697.00	258027.00	224798.00
Phytuberin Esi-13.756003	143839.00	154269.00	154071.00	202045.00	140680.00	136417.00	200357.00	173712.00	201768.00	141550.00	45496.00	121414.00	179343.00	199741.00	119498.00	54627.00	37412.00	143485.00	165386.00	166470.00	112487.00	152148.00	125962.00	170305.00	132717.00	192208.00	186192.00	210249.00	125041.00	189537.00
Dextrin	46661.00	13844.00	10187.00	24932.00	10269.00	33876.00	14964.00	26478.00	26180.00	19068.00	34926.00	8230.00	8183.00	17717.00	12333.00	13980.00	2218.00	7474.00	21822.00	12458.00	12704.00	202601.00	51074.00	14725.00	55226.00	20201.00	22027.00	9574.00	33083.00	7333.00
cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene	51206.00	105577.00	172213.00	27603.00	22316.00	36165.00	34327.00	41790.00	36895.00	33974.00	127150.00	23307.00	21645.00	41739.00	25509.00	19748.00	10899.00	16821.00	47396.00	25605.00	17985.00	35536.00	40536.00	19404.00	26626.00	34900.00	41590.00	12382.00	24405.00	287081.00
Gly Cys Glu	69142.00	108318.00	103345.00	179351.00	136584.00	32976.00	73503.00	205507.00	68998.00	124101.00	50587.00	77060.00	21205.00	49394.00	47166.00	16335.00	7631.00	72351.00	157128.00	87326.00	94940.00	40886.00	11949.00	173243.00	48033.00	50368.00	78438.00	50076.00	10600.00	85149.00
Vamidothion	200100.00	88893.00	95671.00	30668.00	86066.00	64725.00	7805.00	1.00	75135.00	122758.00	130353.00	52108.00	118169.00	19218.00	33759.00	34097.00	9303.00	141650.00	51418.00	23419.00	109423.00	106634.00	69151.00	142231.00	30459.00	27651.00	71190.00	109565.00	7420.00	83006.00
C3 H5 Cl3 O5 S2	181502.00	181740.00	197593.00	192750.00	203563.00	214049.00	204406.00	213006.00	207109.00	190453.00	198554.00	193665.00	207797.00	209749.00	211715.00	215832.00	211733.00	203463.00	209900.00	208743.00	179179.00	215305.00	215360.00	192287.00	208953.00	207845.00	205399.00	211807.00	220068.00	192371.00
C3 H5 Cl3 N O2 S3	184045.00	180594.00	198175.00	193039.00	200471.00	213775.00	204137.00	212241.00	206911.00	191769.00	201389.00	201249.00	204432.00	208507.00	212053.00	208662.00	207242.00	198711.00	209341.00	202894.00	190206.00	212490.00	219073.00	195797.00	207297.00	213987.00	194683.00	211279.00	221054.00	198817.00
Threonate	110452.00	120064.00	65486.00	61136.00	32234.00	69789.00	41433.00	130552.00	128570.00	90637.00	107292.00	79606.00	146506.00	123920.00	49671.00	46898.00	33320.00	118452.00	162802.00	148230.00	39064.00	88181.00	13643.00	121968.00	125248.00	150899.00	167446.00	67652.00	33919.00	266332.00
MID42250:(22S)-1?,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitamin D3 / (22S)-1?,22,25-tri	164294.00	168061.00	178200.00	160650.00	160021.00	175541.00	177261.00	176760.00	183798.00	178497.00	170727.00	165932.00	192123.00	169623.00	189595.00	183505.00	184838.00	178974.00	172463.00	185084.00	161221.00	177318.00	175357.00	180954.00	178212.00	180227.00	181779.00	183389.00	186288.00	183790.00
Aspulvinone H	143730.00	144907.00	147793.00	144425.00	168219.00	154142.00	181172.00	170038.00	136979.00	183106.00	168988.00	121646.00	134917.00	146057.00	150491.00	144048.00	150714.00	131742.00	138999.00	160576.00	121064.00	155040.00	139671.00	173864.00	136093.00	142054.00	170139.00	126985.00	142851.00	121886.00
C6 H2 Cl2 S3	150834.00	150666.00	157899.00	161350.00	169062.00	176087.00	166993.00	170134.00	170854.00	157033.00	170166.00	162237.00	162590.00	168071.00	176569.00	177012.00	177201.00	170878.00	170735.00	171822.00	150441.00	175576.00	178035.00	160972.00	171620.00	171023.00	159238.00	174009.00	180947.00	162126.00
2-Oxo-3-hydroxy-4-phosphobutanoate	261783.00	255933.00	266942.00	284526.00	313103.00	322861.00	291958.00	319530.00	317070.00	295156.00	287183.00	266718.00	295179.00	297970.00	309097.00	318887.00	324048.00	302815.00	304296.00	313372.00	272209.00	312705.00	309277.00	281884.00	319578.00	320379.00	291670.00	309727.00	307639.00	288217.00
C7 H3 N5 O2	167912.00	195076.00	209686.00	204118.00	164051.00	112333.00	181970.00	196369.00	162169.00	190714.00	159451.00	141201.00	140852.00	174774.00	154871.00	129528.00	88174.00	163980.00	169299.00	156329.00	142281.00	138420.00	41518.00	176149.00	126089.00	148733.00	173108.00	127486.00	56858.00	195203.00
C6 H2 N2 S4	180839.00	183137.00	187862.00	191423.00	201714.00	207197.00	198701.00	204842.00	202277.00	190602.00	200707.00	189581.00	200616.00	206196.00	207328.00	211088.00	207143.00	201334.00	201963.00	203760.00	178408.00	198548.00	209817.00	194364.00	205894.00	204691.00	198532.00	204254.00	214565.00	196326.00
2?-(3-Hydroxypropyl)-1?,25-dihydroxy-19-norvitamin D3	196562.00	199242.00	209176.00	206956.00	186142.00	202342.00	205441.00	211006.00	209832.00	201310.00	203295.00	184996.00	211566.00	206797.00	220156.00	207008.00	205253.00	214083.00	215506.00	214716.00	186058.00	200373.00	198683.00	206428.00	205874.00	206879.00	218585.00	211240.00	212183.00	202815.00
C5 H2 O5 S	37354.00	82595.00	79780.00	34350.00	88887.00	66688.00	61658.00	111119.00	51163.00	52449.00	199626.00	90537.00	98347.00	56331.00	88259.00	108101.00	75978.00	64495.00	63355.00	29145.00	104194.00	89991.00	7956.00	82944.00	74944.00	67182.00	61035.00	77149.00	23487.00	23300.00
Orthothymotinic Acid	181169.00	183119.00	189674.00	185382.00	189728.00	191256.00	194844.00	194753.00	191184.00	191421.00	192682.00	185226.00	196069.00	182299.00	189344.00	190780.00	199280.00	188637.00	189731.00	192495.00	178001.00	193507.00	196145.00	185046.00	196320.00	182281.00	190430.00	180567.00	192306.00	197497.00
D-Mannose 1-phosphate	30010.00	12242.00	70855.00	91451.00	138586.00	89217.00	223364.00	115731.00	21059.00	47083.00	28551.00	60418.00	25133.00	61189.00	157951.00	115855.00	135456.00	55227.00	77864.00	23678.00	85504.00	72689.00	160215.00	24598.00	68175.00	113749.00	37513.00	54510.00	70700.00	67629.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate	77190.00	107044.00	89950.00	88602.00	161395.00	105540.00	146419.00	122753.00	78887.00	155573.00	122108.00	73128.00	77472.00	86949.00	87110.00	96963.00	80142.00	87541.00	67777.00	111738.00	57961.00	116712.00	58035.00	128156.00	86577.00	70166.00	131835.00	76457.00	93080.00	54142.00
C7 H Cl O4 S2	169399.00	166716.00	181355.00	182979.00	201726.00	206271.00	194473.00	205582.00	192152.00	193463.00	213079.00	189543.00	200079.00	195170.00	203650.00	212316.00	208617.00	194805.00	197829.00	189115.00	176945.00	204728.00	198806.00	192597.00	202226.00	201227.00	192547.00	196430.00	196697.00	177420.00
2,4,6-Tribromophenol	134393.00	132154.00	140131.00	141805.00	151823.00	164743.00	152902.00	145870.00	155553.00	137948.00	134150.00	146775.00	145188.00	157694.00	161447.00	157844.00	163665.00	151724.00	151791.00	157260.00	128698.00	153870.00	177187.00	133895.00	160510.00	158171.00	140694.00	159776.00	176095.00	141865.00
Stearic acid	109165.00	99659.00	113208.00	132571.00	93092.00	92763.00	130205.00	139946.00	124048.00	101292.00	72923.00	81883.00	105327.00	155395.00	89838.00	73890.00	69354.00	91518.00	101905.00	106160.00	81368.00	104519.00	87052.00	112849.00	113620.00	137021.00	125831.00	169544.00	91280.00	130991.00
4-Hydroxyethinylestradiol	157799.00	174131.00	180095.00	174462.00	169066.00	164603.00	166029.00	162159.00	142018.00	171766.00	177556.00	150130.00	177727.00	176664.00	164384.00	165982.00	229672.00	166722.00	172739.00	178232.00	149065.00	174927.00	166214.00	165933.00	175106.00	172985.00	158313.00	181125.00	102114.00	178077.00
PE(22:4(7Z,10Z,13Z,16Z)/0:0)	55106.00	77038.00	49489.00	64421.00	25667.00	21724.00	101462.00	86414.00	30898.00	87021.00	58309.00	14442.00	71624.00	73806.00	55646.00	7795.00	20406.00	50915.00	103175.00	71000.00	14080.00	48968.00	35200.00	121225.00	72067.00	99922.00	161392.00	60354.00	32331.00	176316.00
Gingerenone A	155500.00	155856.00	129989.00	184168.00	163435.00	167673.00	30283.00	7228.00	1.00	1.00	48632.00	100133.00	175873.00	215367.00	41869.00	47619.00	1.00	1.00	3692.00	113959.00	118306.00	159477.00	148702.00	179342.00	191838.00	197849.00	1.00	1.00	179646.00	235392.00
4-Sulfobenzyl alcohol	53009.00	107641.00	105591.00	65214.00	130228.00	90433.00	91572.00	138919.00	83024.00	89482.00	176173.00	106444.00	124174.00	87490.00	123367.00	121185.00	109060.00	100347.00	93877.00	52441.00	108129.00	112916.00	34512.00	102882.00	102126.00	99403.00	94948.00	98050.00	51558.00	49212.00
Pregna-4,16-diene-3,11,20-trione	115500.00	76483.00	145343.00	129066.00	115809.00	143544.00	86115.00	147866.00	144423.00	159445.00	142772.00	143987.00	152731.00	141032.00	141619.00	126161.00	202261.00	154930.00	136917.00	140231.00	137966.00	123650.00	131630.00	157651.00	156138.00	171684.00	164206.00	137250.00	135969.00	145928.00
C6 H2 N2 O3 S	224049.00	192372.00	242935.00	254697.00	262948.00	224706.00	210759.00	252404.00	276471.00	237688.00	247768.00	241118.00	226109.00	268352.00	290163.00	278488.00	272173.00	256758.00	242097.00	243189.00	234777.00	253377.00	227456.00	201427.00	271141.00	231313.00	262455.00	230889.00	223125.00	188705.00
C3 Cl2 N O7	133985.00	135476.00	141406.00	135833.00	140779.00	142210.00	141743.00	151270.00	146757.00	141752.00	148091.00	137970.00	144929.00	145000.00	148346.00	149477.00	140610.00	138720.00	146941.00	137616.00	135629.00	143967.00	139672.00	141472.00	146630.00	144685.00	144495.00	143425.00	143767.00	143271.00
Trinexapac-ethyl	149551.00	150507.00	148127.00	146370.00	149534.00	155478.00	142792.00	148315.00	142781.00	143714.00	154973.00	140801.00	148788.00	147058.00	152417.00	153828.00	147051.00	142759.00	146421.00	137761.00	138296.00	152480.00	151167.00	150301.00	146976.00	150035.00	147998.00	143920.00	149473.00	149230.00
C22 H44 O6	44434.00	58628.00	58152.00	108862.00	48397.00	624187.00	145086.00	98560.00	96339.00	69160.00	26523.00	30544.00	84088.00	101341.00	45063.00	18716.00	8498.00	66638.00	85806.00	64222.00	36322.00	56988.00	28019.00	78754.00	43802.00	77077.00	111225.00	148407.00	37018.00	92693.00
2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene Esi-0.9850003	466330.00	563516.00	575014.00	522356.00	450440.00	358385.00	489300.00	5605.00	430469.00	4678.00	490698.00	431886.00	412852.00	488003.00	449593.00	419399.00	352733.00	468064.00	453733.00	452087.00	422097.00	419260.00	218015.00	474832.00	404616.00	403473.00	449725.00	442117.00	229616.00	508541.00
1?,25-dihydroxy-11?-phenylvitamin D3 / 1?,25-dihydroxy-11?-phenylcholecalciferol	113639.00	122225.00	129589.00	165484.00	144538.00	126008.00	159555.00	232962.00	205858.00	184410.00	145743.00	107333.00	149782.00	181044.00	154172.00	130550.00	150171.00	129149.00	185418.00	117242.00	102477.00	148584.00	108328.00	176154.00	173009.00	140390.00	270224.00	271158.00	107074.00	174350.00
C4 H4 S3	40894.00	13832.00	19693.00	26358.00	39232.00	57101.00	39259.00	46399.00	54300.00	14916.00	13261.00	39866.00	23015.00	34662.00	21533.00	39887.00	47767.00	21506.00	25532.00	25516.00	17162.00	55023.00	14449.00	26508.00	22580.00	25135.00	50700.00	55266.00	22766.00	26535.00
Sesamose	33460.00	5742.00	4098.00	9687.00	3140.00	19205.00	4308.00	11962.00	16600.00	7229.00	23483.00	3502.00	3688.00	6192.00	3138.00	5449.00	1.00	2177.00	11096.00	4326.00	5859.00	153707.00	30837.00	4928.00	36861.00	9233.00	8137.00	3296.00	16562.00	2792.00
13Z-octadecenoic acid	30245.00	38703.00	26668.00	85572.00	22722.00	14734.00	44798.00	138396.00	41483.00	25588.00	16661.00	15437.00	22547.00	72461.00	11802.00	6745.00	5373.00	14722.00	28306.00	19265.00	9852.00	36487.00	14158.00	74433.00	67272.00	50805.00	31093.00	35080.00	15400.00	64255.00
MID42031:25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / 25-hydroxy-16,17,23,23,24,24-hexadehyd Esi-13.625	46108.00	50228.00	56571.00	96400.00	44081.00	34737.00	117112.00	90187.00	102745.00	60540.00	23330.00	30745.00	73024.00	86828.00	35152.00	12309.00	15538.00	55260.00	81158.00	67071.00	32127.00	57050.00	32058.00	71699.00	42743.00	85546.00	110749.00	135023.00	29990.00	81867.00
Bromobenzene	15437.00	14277.00	36525.00	53839.00	54951.00	50024.00	21975.00	29718.00	19568.00	17123.00	23836.00	16768.00	20928.00	68009.00	20138.00	34739.00	26066.00	19754.00	54689.00	23730.00	40646.00	42263.00	36827.00	28615.00	24179.00	48001.00	48678.00	61680.00	21496.00	58157.00
SB 216763	59463.00	89838.00	111206.00	115163.00	92519.00	12322.00	119870.00	115616.00	52889.00	142007.00	77470.00	70745.00	89701.00	81656.00	74998.00	49150.00	52989.00	97623.00	143980.00	78602.00	47747.00	27423.00	1.00	114271.00	61301.00	51814.00	102599.00	42937.00	9702.00	125339.00
4,4'-Sulfonyldiphenol	42218.00	79176.00	84539.00	56206.00	108690.00	72553.00	73771.00	124067.00	66734.00	69335.00	152579.00	86212.00	101690.00	71756.00	94028.00	94611.00	82113.00	76641.00	77315.00	41663.00	86238.00	86846.00	25737.00	80909.00	82099.00	82085.00	79127.00	70575.00	44715.00	40913.00
3,5-Dinitroguaiacol	93553.00	100254.00	116061.00	135384.00	115171.00	7986.00	8249.00	11466.00	8571.00	5715.00	153461.00	107944.00	7250.00	7427.00	7461.00	8184.00	5402.00	7066.00	7233.00	6056.00	109654.00	136477.00	144887.00	7601.00	8028.00	8504.00	9434.00	6335.00	8278.00	8868.00
Lactic acid Esi-0.8929999	709464.00	340886.00	723439.00	723970.00	665281.00	641356.00	613180.00	755777.00	764605.00	559422.00	409178.00	420053.00	504428.00	439317.00	513200.00	383638.00	231745.00	439427.00	683460.00	531803.00	476163.00	536801.00	87664.00	533170.00	405743.00	624984.00	777152.00	190236.00	440162.00	1136347.00
Palmitic acid	112200.00	120438.00	115186.00	138791.00	112646.00	104062.00	131695.00	140128.00	129199.00	120154.00	101735.00	99985.00	111677.00	135818.00	111114.00	99097.00	95589.00	115680.00	116983.00	122196.00	97119.00	115933.00	104804.00	125395.00	131901.00	134691.00	121014.00	143742.00	104751.00	129624.00
DG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	40555.00	46992.00	45783.00	130629.00	29338.00	26851.00	96045.00	62483.00	86205.00	30844.00	1.00	18560.00	78876.00	127788.00	13974.00	1.00	1.00	31074.00	51253.00	54978.00	19695.00	45018.00	19713.00	73284.00	32585.00	106667.00	95314.00	142377.00	23767.00	101954.00
17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-(hydrogensuccinate)	59903.00	83769.00	69539.00	68935.00	126391.00	82047.00	115048.00	96793.00	62487.00	121899.00	96103.00	57831.00	61316.00	67744.00	68792.00	74807.00	63537.00	68940.00	53317.00	86725.00	45411.00	91218.00	45121.00	100237.00	69189.00	55393.00	103748.00	59816.00	73247.00	42803.00
3-Hydroxypropenoate	40632.00	57101.00	63260.00	48027.00	67184.00	54596.00	54409.00	76464.00	52646.00	52240.00	90986.00	60033.00	68460.00	49022.00	65894.00	67484.00	61462.00	56021.00	53791.00	36888.00	58800.00	59733.00	25703.00	60314.00	59653.00	56951.00	57646.00	50593.00	39537.00	41608.00
L-Glutamate	106888.00	88513.00	127449.00	112910.00	49854.00	61900.00	75296.00	57221.00	144566.00	107750.00	71098.00	68251.00	46993.00	66933.00	27126.00	76972.00	18306.00	42921.00	65753.00	72845.00	132751.00	54023.00	17237.00	99333.00	108020.00	59294.00	59050.00	61715.00	17754.00	60129.00
(R)-Lactate	164745.00	134936.00	133565.00	220116.00	172329.00	146684.00	114955.00	257629.00	225425.00	177374.00	72065.00	103933.00	132871.00	124200.00	116717.00	78801.00	102074.00	122723.00	176577.00	151024.00	64624.00	130719.00	46208.00	167599.00	137953.00	205191.00	230230.00	54016.00	110725.00	206712.00
L-Glyceric acid	82829.00	112298.00	122626.00	91602.00	135074.00	110856.00	109467.00	150563.00	101604.00	113596.00	171733.00	122094.00	135052.00	104385.00	130593.00	125169.00	121423.00	112062.00	119378.00	81671.00	119008.00	127188.00	52114.00	117333.00	119928.00	117052.00	109478.00	113850.00	78061.00	83189.00
4-Sulfobenzyl alcohol Esi-5.1020007	128138.00	33420.00	57419.00	1.00	22193.00	53414.00	4389.00	4224.00	10912.00	60288.00	42843.00	101535.00	1.00	25726.00	20374.00	27117.00	1.00	1.00	43030.00	22484.00	45857.00	91194.00	18763.00	30851.00	85842.00	32283.00	103019.00	16087.00	26440.00	21680.00
C4 H3 Cl3 S2	121675.00	124324.00	129006.00	133776.00	136392.00	139157.00	135357.00	143405.00	139102.00	132586.00	132490.00	130074.00	135115.00	139156.00	141808.00	139614.00	133490.00	130873.00	139372.00	130175.00	118346.00	136464.00	137254.00	130281.00	137806.00	136341.00	131570.00	133365.00	139549.00	130611.00
C37 H75 N3	94166.00	84116.00	96105.00	99538.00	106539.00	119464.00	102359.00	103184.00	108560.00	89658.00	98466.00	105816.00	103530.00	109418.00	115789.00	115057.00	116626.00	106596.00	107695.00	106603.00	94196.00	112889.00	127986.00	91487.00	113710.00	113407.00	100481.00	111850.00	125005.00	95675.00
(S)-ACPA	80175.00	133611.00	133580.00	79355.00	78162.00	35636.00	108566.00	97472.00	88456.00	97210.00	64296.00	104892.00	100109.00	66901.00	57368.00	47605.00	39638.00	73096.00	73598.00	88118.00	109135.00	45271.00	15065.00	88250.00	81548.00	49954.00	96262.00	68385.00	21880.00	105309.00
His Ala Esi-0.972	144367.00	78039.00	205606.00	163834.00	248478.00	124853.00	190634.00	171553.00	101382.00	248963.00	189782.00	82704.00	182433.00	101687.00	272878.00	114652.00	81701.00	246655.00	289541.00	119641.00	41626.00	80652.00	20056.00	248330.00	106239.00	108081.00	308981.00	93484.00	35318.00	153053.00
2-(m-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane	133544.00	133149.00	134548.00	125282.00	139145.00	163815.00	135088.00	144704.00	139687.00	136800.00	151813.00	139498.00	151678.00	138072.00	157526.00	161127.00	145292.00	150681.00	141955.00	143051.00	132735.00	149969.00	153116.00	141244.00	147674.00	143447.00	145618.00	161035.00	155334.00	139821.00
C5 H4 O7 S2 Esi-0.84600025	233202.00	229591.00	237853.00	241550.00	255196.00	268058.00	254697.00	273134.00	259183.00	252711.00	259424.00	243828.00	265640.00	262035.00	268354.00	273095.00	262973.00	258591.00	267004.00	261349.00	223617.00	263086.00	263753.00	249377.00	263697.00	266548.00	263751.00	264282.00	273716.00	260126.00
C3 Cl2 N O5 S3	108510.00	103484.00	108355.00	118072.00	124621.00	124111.00	126431.00	111739.00	119441.00	110182.00	112368.00	115886.00	116508.00	120613.00	128705.00	123771.00	128535.00	117011.00	113508.00	112848.00	106062.00	116926.00	126373.00	112334.00	119688.00	117689.00	115377.00	119752.00	128859.00	111451.00
Metalaxyl-M	37653.00	28444.00	28618.00	40042.00	32459.00	82771.00	94511.00	87794.00	96840.00	91514.00	65179.00	23635.00	71952.00	65967.00	99634.00	100109.00	68512.00	98915.00	106069.00	96621.00	21903.00	26417.00	40531.00	70233.00	92208.00	85810.00	94088.00	93585.00	107054.00	75852.00
His Ala Esi-0.972 :1	144367.00	78039.00	205606.00	163834.00	248478.00	124853.00	190634.00	171553.00	101382.00	248963.00	189782.00	82704.00	182433.00	101687.00	272878.00	114652.00	81701.00	246655.00	289541.00	119641.00	41626.00	80652.00	20056.00	248330.00	106239.00	108081.00	308981.00	93484.00	35318.00	153053.00
Glycerol 2-phosphate	83333.00	96749.00	31981.00	35156.00	8652.00	45189.00	18897.00	106107.00	100015.00	61333.00	78995.00	50262.00	119282.00	82817.00	29125.00	27741.00	20639.00	95882.00	142512.00	125278.00	14232.00	62550.00	6144.00	92423.00	101029.00	119322.00	137790.00	50771.00	21621.00	181293.00
Butanoic acid, 3-bromo-, (S)-; (S)-(+)-3-Bromobutanoic acid; (S)-(+)-3-Bromobutyric acid	153252.00	155397.00	156909.00	186334.00	187785.00	163638.00	181062.00	136432.00	175543.00	166436.00	150129.00	160342.00	154906.00	164539.00	176504.00	165701.00	176834.00	161634.00	141272.00	160144.00	153604.00	158628.00	151209.00	157404.00	158773.00	149808.00	167020.00	153045.00	168175.00	152817.00
LysoPE(24:0/0:0)	114183.00	120044.00	118038.00	118657.00	119076.00	121134.00	124292.00	125418.00	108874.00	124006.00	120502.00	110617.00	127453.00	124170.00	126163.00	130569.00	124106.00	128339.00	126217.00	125634.00	107640.00	123688.00	119883.00	126541.00	124560.00	116081.00	128909.00	123751.00	127700.00	116991.00
Arabinosylhypoxanthine	47594.00	71051.00	25310.00	43360.00	49222.00	139010.00	29096.00	157353.00	147165.00	22595.00	37249.00	31307.00	8596.00	32258.00	59096.00	28547.00	16546.00	21972.00	32651.00	47448.00	36190.00	96360.00	52244.00	28102.00	42306.00	104846.00	68351.00	1.00	53813.00	79048.00
Glutathione, oxidized	100559.00	76244.00	56486.00	101479.00	74789.00	63730.00	75271.00	65877.00	93869.00	66745.00	79822.00	85617.00	58128.00	63529.00	60940.00	75061.00	22394.00	67174.00	38701.00	43081.00	108980.00	74351.00	29207.00	74152.00	100077.00	67734.00	66934.00	30943.00	34270.00	59020.00
Piperonyl sulfoxide	94529.00	118849.00	90271.00	119492.00	104901.00	112223.00	62957.00	40969.00	20015.00	15697.00	50314.00	77885.00	112985.00	134670.00	61533.00	55413.00	4501.00	14386.00	32294.00	91805.00	85329.00	105060.00	96844.00	112589.00	114683.00	124551.00	8412.00	16379.00	110295.00	114280.00
Stearic acid Esi-13.756003	24115.00	27642.00	27304.00	63599.00	20582.00	19617.00	52581.00	33948.00	50383.00	19699.00	3514.00	17185.00	41603.00	58819.00	17605.00	3191.00	5171.00	18319.00	30472.00	29403.00	15045.00	32944.00	17930.00	40023.00	18474.00	56804.00	48649.00	61628.00	16668.00	49476.00
4-Hydroxybenzenesulfonic acid	6028.00	1.00	43792.00	6822.00	6839.00	9245.00	10464.00	1.00	2788.00	3552.00	1.00	3616.00	1.00	7117.00	5031.00	1.00	1.00	1.00	1.00	33161.00	111470.00	4398.00	1.00	13549.00	12000.00	6068.00	2277.00	1.00	6495.00	2366.00
2-Oxo-3-hydroxy-4-phosphobutanoate Esi-0.83699995	261516.00	255957.00	267150.00	284526.00	313103.00	322861.00	291958.00	319530.00	317070.00	295156.00	287183.00	266289.00	295179.00	297970.00	309097.00	318887.00	324048.00	302815.00	304296.00	313372.00	272209.00	312705.00	307865.00	281165.00	319578.00	320379.00	291024.00	309727.00	307798.00	288169.00
C38 H79 N2	78822.00	76753.00	84917.00	88616.00	91489.00	96667.00	89093.00	89287.00	92862.00	79459.00	85088.00	93625.00	89788.00	99689.00	98300.00	96003.00	99218.00	88864.00	93054.00	91676.00	80245.00	94470.00	111784.00	77434.00	94889.00	90949.00	84273.00	91985.00	109458.00	84791.00
4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone	100423.00	100994.00	107175.00	98276.00	105122.00	101505.00	104065.00	103961.00	93210.00	100993.00	101576.00	101745.00	97418.00	101428.00	108674.00	101250.00	96378.00	103182.00	98088.00	105907.00	95121.00	102695.00	101552.00	94450.00	109695.00	100410.00	100373.00	97539.00	100679.00	101974.00
LysoPE(24:0/0:0) Esi-5.608998	95846.00	98004.00	103397.00	103236.00	103428.00	105200.00	105319.00	106053.00	89276.00	105940.00	101398.00	100353.00	109043.00	103610.00	110045.00	111715.00	107799.00	112758.00	110137.00	110927.00	93400.00	106008.00	102742.00	111891.00	106492.00	106130.00	110670.00	106822.00	114005.00	102944.00
Teniposide	100511.00	93892.00	109461.00	72820.00	71630.00	61707.00	95952.00	84231.00	74017.00	97590.00	70270.00	53155.00	92667.00	80368.00	88589.00	92912.00	90424.00	51243.00	70102.00	71164.00	71085.00	63629.00	82343.00	67537.00	52849.00	60303.00	101674.00	66648.00	78758.00	102064.00
Mevinphos	52262.00	23225.00	65142.00	60269.00	77191.00	38789.00	71366.00	64444.00	40231.00	88108.00	67573.00	22655.00	62334.00	32588.00	85840.00	35045.00	24153.00	79071.00	98821.00	37085.00	10624.00	30477.00	6451.00	83118.00	26351.00	38967.00	109503.00	27744.00	10887.00	62720.00
C6 O7	38042.00	52865.00	44723.00	33425.00	54789.00	55283.00	32534.00	88138.00	52191.00	41559.00	110232.00	67029.00	81980.00	55658.00	57009.00	71898.00	57702.00	55492.00	71185.00	55788.00	57435.00	59908.00	11224.00	64753.00	59143.00	66800.00	66648.00	47711.00	16096.00	57224.00
Iprobenfos	45432.00	52053.00	27927.00	51962.00	28006.00	86835.00	26833.00	98286.00	76017.00	38497.00	21256.00	24976.00	17070.00	38306.00	35813.00	21927.00	6702.00	26690.00	29036.00	38983.00	28495.00	59666.00	15257.00	41218.00	40634.00	54752.00	38802.00	8874.00	39209.00	36008.00
C6 Cl2 N2 S4	76297.00	76709.00	80177.00	85388.00	93854.00	94085.00	89961.00	82624.00	87158.00	84240.00	89004.00	87213.00	89332.00	89539.00	97119.00	94519.00	99073.00	89215.00	88629.00	91633.00	81363.00	89084.00	97039.00	83462.00	91245.00	89992.00	85761.00	90138.00	101847.00	79941.00
C3 H4 N2 O5 S	67498.00	89058.00	115701.00	90455.00	71842.00	89190.00	132973.00	111900.00	65384.00	112950.00	134702.00	94681.00	119328.00	103250.00	111045.00	96467.00	90029.00	113650.00	79474.00	71237.00	84005.00	113224.00	97888.00	73547.00	13584.00	115366.00	97387.00	93777.00	87845.00	70853.00
C20 H40 O6	29615.00	35703.00	35628.00	79521.00	26213.00	22487.00	63279.00	46440.00	56140.00	27678.00	6834.00	18329.00	53916.00	78526.00	17700.00	6383.00	5468.00	27022.00	40564.00	41308.00	16968.00	33210.00	19790.00	52525.00	25747.00	71009.00	57739.00	89888.00	22025.00	63186.00
Neoilludin A Esi-6.431	38310.00	54950.00	46537.00	51191.00	95718.00	72247.00	90518.00	73752.00	46291.00	94706.00	65649.00	45668.00	38635.00	47738.00	56052.00	60675.00	50888.00	48914.00	42442.00	67762.00	32921.00	65798.00	34705.00	77556.00	51630.00	41738.00	71306.00	49496.00	56132.00	32596.00
C4 H6 N6 O4	54305.00	32332.00	37068.00	85116.00	65776.00	19428.00	35239.00	103083.00	63034.00	68210.00	10268.00	17564.00	33002.00	21892.00	25127.00	8609.00	16390.00	34801.00	67447.00	33355.00	5441.00	20516.00	1.00	47689.00	37069.00	52508.00	128173.00	3606.00	8440.00	88735.00
N-Nitrosoguvacine	10596.00	55622.00	48172.00	33346.00	18180.00	14584.00	14113.00	33057.00	36052.00	64708.00	27043.00	67926.00	101362.00	9409.00	23451.00	11317.00	24912.00	25039.00	42033.00	19858.00	66804.00	36379.00	5523.00	86312.00	80396.00	30719.00	44243.00	8772.00	18795.00	63787.00
C27 H61 N11 O16	57109.00	52046.00	59035.00	57877.00	65327.00	69418.00	65592.00	62062.00	64126.00	56808.00	58171.00	67572.00	64686.00	67183.00	72708.00	70987.00	72490.00	65469.00	63423.00	66428.00	55899.00	68729.00	89037.00	56202.00	72640.00	67972.00	57995.00	71898.00	83381.00	61389.00
2-Bromophenol	103486.00	104264.00	102991.00	97629.00	104056.00	110772.00	107118.00	114225.00	107445.00	102770.00	114615.00	106953.00	114900.00	117242.00	109659.00	111317.00	106279.00	113602.00	117965.00	105336.00	100769.00	106454.00	107242.00	109204.00	114245.00	117282.00	111484.00	109398.00	112945.00	113133.00
C6 H2 N2 O3 S Esi-0.83200026	224049.00	192372.00	242935.00	254697.00	262948.00	224706.00	210759.00	252404.00	276471.00	237688.00	247768.00	241118.00	226109.00	268352.00	290163.00	278488.00	272173.00	256758.00	242097.00	243189.00	234777.00	253377.00	227456.00	201427.00	271141.00	231313.00	262455.00	230889.00	223125.00	188705.00
Tetroquinone Esi-1.028	96952.00	122748.00	99138.00	125188.00	101223.00	94521.00	117843.00	138363.00	105211.00	107018.00	152091.00	118512.00	119031.00	126949.00	119461.00	117344.00	127036.00	125883.00	112086.00	81096.00	87658.00	121969.00	133641.00	144313.00	94163.00	126534.00	119649.00	116050.00	103100.00	92827.00
C7 H2 N3 O4 S3	49101.00	63539.00	59906.00	48009.00	66885.00	53745.00	56017.00	72342.00	57489.00	56687.00	97369.00	63318.00	70690.00	54109.00	67971.00	60879.00	55690.00	54030.00	64426.00	53810.00	64236.00	60881.00	29394.00	69085.00	60812.00	55644.00	63916.00	47422.00	39151.00	55206.00
Alpha-D-Fucose	81198.00	68086.00	89312.00	65738.00	21942.00	85609.00	94725.00	81882.00	63506.00	94524.00	6280.00	5678.00	36498.00	3836.00	3029.00	23179.00	20777.00	29871.00	52494.00	73948.00	51563.00	10928.00	25001.00	67146.00	91338.00	60453.00	8556.00	15808.00	23019.00	72325.00
C5 H3 Cl3 N2 O3 S	39426.00	43236.00	42929.00	45804.00	49987.00	48313.00	47168.00	45882.00	46938.00	44213.00	51223.00	48965.00	48340.00	46330.00	50159.00	50517.00	53227.00	45584.00	43470.00	46828.00	45410.00	48313.00	47948.00	43021.00	49599.00	45897.00	45148.00	47933.00	50895.00	40383.00
4-Hydroxyethinylestradiol Esi-10.670005	75057.00	104279.00	90381.00	78079.00	82162.00	80578.00	82799.00	77316.00	99159.00	80346.00	110533.00	82645.00	95678.00	82365.00	89309.00	81691.00	98548.00	83131.00	102455.00	83099.00	74618.00	74476.00	71639.00	77992.00	85781.00	83689.00	85071.00	87574.00	77100.00	101229.00
C6 Cl2 O7 S5	69793.00	66799.00	71649.00	72820.00	79885.00	87083.00	77604.00	73099.00	81494.00	74055.00	74216.00	78590.00	76560.00	82286.00	84745.00	85381.00	89589.00	75206.00	77496.00	76071.00	69345.00	82330.00	87259.00	69217.00	82634.00	80246.00	77535.00	84282.00	88709.00	71143.00
Resiniferatoxin	38233.00	36986.00	24387.00	66856.00	51587.00	34140.00	95391.00	67884.00	37450.00	61764.00	14233.00	25473.00	35255.00	79224.00	30993.00	6292.00	5205.00	23154.00	29711.00	65925.00	25043.00	45021.00	19047.00	76037.00	31844.00	57247.00	89396.00	58551.00	24510.00	32408.00
C10 H Cl3 O S2	78214.00	75710.00	81574.00	85912.00	91410.00	97049.00	88559.00	87972.00	90020.00	84221.00	87956.00	91443.00	92523.00	93271.00	98301.00	96507.00	99885.00	89037.00	87792.00	88857.00	79056.00	90253.00	96779.00	82309.00	92966.00	88638.00	90016.00	93310.00	97127.00	78748.00
3-Hydroxypropenoate Esi-1.104	83804.00	20409.00	53276.00	92799.00	47678.00	28850.00	75028.00	93742.00	65850.00	109982.00	28958.00	38454.00	56413.00	93984.00	32082.00	48408.00	31088.00	54637.00	114588.00	62403.00	27656.00	36522.00	14113.00	71061.00	99522.00	45736.00	89991.00	40465.00	20017.00	61573.00
C6 H Cl3 N O4 S5	75766.00	71159.00	78039.00	80361.00	84122.00	90043.00	83354.00	80744.00	84836.00	76308.00	83486.00	79389.00	85284.00	84533.00	89271.00	91539.00	90604.00	83404.00	87277.00	85807.00	74462.00	89004.00	93009.00	74887.00	83433.00	90239.00	80755.00	89180.00	92516.00	79639.00
17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-(hydrogensuccinate) Esi-10.131998	63957.00	58286.00	57165.00	59303.00	54662.00	41390.00	76901.00	60855.00	45047.00	76175.00	53711.00	38690.00	46463.00	77884.00	58702.00	46158.00	61437.00	35618.00	51019.00	52563.00	38021.00	50899.00	43323.00	64109.00	61101.00	44667.00	57417.00	45731.00	45911.00	58763.00
4alpha-formyl-5alpha-cholesta-8-en-3beta-ol	52709.00	83185.00	64684.00	107744.00	51900.00	53803.00	104104.00	113182.00	104914.00	92455.00	60809.00	46879.00	74360.00	96421.00	65615.00	70890.00	52327.00	66562.00	84280.00	63705.00	61370.00	72119.00	57960.00	85888.00	85199.00	93317.00	81766.00	108370.00	55934.00	82285.00
4-Hydroxyethinylestradiol Esi-10.447999	157671.00	208658.00	176589.00	176361.00	169130.00	163910.00	166341.00	162057.00	142018.00	171645.00	177556.00	164227.00	178089.00	170929.00	158854.00	166140.00	229608.00	166737.00	166580.00	178269.00	149068.00	174927.00	166214.00	162981.00	181671.00	173032.00	157767.00	180021.00	57903.00	178294.00
Dihydroxyacetone phosphate	12018.00	9219.00	17124.00	29383.00	27885.00	13630.00	29331.00	16659.00	15674.00	55129.00	23722.00	27551.00	16189.00	17073.00	34450.00	16370.00	13935.00	17001.00	50115.00	54480.00	29833.00	15456.00	16431.00	25591.00	16744.00	29531.00	15807.00	50822.00	53920.00	51886.00
Thyrotropin releasing hormone	72085.00	72905.00	75598.00	68895.00	73267.00	77175.00	73830.00	72662.00	73871.00	74509.00	73372.00	68560.00	76640.00	74587.00	80130.00	74618.00	74379.00	75433.00	75229.00	76940.00	67054.00	71837.00	74146.00	76673.00	75668.00	80762.00	76192.00	75171.00	74393.00	75741.00
C8 H4 O9 S2	150516.00	143444.00	152735.00	154707.00	167917.00	177411.00	165289.00	171814.00	164216.00	164473.00	169275.00	158666.00	171052.00	170155.00	173246.00	177124.00	178824.00	165655.00	170410.00	165985.00	145105.00	173631.00	178980.00	162993.00	171428.00	173413.00	164821.00	171216.00	174600.00	159127.00
2-methylene-4-oxo-pentanedioic acid Esi-1.5270003	123440.00	99901.00	107189.00	137750.00	142415.00	79685.00	96054.00	169159.00	124871.00	129293.00	59303.00	71071.00	106292.00	84862.00	88967.00	62233.00	76554.00	102258.00	139446.00	96884.00	44340.00	85087.00	24846.00	128295.00	111964.00	132569.00	178931.00	43034.00	198385.00	501526.00
Pantothenic Acid	15697.00	19431.00	18431.00	84243.00	12190.00	3473.00	12039.00	41541.00	12088.00	70466.00	60736.00	17585.00	23073.00	24178.00	10180.00	3426.00	3852.00	11919.00	16323.00	9511.00	12231.00	9648.00	1.00	12603.00	10478.00	11699.00	40480.00	32835.00	2391.00	21765.00
Benzal chloride	42834.00	53794.00	52736.00	39924.00	49405.00	48337.00	50903.00	55287.00	53079.00	52951.00	59789.00	45416.00	57600.00	47300.00	50118.00	49668.00	37940.00	57194.00	61772.00	49406.00	44268.00	49891.00	41705.00	36759.00	56803.00	43864.00	57625.00	57369.00	38812.00	51238.00
Athamantin	46857.00	35744.00	46887.00	17040.00	84792.00	60164.00	74701.00	60797.00	34358.00	81142.00	56797.00	13787.00	67150.00	24037.00	38554.00	104178.00	43202.00	13645.00	11365.00	54377.00	19796.00	74235.00	46146.00	63021.00	18246.00	13743.00	109121.00	27830.00	55558.00	5919.00
C5 H2 Cl2 N O3 S5	69578.00	66188.00	74538.00	80195.00	84681.00	83001.00	83235.00	73755.00	79381.00	76011.00	77586.00	78176.00	76975.00	81158.00	84950.00	85640.00	88974.00	82189.00	73600.00	79521.00	71249.00	80266.00	83692.00	69618.00	78587.00	78539.00	75926.00	76745.00	88610.00	75580.00
C8 N2 O6 S3	72326.00	71939.00	75878.00	75396.00	82720.00	86249.00	79570.00	80670.00	80001.00	74808.00	81428.00	78643.00	82919.00	80818.00	84510.00	87495.00	89475.00	86654.00	86694.00	80803.00	72910.00	82273.00	92863.00	77247.00	85800.00	83018.00	82947.00	86436.00	88671.00	78904.00
Protoveratrine A	49097.00	42159.00	49321.00	49439.00	54680.00	57893.00	54893.00	52888.00	52221.00	43053.00	49305.00	52579.00	50235.00	55964.00	56626.00	53563.00	56030.00	54515.00	54152.00	55112.00	47148.00	56700.00	72386.00	45338.00	56561.00	57180.00	49407.00	57074.00	69349.00	47948.00
2-Deoxyribofuranose 1-phosphate	5857.00	2273.00	7496.00	7107.00	8633.00	14018.00	12732.00	6692.00	5364.00	6190.00	3413.00	7880.00	3206.00	7680.00	17325.00	10222.00	7695.00	5154.00	8617.00	11695.00	8370.00	9520.00	9258.00	1.00	9605.00	9730.00	7627.00	5770.00	8107.00	80359.00
C8 Cl2 O2 S5	61796.00	60002.00	63101.00	62838.00	71002.00	77704.00	69282.00	67964.00	69732.00	59649.00	66048.00	67073.00	69071.00	73043.00	75944.00	77970.00	76549.00	67106.00	70705.00	72329.00	60665.00	73229.00	77879.00	60939.00	72937.00	71327.00	66518.00	73627.00	80666.00	63594.00
C6 H3 Cl3 O S5	66907.00	62752.00	69197.00	72474.00	75238.00	82902.00	75196.00	68894.00	71176.00	67712.00	70785.00	73499.00	73623.00	76997.00	80429.00	78807.00	80760.00	73795.00	73383.00	71661.00	67865.00	75871.00	84744.00	68677.00	76567.00	75370.00	73656.00	75411.00	83382.00	67923.00
THTC	23084.00	36386.00	38783.00	24982.00	44186.00	35648.00	33397.00	53478.00	31041.00	33252.00	66312.00	38285.00	44237.00	28343.00	40071.00	40358.00	36059.00	34413.00	37696.00	22002.00	40025.00	38989.00	14914.00	39574.00	36199.00	33508.00	35824.00	31781.00	23944.00	23127.00
Quinine Ethyl Carbonate	10966.00	35465.00	65035.00	27399.00	44170.00	4468.00	18928.00	15528.00	6766.00	8108.00	37354.00	22759.00	12190.00	17409.00	3319.00	1.00	1.00	9559.00	16195.00	9949.00	19352.00	44042.00	9224.00	23673.00	11250.00	14794.00	13829.00	17946.00	6889.00	26080.00
C8 H2 O5 S2	78634.00	77306.00	80664.00	78349.00	82279.00	88724.00	84892.00	86891.00	84355.00	81372.00	88886.00	84819.00	85781.00	86957.00	85964.00	84907.00	88105.00	86775.00	82877.00	82542.00	81963.00	86228.00	88561.00	83206.00	91787.00	84535.00	80422.00	85753.00	89767.00	83679.00
C53 H57 N4 O3	49998.00	49897.00	49622.00	52696.00	58549.00	65010.00	57745.00	54411.00	55576.00	48713.00	51550.00	59966.00	59327.00	61163.00	63189.00	63828.00	64241.00	59508.00	57659.00	57990.00	51217.00	62898.00	77708.00	49964.00	62867.00	60344.00	52280.00	63651.00	71922.00	52130.00
C3 H5 N O3 S	3323.00	3475.00	3075.00	4429.00	2328.00	4780.00	2483.00	3526.00	4580.00	4938.00	5280.00	4810.00	5438.00	5676.00	3438.00	5949.00	82297.00	3680.00	2494.00	3751.00	3029.00	2781.00	5774.00	2572.00	6606.00	2684.00	2789.00	6245.00	4563.00	1.00
C5 H7 Cl3 O S5	61725.00	62193.00	60659.00	64705.00	69107.00	70800.00	68197.00	68952.00	64179.00	61578.00	66956.00	66129.00	67260.00	70352.00	67979.00	70030.00	69930.00	64136.00	70183.00	65909.00	59634.00	69828.00	73104.00	64134.00	70903.00	75313.00	67816.00	66379.00	71175.00	64208.00
Lignoceroyl-EA	17093.00	17954.00	19865.00	39410.00	23803.00	11465.00	49763.00	61020.00	20783.00	25531.00	28072.00	14196.00	18615.00	47055.00	10919.00	1.00	1.00	13779.00	38641.00	21089.00	9945.00	30469.00	12514.00	42252.00	35571.00	41050.00	31084.00	43054.00	27616.00	62275.00
17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-(hydrogensuccinate) Esi-10.549003	47249.00	84149.00	61331.00	52723.00	105676.00	65701.00	89554.00	68830.00	48521.00	80276.00	81828.00	50192.00	52408.00	55058.00	54463.00	56789.00	49618.00	50671.00	38236.00	60644.00	35087.00	69373.00	34727.00	81033.00	55683.00	35302.00	82677.00	43421.00	50942.00	28808.00
C8 N2 O8 S3	20909.00	30986.00	33280.00	19657.00	34782.00	29291.00	27517.00	51316.00	27332.00	27392.00	70571.00	35070.00	41332.00	27957.00	37432.00	40596.00	30025.00	31365.00	35776.00	21179.00	37205.00	35701.00	7961.00	38725.00	31997.00	34371.00	34869.00	33030.00	13581.00	18942.00
C5 H5 Cl O3 S5	50738.00	53308.00	54163.00	54465.00	60613.00	66541.00	60717.00	59536.00	62316.00	55862.00	61780.00	58088.00	67359.00	63274.00	67077.00	67239.00	65683.00	63915.00	64844.00	64904.00	55951.00	65661.00	68828.00	58335.00	63265.00	65986.00	61325.00	64200.00	69506.00	58735.00
PG(15:0/22:0)	30085.00	31662.00	35924.00	73084.00	26630.00	24421.00	59523.00	36205.00	52973.00	25676.00	3567.00	18203.00	49662.00	64442.00	19753.00	4419.00	3114.00	25774.00	32413.00	37382.00	17948.00	30758.00	19560.00	45462.00	24186.00	60506.00	57232.00	74811.00	20444.00	55619.00
Phytuberin Esi-13.139005	28984.00	34031.00	37150.00	68800.00	24031.00	21757.00	59303.00	47528.00	51982.00	25582.00	10113.00	18759.00	54580.00	65643.00	17406.00	14343.00	12860.00	24253.00	37267.00	40868.00	20351.00	33770.00	18719.00	49639.00	26517.00	60169.00	49668.00	69433.00	20393.00	56509.00
C31 H45 N8 O12	42146.00	44785.00	33836.00	59739.00	54050.00	41487.00	73792.00	60979.00	47537.00	61515.00	23947.00	33467.00	45140.00	66907.00	40340.00	12384.00	11989.00	33620.00	39366.00	62712.00	32227.00	49632.00	28722.00	65729.00	41078.00	56362.00	71681.00	61196.00	36110.00	42556.00
PA(22:2(13Z,16Z)/0:0)	56832.00	59384.00	59133.00	58654.00	58693.00	61043.00	62732.00	59592.00	59777.00	59890.00	58586.00	59570.00	61652.00	58245.00	60603.00	60409.00	60878.00	65075.00	60960.00	61332.00	54695.00	59961.00	59793.00	61249.00	62348.00	59512.00	62869.00	61208.00	63397.00	60207.00
3-(Hydrohydroxyphosphoryl)pyruvate	15814.00	25940.00	26683.00	15217.00	38070.00	30263.00	23710.00	42269.00	20044.00	16755.00	76056.00	36946.00	33087.00	23173.00	33463.00	44728.00	35044.00	22984.00	23962.00	9269.00	43028.00	31103.00	9291.00	30912.00	26369.00	23921.00	20830.00	22892.00	14203.00	8885.00
Lauryl hydrogen sulfate	55134.00	54727.00	61814.00	53587.00	47684.00	43897.00	53529.00	48716.00	53799.00	62366.00	43347.00	46117.00	57192.00	58258.00	52047.00	49888.00	55599.00	52452.00	58480.00	67288.00	49113.00	44530.00	50658.00	48173.00	52937.00	54031.00	65513.00	56803.00	52491.00	59961.00
Otonecine	28705.00	30937.00	57687.00	33064.00	24995.00	16201.00	20278.00	34532.00	25968.00	31769.00	20654.00	25254.00	26896.00	28086.00	26737.00	24560.00	24124.00	27663.00	52202.00	35136.00	17071.00	20797.00	6119.00	44533.00	22470.00	39896.00	30031.00	18662.00	9786.00	69967.00
C10 H5 Cl3 O3 S3	55782.00	53198.00	57623.00	57454.00	62706.00	64623.00	60378.00	61248.00	63779.00	61006.00	60731.00	60925.00	66158.00	64143.00	66697.00	66617.00	67077.00	65452.00	61029.00	61796.00	54821.00	65018.00	67498.00	54079.00	63752.00	65511.00	62031.00	65721.00	67604.00	59219.00
C43 H73 N O	44317.00	41181.00	44933.00	46474.00	48746.00	50492.00	45410.00	43175.00	49374.00	40269.00	43695.00	48782.00	46618.00	49605.00	50745.00	54221.00	57642.00	48346.00	44900.00	47611.00	41553.00	47862.00	61451.00	39751.00	52323.00	48931.00	42849.00	51332.00	59464.00	42112.00
5,6-Indolequinone-2-carboxylic acid	57488.00	68213.00	71045.00	66173.00	52830.00	36362.00	56302.00	60203.00	51981.00	60563.00	52072.00	46198.00	42476.00	55142.00	51154.00	40107.00	25930.00	49892.00	51740.00	48872.00	46505.00	48303.00	13533.00	52417.00	42585.00	45015.00	51670.00	37288.00	18934.00	61639.00
Dimethylaminoethyl reserpilinate	19712.00	39969.00	30006.00	30190.00	26119.00	21340.00	41456.00	53370.00	24202.00	13692.00	5399.00	11493.00	34365.00	31590.00	33834.00	18736.00	40986.00	28903.00	35553.00	28168.00	9548.00	24866.00	28893.00	34243.00	14334.00	34285.00	70281.00	32888.00	18669.00	27114.00
C32 H67 N11 O	46168.00	44450.00	48449.00	49489.00	52721.00	54964.00	51031.00	49057.00	49817.00	49821.00	47377.00	51863.00	50096.00	52791.00	55112.00	54934.00	51222.00	51377.00	50335.00	51323.00	45345.00	52229.00	57865.00	46362.00	54745.00	54537.00	46465.00	54065.00	54837.00	51765.00
2-Methoxyestrone 3-glucuronide	35461.00	35743.00	50564.00	18354.00	39513.00	50149.00	58768.00	50507.00	26047.00	68740.00	64832.00	18167.00	96171.00	29224.00	27774.00	73630.00	69981.00	20505.00	15939.00	62004.00	28811.00	96986.00	36822.00	48588.00	19532.00	17048.00	140216.00	44123.00	30100.00	4778.00
11?-(fluoromethyl)-1?,25-dihydroxyvitamin D3 / 11?-(fluoromethyl)-1?,25-dihydroxycholecalciferol	14070.00	15485.00	19996.00	30207.00	17056.00	9211.00	40217.00	29196.00	33382.00	18612.00	4754.00	8711.00	23323.00	29279.00	9528.00	2448.00	1.00	18745.00	23478.00	21454.00	8444.00	16016.00	11540.00	22557.00	17212.00	26080.00	40219.00	56938.00	8914.00	26660.00
Aspidinol	63615.00	60641.00	65366.00	63125.00	62607.00	66736.00	68480.00	68004.00	68205.00	68354.00	59773.00	58939.00	62826.00	64948.00	66216.00	67189.00	65155.00	66078.00	66562.00	67506.00	57130.00	62480.00	60335.00	64239.00	65703.00	64616.00	66985.00	64770.00	67806.00	71451.00
PI(22:2(13Z,16Z)/0:0)	27518.00	25568.00	40794.00	40369.00	24323.00	7927.00	31429.00	2192.00	37876.00	33081.00	3784.00	12751.00	35024.00	49017.00	18414.00	4698.00	4317.00	20913.00	2182.00	27448.00	12810.00	4555.00	15480.00	11136.00	19944.00	35010.00	50673.00	69812.00	2726.00	44832.00
Phytuberin Esi-13.448	31799.00	34999.00	38645.00	53646.00	29412.00	26447.00	39678.00	52760.00	41266.00	39295.00	21654.00	30340.00	30931.00	47939.00	26940.00	25989.00	22014.00	32474.00	34224.00	32755.00	23637.00	31535.00	26863.00	39708.00	37482.00	38816.00	42665.00	48501.00	27066.00	42505.00
Coronene	15851.00	33244.00	26959.00	33174.00	60586.00	35112.00	17132.00	33671.00	36658.00	24425.00	13313.00	32323.00	25692.00	27398.00	42753.00	29927.00	15598.00	32962.00	17035.00	15495.00	60430.00	20230.00	5859.00	47833.00	36484.00	29772.00	36956.00	17329.00	9928.00	15251.00
Phytuberin Esi-10.091002	64786.00	46709.00	65902.00	53065.00	48900.00	52709.00	61290.00	62814.00	44921.00	66761.00	56721.00	39515.00	55833.00	49529.00	54562.00	50716.00	50094.00	66711.00	55661.00	48722.00	43746.00	59906.00	44487.00	63860.00	55605.00	54422.00	68345.00	64399.00	48180.00	49347.00
C46 H75 N6 O12	42006.00	44583.00	89620.00	46180.00	37209.00	1.00	33535.00	1.00	35898.00	63657.00	1.00	22770.00	40857.00	52265.00	11488.00	1.00	1.00	20560.00	1.00	28940.00	15619.00	1.00	8598.00	1.00	23098.00	20034.00	66943.00	64743.00	1.00	54047.00
Nabam Esi-1.0309997	28251.00	37634.00	38967.00	46738.00	37832.00	29332.00	45681.00	39318.00	35600.00	35803.00	35095.00	38929.00	37590.00	38980.00	39278.00	27118.00	46688.00	44506.00	49709.00	35576.00	29211.00	29551.00	69497.00	29868.00	38638.00	30428.00	40345.00	38370.00	49397.00	25134.00
Phenethylamine glucuronide	23642.00	28684.00	59752.00	21047.00	21339.00	13495.00	17446.00	22413.00	14205.00	28509.00	32371.00	30536.00	26824.00	28674.00	30476.00	32100.00	28975.00	28674.00	39208.00	36445.00	27720.00	23238.00	11166.00	38073.00	18234.00	30987.00	23552.00	29845.00	11105.00	53218.00
4alpha-formyl-5alpha-cholesta-8-en-3beta-ol Esi-13.139005	44736.00	68325.00	37560.00	72141.00	30980.00	37693.00	50238.00	45382.00	44604.00	24892.00	5431.00	26869.00	65606.00	52486.00	27651.00	6490.00	4353.00	31479.00	42086.00	36754.00	30504.00	34391.00	41803.00	57783.00	30390.00	66166.00	46616.00	49317.00	36467.00	44963.00
Pro Pro Lys	45227.00	48902.00	68116.00	35310.00	45643.00	43184.00	41328.00	46094.00	46220.00	48857.00	40457.00	41682.00	35821.00	41878.00	31438.00	45926.00	62455.00	45687.00	28337.00	33161.00	39917.00	58157.00	46009.00	35882.00	30075.00	53258.00	49392.00	49864.00	45838.00	47834.00
(R)-(+)-2-Pyrrolidone-5-carboxylic acid	23072.00	27635.00	25725.00	37046.00	17945.00	18363.00	35334.00	26019.00	63153.00	26429.00	13583.00	22084.00	23993.00	16968.00	12419.00	15600.00	11653.00	18886.00	17716.00	20159.00	19876.00	12358.00	5244.00	22211.00	25494.00	25410.00	20242.00	13417.00	9035.00	50618.00
C38 H77 O2	47310.00	45007.00	50597.00	51958.00	57536.00	59132.00	51302.00	51876.00	53974.00	46977.00	50850.00	53914.00	52761.00	53934.00	55319.00	54285.00	59167.00	50832.00	53493.00	54120.00	48665.00	55467.00	65071.00	48335.00	58257.00	56385.00	53157.00	55420.00	63889.00	47822.00
N-(4-Hydroxyphenyl)propanamide	34890.00	37241.00	42785.00	37750.00	27470.00	51984.00	28303.00	59564.00	48091.00	44255.00	30487.00	18714.00	26413.00	36306.00	32877.00	19674.00	11820.00	38761.00	31655.00	23169.00	24640.00	31128.00	18404.00	42989.00	33902.00	39529.00	36103.00	16154.00	22723.00	44264.00
C9 H3 Cl3 O3 S5	49915.00	48143.00	50937.00	51978.00	54826.00	60697.00	53678.00	57964.00	54343.00	49668.00	56919.00	55883.00	58113.00	57436.00	59096.00	58958.00	60607.00	57798.00	55385.00	55369.00	49707.00	57672.00	60435.00	52375.00	57489.00	59041.00	54768.00	58770.00	62235.00	54064.00
[6]-Shogaol	58689.00	58372.00	63471.00	57837.00	61450.00	63934.00	60114.00	62099.00	58009.00	61662.00	63554.00	55789.00	58541.00	61265.00	63749.00	62366.00	59526.00	60669.00	52709.00	57930.00	53793.00	58842.00	57345.00	59542.00	58573.00	55707.00	60175.00	57719.00	55806.00	56807.00
4-Sulfobenzaldehyde	4500.00	45283.00	16851.00	10840.00	3856.00	3028.00	2305.00	17447.00	8077.00	1.00	1.00	1.00	1.00	41318.00	1.00	1.00	1.00	12315.00	1.00	1.00	1.00	6206.00	21030.00	12425.00	9511.00	59744.00	5423.00	1.00	1.00	1.00
C4 H5 Cl3 N O4 S4	52613.00	50157.00	51836.00	55631.00	60544.00	61197.00	57487.00	54791.00	58354.00	54676.00	56539.00	55485.00	57095.00	60775.00	62018.00	62100.00	60743.00	58461.00	59022.00	54392.00	49812.00	60388.00	64239.00	55093.00	58494.00	59537.00	56292.00	59897.00	65505.00	55569.00
PG(O-18:0/21:0)	35284.00	42416.00	75262.00	68090.00	43535.00	41759.00	75450.00	93412.00	99180.00	46102.00	35395.00	61400.00	57595.00	80848.00	50447.00	52404.00	78108.00	33156.00	74716.00	68195.00	39802.00	61712.00	42454.00	55135.00	56474.00	54534.00	108645.00	106477.00	34130.00	54722.00
C6 H2 Cl2 N O5 S4	48823.00	45870.00	50587.00	49543.00	50174.00	53432.00	52721.00	54749.00	53340.00	48102.00	55819.00	52422.00	55619.00	53686.00	55476.00	57546.00	58294.00	54312.00	56127.00	54441.00	50087.00	55065.00	55839.00	51537.00	57698.00	54338.00	54934.00	55272.00	58193.00	51426.00
Phoxim	25762.00	19228.00	21211.00	27561.00	23442.00	26825.00	16967.00	15313.00	16523.00	22703.00	28421.00	28337.00	12997.00	11646.00	22826.00	19286.00	19664.00	16416.00	22430.00	16819.00	26400.00	30498.00	22739.00	18651.00	26356.00	22876.00	16361.00	24955.00	19166.00	25457.00
Sucrose	15924.00	5711.00	3648.00	7389.00	2652.00	12587.00	3391.00	8568.00	8034.00	7186.00	5798.00	1.00	1.00	4869.00	2248.00	1.00	1.00	1.00	5754.00	4264.00	5057.00	59420.00	18844.00	4336.00	19331.00	6199.00	4958.00	5033.00	11382.00	4831.00
1,2,3,4,6,7,8-Heptachlorodibenzodioxin	46088.00	43222.00	49128.00	48837.00	54184.00	55304.00	51574.00	51878.00	49797.00	47137.00	51320.00	52959.00	51486.00	51136.00	55751.00	55249.00	56618.00	51408.00	53132.00	51393.00	45228.00	54678.00	54903.00	46478.00	56763.00	53936.00	48910.00	53686.00	57410.00	48460.00
Pregna-4,16-diene-3,11,20-trione Esi-11.011995	38566.00	44689.00	61932.00	137888.00	43737.00	107404.00	46583.00	46601.00	109532.00	162937.00	134049.00	31970.00	119790.00	125457.00	116482.00	109070.00	41895.00	45744.00	137556.00	133200.00	106055.00	116238.00	131207.00	138164.00	44565.00	173250.00	135708.00	42008.00	39599.00	138902.00
C5 H4 O8 S2	60414.00	62182.00	65989.00	71560.00	74872.00	66477.00	70971.00	60503.00	68477.00	69697.00	63945.00	65664.00	61374.00	66802.00	67262.00	66836.00	68290.00	67787.00	60536.00	64515.00	59112.00	63369.00	63617.00	65322.00	63550.00	63968.00	65893.00	62845.00	67884.00	63400.00
Butacaine	22360.00	26342.00	24313.00	47489.00	19245.00	18490.00	36471.00	28728.00	32700.00	19920.00	5428.00	14207.00	31683.00	45453.00	16894.00	5662.00	4528.00	20714.00	26212.00	25599.00	15441.00	24158.00	16952.00	32243.00	20570.00	40362.00	34567.00	50459.00	18470.00	33609.00
PC(16:0/12:0)	34978.00	35085.00	38418.00	38227.00	44985.00	48723.00	42176.00	36395.00	45241.00	36246.00	37646.00	47163.00	40435.00	46096.00	46783.00	48257.00	51169.00	41788.00	42872.00	44444.00	41437.00	43341.00	62818.00	35909.00	49511.00	46287.00	36852.00	47577.00	57625.00	39524.00
C8 H Cl3 N2 O4 S5	48241.00	42305.00	46577.00	49507.00	52124.00	57631.00	51436.00	53093.00	52409.00	44362.00	50186.00	50275.00	52639.00	50874.00	53864.00	52219.00	54586.00	50699.00	49429.00	51299.00	47007.00	52396.00	57851.00	47307.00	54401.00	54124.00	50658.00	53892.00	57956.00	48818.00
C3 H2 N2 O7	8029.00	17777.00	18952.00	10024.00	29260.00	21083.00	14480.00	29772.00	12836.00	11068.00	57838.00	32663.00	24838.00	14489.00	26181.00	32250.00	27583.00	12874.00	13910.00	6762.00	31129.00	24280.00	4243.00	22478.00	17559.00	17436.00	13608.00	16739.00	8858.00	4919.00
C28 H59 N19 O	38329.00	40069.00	39250.00	41986.00	47668.00	51344.00	41819.00	41891.00	45838.00	34913.00	41977.00	45970.00	43173.00	47191.00	49593.00	50356.00	52566.00	45317.00	42528.00	46311.00	41599.00	49907.00	65115.00	38049.00	47642.00	49758.00	37341.00	46854.00	56858.00	38701.00
CAY10526	51602.00	52461.00	51264.00	53574.00	54562.00	58490.00	55485.00	60798.00	56463.00	52178.00	57770.00	52033.00	59965.00	58826.00	57195.00	56598.00	56448.00	57923.00	58405.00	56720.00	47390.00	58063.00	56703.00	53927.00	59157.00	59341.00	58177.00	58323.00	57917.00	58032.00
LysoPE(22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	16155.00	22652.00	15696.00	37085.00	12289.00	7948.00	39716.00	43512.00	14020.00	41114.00	15252.00	5869.00	12744.00	25098.00	9018.00	1.00	1.00	19368.00	21908.00	23822.00	6144.00	10740.00	9638.00	36441.00	26398.00	44069.00	34821.00	24691.00	15202.00	57377.00
C-12 NBD Ceramide	30123.00	22201.00	59001.00	54656.00	19773.00	7855.00	19834.00	5995.00	36509.00	35853.00	2443.00	19958.00	48807.00	40244.00	17658.00	16676.00	11988.00	14486.00	3962.00	28509.00	19834.00	6934.00	12610.00	9829.00	16384.00	36526.00	38001.00	56434.00	2942.00	29832.00
Tephrowatsin B	23203.00	31432.00	15938.00	57448.00	19489.00	16412.00	5271.00	4420.00	1.00	1.00	3794.00	9963.00	22641.00	53406.00	2178.00	1.00	1.00	1.00	1.00	12429.00	7662.00	30314.00	12740.00	52712.00	55984.00	41087.00	1.00	1.00	15945.00	55003.00
Gemfibrozil, metabolite II	12535.00	18577.00	17989.00	14762.00	17916.00	33119.00	44078.00	40864.00	45013.00	39831.00	20067.00	16964.00	36345.00	38237.00	38776.00	34650.00	24492.00	39738.00	31798.00	19836.00	15606.00	15709.00	13856.00	35359.00	35693.00	47199.00	52040.00	39218.00	18017.00	32856.00
N-heptanoyl-homoserine lactone	4522.00	3870.00	5993.00	1.00	1.00	1.00	2457.00	1.00	3516.00	3460.00	2007.00	2873.00	4553.00	3619.00	4770.00	5367.00	2607.00	2566.00	1.00	2937.00	2932.00	1.00	7409.00	1.00	4181.00	1.00	3695.00	4403.00	1.00	2001.00
PE(12:0/15:1(9Z))	8549.00	4017.00	13439.00	8697.00	3540.00	2334.00	7269.00	2660.00	9815.00	6993.00	1.00	4265.00	13791.00	10302.00	6149.00	11534.00	4909.00	2731.00	1.00	5047.00	4110.00	2194.00	6113.00	4812.00	4216.00	7329.00	7508.00	12803.00	1.00	4688.00
24-Nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-pentol Esi-13.625	14641.00	17526.00	18706.00	30641.00	15722.00	10927.00	37449.00	29873.00	36375.00	20028.00	4330.00	11221.00	24289.00	28251.00	12979.00	3635.00	4054.00	20067.00	28495.00	22625.00	10808.00	16000.00	10334.00	24714.00	15876.00	29358.00	39708.00	47185.00	10096.00	28580.00
C10 H Cl3 N O6 S3	46886.00	45256.00	47419.00	46345.00	52392.00	51867.00	50428.00	50129.00	49557.00	47455.00	53192.00	51703.00	51047.00	49620.00	54569.00	55300.00	54123.00	48880.00	49840.00	49863.00	45997.00	52373.00	53765.00	45413.00	52722.00	52720.00	49886.00	50816.00	54564.00	45897.00
Pregna-4,16-diene-3,11,20-trione Esi-11.247003	45915.00	61270.00	62025.00	47974.00	66215.00	49137.00	48867.00	59655.00	51709.00	50112.00	43536.00	38266.00	53763.00	47243.00	32780.00	30996.00	61044.00	50789.00	42368.00	53915.00	40577.00	41599.00	46044.00	50321.00	45881.00	55922.00	47718.00	37346.00	61398.00	51657.00
Sarmentosin epoxide	10096.00	6240.00	9760.00	7073.00	5297.00	5801.00	5632.00	8379.00	8037.00	13045.00	8777.00	5367.00	4858.00	4664.00	4042.00	2880.00	1.00	3867.00	9467.00	5179.00	4804.00	23867.00	5679.00	6607.00	10216.00	6108.00	9184.00	2735.00	5900.00	5570.00
2-Hydroxy-5-methylquinone	15155.00	10453.00	12170.00	10579.00	10796.00	16918.00	13189.00	14735.00	11619.00	12659.00	38657.00	9408.00	14094.00	20230.00	15656.00	15622.00	14111.00	11431.00	10931.00	19119.00	9859.00	14515.00	28777.00	13364.00	11302.00	15012.00	10214.00	10130.00	12496.00	54688.00
1,2,3,4,7,8,9-Heptachlorodibenzofuran	37448.00	34258.00	40032.00	42185.00	47200.00	47581.00	46023.00	45259.00	42156.00	41431.00	42985.00	42203.00	43982.00	48044.00	47540.00	48131.00	43541.00	42936.00	43374.00	43367.00	38219.00	42069.00	46684.00	40348.00	46156.00	46170.00	38876.00	45124.00	46709.00	44838.00
C6 H2 N2 O3 S Esi-0.83200026 :1	224049.00	192372.00	242935.00	254697.00	262948.00	225278.00	214168.00	252404.00	276471.00	237633.00	237760.00	222240.00	226109.00	267812.00	290163.00	278488.00	272173.00	256758.00	243263.00	243189.00	234777.00	253377.00	227456.00	199631.00	271141.00	232010.00	262455.00	230148.00	223125.00	190396.00
2-amino-4-cyano-butanoic acid	24941.00	12669.00	21411.00	9288.00	12707.00	9289.00	33046.00	24124.00	13117.00	54150.00	13340.00	37603.00	33778.00	5074.00	3867.00	5430.00	16477.00	22661.00	32362.00	9002.00	23098.00	4046.00	2262.00	36254.00	19316.00	11000.00	35219.00	4204.00	3421.00	38464.00
C21 H25 N10 O16	36563.00	36331.00	41939.00	26918.00	27196.00	23226.00	36017.00	31749.00	28091.00	36183.00	26588.00	20097.00	35005.00	30646.00	33462.00	34436.00	34661.00	18498.00	27123.00	26363.00	26981.00	24482.00	31160.00	25328.00	19680.00	23248.00	39948.00	25604.00	29916.00	38254.00
2-(m-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane Esi-0.83699995	133556.00	133124.00	135302.00	125741.00	148061.00	163815.00	135714.00	144704.00	139539.00	136607.00	151824.00	138710.00	151678.00	149149.00	157526.00	161127.00	145698.00	150681.00	145380.00	143055.00	132841.00	164424.00	152679.00	139315.00	155115.00	144779.00	145618.00	161035.00	155334.00	139904.00
5-Fluorouridine monophosphate	40121.00	49115.00	46209.00	23710.00	29838.00	29499.00	36196.00	40304.00	32221.00	46004.00	23955.00	21432.00	45818.00	31940.00	41301.00	34342.00	40770.00	19321.00	35146.00	27627.00	25279.00	26103.00	36425.00	29629.00	20300.00	28075.00	48568.00	32344.00	37612.00	32287.00
?-D-Glucose Esi-0.9729997	296322.00	88863.00	138555.00	151228.00	153984.00	211214.00	163084.00	230504.00	212330.00	197369.00	82080.00	154965.00	135231.00	211426.00	144537.00	89141.00	79635.00	112798.00	224579.00	146957.00	125490.00	217178.00	75709.00	123433.00	157894.00	221441.00	247229.00	74520.00	143553.00	991768.00
Nabam Esi-1.03	47769.00	41751.00	44808.00	52132.00	43802.00	35132.00	52598.00	50912.00	46386.00	40281.00	40863.00	45145.00	43896.00	45903.00	51469.00	38671.00	53320.00	51192.00	56109.00	42378.00	35050.00	47285.00	81263.00	46595.00	44723.00	48830.00	49948.00	43925.00	56894.00	32804.00
C3 H4 N2 O3 S3	9606.00	22220.00	22201.00	9711.00	23850.00	16893.00	18024.00	29903.00	13307.00	13195.00	49072.00	25884.00	25065.00	14222.00	22647.00	26654.00	17936.00	16782.00	18135.00	7295.00	30499.00	23908.00	1.00	22786.00	19498.00	18000.00	16344.00	19383.00	5709.00	6539.00
Arg Asp Pro	34188.00	33934.00	35039.00	35128.00	40451.00	34934.00	44521.00	38275.00	34633.00	43820.00	39825.00	29613.00	32649.00	36351.00	36910.00	36190.00	35309.00	29745.00	32790.00	37079.00	28852.00	36164.00	33196.00	42019.00	33348.00	33819.00	41149.00	32158.00	33842.00	30990.00
TRIBOA	22301.00	24649.00	27546.00	37855.00	29311.00	9939.00	8077.00	7056.00	4889.00	6157.00	50768.00	21263.00	6561.00	8326.00	6070.00	7609.00	6249.00	5108.00	7722.00	8902.00	19700.00	28950.00	40110.00	9729.00	7693.00	8948.00	6922.00	5181.00	7780.00	10121.00
C37 H71 N5 O2	32983.00	30774.00	35100.00	34553.00	38473.00	42950.00	40720.00	37708.00	41288.00	33922.00	39175.00	41222.00	38432.00	42730.00	40354.00	42062.00	45257.00	37484.00	38623.00	40881.00	35245.00	42559.00	51630.00	33772.00	42497.00	44914.00	36370.00	41119.00	48059.00	34687.00
C3 O2 S	57231.00	60613.00	58570.00	52303.00	62760.00	63874.00	67262.00	66667.00	62589.00	41396.00	67383.00	72604.00	48110.00	62124.00	68102.00	51037.00	56105.00	53849.00	62419.00	51731.00	41087.00	64426.00	53317.00	59222.00	57093.00	51184.00	61470.00	49656.00	47102.00	63663.00
C31 H43 N7 O5	19635.00	38270.00	50135.00	15846.00	32984.00	12229.00	20681.00	27160.00	25782.00	20826.00	7222.00	31393.00	45889.00	23616.00	49577.00	40836.00	21528.00	29906.00	23320.00	21818.00	14646.00	19869.00	32198.00	15655.00	8967.00	22570.00	26985.00	22528.00	15073.00	17051.00
D-Glutamine Esi-0.89399964	432622.00	919627.00	822945.00	488123.00	378212.00	47736.00	588625.00	557654.00	463419.00	565261.00	355797.00	535308.00	494288.00	305342.00	285755.00	271120.00	201851.00	444702.00	369884.00	466453.00	586409.00	246063.00	16513.00	524564.00	371432.00	253402.00	511499.00	300367.00	25077.00	677777.00
Calcimycin	14685.00	16379.00	14602.00	28334.00	7947.00	4869.00	22258.00	38916.00	12376.00	28416.00	9239.00	3208.00	11040.00	22759.00	5918.00	1.00	1.00	11016.00	19728.00	21189.00	3787.00	13666.00	6591.00	30005.00	22853.00	24501.00	31756.00	16908.00	8613.00	49608.00
Loroxanthin ester/ Loroxanthin dodecenoate	37838.00	33510.00	32359.00	40228.00	29452.00	32802.00	48828.00	56982.00	91053.00	19513.00	29272.00	43601.00	37139.00	43409.00	55329.00	14892.00	35089.00	71420.00	52388.00	54970.00	25737.00	33740.00	33989.00	41325.00	39391.00	60956.00	49913.00	67156.00	30331.00	48654.00
Glutathione, oxidized Esi-1.5369996	40740.00	28970.00	22761.00	40419.00	29893.00	28355.00	30588.00	25571.00	36885.00	26853.00	33388.00	35034.00	22415.00	23794.00	24445.00	29457.00	9235.00	27301.00	16506.00	17572.00	45549.00	32224.00	12837.00	28279.00	40160.00	28518.00	25356.00	13912.00	15618.00	21134.00
methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate	35515.00	29985.00	38378.00	40582.00	32069.00	27029.00	46118.00	45038.00	45512.00	40894.00	27420.00	29124.00	32653.00	43575.00	34648.00	31001.00	30805.00	38399.00	33031.00	38133.00	25780.00	29498.00	30580.00	34181.00	34385.00	36913.00	48415.00	52167.00	28736.00	34977.00
C8 H3 Cl3 N5 S5	38549.00	37327.00	39852.00	39023.00	44013.00	44404.00	41306.00	44944.00	42657.00	38700.00	43159.00	41317.00	47332.00	44353.00	43947.00	47254.00	47317.00	44394.00	43018.00	42320.00	40286.00	44088.00	46002.00	39146.00	45595.00	46259.00	43197.00	44871.00	46125.00	39300.00
C6 H4 Cl2 N2 O2 S4	20924.00	18886.00	19494.00	20863.00	25508.00	23502.00	25079.00	21594.00	23477.00	21021.00	22941.00	22265.00	20619.00	22491.00	24475.00	25333.00	25047.00	22947.00	21151.00	23770.00	18973.00	23973.00	24185.00	19801.00	23898.00	22072.00	20107.00	23213.00	24343.00	19876.00
C4 H4 Cl2 O6 S4	43761.00	39660.00	42359.00	43186.00	45641.00	46370.00	47350.00	47419.00	46748.00	42957.00	43676.00	47023.00	46007.00	48074.00	51141.00	48617.00	49845.00	45020.00	45672.00	44541.00	41804.00	47310.00	49607.00	42453.00	47250.00	48203.00	44987.00	46876.00	51799.00	45101.00
C18 Sulfatide	32874.00	23587.00	51367.00	43688.00	11205.00	8300.00	42514.00	5448.00	39161.00	40566.00	1.00	15973.00	32472.00	53623.00	15099.00	13150.00	1.00	8967.00	1.00	29957.00	9309.00	11038.00	17233.00	20796.00	27132.00	32215.00	26354.00	68747.00	2182.00	31928.00
4-Methyl-3-oxoadipate-enol-lactone	100998.00	72971.00	58906.00	366128.00	199660.00	47567.00	215864.00	235944.00	184044.00	125209.00	14235.00	38784.00	97181.00	59139.00	59462.00	22294.00	48789.00	79485.00	270434.00	75999.00	6162.00	43014.00	2043.00	120676.00	76427.00	135748.00	304122.00	10959.00	38829.00	283944.00
Pregna-4,16-diene-3,11,20-trione Esi-11.005003	39797.00	144132.00	45696.00	139966.00	96563.00	145543.00	45377.00	144652.00	133031.00	43731.00	154774.00	139436.00	152864.00	41173.00	148895.00	138373.00	180763.00	146517.00	136917.00	141816.00	137966.00	123753.00	146458.00	157777.00	45277.00	145792.00	163447.00	152932.00	148680.00	145702.00
Doisynoestrol	42280.00	41628.00	46569.00	43366.00	43174.00	46076.00	42394.00	40653.00	42387.00	44854.00	37241.00	32964.00	45281.00	41168.00	41468.00	44528.00	56930.00	43462.00	42391.00	40381.00	38655.00	37346.00	42328.00	42187.00	44517.00	43148.00	42218.00	47121.00	41317.00	42055.00
Phytuberin Esi-14.114006	25935.00	30488.00	40464.00	43788.00	22320.00	20355.00	35022.00	32504.00	39606.00	36818.00	14190.00	20249.00	24854.00	47893.00	23909.00	11876.00	15148.00	27707.00	22964.00	26000.00	14454.00	20961.00	16980.00	20865.00	29708.00	31591.00	40275.00	62391.00	14394.00	41665.00
C12 H5 Cl3 N2 O2 S4	39060.00	39751.00	41240.00	43243.00	45646.00	45411.00	42643.00	44145.00	43860.00	38856.00	45456.00	42965.00	46206.00	45572.00	46410.00	46225.00	46831.00	45491.00	42689.00	44331.00	39038.00	45488.00	47722.00	40946.00	43307.00	44732.00	41897.00	45900.00	48644.00	43531.00
Methyl jasmonate	27190.00	26025.00	44399.00	4839.00	4536.00	1.00	5827.00	1.00	20167.00	38369.00	1.00	4329.00	22915.00	22245.00	4941.00	7187.00	1.00	8767.00	1.00	16205.00	6133.00	1.00	13721.00	2613.00	9600.00	2233.00	36795.00	26038.00	1.00	18360.00
Estrone glucuronide	33934.00	4723.00	31130.00	1.00	9145.00	5505.00	9640.00	5635.00	11050.00	15626.00	3441.00	1.00	67771.00	7418.00	19488.00	105705.00	12462.00	1.00	1.00	3749.00	7606.00	36525.00	50558.00	4429.00	1.00	1.00	80121.00	7161.00	12783.00	1.00
N-methylundec-10-enamide	13423.00	9531.00	13588.00	9289.00	13109.00	10455.00	12191.00	42550.00	5235.00	13800.00	9652.00	18409.00	15693.00	9671.00	7386.00	11628.00	18985.00	29343.00	8754.00	18162.00	9876.00	13172.00	11457.00	4169.00	9849.00	11181.00	23366.00	6303.00	13368.00	33029.00
C26 H47 N14 O3	38307.00	38965.00	42783.00	41579.00	42390.00	42865.00	42086.00	42240.00	36490.00	44004.00	39833.00	37471.00	42370.00	42096.00	43636.00	43813.00	42108.00	45994.00	42877.00	42872.00	38730.00	43064.00	40700.00	41178.00	41966.00	41429.00	44358.00	42369.00	42529.00	41717.00
C36 H53 N18	31550.00	28125.00	32295.00	33148.00	32769.00	36057.00	32497.00	32627.00	33085.00	31231.00	31088.00	35694.00	33243.00	36256.00	39204.00	38770.00	40224.00	37020.00	36203.00	34625.00	30909.00	37910.00	47741.00	30131.00	38808.00	37047.00	29738.00	38858.00	46277.00	30964.00
Leucomycin A6	30919.00	27261.00	30476.00	30179.00	34884.00	39655.00	34665.00	32922.00	33582.00	27511.00	32168.00	33803.00	34350.00	39187.00	39609.00	36601.00	40402.00	36454.00	34847.00	36343.00	32036.00	37195.00	48961.00	29912.00	38388.00	38401.00	33136.00	40268.00	45914.00	33564.00
PS(22:2(13Z,16Z)/14:0)	54846.00	18953.00	95388.00	73666.00	12516.00	18960.00	34669.00	4321.00	75293.00	30465.00	1.00	11606.00	29046.00	54398.00	9078.00	2252.00	1.00	9448.00	1.00	23804.00	4453.00	6093.00	7567.00	13310.00	20487.00	44050.00	73838.00	60636.00	1.00	35268.00
PE(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-11.678	10065.00	21960.00	16840.00	35369.00	8204.00	8089.00	23241.00	32538.00	16306.00	18631.00	8583.00	6541.00	8114.00	29232.00	7709.00	1.00	1.00	11791.00	20127.00	19344.00	2927.00	18748.00	7670.00	27551.00	21865.00	27591.00	21409.00	18622.00	11735.00	45165.00
Citalopram alcohol	31716.00	7534.00	12071.00	14958.00	13918.00	41893.00	25085.00	21656.00	23018.00	15483.00	4719.00	15340.00	15215.00	26666.00	19168.00	19627.00	9628.00	11683.00	24960.00	17717.00	8355.00	30945.00	6267.00	9610.00	23360.00	29872.00	23849.00	10222.00	25337.00	26555.00
C19 H Cl3 O3 S5	33608.00	32059.00	36418.00	34648.00	38915.00	41465.00	37612.00	38544.00	39273.00	32414.00	39155.00	38452.00	39950.00	40768.00	41421.00	42723.00	44325.00	39255.00	37007.00	39012.00	34358.00	42242.00	43855.00	35174.00	40239.00	42275.00	37745.00	39887.00	44429.00	34743.00
C7 H3 Cl3 S5	34180.00	30714.00	30939.00	32743.00	33952.00	35066.00	43058.00	35924.00	35057.00	36924.00	33681.00	31059.00	37282.00	35858.00	42070.00	40113.00	36215.00	36532.00	35252.00	39927.00	29177.00	35284.00	36243.00	31053.00	30896.00	30379.00	37375.00	34097.00	32966.00	32514.00
C3 H2 N3 O3	65884.00	99252.00	123307.00	74076.00	78528.00	89131.00	87400.00	112355.00	80868.00	84239.00	104884.00	102153.00	80027.00	80915.00	80862.00	79157.00	79529.00	110434.00	79607.00	107429.00	74834.00	76793.00	103161.00	73001.00	82683.00	77618.00	75330.00	79413.00	102677.00	82062.00
3-Acetamidopropanal	23831.00	33559.00	32197.00	39731.00	39296.00	27104.00	17512.00	34707.00	44588.00	32653.00	10576.00	25270.00	20198.00	20986.00	27946.00	18254.00	12075.00	26352.00	22419.00	16516.00	41187.00	18198.00	6158.00	37421.00	32323.00	25337.00	33685.00	12119.00	11113.00	28484.00
HMB-Val-Ser-Leu-VE	10471.00	20235.00	44138.00	14937.00	27567.00	9728.00	15116.00	32623.00	21329.00	12316.00	3922.00	23017.00	16333.00	16546.00	10546.00	21669.00	6569.00	15437.00	9851.00	11642.00	14725.00	14826.00	13045.00	11360.00	5869.00	15636.00	14750.00	14257.00	9726.00	12505.00
Theophylline	20576.00	1.00	1.00	43220.00	11139.00	30979.00	1.00	7398.00	35283.00	6563.00	1.00	5215.00	2700.00	4670.00	3137.00	2939.00	1.00	12745.00	1.00	1.00	3768.00	1.00	3716.00	11952.00	4043.00	5907.00	6901.00	5885.00	3668.00	33036.00
ADP-D-ribose	16993.00	27620.00	34389.00	27042.00	24495.00	4233.00	13635.00	27690.00	17227.00	37790.00	19542.00	19542.00	23792.00	13599.00	20362.00	12178.00	13072.00	28614.00	34232.00	16446.00	17655.00	18296.00	5282.00	29362.00	15621.00	18207.00	29174.00	13685.00	6208.00	23215.00
C9 H5 Cl3 N O S4	36359.00	35539.00	36674.00	34277.00	37604.00	38312.00	41173.00	38260.00	38888.00	37694.00	38247.00	38775.00	40810.00	35818.00	40534.00	41793.00	35931.00	40061.00	38075.00	37441.00	35810.00	40102.00	38076.00	34774.00	39863.00	39763.00	37469.00	36844.00	39853.00	39338.00
7-(bromochloromethyl)-3R,4S,8-trichloro-3-methyl-1,5E,7E-octatriene	12852.00	22507.00	19474.00	13111.00	20123.00	18017.00	16321.00	30002.00	16713.00	16836.00	41283.00	20920.00	23935.00	16508.00	21639.00	24486.00	18033.00	18855.00	23377.00	14286.00	23055.00	19961.00	5537.00	21331.00	20571.00	19804.00	18436.00	20325.00	9812.00	13244.00
6-Hydroxyluteolin 6-glucoside-3'-rhamnoside	31002.00	31240.00	34730.00	22226.00	23177.00	20799.00	31552.00	27110.00	23918.00	30905.00	23889.00	16430.00	28467.00	26746.00	27297.00	28839.00	29532.00	16871.00	22389.00	20439.00	22289.00	21457.00	26012.00	22776.00	15178.00	20198.00	33597.00	21481.00	26007.00	31417.00
C7 H2 N3 O4 S3 Esi-0.8710001	25764.00	36583.00	32068.00	16913.00	31673.00	21564.00	22127.00	48373.00	25019.00	28591.00	70813.00	32055.00	43563.00	26687.00	34033.00	31224.00	22980.00	30415.00	37234.00	26378.00	36227.00	32673.00	1.00	42483.00	32467.00	31677.00	36453.00	20526.00	7771.00	31160.00
C8 H4 N5 O7	5260.00	2144.00	12743.00	16403.00	26142.00	16246.00	42222.00	21769.00	4065.00	8011.00	5138.00	12428.00	3467.00	13467.00	30250.00	22381.00	23762.00	10693.00	13869.00	5333.00	14155.00	14338.00	31071.00	3992.00	12815.00	21249.00	6724.00	10563.00	14043.00	12172.00
C8 H2 O5 S2 Esi-0.84600025	73237.00	72458.00	75517.00	73274.00	77127.00	84883.00	81235.00	81822.00	79045.00	76114.00	83912.00	80630.00	80892.00	83272.00	82545.00	81374.00	84581.00	81929.00	78283.00	78140.00	76506.00	82341.00	85967.00	76857.00	86928.00	80396.00	75167.00	82704.00	86676.00	78465.00
Ala-Asn-OH	23198.00	37018.00	25705.00	33694.00	26354.00	11605.00	23120.00	23147.00	14462.00	23509.00	28981.00	25345.00	15029.00	36784.00	11820.00	6001.00	6116.00	31400.00	12043.00	8951.00	16580.00	18234.00	4633.00	30369.00	10820.00	30509.00	25949.00	3783.00	3972.00	27962.00
C5 H4 N2	29603.00	26835.00	25513.00	46107.00	34143.00	23477.00	33620.00	40917.00	35364.00	29795.00	16840.00	23618.00	27528.00	25125.00	25821.00	37979.00	27793.00	26145.00	37955.00	27534.00	15170.00	21437.00	15550.00	29033.00	27502.00	32318.00	43689.00	14635.00	24005.00	39588.00
C36 H75 N6 S	31357.00	28958.00	33587.00	30147.00	35348.00	35989.00	30739.00	32487.00	34439.00	27561.00	31430.00	30326.00	27668.00	34392.00	35759.00	33639.00	34107.00	31192.00	31560.00	33346.00	30195.00	34063.00	38198.00	29424.00	33481.00	35042.00	30613.00	32894.00	37931.00	30101.00
4-Heptyloxyphenol	57688.00	57440.00	55349.00	53931.00	55576.00	54741.00	56413.00	54770.00	53904.00	56210.00	57287.00	53720.00	54337.00	59030.00	55616.00	54770.00	54482.00	55299.00	51932.00	52571.00	50591.00	51481.00	55230.00	57086.00	56346.00	57081.00	53599.00	57082.00	52472.00	56185.00
170.0943@7.988999	6430.00	2712.00	7097.00	1.00	1.00	1.00	1.00	1.00	3768.00	2543.00	1.00	1.00	7193.00	3869.00	3630.00	7512.00	1.00	1.00	1.00	1.00	3227.00	1.00	6750.00	1.00	1.00	1.00	2850.00	4853.00	1.00	1.00
N-benzylideneaniline n-oxide	79816.00	140107.00	101479.00	116200.00	93382.00	46572.00	76113.00	89031.00	60289.00	40239.00	98897.00	106099.00	28286.00	119094.00	18461.00	12705.00	12969.00	96713.00	37703.00	19290.00	69198.00	63327.00	20145.00	113892.00	21675.00	108752.00	86639.00	32482.00	19087.00	117672.00
Lys Ala Val	1.00	1.00	1.00	3214.00	1.00	3061.00	12875.00	3142.00	1.00	1.00	1.00	7167.00	8458.00	2210.00	3579.00	34519.00	19432.00	8290.00	2058.00	29287.00	10831.00	1.00	12132.00	12063.00	1.00	13325.00	1.00	1.00	3326.00	1.00
Methyl jasmonate Esi-8.727001	22931.00	30420.00	43466.00	3770.00	4726.00	1.00	4480.00	1.00	21778.00	37567.00	1.00	4437.00	22936.00	17696.00	2973.00	2884.00	1.00	9065.00	1.00	13776.00	5802.00	1.00	12426.00	1.00	8628.00	2665.00	36551.00	24401.00	1.00	18357.00
methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate Esi-13.755003	17184.00	16406.00	12345.00	24208.00	15650.00	14122.00	26138.00	19219.00	22046.00	14957.00	7297.00	12001.00	20589.00	23135.00	12851.00	8851.00	8790.00	17127.00	17000.00	16866.00	11660.00	16886.00	15669.00	17834.00	14713.00	23573.00	31794.00	24341.00	12743.00	19549.00
Phenolic phosphate	5833.00	13921.00	12679.00	8468.00	17995.00	15014.00	12300.00	22359.00	10449.00	8848.00	39698.00	19466.00	17738.00	12980.00	17913.00	22961.00	19536.00	10386.00	13456.00	5238.00	21540.00	16133.00	3093.00	17209.00	13155.00	13256.00	12440.00	13022.00	6410.00	6081.00
Butoctamide hydrogen succinate	23105.00	22359.00	23667.00	25580.00	20929.00	21374.00	22185.00	25022.00	24211.00	21262.00	21947.00	21658.00	30341.00	23426.00	23240.00	31160.00	26324.00	34818.00	29864.00	27313.00	18041.00	26758.00	21350.00	26496.00	22544.00	23753.00	31671.00	25344.00	28673.00	21741.00
Athamantin Esi-9.890005	20925.00	77653.00	81600.00	22354.00	116024.00	80726.00	99595.00	80604.00	20199.00	114048.00	104430.00	24048.00	114944.00	12096.00	23361.00	242018.00	99517.00	26134.00	19588.00	69587.00	37927.00	153178.00	25515.00	83697.00	26116.00	22417.00	175747.00	17278.00	104629.00	2628.00
PE(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	24398.00	21168.00	26014.00	25453.00	28530.00	33195.00	26842.00	22351.00	26599.00	20953.00	27408.00	31114.00	28408.00	29681.00	30994.00	32742.00	35636.00	30800.00	28597.00	30690.00	27666.00	30690.00	44430.00	21596.00	32918.00	30047.00	23054.00	33441.00	40157.00	24077.00
Triazamate	14479.00	12788.00	22099.00	7174.00	28457.00	19528.00	25160.00	20419.00	11120.00	30055.00	16774.00	5184.00	23180.00	8991.00	15324.00	37993.00	17245.00	4964.00	3295.00	17721.00	7534.00	23450.00	15942.00	26364.00	7153.00	5145.00	37465.00	11219.00	18599.00	1.00
S 1319	17124.00	8088.00	21407.00	18490.00	23201.00	11690.00	23002.00	19488.00	11697.00	27622.00	21773.00	7559.00	19693.00	11043.00	29198.00	11023.00	8197.00	25674.00	34571.00	11851.00	4442.00	8795.00	2631.00	27091.00	9182.00	12632.00	35302.00	8648.00	3831.00	20351.00
4-PIOL	28703.00	24945.00	29001.00	36796.00	18854.00	17775.00	20705.00	34331.00	24560.00	23369.00	17211.00	32667.00	25612.00	32185.00	15568.00	16514.00	14525.00	27539.00	25051.00	15695.00	24092.00	24137.00	5134.00	23427.00	29930.00	17550.00	18916.00	12444.00	9808.00	22763.00
C30 H67 N9 O8	25784.00	21084.00	26764.00	25826.00	25321.00	27209.00	26622.00	25174.00	28979.00	24611.00	22455.00	30111.00	24851.00	26842.00	28177.00	26837.00	32099.00	28710.00	25078.00	25442.00	23693.00	26426.00	37306.00	25640.00	29261.00	28510.00	25768.00	28503.00	32256.00	26733.00
Actinonin	18859.00	18660.00	22283.00	23166.00	19639.00	19665.00	21573.00	21294.00	21041.00	20047.00	20473.00	20121.00	28300.00	20938.00	22422.00	29753.00	22536.00	33726.00	27495.00	25660.00	20246.00	24615.00	22169.00	24320.00	23145.00	21103.00	28664.00	23241.00	27378.00	20062.00
Dichlormid	30287.00	32821.00	36680.00	36502.00	30115.00	22624.00	32053.00	33921.00	28451.00	32613.00	30632.00	26348.00	25431.00	31668.00	31002.00	24670.00	19405.00	28072.00	33002.00	30305.00	27426.00	26902.00	9023.00	30012.00	22111.00	27037.00	32937.00	23235.00	12862.00	33683.00
C39 H77 S	29327.00	29848.00	34141.00	31363.00	26832.00	22606.00	28656.00	32966.00	30453.00	33553.00	26442.00	25368.00	25740.00	28112.00	26836.00	22143.00	16678.00	27351.00	29590.00	27780.00	24674.00	25235.00	11868.00	31952.00	26351.00	26888.00	29620.00	23895.00	17339.00	33553.00
C12 H Cl3 O12 S5	28369.00	24897.00	26830.00	27942.00	30882.00	34633.00	30517.00	30918.00	30624.00	25888.00	29736.00	31497.00	32343.00	33609.00	33164.00	33204.00	34467.00	31322.00	31188.00	31973.00	27074.00	31494.00	36572.00	28142.00	33621.00	34017.00	30798.00	33785.00	36632.00	30001.00
C16 H Cl N2 S4	43215.00	44570.00	43086.00	45300.00	49059.00	48873.00	45948.00	47281.00	49308.00	46178.00	48424.00	47905.00	49379.00	47391.00	51341.00	51709.00	51983.00	46908.00	47258.00	47805.00	42877.00	48128.00	54314.00	45428.00	49100.00	50996.00	48724.00	51584.00	55376.00	45337.00
AUDA	7733.00	9131.00	10415.00	16060.00	9466.00	5302.00	25309.00	19012.00	20225.00	11792.00	2743.00	5504.00	13228.00	16632.00	5895.00	1.00	1.00	11154.00	15816.00	12885.00	4772.00	8682.00	6245.00	11420.00	9910.00	13907.00	22600.00	30234.00	5336.00	13994.00
C3 Cl3 N S	15953.00	19436.00	17780.00	18041.00	20628.00	20961.00	18919.00	17924.00	19130.00	17599.00	14693.00	17103.00	23732.00	22405.00	23368.00	24960.00	26134.00	22350.00	15594.00	16203.00	18136.00	19984.00	14337.00	18621.00	20008.00	22327.00	18261.00	22038.00	16048.00	12615.00
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	12761.00	7523.00	8825.00	18937.00	6325.00	5376.00	10527.00	19504.00	5803.00	25854.00	11830.00	1.00	12306.00	14950.00	2927.00	1.00	1.00	7783.00	24261.00	13094.00	1.00	10764.00	3647.00	29963.00	12446.00	27789.00	18640.00	13993.00	6640.00	36700.00
C37 H43 N21 O2	28242.00	30373.00	36211.00	32622.00	27798.00	26430.00	31010.00	32105.00	30241.00	35795.00	28930.00	29748.00	30471.00	31910.00	30298.00	26185.00	20228.00	30310.00	31670.00	28303.00	26775.00	28711.00	15335.00	32478.00	25555.00	28520.00	30284.00	27006.00	22791.00	34469.00
PE(O-16:0/16:1(9Z))	21318.00	19421.00	21220.00	22068.00	27037.00	27232.00	25370.00	23014.00	24421.00	18414.00	21254.00	25799.00	24040.00	26530.00	25918.00	27676.00	28317.00	26270.00	21227.00	26368.00	23633.00	27254.00	35248.00	23082.00	27497.00	27172.00	21947.00	24873.00	35454.00	21329.00
PS(22:4(7Z,10Z,13Z,16Z)/0:0)	13099.00	18861.00	30910.00	14447.00	11609.00	2740.00	12175.00	23989.00	11841.00	36161.00	17121.00	12385.00	17234.00	17304.00	9712.00	5431.00	1.00	11308.00	12669.00	15006.00	7281.00	11517.00	10450.00	14692.00	15660.00	15806.00	15424.00	13482.00	6514.00	25815.00
C38 H79 S	25757.00	22769.00	23504.00	28481.00	28375.00	27421.00	29648.00	23841.00	25945.00	26340.00	25076.00	29516.00	26255.00	26723.00	28019.00	27928.00	26971.00	22471.00	27589.00	29055.00	23447.00	26120.00	30231.00	24720.00	25591.00	27588.00	25730.00	25906.00	27620.00	28106.00
Palmityl Trifluoromethyl Ketone	16438.00	22501.00	10914.00	29452.00	84658.00	64346.00	37158.00	19191.00	22579.00	13130.00	6877.00	10603.00	31492.00	32249.00	8884.00	10607.00	6886.00	18714.00	14564.00	24523.00	11841.00	26853.00	13428.00	46112.00	21473.00	22871.00	51554.00	35262.00	15194.00	16764.00
2-Oxo-3-hydroxy-4-phosphobutanoate Esi-5.149998	5043.00	2611.00	5697.00	11333.00	10623.00	5142.00	11338.00	5667.00	5133.00	20984.00	9416.00	11123.00	5690.00	5671.00	12835.00	5610.00	5298.00	6063.00	19962.00	21297.00	11334.00	5434.00	6347.00	10703.00	6479.00	9877.00	5591.00	19077.00	21605.00	19753.00
C41 H81	25882.00	24789.00	25923.00	24898.00	26820.00	29114.00	26405.00	25782.00	25477.00	22353.00	28238.00	28194.00	28891.00	26953.00	28127.00	28436.00	30730.00	24964.00	27930.00	26908.00	24201.00	29116.00	31283.00	26003.00	28259.00	29905.00	25806.00	27166.00	30016.00	28221.00
MID42439:1?-hydroxy-23-[3-(1-hydroxy-1-methylethyl)phenyl]-22,22,23,23-tetradehydro-24,25,26,27-tetr	59721.00	37859.00	59021.00	61409.00	40721.00	61506.00	36627.00	37486.00	33626.00	65680.00	33093.00	59660.00	39059.00	58914.00	63987.00	64940.00	30603.00	68730.00	38029.00	33850.00	56847.00	34574.00	63691.00	40534.00	62187.00	32420.00	34215.00	63823.00	64381.00	51930.00
Dinoterb	15079.00	17616.00	32302.00	6964.00	8925.00	5150.00	3503.00	3485.00	2144.00	1.00	22548.00	26164.00	4456.00	3576.00	4349.00	2585.00	1.00	2670.00	1.00	1.00	27496.00	24259.00	8471.00	6115.00	4470.00	4947.00	2522.00	2304.00	1.00	1.00
24-fluoro-25-hydroxyvitamin D3 / 24-fluoro-25-hydroxycholecalciferol	11318.00	9960.00	10243.00	37130.00	8262.00	8056.00	28099.00	16349.00	24829.00	9842.00	1.00	5355.00	23485.00	32474.00	5483.00	1.00	1.00	8258.00	13419.00	13071.00	5842.00	11283.00	5457.00	20863.00	7170.00	28240.00	23793.00	34411.00	5444.00	26927.00
Uridine	15134.00	19354.00	12317.00	18839.00	9071.00	32966.00	10279.00	33544.00	30710.00	12363.00	10711.00	11664.00	4474.00	13215.00	13280.00	8931.00	1.00	9636.00	8693.00	12606.00	14328.00	25579.00	10795.00	14470.00	13701.00	19016.00	11925.00	4203.00	16779.00	13121.00
C34 H71 N6 O	27167.00	31825.00	33641.00	31481.00	26641.00	25541.00	27422.00	31401.00	29018.00	35576.00	26997.00	26246.00	27201.00	27749.00	24726.00	23256.00	19374.00	28865.00	30528.00	25931.00	25294.00	25990.00	17129.00	33544.00	25174.00	23610.00	27769.00	25042.00	19290.00	33311.00
C40 H73 N2	25632.00	26639.00	28256.00	30339.00	25947.00	26026.00	26336.00	28098.00	28584.00	28898.00	26023.00	26464.00	24904.00	25677.00	28874.00	24453.00	24524.00	26828.00	27986.00	25769.00	25957.00	27878.00	19928.00	29249.00	28312.00	26593.00	26102.00	25517.00	25061.00	31578.00
6Z,9Z-octadecadienoic acid	7550.00	9535.00	5526.00	18343.00	7417.00	5233.00	11255.00	31578.00	6339.00	7615.00	4393.00	3239.00	3192.00	19130.00	2606.00	1.00	1.00	4388.00	8970.00	6753.00	1.00	12444.00	2758.00	16190.00	17121.00	14965.00	7442.00	8575.00	6253.00	19455.00
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol Esi-8.735995	204721.00	199135.00	206625.00	205709.00	207989.00	211258.00	210050.00	199719.00	212534.00	205204.00	199834.00	183846.00	210444.00	209775.00	204784.00	199752.00	202551.00	207821.00	199044.00	199971.00	181006.00	194178.00	201580.00	202557.00	205831.00	206711.00	210903.00	202065.00	201299.00	201333.00
PS(21:0/0:0)	15908.00	17205.00	34777.00	19294.00	8517.00	5390.00	12705.00	23335.00	14857.00	23981.00	15007.00	16248.00	16696.00	21644.00	9926.00	6456.00	1.00	10914.00	13407.00	13615.00	14382.00	14782.00	13704.00	18526.00	17494.00	28862.00	21768.00	21660.00	6298.00	37670.00
C3 H6 N3 S	43501.00	27493.00	44745.00	32337.00	52783.00	29183.00	66226.00	34925.00	48534.00	32507.00	31933.00	37301.00	30112.00	27627.00	28678.00	25522.00	22814.00	29685.00	37695.00	26713.00	27601.00	25785.00	18403.00	30394.00	38598.00	30330.00	36902.00	26184.00	23825.00	69305.00
Hexazinone	32053.00	33720.00	33745.00	30647.00	30126.00	27959.00	23871.00	32604.00	31928.00	30616.00	23054.00	23556.00	26525.00	35589.00	30419.00	30360.00	30428.00	34501.00	36355.00	29528.00	30818.00	36475.00	30463.00	33173.00	28197.00	26120.00	29268.00	37170.00	32400.00	34997.00
cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene Esi-0.97100025	51206.00	105577.00	172213.00	27603.00	22316.00	36165.00	34327.00	41790.00	36895.00	33974.00	127150.00	23307.00	21645.00	41739.00	25509.00	19748.00	10899.00	16821.00	47396.00	25605.00	17985.00	35536.00	40536.00	19404.00	26626.00	34900.00	41590.00	12382.00	24405.00	287081.00
C13 H4 Cl2 O6 S5	27444.00	26720.00	28133.00	25922.00	28140.00	32527.00	29275.00	31650.00	30824.00	27723.00	30592.00	29953.00	32513.00	31717.00	33804.00	32850.00	33631.00	30943.00	32415.00	32150.00	26831.00	30413.00	32926.00	27580.00	33380.00	33176.00	30693.00	32562.00	34629.00	30184.00
4-Hydroxyethinylestradiol Esi-13.756996	15169.00	17886.00	15254.00	21138.00	14888.00	12169.00	22830.00	17710.00	19692.00	11468.00	6667.00	10218.00	16821.00	21418.00	8294.00	6324.00	3643.00	13596.00	17332.00	16005.00	10446.00	14877.00	11536.00	22503.00	12376.00	20272.00	21073.00	24082.00	10856.00	18291.00
PG(P-20:0/21:0)	31839.00	30284.00	28688.00	20855.00	15713.00	16404.00	29141.00	27038.00	46041.00	48814.00	8823.00	19320.00	24095.00	19589.00	39484.00	13166.00	68355.00	29033.00	25228.00	24432.00	12836.00	24729.00	22081.00	23229.00	19122.00	20047.00	37910.00	123671.00	22425.00	48602.00
Thioperamide	10981.00	17999.00	26816.00	20514.00	11780.00	4592.00	8780.00	18968.00	10173.00	25699.00	13773.00	12334.00	12368.00	8979.00	7296.00	4689.00	2821.00	8887.00	17904.00	8825.00	8513.00	5888.00	1.00	23421.00	6970.00	9125.00	12040.00	8543.00	1.00	29874.00
Montanol	20231.00	21298.00	23817.00	26604.00	18871.00	18502.00	25499.00	27013.00	26428.00	25252.00	16363.00	19014.00	22388.00	25537.00	19138.00	15127.00	17374.00	22147.00	20515.00	23525.00	15558.00	18637.00	18321.00	20868.00	22618.00	24907.00	28243.00	31447.00	16278.00	27114.00
C35 H71 N6	25011.00	24270.00	32188.00	28659.00	17305.00	16013.00	22500.00	28395.00	27785.00	29667.00	24869.00	18012.00	21191.00	26827.00	25744.00	16354.00	11335.00	27641.00	26776.00	24999.00	19862.00	22070.00	11823.00	25710.00	22789.00	18941.00	28730.00	23927.00	15128.00	30105.00
C5 H7 Cl O4 S4	6768.00	11800.00	12535.00	8284.00	14162.00	11742.00	10903.00	20153.00	9929.00	12467.00	28000.00	14016.00	15702.00	9369.00	14191.00	17699.00	12199.00	11724.00	13867.00	6676.00	13780.00	11675.00	5605.00	14035.00	10727.00	10507.00	11582.00	10498.00	5729.00	6539.00
TG(22:2(13Z,16Z)/22:2(13Z,16Z)/22:2(13Z,16Z))	12292.00	11753.00	12310.00	27022.00	10529.00	9027.00	23133.00	15061.00	20630.00	8955.00	1.00	7307.00	18896.00	24257.00	6910.00	1.00	1.00	9462.00	14460.00	13708.00	6532.00	12838.00	7725.00	16782.00	9794.00	22725.00	21469.00	28698.00	8043.00	22052.00
N'-Nitrosoanabasine	22450.00	25260.00	25243.00	24114.00	25727.00	24985.00	26137.00	26139.00	24411.00	26835.00	25281.00	26021.00	24375.00	25878.00	26597.00	27581.00	25817.00	26179.00	26056.00	27625.00	23501.00	23601.00	24866.00	25153.00	24262.00	28902.00	25690.00	26443.00	27069.00	26667.00
2-Chloro-3-oxoadipate	13218.00	12340.00	10261.00	7689.00	16283.00	12871.00	13410.00	25919.00	14853.00	8192.00	30539.00	20943.00	15253.00	10819.00	15126.00	25192.00	16298.00	9287.00	15036.00	6877.00	23389.00	14251.00	5838.00	14674.00	12529.00	11580.00	9838.00	10416.00	10899.00	5797.00
C24 H57 N18 O11	26505.00	27166.00	29689.00	29732.00	27097.00	22335.00	27995.00	29791.00	27075.00	29203.00	23690.00	26323.00	25610.00	27402.00	25926.00	22560.00	15640.00	26420.00	25733.00	27025.00	26607.00	23237.00	15368.00	29018.00	26539.00	24505.00	27730.00	22921.00	18610.00	30144.00
C15 N2 O11 S5	26920.00	27413.00	27001.00	28904.00	31867.00	34719.00	27614.00	30528.00	31294.00	27863.00	32623.00	28678.00	31884.00	31671.00	30791.00	32410.00	31588.00	31174.00	32493.00	33009.00	27987.00	29792.00	32931.00	29184.00	33383.00	30928.00	33479.00	32866.00	31017.00	31349.00
Fluconazole	20896.00	26700.00	29752.00	25099.00	17549.00	8447.00	22039.00	23560.00	19105.00	23224.00	18519.00	14187.00	12499.00	19946.00	16415.00	10661.00	5460.00	17055.00	18840.00	16541.00	13361.00	15199.00	1.00	17986.00	10638.00	15012.00	19008.00	11435.00	2439.00	24268.00
PS(O-16:0/15:0)	26253.00	21146.00	26014.00	23053.00	28440.00	26866.00	26008.00	22905.00	24640.00	22602.00	24014.00	23167.00	25648.00	28698.00	27498.00	24121.00	26678.00	23431.00	27946.00	26096.00	24866.00	24903.00	30145.00	24432.00	27756.00	27258.00	20936.00	25835.00	33316.00	21651.00
C3 H2 N3 O3 Esi-0.847	65884.00	73054.00	123307.00	72035.00	79311.00	87599.00	84740.00	109065.00	78840.00	91156.00	103634.00	39650.00	79211.00	79407.00	79995.00	77732.00	77423.00	109011.00	78129.00	105248.00	74572.00	76533.00	65288.00	72475.00	80241.00	76522.00	82796.00	78805.00	101307.00	78483.00
PS(22:1(11Z)/0:0)	18775.00	13996.00	25280.00	18968.00	12923.00	3388.00	13264.00	1.00	18842.00	19276.00	1.00	3122.00	11836.00	26150.00	8400.00	2280.00	1.00	6334.00	1.00	13033.00	9171.00	1.00	6197.00	4460.00	11608.00	15397.00	26328.00	32685.00	1.00	25153.00
Aminomuconic acid	28239.00	34316.00	35971.00	30067.00	28063.00	21616.00	31843.00	34054.00	25565.00	32042.00	27482.00	29016.00	25689.00	30579.00	28021.00	25339.00	20376.00	30686.00	30392.00	29082.00	24882.00	24925.00	14263.00	32994.00	24643.00	23566.00	28156.00	26545.00	13784.00	29912.00
5-Fluorouridine monophosphate Esi-0.8789999	15053.00	5579.00	19094.00	17700.00	24259.00	12947.00	20688.00	18619.00	11729.00	23830.00	19852.00	7557.00	18020.00	9403.00	26259.00	10788.00	7603.00	24503.00	28940.00	11745.00	1.00	9974.00	1.00	22718.00	9219.00	12177.00	29732.00	8568.00	3874.00	18809.00
Uric acid	19062.00	12993.00	8565.00	16925.00	9112.00	29570.00	8142.00	18097.00	23792.00	11614.00	5125.00	16530.00	3959.00	12057.00	5003.00	6072.00	1.00	10780.00	8208.00	4974.00	6169.00	9771.00	4296.00	14157.00	13781.00	18163.00	12998.00	6499.00	15344.00	16754.00
L-Valine	25928.00	26257.00	19583.00	23712.00	20501.00	20259.00	15220.00	26615.00	24433.00	30217.00	13416.00	10223.00	14766.00	18186.00	18036.00	9650.00	6086.00	20726.00	18553.00	13769.00	13201.00	13126.00	4570.00	26798.00	12501.00	25396.00	23488.00	7175.00	7784.00	24444.00
C46 H45 N16 O2	18637.00	18806.00	19944.00	17337.00	22041.00	24453.00	21329.00	18874.00	21059.00	15541.00	19320.00	22934.00	22203.00	21840.00	23050.00	22444.00	22625.00	20746.00	20908.00	20998.00	19098.00	22822.00	31807.00	18940.00	23968.00	21488.00	18287.00	24382.00	29093.00	17262.00
C38 H77 N3	17599.00	14830.00	22859.00	20027.00	22198.00	21945.00	19618.00	20058.00	22915.00	17921.00	21272.00	19345.00	21679.00	20481.00	21895.00	24229.00	20185.00	18784.00	22008.00	20865.00	17832.00	20930.00	24766.00	17544.00	21834.00	19938.00	20551.00	21848.00	23721.00	20246.00
Myristic Acid ethyl ester	21917.00	24547.00	29987.00	31480.00	19761.00	18575.00	31269.00	24776.00	35251.00	25834.00	13893.00	17021.00	26040.00	31913.00	14133.00	26653.00	19636.00	17514.00	24336.00	19322.00	16555.00	27352.00	17072.00	25819.00	20394.00	30013.00	28689.00	32903.00	17402.00	35301.00
9-Riburonosylhypoxanthine	18628.00	21573.00	28004.00	23929.00	15733.00	8291.00	19521.00	23306.00	17857.00	20735.00	17813.00	13982.00	10804.00	18695.00	14836.00	9800.00	6713.00	15337.00	17938.00	14974.00	13540.00	13207.00	1.00	18119.00	9982.00	13606.00	18887.00	9714.00	1.00	22336.00
PE(19:0/0:0)	6240.00	6132.00	7770.00	24877.00	5211.00	2920.00	13442.00	17881.00	17435.00	11171.00	2321.00	1.00	5667.00	9208.00	1.00	1.00	1.00	3644.00	8548.00	6310.00	2116.00	13648.00	3686.00	9242.00	6959.00	16484.00	10834.00	13447.00	6430.00	20040.00
C38 H43 N22 O3	23769.00	23497.00	25266.00	24426.00	23489.00	27323.00	25972.00	21459.00	23188.00	21991.00	23244.00	27826.00	23641.00	28576.00	26660.00	27029.00	28855.00	24386.00	25723.00	26525.00	24936.00	27762.00	31417.00	20470.00	27494.00	25888.00	23270.00	26725.00	29341.00	22951.00
LysoPE(18:1(11Z)/0:0)	9079.00	8778.00	18187.00	17746.00	4444.00	8243.00	9492.00	22891.00	14189.00	13084.00	4005.00	9708.00	9027.00	16549.00	2893.00	2603.00	1.00	7365.00	8131.00	18605.00	5911.00	6591.00	13864.00	10725.00	14287.00	17295.00	12296.00	12373.00	4011.00	26818.00
Malaoxon	12692.00	12621.00	10838.00	28331.00	22160.00	11715.00	18514.00	19603.00	20349.00	14942.00	5340.00	10335.00	16628.00	12582.00	13469.00	9244.00	14076.00	14016.00	23378.00	14014.00	3383.00	11763.00	1.00	12823.00	13695.00	19024.00	26767.00	5543.00	15331.00	20698.00
4-Pyridoxic acid	12919.00	22902.00	17843.00	20074.00	26944.00	18368.00	10978.00	19242.00	20102.00	15533.00	9453.00	19618.00	15161.00	17430.00	21197.00	14550.00	10024.00	19481.00	11924.00	12744.00	29523.00	14107.00	5319.00	23368.00	24120.00	15235.00	18635.00	12646.00	8028.00	13784.00
Tropolone	9718.00	13267.00	12444.00	11245.00	8835.00	11960.00	11637.00	12199.00	14576.00	14521.00	12173.00	11432.00	12455.00	12746.00	12970.00	11160.00	11649.00	11168.00	10739.00	13508.00	9755.00	12907.00	10086.00	12045.00	9900.00	12929.00	13119.00	10864.00	11044.00	11137.00
2-Isopropyl trans-crotonic acid	21403.00	22935.00	25710.00	23773.00	21127.00	27562.00	22340.00	25727.00	23123.00	25353.00	26186.00	21169.00	27755.00	26467.00	28133.00	27932.00	25693.00	22199.00	23927.00	26184.00	20015.00	29533.00	25943.00	22550.00	29468.00	24685.00	24964.00	24042.00	26632.00	22575.00
Triazamate Esi-5.6990013	12281.00	8064.00	12978.00	2845.00	15005.00	12986.00	13480.00	12350.00	9836.00	16937.00	7150.00	2527.00	18034.00	5746.00	11712.00	28551.00	13602.00	2596.00	2652.00	9822.00	4661.00	16034.00	14847.00	12445.00	3413.00	3314.00	27514.00	7282.00	10504.00	1.00
C8 N2 O6 S3 Esi-0.84499985	62717.00	65267.00	68906.00	70259.00	71982.00	78266.00	70659.00	70128.00	69096.00	70541.00	70640.00	66613.00	70990.00	68087.00	70482.00	71115.00	73485.00	77755.00	73353.00	68033.00	63461.00	74203.00	76284.00	67371.00	71305.00	70632.00	75476.00	77571.00	75080.00	72037.00
PI(O-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	3566.00	3774.00	3695.00	11152.00	3261.00	2407.00	7622.00	12938.00	7089.00	2051.00	1.00	1527.00	6442.00	9188.00	1887.00	1.00	1.00	2349.00	13915.00	4493.00	1234.00	4303.00	2513.00	7214.00	2298.00	8850.00	7017.00	10894.00	3940.00	8421.00
(5,12,13-Triaza-indeno[1,2-b]anthracen-13-yl)-acetic acid ethyl ester	3054.00	11228.00	7480.00	11583.00	24057.00	9061.00	3297.00	10507.00	14858.00	5219.00	1.00	7818.00	5860.00	5593.00	12241.00	5037.00	1.00	8904.00	2998.00	2672.00	25907.00	4523.00	1.00	16047.00	10082.00	7725.00	12002.00	2230.00	1.00	3589.00
C10 H2 N2 O7	19816.00	31379.00	27651.00	15548.00	15317.00	9885.00	21471.00	28364.00	23401.00	22161.00	17866.00	20424.00	26954.00	14654.00	12602.00	12902.00	10239.00	20448.00	22859.00	25021.00	20190.00	13262.00	3551.00	20445.00	21393.00	18759.00	30163.00	14147.00	6574.00	35446.00
(6S)-dehydrovomifoliol	23953.00	23800.00	25102.00	25661.00	23958.00	25702.00	24247.00	22751.00	28137.00	26066.00	25165.00	23295.00	24606.00	26017.00	23555.00	25372.00	24727.00	24446.00	24219.00	24424.00	23810.00	23734.00	26464.00	24821.00	24749.00	25917.00	27275.00	24468.00	23517.00	26828.00
3,4,4',5-Tetrachlorobiphenyl	9588.00	16604.00	12232.00	5137.00	11131.00	8530.00	6284.00	18997.00	10683.00	9610.00	30398.00	14006.00	15030.00	13438.00	10035.00	14115.00	8701.00	14631.00	15924.00	10628.00	15354.00	14939.00	1.00	14528.00	14788.00	12878.00	15568.00	10228.00	2331.00	15236.00
1,3-Di-(9Z-octadecenoyl)-2-hydroxy-sn-glycerol-d5	20232.00	21380.00	23921.00	21259.00	20505.00	22488.00	22993.00	24684.00	24040.00	20709.00	22302.00	20560.00	22298.00	22765.00	23026.00	23028.00	24175.00	21349.00	22488.00	22353.00	21784.00	24228.00	22340.00	21123.00	24683.00	26198.00	20161.00	22090.00	26009.00	24362.00
Athamantin Esi-9.884002	57992.00	77339.00	80979.00	22356.00	113408.00	80153.00	97890.00	80311.00	39016.00	113109.00	104132.00	24048.00	113267.00	30177.00	42557.00	184291.00	99142.00	26146.00	19588.00	69322.00	37932.00	151365.00	62300.00	82736.00	26116.00	22417.00	171006.00	49840.00	104040.00	5653.00
Diuron	7156.00	15837.00	14151.00	8724.00	19232.00	12883.00	12768.00	21418.00	11834.00	12216.00	29891.00	13857.00	17664.00	10804.00	18907.00	18476.00	16524.00	15153.00	12418.00	6533.00	17291.00	16856.00	5171.00	15130.00	14011.00	13043.00	11789.00	14012.00	7562.00	4909.00
C39 H31 N28 O5	20839.00	18107.00	19143.00	20706.00	23107.00	23047.00	21006.00	20673.00	21305.00	18726.00	20578.00	21374.00	20751.00	23626.00	22936.00	24736.00	23325.00	21519.00	19678.00	20078.00	20235.00	22612.00	25937.00	17235.00	22145.00	22041.00	18878.00	21395.00	29124.00	20977.00
PE(18:0/0:0)	3646.00	3880.00	5349.00	29087.00	5439.00	1.00	12258.00	7274.00	16356.00	3588.00	1.00	1.00	4269.00	6738.00	494.00	345.00	1.00	1.00	6932.00	2149.00	1.00	5150.00	1.00	3671.00	2325.00	13221.00	5152.00	10440.00	6351.00	11775.00
C10 H2 N O5 S3	13660.00	16632.00	14344.00	12843.00	16803.00	17952.00	15549.00	23696.00	14991.00	14207.00	27243.00	17145.00	20531.00	16609.00	17786.00	19799.00	17153.00	16710.00	21400.00	15622.00	16183.00	18532.00	10924.00	19024.00	19910.00	20906.00	18282.00	17879.00	12799.00	16403.00
Mirasan	18225.00	20106.00	20408.00	18257.00	16773.00	20928.00	19696.00	20478.00	20676.00	20761.00	19252.00	16537.00	26050.00	20876.00	22277.00	20249.00	21043.00	14464.00	20765.00	21597.00	15013.00	19763.00	17217.00	19585.00	19940.00	19443.00	22738.00	19080.00	17872.00	18963.00
MG(20:0/0:0/0:0)	6169.00	5665.00	7316.00	14875.00	6867.00	4864.00	15889.00	10318.00	15121.00	7399.00	1.00	5417.00	10969.00	12594.00	5262.00	1.00	1.00	7318.00	10697.00	9891.00	3604.00	6453.00	5234.00	9369.00	6827.00	13034.00	17827.00	23825.00	5162.00	15983.00
5-Hydroxymethylsulfamethoxazole	8437.00	13456.00	11845.00	23839.00	18305.00	4343.00	9493.00	24891.00	9267.00	15187.00	6838.00	10919.00	2377.00	5847.00	6343.00	1.00	1.00	10837.00	20576.00	12312.00	11520.00	6368.00	1.00	20595.00	6909.00	7093.00	11462.00	6735.00	1.00	11124.00
CAY10526 Esi-0.84499985	50315.00	51446.00	50608.00	53076.00	54233.00	57063.00	54346.00	60798.00	55965.00	52178.00	56760.00	52033.00	59965.00	57682.00	56093.00	56305.00	56181.00	57645.00	58045.00	56416.00	47089.00	57620.00	56703.00	53131.00	59157.00	58524.00	56897.00	57656.00	57917.00	56832.00
5-Methylthio-D-ribose	4448.00	5042.00	4367.00	5632.00	5686.00	4872.00	4781.00	5240.00	4062.00	6082.00	5424.00	5939.00	5152.00	5071.00	5872.00	5180.00	4949.00	5333.00	4788.00	3908.00	4393.00	4725.00	5551.00	4708.00	6132.00	5926.00	4969.00	5561.00	4267.00	5224.00
24-fluoro-25-hydroxyvitamin D3 / 24-fluoro-25-hydroxycholecalciferol Esi-13.480001	9174.00	9324.00	11167.00	18450.00	7478.00	4519.00	17540.00	13445.00	16524.00	8906.00	2619.00	4716.00	11553.00	15870.00	4748.00	1.00	1.00	7991.00	10721.00	10136.00	4832.00	8140.00	4902.00	11281.00	8522.00	13328.00	17682.00	23980.00	4499.00	14940.00
His Ala Esi-0.8859999	428425.00	299672.00	682918.00	590311.00	609244.00	238239.00	630585.00	581260.00	301327.00	777064.00	554524.00	178337.00	467706.00	237559.00	592065.00	211405.00	121262.00	694157.00	782194.00	268528.00	99804.00	182156.00	31321.00	851737.00	169056.00	248392.00	1072508.00	173894.00	55648.00	582041.00
C44 H51 N16	28789.00	27229.00	30606.00	27118.00	28404.00	26750.00	28567.00	29088.00	29540.00	25815.00	27240.00	27255.00	29159.00	28664.00	28230.00	28249.00	27370.00	27450.00	28240.00	27007.00	26612.00	28692.00	26138.00	26131.00	30890.00	28439.00	26236.00	27395.00	31975.00	27187.00
C6 H9 N4 O3	23121.00	23377.00	16940.00	15083.00	14252.00	13544.00	8704.00	20906.00	14803.00	24858.00	10634.00	9247.00	11597.00	12487.00	12503.00	6219.00	4377.00	17230.00	14184.00	11145.00	11267.00	10517.00	4203.00	24539.00	7512.00	15828.00	17605.00	5158.00	6114.00	18960.00
PE(20:3(8Z,11Z,14Z)/0:0)	5164.00	10459.00	17166.00	22285.00	4512.00	2463.00	7205.00	24841.00	7364.00	17384.00	4893.00	3297.00	5105.00	9803.00	2287.00	1.00	1.00	11391.00	6204.00	10147.00	4085.00	6272.00	3102.00	17318.00	13638.00	10233.00	12770.00	6442.00	4679.00	21769.00
C44 H52 N4	23637.00	22585.00	23448.00	20040.00	26131.00	23232.00	28721.00	28008.00	27062.00	25970.00	24866.00	21479.00	24596.00	21603.00	27814.00	26183.00	28594.00	26202.00	26514.00	25002.00	22077.00	25532.00	26814.00	25192.00	24590.00	25103.00	26952.00	26664.00	25982.00	23454.00
C13 H Cl3 N2 O15 S	21876.00	22009.00	23080.00	21415.00	25167.00	28277.00	23886.00	26252.00	24376.00	23847.00	26140.00	26802.00	25848.00	25267.00	26840.00	26930.00	27120.00	25989.00	26318.00	26798.00	23505.00	25594.00	28119.00	23862.00	28626.00	26455.00	23470.00	26681.00	27972.00	22627.00
C32 H69 N11 S	25415.00	25473.00	26725.00	25185.00	26727.00	24145.00	23171.00	27231.00	26389.00	26817.00	25340.00	29494.00	26646.00	28674.00	25265.00	24071.00	21902.00	26660.00	23891.00	25548.00	24213.00	26355.00	22777.00	25507.00	28870.00	25084.00	24845.00	23175.00	22389.00	24716.00
C17 O16 S5	19186.00	18935.00	21020.00	20398.00	22949.00	24426.00	21522.00	23107.00	23511.00	21117.00	26118.00	22844.00	25561.00	24393.00	25146.00	26666.00	25900.00	22667.00	23043.00	25337.00	20793.00	25593.00	25891.00	21947.00	25597.00	24314.00	21893.00	24328.00	26413.00	19358.00
C9 H7 N S2	28440.00	18758.00	19558.00	31319.00	10001.00	23250.00	31354.00	22840.00	14084.00	24676.00	19435.00	10004.00	10209.00	20892.00	22798.00	14980.00	5130.00	10129.00	22004.00	23274.00	19692.00	16922.00	4113.00	14146.00	20352.00	11606.00	22283.00	16229.00	3036.00	18555.00
C32 H63 N7 O16	16695.00	14950.00	15358.00	16865.00	21122.00	22285.00	18491.00	19664.00	18715.00	16530.00	18961.00	19521.00	19783.00	20801.00	21235.00	22720.00	22494.00	20669.00	19354.00	20960.00	17271.00	21672.00	25649.00	17845.00	21776.00	20785.00	16507.00	21371.00	23724.00	16210.00
C10 H O2 S	20002.00	12472.00	15056.00	24754.00	7448.00	14517.00	26901.00	19179.00	11832.00	18812.00	14156.00	6250.00	6766.00	17107.00	12625.00	12323.00	4386.00	6691.00	15633.00	13836.00	13776.00	9856.00	2621.00	9463.00	12538.00	9605.00	17538.00	13208.00	3500.00	16429.00
L-Arginine	17938.00	16280.00	15829.00	28480.00	20058.00	11451.00	15752.00	29485.00	11651.00	15139.00	7426.00	18913.00	17834.00	18162.00	8335.00	11003.00	11128.00	11936.00	15490.00	13749.00	24705.00	22021.00	4225.00	18005.00	24140.00	10006.00	11114.00	12439.00	6126.00	11802.00
486.1086@1.104	4817.00	4237.00	13199.00	1.00	1.00	1.00	1.00	17276.00	1.00	13049.00	1.00	1.00	2312.00	9177.00	1.00	1.00	1.00	1.00	22630.00	8825.00	1.00	1.00	1.00	5965.00	1.00	1.00	6526.00	6071.00	1.00	17387.00
PS(P-16:0/18:4(6Z,9Z,12Z,15Z))	16345.00	15974.00	15824.00	16273.00	19851.00	22049.00	17874.00	17684.00	16942.00	15270.00	16165.00	18640.00	18239.00	20052.00	19972.00	21518.00	23455.00	18847.00	18604.00	19236.00	17290.00	21409.00	29296.00	15018.00	20930.00	22313.00	15375.00	22178.00	25310.00	16033.00
C35 H72 N7	16468.00	14887.00	15731.00	16757.00	17692.00	19176.00	19738.00	16899.00	17027.00	16605.00	17215.00	15764.00	17214.00	19815.00	19409.00	20969.00	18232.00	17609.00	18522.00	17479.00	17067.00	20375.00	22947.00	15352.00	19430.00	17463.00	16465.00	18581.00	20581.00	15150.00
C38 H35 N25 O8	16332.00	13236.00	16770.00	15590.00	19508.00	19879.00	16472.00	14481.00	17593.00	12909.00	15004.00	19159.00	16537.00	19121.00	19405.00	21342.00	22995.00	18625.00	15759.00	18680.00	15988.00	18890.00	27861.00	15042.00	18156.00	18467.00	15558.00	19400.00	24290.00	13323.00
Succinylsulfathiazole	24258.00	10881.00	13867.00	4169.00	10456.00	7746.00	1.00	1.00	9661.00	13018.00	17058.00	6908.00	15230.00	2916.00	3937.00	3598.00	1.00	16700.00	6717.00	2648.00	13441.00	14109.00	8352.00	17074.00	3360.00	3575.00	7768.00	13703.00	1.00	10288.00
Galabiosylceramide (d18:1/12:0)	44965.00	48074.00	102656.00	78025.00	32580.00	1.00	41586.00	1.00	52531.00	76430.00	1.00	22685.00	53846.00	79549.00	8728.00	1.00	1.00	22585.00	1.00	41536.00	12235.00	1.00	6048.00	2700.00	25788.00	39850.00	75870.00	88550.00	1.00	65674.00
Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate	17765.00	16144.00	15236.00	15113.00	16159.00	11613.00	20843.00	16903.00	11777.00	21721.00	13414.00	10301.00	12924.00	21353.00	16768.00	11853.00	16109.00	9504.00	13398.00	15030.00	9818.00	14018.00	11212.00	17106.00	15636.00	11183.00	17438.00	12526.00	12906.00	16342.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate Esi-10.549003	57359.00	94615.00	75219.00	63886.00	127397.00	81693.00	108564.00	85381.00	59558.00	101718.00	99676.00	62241.00	63873.00	68876.00	67514.00	70376.00	61826.00	65188.00	47156.00	76543.00	43071.00	88681.00	42914.00	99076.00	67880.00	42607.00	99742.00	52609.00	62233.00	34940.00
2-Oxo-3-hydroxy-4-phosphobutanoate Esi-0.7560001	261411.00	62619.00	277356.00	284526.00	288426.00	322861.00	279979.00	319530.00	317070.00	295156.00	84948.00	266265.00	63554.00	43972.00	309097.00	318887.00	83487.00	88585.00	302484.00	89027.00	73467.00	312705.00	307865.00	82109.00	86502.00	86965.00	78868.00	91655.00	307816.00	288261.00
C12 H2 Cl2 N2 O6 S5	28316.00	25892.00	27754.00	28515.00	34329.00	31934.00	32017.00	29777.00	31058.00	26916.00	31818.00	31158.00	34841.00	30705.00	34230.00	35267.00	35940.00	30660.00	28038.00	32554.00	29981.00	31275.00	34491.00	25394.00	34121.00	32591.00	28585.00	32622.00	34310.00	28437.00
C36 H37 N27 O4	15859.00	17115.00	19754.00	17627.00	22513.00	21194.00	17984.00	17818.00	20450.00	15807.00	18617.00	19897.00	17429.00	20518.00	22120.00	22126.00	22697.00	20967.00	17370.00	19897.00	18759.00	21320.00	27536.00	19126.00	20844.00	20753.00	16564.00	19675.00	24968.00	17019.00
Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate Esi-10.134002	17765.00	16144.00	15236.00	15113.00	16159.00	11613.00	20843.00	16903.00	11777.00	21721.00	13414.00	10301.00	12924.00	21353.00	16768.00	11853.00	16109.00	9504.00	13398.00	15030.00	9818.00	14018.00	11212.00	17106.00	15636.00	11183.00	17438.00	12526.00	12906.00	16342.00
C7 H3 Cl3 O5 S2	8957.00	10616.00	10604.00	11640.00	11115.00	11634.00	12014.00	10886.00	12494.00	9962.00	10429.00	11344.00	11840.00	10654.00	13004.00	11811.00	11100.00	11613.00	10467.00	12040.00	10745.00	10685.00	10645.00	10480.00	11632.00	10871.00	10908.00	9902.00	10363.00	10869.00
Fentin acetate	10483.00	15709.00	17106.00	18000.00	15310.00	1.00	19121.00	19864.00	9708.00	22747.00	12969.00	11520.00	14401.00	13783.00	13286.00	8873.00	8792.00	16104.00	23745.00	13526.00	7378.00	5106.00	1.00	18657.00	10120.00	9564.00	17682.00	7611.00	1.00	21250.00
Triamcinolone	23522.00	23996.00	29311.00	26844.00	18092.00	24036.00	24821.00	26072.00	26626.00	22755.00	25814.00	22061.00	25059.00	25554.00	24255.00	19992.00	35404.00	25083.00	25379.00	24666.00	22972.00	23275.00	25737.00	27137.00	25702.00	28846.00	24039.00	23944.00	24967.00	28137.00
C11 H Cl3 O12 S4	18742.00	20896.00	23194.00	21116.00	21601.00	23212.00	22443.00	23638.00	22407.00	23617.00	21589.00	22708.00	23613.00	21272.00	21900.00	22505.00	23036.00	22784.00	23996.00	21522.00	20384.00	23308.00	16629.00	22513.00	21619.00	23272.00	23375.00	22622.00	22875.00	23861.00
C16 H Cl N O8 S5	19180.00	19981.00	19721.00	21853.00	19767.00	22625.00	24126.00	20830.00	23204.00	21533.00	22418.00	20903.00	21600.00	24178.00	21940.00	23824.00	24355.00	22212.00	22017.00	22049.00	20723.00	22259.00	22993.00	20326.00	23188.00	24015.00	21306.00	20919.00	24510.00	22844.00
C28 H47 N29 O	21979.00	20588.00	21168.00	20891.00	25290.00	25054.00	23365.00	26494.00	24329.00	22422.00	21980.00	22947.00	22491.00	25081.00	24971.00	22884.00	24259.00	23935.00	22816.00	23574.00	21712.00	24906.00	24556.00	20916.00	24882.00	24565.00	20876.00	23792.00	23961.00	23198.00
Samandarine	24519.00	26208.00	24558.00	20815.00	24060.00	25307.00	31954.00	32210.00	34739.00	33491.00	24261.00	25001.00	24130.00	24402.00	26821.00	25882.00	30463.00	34453.00	27839.00	29559.00	24246.00	23930.00	24232.00	25606.00	24912.00	24746.00	27970.00	31894.00	22975.00	23474.00
Dehydrojuvabione	13887.00	15482.00	22287.00	8163.00	6610.00	5375.00	9250.00	5207.00	15797.00	19979.00	6086.00	6899.00	15536.00	14522.00	6609.00	10351.00	7250.00	10861.00	6785.00	6629.00	7260.00	5394.00	11848.00	6873.00	9633.00	8423.00	23403.00	17255.00	6462.00	16265.00
3-Oxo-OPC6-CoA	15846.00	16274.00	16707.00	16730.00	18135.00	19763.00	17677.00	17596.00	16943.00	15337.00	15024.00	20230.00	18960.00	18446.00	18064.00	20529.00	21947.00	17549.00	18974.00	19640.00	15791.00	18583.00	22561.00	13780.00	18725.00	18191.00	15815.00	19534.00	20939.00	16725.00
C39 H35 N27 O2	17569.00	16306.00	17838.00	17539.00	20903.00	22678.00	18519.00	14779.00	17884.00	15388.00	16824.00	21539.00	18082.00	21479.00	19519.00	20017.00	21716.00	18944.00	19481.00	18450.00	17929.00	21345.00	28205.00	17850.00	21303.00	21086.00	15093.00	20525.00	24126.00	16911.00
C24 H46 N22 O7	12263.00	10024.00	13963.00	12834.00	8262.00	2157.00	14703.00	1.00	14366.00	13809.00	1.00	5812.00	12680.00	19815.00	8152.00	3897.00	1.00	8328.00	1.00	11080.00	6090.00	1.00	7616.00	4882.00	7296.00	10931.00	18611.00	26296.00	1.00	18221.00
2,4,6-trimethyl-3,5-dinitrobenzonitrile	14755.00	22715.00	14132.00	18922.00	12821.00	6700.00	12462.00	12719.00	8256.00	10022.00	15521.00	17401.00	7131.00	22271.00	4427.00	2385.00	3983.00	16171.00	1.00	4803.00	9867.00	11042.00	3108.00	15145.00	7046.00	19446.00	13044.00	1.00	2737.00	15723.00
C39 H75 N O2	22692.00	20489.00	22206.00	22109.00	22000.00	23558.00	18465.00	23143.00	21650.00	19893.00	21849.00	23756.00	22189.00	23301.00	24166.00	24362.00	24019.00	24333.00	23651.00	23715.00	20214.00	23422.00	24540.00	21633.00	22568.00	23562.00	23244.00	23171.00	24272.00	20816.00
Fludrocortisone acetate	25905.00	26292.00	30528.00	29059.00	27836.00	25843.00	29704.00	26953.00	28868.00	26905.00	24734.00	23930.00	28409.00	29065.00	29215.00	24370.00	27197.00	31869.00	24290.00	28357.00	23978.00	23941.00	25258.00	25679.00	28308.00	29986.00	29347.00	30229.00	25402.00	29142.00
Cer(d18:1/24:0)	14440.00	13437.00	15182.00	15314.00	17760.00	18640.00	18624.00	17148.00	18452.00	15311.00	18294.00	16840.00	16563.00	18400.00	18183.00	20092.00	20020.00	17632.00	18824.00	16288.00	15193.00	17828.00	20136.00	15819.00	19516.00	18067.00	15557.00	20219.00	20920.00	16232.00
2-amino-4-cyano-butanoic acid Esi-0.9559999	24941.00	12669.00	21411.00	9288.00	12707.00	9289.00	33046.00	24124.00	13117.00	54150.00	13340.00	37603.00	33778.00	5074.00	3867.00	5430.00	16477.00	22661.00	32362.00	9002.00	23098.00	4046.00	2262.00	36523.00	19316.00	11000.00	35219.00	4204.00	3421.00	38464.00
CerP(d18:1/20:0)	13965.00	16286.00	16264.00	18039.00	21573.00	20690.00	20119.00	16212.00	16168.00	15474.00	19060.00	20349.00	18047.00	17909.00	20346.00	20423.00	22035.00	19053.00	15948.00	19770.00	15816.00	16958.00	27062.00	16572.00	20907.00	16773.00	14727.00	21120.00	24653.00	13910.00
Isobutylglycine	9638.00	16680.00	13180.00	17097.00	22677.00	13699.00	8582.00	13694.00	16614.00	12081.00	6415.00	14912.00	11403.00	12831.00	16836.00	12612.00	7273.00	15270.00	9855.00	10798.00	23358.00	10092.00	1.00	17721.00	19518.00	11359.00	13989.00	9742.00	4084.00	8827.00
C13 H2 Cl2 O14 S5	18644.00	19164.00	19222.00	18403.00	20334.00	23237.00	21176.00	20052.00	20529.00	17871.00	22209.00	20342.00	21972.00	20369.00	22721.00	21087.00	23158.00	21154.00	21640.00	21164.00	19219.00	20752.00	22719.00	19544.00	22927.00	21059.00	19155.00	21212.00	22362.00	19136.00
3-(Pyrazol-1-yl)-L-alanine	40150.00	40694.00	33399.00	44624.00	19996.00	24037.00	32561.00	39834.00	35306.00	37646.00	17348.00	18739.00	28361.00	38557.00	29131.00	10990.00	8216.00	24701.00	22435.00	22377.00	24217.00	22320.00	3834.00	47586.00	24540.00	36210.00	38978.00	16380.00	17528.00	36520.00
Urocanic acid	27178.00	22784.00	23571.00	19764.00	35458.00	29728.00	20006.00	26528.00	27379.00	22869.00	17660.00	20255.00	19057.00	25840.00	26300.00	19032.00	24061.00	24598.00	21137.00	26386.00	24689.00	32546.00	22576.00	21710.00	24051.00	24494.00	21374.00	20846.00	37737.00	31404.00
C35 H41 N26 O2	20434.00	19155.00	20724.00	20490.00	21353.00	22333.00	23022.00	18229.00	20074.00	16175.00	20245.00	21782.00	22202.00	21485.00	23428.00	22363.00	20946.00	21972.00	19295.00	19729.00	23964.00	23696.00	23867.00	19737.00	23530.00	22127.00	19009.00	20351.00	23700.00	19126.00
C11 H11 Cl3 N2 O S5	26972.00	27279.00	28920.00	28279.00	31155.00	31761.00	28894.00	31406.00	29543.00	28587.00	33878.00	29385.00	31050.00	31444.00	32209.00	33811.00	33819.00	32074.00	32470.00	31139.00	29384.00	33107.00	33018.00	28943.00	32884.00	32491.00	30315.00	33346.00	33365.00	28351.00
C36 H59 Cl2 N12 O4 S	15655.00	16918.00	17880.00	15987.00	19412.00	19829.00	18836.00	17722.00	17287.00	17125.00	16322.00	19332.00	15529.00	19463.00	18994.00	17498.00	18319.00	17822.00	17840.00	17014.00	16757.00	17177.00	22572.00	16471.00	18188.00	16843.00	16254.00	17161.00	20553.00	16558.00
C11 H4 Cl2 N2 O10 S5	18945.00	21843.00	21748.00	18462.00	21650.00	21965.00	22035.00	22737.00	22197.00	19932.00	23434.00	21536.00	22049.00	21191.00	23237.00	21899.00	24625.00	21183.00	22251.00	21839.00	22440.00	23085.00	21857.00	20821.00	24042.00	22373.00	20729.00	21800.00	22376.00	20165.00
3-Nitrophenol	9388.00	8778.00	10603.00	9610.00	7853.00	8331.00	9084.00	8472.00	8743.00	14744.00	8334.00	7578.00	9292.00	8794.00	7251.00	9114.00	7475.00	8379.00	11992.00	11692.00	7576.00	10178.00	9598.00	7945.00	10231.00	8449.00	9102.00	11744.00	11542.00	13358.00
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-octanoate	21100.00	21933.00	21819.00	17159.00	20883.00	23180.00	22265.00	18704.00	22291.00	23390.00	21692.00	17445.00	22660.00	21675.00	19511.00	18203.00	19715.00	21825.00	16813.00	23576.00	15751.00	18546.00	21462.00	22009.00	20031.00	22661.00	18441.00	21737.00	18209.00	21313.00
C38 H73 N5 O2	16858.00	20316.00	19345.00	20067.00	23937.00	18517.00	20128.00	20226.00	21227.00	16327.00	17357.00	22256.00	18781.00	19510.00	24615.00	21086.00	22310.00	18620.00	16739.00	18926.00	20569.00	20589.00	23614.00	18444.00	21073.00	19166.00	19295.00	20693.00	22380.00	19177.00
PS(20:4(5Z,8Z,11Z,14Z)/0:0)	5656.00	5975.00	19041.00	9592.00	6768.00	1.00	4917.00	17430.00	8497.00	19538.00	4842.00	6736.00	4645.00	9037.00	1.00	2370.00	1.00	4976.00	4520.00	6299.00	5804.00	4595.00	2714.00	7503.00	7165.00	7452.00	5164.00	5696.00	3751.00	13936.00
PE(12:0/17:2(9Z,12Z))	3612.00	3109.00	6480.00	12084.00	2355.00	1.00	4528.00	1.00	5656.00	3446.00	1.00	1.00	7342.00	6810.00	1.00	2848.00	2183.00	1.00	1.00	4775.00	1.00	1.00	1.00	2675.00	4603.00	6831.00	6963.00	8876.00	1.00	5149.00
C45 H83 O	13410.00	15602.00	18147.00	17541.00	17690.00	20168.00	19216.00	16759.00	17586.00	14017.00	18747.00	19788.00	18467.00	20131.00	21233.00	21624.00	20765.00	18590.00	17951.00	18891.00	14793.00	18960.00	22460.00	14461.00	20440.00	19374.00	16767.00	18125.00	20895.00	16511.00
(+)-Serradiol	2129.00	5061.00	2358.00	20102.00	4491.00	2912.00	6383.00	17651.00	2844.00	3306.00	2732.00	1.00	1.00	5912.00	1.00	1.00	1.00	2647.00	10573.00	3480.00	1.00	6620.00	1.00	14434.00	9788.00	10310.00	8372.00	2804.00	8541.00	15081.00
C35 H69 N7 O3	15340.00	17539.00	18880.00	20216.00	16721.00	14724.00	14639.00	18442.00	14357.00	20216.00	15452.00	17116.00	18428.00	19321.00	14892.00	18130.00	10121.00	15731.00	17832.00	16434.00	16680.00	16700.00	10074.00	17909.00	17014.00	18913.00	19502.00	15204.00	9606.00	20448.00
C12 H26 N7 O7 S	18715.00	16951.00	21965.00	18096.00	20823.00	19254.00	18703.00	21125.00	15978.00	20541.00	17291.00	19098.00	14108.00	19570.00	21347.00	20834.00	17733.00	20602.00	19555.00	19790.00	18169.00	21389.00	18070.00	22176.00	22709.00	17697.00	18463.00	18181.00	20136.00	20807.00
C38 H75 Cl2 N O13	16940.00	18323.00	18875.00	18654.00	22147.00	21798.00	19679.00	20028.00	19227.00	18837.00	20239.00	19066.00	20382.00	22515.00	21483.00	21890.00	23665.00	19676.00	19595.00	19921.00	17398.00	22003.00	26870.00	19008.00	20001.00	20461.00	16580.00	20857.00	25658.00	14548.00
Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate Esi-10.548003	10110.00	16882.00	13266.00	11012.00	19464.00	12077.00	18478.00	13960.00	10720.00	18148.00	16603.00	11639.00	11465.00	12866.00	11097.00	12340.00	10325.00	11024.00	8254.00	13044.00	7470.00	14903.00	7846.00	17095.00	11885.00	7305.00	16156.00	8839.00	10929.00	6132.00
7-Hydroxydoxazosin	11458.00	19707.00	21533.00	17042.00	8089.00	2503.00	12446.00	15007.00	9340.00	15804.00	10047.00	5737.00	5567.00	10304.00	5770.00	3637.00	1.00	7790.00	9228.00	7387.00	5715.00	6008.00	1.00	10471.00	3559.00	6815.00	11708.00	3929.00	1.00	16977.00
C38 H35 N28 O2	18660.00	16824.00	16541.00	16224.00	18894.00	18301.00	17660.00	14647.00	20473.00	14271.00	15185.00	19405.00	18963.00	18364.00	20310.00	17760.00	18873.00	18112.00	16820.00	19260.00	18677.00	18261.00	23859.00	15250.00	18602.00	17662.00	15259.00	18924.00	22198.00	16394.00
Doisynoestrol Esi-9.918	42261.00	41851.00	46596.00	43528.00	40160.00	46076.00	42348.00	40029.00	58201.00	44924.00	36503.00	33042.00	45242.00	41157.00	41396.00	40178.00	56930.00	43449.00	42378.00	40441.00	38749.00	39421.00	42297.00	43952.00	44560.00	33344.00	42253.00	43092.00	41385.00	42785.00
3-Piperidinemethanol, 4-(4-fluorophenyl)-, (3S,4R)-glucuronide	4261.00	10648.00	8685.00	10181.00	19712.00	12140.00	5878.00	10861.00	11167.00	6209.00	5256.00	12268.00	8068.00	9869.00	15376.00	10838.00	5170.00	12188.00	5441.00	5395.00	20708.00	6086.00	1.00	12950.00	13241.00	10306.00	11597.00	5584.00	2481.00	4741.00
C30 H38 N26 O10	17012.00	16135.00	18184.00	12430.00	12234.00	10610.00	17073.00	13550.00	12719.00	16057.00	11815.00	8830.00	17750.00	13222.00	15853.00	16163.00	21863.00	9801.00	11593.00	11934.00	12628.00	10776.00	14391.00	11672.00	8699.00	10499.00	17601.00	12026.00	13243.00	17792.00
1-tetradecanyl-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphoethanolamine	17462.00	18506.00	19553.00	19795.00	19706.00	20783.00	19533.00	16554.00	20271.00	18284.00	18685.00	18143.00	18036.00	18888.00	19901.00	18036.00	17329.00	17534.00	15980.00	19985.00	17726.00	19345.00	19775.00	16773.00	19365.00	18948.00	16258.00	18172.00	20915.00	18030.00
Athamantin Esi-9.464997	46857.00	35744.00	46887.00	17038.00	84792.00	60164.00	74701.00	60797.00	34358.00	81141.00	56797.00	13787.00	67150.00	24037.00	38554.00	104178.00	43200.00	13654.00	11365.00	54377.00	19793.00	74235.00	46146.00	63021.00	18246.00	13743.00	109121.00	27830.00	55558.00	5919.00
C37 H76 Cl2 N3 O	16856.00	15281.00	16517.00	16781.00	18869.00	19203.00	18646.00	20374.00	17752.00	15230.00	18464.00	19572.00	18509.00	19188.00	18514.00	20151.00	18777.00	16380.00	16969.00	18917.00	18740.00	18741.00	24531.00	18099.00	19398.00	19538.00	16105.00	18833.00	22942.00	16971.00
Propofol glucuronide	7496.00	8207.00	1.00	3403.00	2091.00	20447.00	3969.00	5897.00	11943.00	5592.00	1.00	1.00	6944.00	6076.00	1.00	2526.00	1.00	1.00	2227.00	1.00	3355.00	3034.00	2392.00	3844.00	5892.00	7304.00	1.00	1.00	3801.00	1.00
L-Homotyrosine	15755.00	15149.00	18435.00	16851.00	17531.00	18379.00	19619.00	18416.00	17235.00	18457.00	16346.00	19233.00	17139.00	17865.00	17465.00	19179.00	21496.00	18233.00	16459.00	16202.00	16108.00	17837.00	17569.00	17375.00	16051.00	17798.00	15758.00	15723.00	16437.00	15096.00
Juliflorine	16299.00	17276.00	17451.00	18672.00	19139.00	16943.00	17363.00	17761.00	18806.00	15507.00	16316.00	18195.00	18096.00	18668.00	18035.00	18527.00	16566.00	16927.00	15276.00	17386.00	14803.00	17703.00	21243.00	16573.00	18610.00	16998.00	17069.00	18466.00	19904.00	15939.00
C45 H79 N2	14844.00	15511.00	17362.00	16462.00	17622.00	19201.00	17613.00	18375.00	16719.00	15647.00	15884.00	15256.00	18835.00	15014.00	17266.00	19232.00	20723.00	17227.00	17325.00	17642.00	14624.00	18072.00	20658.00	15940.00	19638.00	17989.00	17761.00	16277.00	19896.00	15158.00
L-Leucine	22708.00	38565.00	25468.00	19363.00	16769.00	22441.00	22356.00	44184.00	20111.00	30790.00	17171.00	15058.00	14542.00	25267.00	21709.00	14938.00	6750.00	28379.00	26089.00	19052.00	15922.00	19749.00	7838.00	23220.00	14478.00	30155.00	22267.00	9012.00	7925.00	29679.00
C7 H4 O8 S4	11537.00	11187.00	11853.00	11323.00	13835.00	12328.00	13274.00	13393.00	13589.00	11661.00	12544.00	13308.00	13294.00	13036.00	13583.00	14653.00	12250.00	13990.00	13658.00	13606.00	11214.00	12302.00	13349.00	11622.00	13098.00	12938.00	12305.00	12438.00	14671.00	10884.00
C46 H89 O	15897.00	18225.00	19340.00	18749.00	18605.00	21979.00	18256.00	22363.00	21675.00	17135.00	22511.00	18683.00	20756.00	19664.00	21921.00	19850.00	19693.00	19408.00	21821.00	17492.00	15170.00	18820.00	22724.00	18206.00	20752.00	21391.00	19509.00	21234.00	21414.00	18668.00
PE(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	5312.00	3844.00	3615.00	13470.00	1.00	1.00	7035.00	12517.00	2551.00	22482.00	3056.00	1.00	4735.00	2998.00	1.00	1.00	1.00	3019.00	4047.00	4731.00	1.00	1.00	1.00	9165.00	7267.00	10504.00	9413.00	3900.00	3142.00	14389.00
Volkenin	4220.00	4540.00	4926.00	20671.00	3456.00	1.00	2038.00	10433.00	3018.00	18157.00	17729.00	4381.00	6558.00	5440.00	2426.00	1.00	1.00	3309.00	4200.00	2392.00	2724.00	1.00	1.00	4002.00	2431.00	3367.00	10124.00	7508.00	1.00	6161.00
C39 H57 O28	13400.00	12926.00	14607.00	14434.00	15170.00	16721.00	16885.00	15522.00	14658.00	12727.00	14997.00	16630.00	15866.00	15773.00	17575.00	17745.00	16580.00	15942.00	15822.00	15029.00	15287.00	17268.00	18620.00	13525.00	17395.00	17677.00	13960.00	16066.00	19794.00	14350.00
PA(O-16:0/18:4(6Z,9Z,12Z,15Z))	16883.00	18588.00	19414.00	18827.00	18656.00	19265.00	20023.00	19901.00	18789.00	19316.00	18452.00	18914.00	20436.00	18771.00	21254.00	22270.00	20320.00	22924.00	21631.00	20973.00	16725.00	19897.00	19914.00	20261.00	18725.00	18936.00	21762.00	20133.00	19514.00	19685.00
Nimesulide	9138.00	4135.00	11558.00	10206.00	14570.00	7200.00	13270.00	11431.00	7941.00	14715.00	11244.00	4287.00	11516.00	6168.00	17688.00	6217.00	4653.00	13962.00	17027.00	7514.00	2079.00	4812.00	1.00	14497.00	5274.00	6596.00	20583.00	5214.00	2788.00	11313.00
6-(2-Chloroallylthio)purine	10482.00	17885.00	17723.00	12034.00	8757.00	6062.00	15175.00	15232.00	11012.00	11918.00	9805.00	11814.00	10884.00	8778.00	7916.00	7138.00	5373.00	9647.00	8647.00	9662.00	12780.00	6228.00	2320.00	9524.00	9616.00	6204.00	11376.00	6931.00	3599.00	13305.00
N-Hydroxy-L-phenylalanine	13749.00	13874.00	18733.00	13977.00	11522.00	18484.00	8974.00	20548.00	15435.00	13338.00	15297.00	8755.00	10774.00	13283.00	13891.00	7595.00	4091.00	19388.00	11372.00	7809.00	11234.00	11905.00	8504.00	18601.00	12260.00	14201.00	15686.00	6442.00	6414.00	15087.00
DEPMPO-biotin	4932.00	6401.00	5310.00	11184.00	2771.00	1.00	8612.00	13577.00	4657.00	9266.00	2924.00	1.00	4379.00	8643.00	1.00	1.00	1.00	4216.00	7570.00	7255.00	1.00	5097.00	2177.00	10477.00	8118.00	8496.00	11337.00	5634.00	3341.00	18259.00
C29 H37 N8 O13	6671.00	7616.00	6369.00	12941.00	2393.00	1.00	10626.00	16976.00	5346.00	12408.00	4168.00	1.00	4141.00	9754.00	1.00	1.00	1.00	4790.00	9811.00	9364.00	1.00	5703.00	2634.00	14338.00	9340.00	9761.00	15954.00	7379.00	3997.00	21844.00
Promacyl	16776.00	16495.00	15818.00	16052.00	16001.00	16107.00	16018.00	16761.00	18026.00	15743.00	16676.00	15767.00	20125.00	17537.00	17536.00	18488.00	16685.00	16901.00	16575.00	17138.00	15633.00	16432.00	16329.00	14757.00	16674.00	17600.00	17901.00	16406.00	15881.00	16889.00
C50 H43 N15 O2	20413.00	17833.00	20062.00	19386.00	22008.00	23036.00	19786.00	20395.00	18758.00	19336.00	17059.00	21769.00	21475.00	20991.00	20459.00	20989.00	24458.00	20455.00	20046.00	21307.00	20250.00	23439.00	24291.00	16009.00	21208.00	20283.00	19861.00	22726.00	23255.00	19449.00
C29 H55 N21	18362.00	18405.00	22533.00	19930.00	18406.00	16798.00	17146.00	21209.00	20374.00	16999.00	20767.00	18644.00	17317.00	19355.00	21532.00	18311.00	14102.00	17888.00	18506.00	20141.00	17731.00	17484.00	15495.00	21185.00	18298.00	18627.00	18917.00	17969.00	13435.00	18672.00
3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid	17386.00	17303.00	18074.00	15510.00	15230.00	16511.00	18640.00	18258.00	19308.00	18115.00	15246.00	16157.00	16250.00	17020.00	16968.00	17273.00	17717.00	17652.00	16777.00	18991.00	15272.00	17868.00	16638.00	18369.00	16576.00	16990.00	16812.00	16970.00	17639.00	18312.00
9-Fluoro-16alpha-hydroxyandrost-4-ene-3,11,17-trione	27155.00	29042.00	28278.00	28586.00	25587.00	27489.00	29071.00	29664.00	29592.00	27879.00	28656.00	26486.00	29776.00	28463.00	28951.00	28181.00	39275.00	28600.00	28031.00	28769.00	25546.00	24902.00	28190.00	27973.00	28723.00	30550.00	25607.00	30126.00	27970.00	30290.00
Bikaverin	14901.00	19088.00	18323.00	9011.00	10877.00	10810.00	14888.00	17351.00	11611.00	17357.00	10295.00	8549.00	16677.00	12956.00	14847.00	14079.00	14347.00	6164.00	11947.00	12678.00	10547.00	8652.00	13673.00	12284.00	8245.00	10346.00	19538.00	9779.00	12917.00	10951.00
Phillipsiaxanthin/ 1,1'-(OH)2-2,2'-diketo-3,4,3',4'-tetradehydrolycopene	16738.00	15809.00	17525.00	21181.00	15329.00	14395.00	20846.00	18372.00	20681.00	16129.00	8641.00	13523.00	16034.00	19603.00	16054.00	10763.00	7744.00	17759.00	18058.00	16839.00	13006.00	15142.00	14098.00	16058.00	14243.00	18480.00	17628.00	19245.00	15081.00	20574.00
C44 H51 N3 O20	13907.00	15974.00	13828.00	16735.00	19722.00	20053.00	17413.00	19911.00	18343.00	13056.00	18032.00	18885.00	18505.00	20420.00	21545.00	20534.00	20248.00	15764.00	18324.00	18408.00	15794.00	18612.00	22178.00	15482.00	20915.00	18302.00	14950.00	18106.00	20836.00	16327.00
C34 H69 N12	18809.00	18665.00	18919.00	20889.00	21920.00	22676.00	22938.00	20303.00	19833.00	19264.00	21357.00	21758.00	19360.00	20342.00	20577.00	21505.00	21940.00	19619.00	18567.00	18076.00	18792.00	21148.00	21609.00	17724.00	20418.00	19766.00	19078.00	20957.00	18879.00	17111.00
C13 H4 N O3	9939.00	8904.00	8373.00	20633.00	12876.00	8969.00	11868.00	14668.00	15875.00	10727.00	2909.00	7694.00	8729.00	8408.00	7399.00	4846.00	6368.00	8738.00	12745.00	8089.00	3517.00	6225.00	1.00	10319.00	9426.00	12435.00	13500.00	3833.00	7332.00	11940.00
C39 H73 N3 O2	11793.00	12539.00	13182.00	12702.00	14360.00	16236.00	13668.00	12506.00	12970.00	10561.00	11284.00	13245.00	12008.00	13627.00	16037.00	14615.00	15214.00	14433.00	12849.00	13734.00	12767.00	14786.00	17854.00	12012.00	11745.00	15002.00	12378.00	11825.00	17338.00	11279.00
C12 H2 O9 S	18362.00	22408.00	22953.00	17636.00	19570.00	16490.00	22856.00	24073.00	19446.00	20638.00	18076.00	19572.00	22890.00	17155.00	18203.00	18564.00	15881.00	20066.00	19844.00	21978.00	18790.00	16607.00	13419.00	18447.00	20957.00	19473.00	20605.00	17042.00	14837.00	23031.00
C19 H35 N23 O2	5129.00	12182.00	4306.00	3696.00	3648.00	2928.00	11441.00	5126.00	3649.00	2758.00	1.00	1.00	16046.00	6827.00	19486.00	3111.00	20190.00	9195.00	12237.00	7220.00	1.00	4327.00	10535.00	7387.00	2857.00	9894.00	21850.00	7163.00	3242.00	7064.00
C32 H52 Cl3 N21 O	18418.00	15755.00	17574.00	16998.00	20377.00	18774.00	20204.00	17528.00	18646.00	15113.00	17571.00	19293.00	17684.00	21136.00	19690.00	18463.00	20368.00	18172.00	17553.00	16820.00	19619.00	19184.00	24841.00	16753.00	20042.00	18615.00	14567.00	19027.00	25616.00	14025.00
486.1089@1.1779996	4458.00	4415.00	12451.00	1.00	1.00	1.00	1.00	19484.00	1.00	13394.00	1.00	1.00	2078.00	7828.00	1.00	1.00	1.00	1.00	19982.00	8043.00	1.00	1.00	1.00	6320.00	1.00	1.00	5484.00	4702.00	1.00	17330.00
C50 H57 N3 O8	21274.00	19682.00	21540.00	19211.00	20240.00	20523.00	20687.00	20784.00	21430.00	20964.00	18859.00	20434.00	19038.00	22344.00	20676.00	21572.00	19387.00	19266.00	16888.00	19734.00	20108.00	22851.00	22628.00	21620.00	19759.00	22674.00	18791.00	20531.00	24190.00	20650.00
N(alpha)-gamma-L-Glutamylhistamine	6824.00	13367.00	15660.00	20202.00	17255.00	5175.00	13513.00	11560.00	8920.00	17366.00	9864.00	2707.00	9975.00	6782.00	10682.00	2738.00	3779.00	9348.00	6172.00	3863.00	2467.00	4140.00	1.00	13389.00	3767.00	8403.00	10348.00	6293.00	1.00	16576.00
Cymather aldehyde methyl ester	15586.00	14761.00	16988.00	15597.00	12797.00	13541.00	13041.00	14696.00	18516.00	14352.00	13914.00	14146.00	14375.00	14942.00	15841.00	15967.00	13546.00	13787.00	14177.00	14927.00	14145.00	13952.00	16267.00	14160.00	15345.00	15113.00	16458.00	14251.00	14102.00	16269.00
Lipoxin C4	7210.00	11152.00	17881.00	7441.00	6191.00	1.00	6781.00	12912.00	6196.00	21483.00	9355.00	7702.00	9232.00	11088.00	5351.00	2368.00	1.00	6741.00	7200.00	8255.00	4469.00	6524.00	5214.00	9441.00	8828.00	7998.00	8091.00	8102.00	3389.00	15308.00
PS(19:1(9Z)/13:0)	13164.00	13802.00	13615.00	15760.00	18510.00	17926.00	15780.00	15147.00	15329.00	13492.00	17670.00	17718.00	15694.00	18893.00	18732.00	19287.00	19426.00	15498.00	16482.00	16692.00	16384.00	19623.00	27528.00	13616.00	17035.00	19004.00	15584.00	20279.00	23292.00	13348.00
C22 H2 Cl2 N S5	23516.00	25525.00	27190.00	25408.00	27456.00	28026.00	26683.00	28973.00	27017.00	25722.00	30606.00	26083.00	28089.00	27692.00	30231.00	28019.00	29240.00	26366.00	27924.00	26508.00	25235.00	29346.00	27247.00	27164.00	27312.00	28741.00	26175.00	29538.00	28916.00	26506.00
3'-UMP	9535.00	12662.00	12994.00	8303.00	9788.00	5774.00	13733.00	19053.00	6597.00	15339.00	7072.00	7919.00	7322.00	11744.00	10043.00	5059.00	4438.00	10212.00	18471.00	8438.00	5644.00	8781.00	1.00	11663.00	9182.00	9811.00	8968.00	5029.00	2298.00	19106.00
C15 H Cl3 O14 S5	15517.00	14329.00	15280.00	15101.00	17026.00	17730.00	17133.00	17809.00	15637.00	15438.00	17179.00	17414.00	17324.00	18134.00	19274.00	17923.00	18746.00	17189.00	16600.00	16671.00	13933.00	17056.00	18290.00	15825.00	17597.00	18410.00	16635.00	18861.00	21667.00	13908.00
PI(18:0/0:0)	5732.00	5474.00	5945.00	16787.00	3851.00	1.00	11372.00	11329.00	9628.00	6624.00	1.00	2039.00	8030.00	11780.00	1.00	1.00	1.00	3126.00	5257.00	5917.00	2005.00	6092.00	1.00	6727.00	5649.00	10973.00	7974.00	9328.00	3784.00	13485.00
C46 H65 N2 O4	18680.00	20880.00	23090.00	20236.00	22828.00	24082.00	21680.00	21722.00	20129.00	20096.00	22129.00	22086.00	19063.00	23725.00	22288.00	23129.00	21683.00	22415.00	22405.00	21005.00	21488.00	23024.00	22813.00	19036.00	23379.00	21703.00	20290.00	21780.00	24487.00	19963.00
4,6-Dihydroxysulfadiazine	10316.00	18574.00	19737.00	10600.00	10095.00	5430.00	14279.00	15320.00	12087.00	13471.00	9053.00	13265.00	13221.00	7464.00	7817.00	8140.00	6037.00	10430.00	8847.00	11566.00	14823.00	6345.00	2132.00	11349.00	9852.00	7167.00	11172.00	8063.00	3231.00	14654.00
C45 H89 N O	16080.00	13705.00	15716.00	14806.00	17114.00	20199.00	17079.00	18130.00	16433.00	14858.00	19472.00	17007.00	17600.00	19032.00	18229.00	20927.00	19500.00	16415.00	19230.00	18161.00	13507.00	19550.00	19850.00	15740.00	18404.00	18923.00	16358.00	18264.00	20642.00	17760.00
Lysine	17829.00	13838.00	15158.00	18062.00	9562.00	10472.00	10746.00	19284.00	11947.00	11932.00	9715.00	17746.00	13721.00	17469.00	9922.00	8530.00	7151.00	14443.00	12031.00	10858.00	13783.00	13908.00	3222.00	13499.00	16026.00	10704.00	10161.00	7493.00	5255.00	11590.00
PE(20:4(5Z,8Z,11Z,14Z)/21:0)	12590.00	14136.00	13607.00	19267.00	11788.00	10132.00	18193.00	15539.00	19674.00	12091.00	1.00	8863.00	16753.00	19071.00	9443.00	2192.00	1.00	12171.00	13790.00	14587.00	7988.00	14051.00	9726.00	16564.00	11388.00	19522.00	19928.00	19647.00	9140.00	18299.00
PG(P-20:0/18:0)	12632.00	13004.00	16508.00	20749.00	12053.00	10766.00	11150.00	13726.00	18507.00	15160.00	6854.00	9944.00	13307.00	14674.00	12159.00	7163.00	5579.00	14344.00	13569.00	14592.00	11491.00	11986.00	11438.00	14132.00	11009.00	15329.00	10660.00	20578.00	11539.00	14770.00
Thiometon	2658.00	2237.00	3817.00	7601.00	7409.00	3218.00	7544.00	3039.00	4551.00	13721.00	6779.00	6568.00	3543.00	4095.00	7834.00	3440.00	3272.00	3072.00	14214.00	12727.00	7397.00	4542.00	4145.00	7168.00	4474.00	6959.00	3566.00	15813.00	13794.00	13139.00
C14 H7 Cl3 N4 S5	16850.00	19975.00	18369.00	15807.00	19280.00	18950.00	21367.00	19876.00	20297.00	18454.00	18586.00	20474.00	21325.00	19569.00	19597.00	19448.00	19347.00	20435.00	18663.00	20737.00	18248.00	19279.00	17963.00	19235.00	20993.00	20454.00	19211.00	20116.00	19219.00	20216.00
C37 H77 Cl N3	13588.00	13759.00	13909.00	14799.00	13949.00	12277.00	13583.00	12241.00	13970.00	13596.00	12545.00	14302.00	11340.00	12000.00	13691.00	10731.00	12355.00	12272.00	12932.00	13013.00	13381.00	12156.00	10150.00	12996.00	15352.00	14512.00	11880.00	12989.00	13763.00	11998.00
Leukotriene B4-3-aminopropylamide	19240.00	11827.00	17852.00	21623.00	11673.00	14273.00	16423.00	14489.00	16173.00	17847.00	7852.00	10761.00	11013.00	11016.00	11589.00	10026.00	13906.00	17300.00	19536.00	19767.00	13838.00	11836.00	9698.00	12091.00	10815.00	13478.00	12702.00	15504.00	11344.00	16127.00
C23 H39 N12 O2	18194.00	17234.00	18361.00	18598.00	19004.00	17915.00	17411.00	19204.00	19658.00	19577.00	17526.00	18176.00	18006.00	18835.00	19981.00	19160.00	18424.00	18900.00	19181.00	19182.00	15555.00	17628.00	18639.00	17703.00	19046.00	19820.00	20234.00	18348.00	18679.00	18832.00
C23 H42 N7 O	7894.00	8586.00	10453.00	14342.00	8705.00	6204.00	16640.00	11076.00	17476.00	12672.00	5707.00	7289.00	11929.00	14417.00	9906.00	6912.00	5143.00	14176.00	12459.00	12604.00	4303.00	7501.00	6271.00	11190.00	8528.00	14350.00	18317.00	24255.00	5539.00	15997.00
Phe Pro Tyr	11997.00	12404.00	11335.00	13215.00	14515.00	13800.00	16437.00	14751.00	11176.00	16448.00	16117.00	11282.00	11780.00	12695.00	13400.00	12347.00	11987.00	10652.00	12390.00	13147.00	10202.00	14548.00	13661.00	15613.00	11585.00	12644.00	15168.00	11534.00	12416.00	10725.00
PA(20:1(11Z)/18:3(9Z,12Z,15Z))	15382.00	16595.00	17161.00	15098.00	16951.00	16516.00	16491.00	17654.00	15642.00	16997.00	16572.00	15340.00	17801.00	16820.00	16990.00	17566.00	18698.00	19574.00	18883.00	17556.00	14913.00	16775.00	17066.00	19214.00	18257.00	16698.00	19079.00	17211.00	19234.00	15990.00
(E)-2-Butenyl-4-methyl-threonine	1.00	1.00	1.00	1.00	1.00	3132.00	4923.00	5379.00	1.00	2363.00	1.00	4372.00	8352.00	2676.00	6340.00	18237.00	13920.00	5138.00	2673.00	16057.00	6399.00	2492.00	8801.00	3667.00	3406.00	7024.00	1.00	1.00	7113.00	2447.00
Actinorhodin	15960.00	12199.00	8456.00	16668.00	12067.00	10306.00	11804.00	9600.00	16045.00	11687.00	12733.00	13571.00	9337.00	10002.00	9990.00	11645.00	2729.00	11316.00	6715.00	6957.00	18106.00	11517.00	4598.00	10242.00	17053.00	11249.00	10746.00	4499.00	4255.00	9264.00
C44 H37 N24 O	16686.00	15013.00	17155.00	17182.00	18519.00	17411.00	16678.00	15974.00	17435.00	16050.00	14517.00	19048.00	17266.00	18471.00	18661.00	17833.00	19212.00	17406.00	15513.00	17383.00	16669.00	18335.00	19372.00	14826.00	18348.00	18162.00	15857.00	17240.00	19265.00	14285.00
MG(0:0/18:4(6Z,9Z,12Z,15Z)/0:0)	4719.00	5821.00	3435.00	10897.00	2810.00	1.00	6736.00	16278.00	5380.00	4021.00	2209.00	2091.00	3583.00	9026.00	1.00	1.00	1.00	2984.00	4818.00	3308.00	1.00	5821.00	2436.00	8170.00	7693.00	6608.00	3946.00	6177.00	1.00	8474.00
3-Hydroxypropenoate Esi-1.028	83804.00	10852.00	16566.00	8263.00	8955.00	9375.00	7186.00	17260.00	10482.00	12378.00	18989.00	6872.00	10140.00	93984.00	9400.00	5689.00	31205.00	9985.00	11568.00	4104.00	7380.00	6586.00	14113.00	18555.00	7271.00	9549.00	7849.00	5912.00	20017.00	11112.00
AG-99	13317.00	14922.00	15376.00	19075.00	17843.00	13248.00	16110.00	16452.00	15409.00	15626.00	12573.00	14555.00	15644.00	14875.00	15919.00	14933.00	14522.00	15625.00	17334.00	14495.00	12652.00	14685.00	8898.00	14328.00	15718.00	14775.00	17589.00	11789.00	13690.00	17967.00
PE(16:0/20:1(11Z))	8463.00	9186.00	9689.00	16463.00	7364.00	7041.00	9820.00	4370.00	4793.00	2006.00	1.00	5284.00	12393.00	15777.00	3497.00	573.00	1.00	2332.00	4043.00	9057.00	5354.00	9181.00	5820.00	11850.00	6651.00	14943.00	3870.00	5597.00	7448.00	15664.00
C28 H63 N18 O5 S	14510.00	13438.00	14721.00	13115.00	16129.00	16198.00	15748.00	15607.00	15086.00	13937.00	13093.00	15023.00	14641.00	16302.00	16331.00	18386.00	17903.00	16299.00	14895.00	16737.00	15618.00	16037.00	17327.00	14467.00	15734.00	14968.00	15267.00	15390.00	17593.00	14809.00
C8 H2 O9 S	10986.00	19572.00	17118.00	11278.00	9060.00	7301.00	14027.00	17352.00	15604.00	12602.00	12140.00	12533.00	18036.00	9899.00	8735.00	7738.00	6015.00	13856.00	15753.00	18056.00	14720.00	7710.00	2498.00	16004.00	14808.00	10690.00	18606.00	8433.00	3747.00	22354.00
Neoilludin A Esi-5.9389987	6602.00	10048.00	9394.00	9318.00	20450.00	13882.00	15801.00	12975.00	8871.00	18631.00	12452.00	7948.00	7068.00	7862.00	11484.00	11359.00	10069.00	8711.00	7972.00	12595.00	5768.00	11890.00	5923.00	13605.00	9453.00	7340.00	14354.00	8453.00	9796.00	6756.00
C37 H79 N8 O	12998.00	14089.00	16166.00	14204.00	14446.00	17913.00	16037.00	14166.00	16219.00	14780.00	13813.00	15450.00	14265.00	14951.00	18599.00	17076.00	17314.00	16340.00	14835.00	14700.00	12553.00	13517.00	19068.00	14900.00	17691.00	16345.00	12702.00	15236.00	18805.00	13895.00
Chlorquinaldol	13466.00	8295.00	14698.00	12698.00	7183.00	8425.00	10355.00	7621.00	18467.00	15145.00	7892.00	7828.00	5382.00	8979.00	3667.00	10646.00	3017.00	5667.00	7615.00	9195.00	14372.00	7946.00	2363.00	12283.00	13758.00	8115.00	6850.00	7887.00	2638.00	7277.00
N-tryptophanyl-35-aminobacteriohopane-32,33,34-triol	15751.00	15774.00	15116.00	16347.00	19534.00	14319.00	15298.00	14647.00	17921.00	17134.00	14457.00	14878.00	12363.00	16590.00	16148.00	17795.00	18731.00	15677.00	16399.00	14317.00	14717.00	17782.00	15512.00	14302.00	16017.00	16909.00	16506.00	16445.00	15370.00	14548.00
C42 H69 Cl2 N11 O	15703.00	13827.00	13672.00	13882.00	13874.00	16823.00	16755.00	12839.00	13332.00	12404.00	14297.00	14369.00	15727.00	15868.00	17843.00	17401.00	15964.00	15123.00	14700.00	14847.00	15088.00	16426.00	16872.00	13683.00	13588.00	14230.00	15201.00	15387.00	16945.00	12290.00
C40 H84 N4	13168.00	14011.00	15774.00	13658.00	15770.00	16274.00	15924.00	18557.00	16245.00	15672.00	18307.00	14860.00	16381.00	15803.00	15372.00	15706.00	13702.00	14598.00	16073.00	15038.00	13846.00	16084.00	14549.00	15429.00	16274.00	18033.00	17012.00	15682.00	15208.00	15980.00
1-(2-Hydroxyethyl)-2-hydroxymethyl-5-nitroimidazole Esi-3.3479998	10968.00	9632.00	9988.00	8358.00	9273.00	15769.00	8359.00	14606.00	11084.00	13476.00	8757.00	5974.00	8011.00	11413.00	9538.00	6104.00	4128.00	12271.00	11332.00	6516.00	7933.00	10531.00	5125.00	12965.00	10450.00	12811.00	12004.00	5516.00	6750.00	13018.00
C40 H75 N O4	16039.00	14691.00	15782.00	17501.00	18683.00	18576.00	18188.00	15041.00	18137.00	12301.00	15478.00	18933.00	17655.00	16149.00	18831.00	17090.00	21158.00	15028.00	13512.00	17628.00	16599.00	17001.00	20009.00	12899.00	17738.00	15740.00	15384.00	17080.00	21277.00	13812.00
Rishitin	14210.00	13507.00	14045.00	13581.00	13836.00	15646.00	14587.00	15667.00	13625.00	14963.00	15799.00	13009.00	16627.00	13695.00	16010.00	14170.00	14844.00	14343.00	15315.00	13682.00	12490.00	14173.00	14697.00	13771.00	14260.00	15616.00	15315.00	14778.00	14827.00	15200.00
Idoxuridine	7811.00	2530.00	11326.00	9153.00	14342.00	6872.00	11934.00	9938.00	6782.00	12467.00	10467.00	4255.00	9892.00	5653.00	14070.00	7301.00	5299.00	12987.00	16440.00	6338.00	1.00	5495.00	1.00	13671.00	4713.00	6997.00	16941.00	5503.00	2599.00	9189.00
2,2',4,4',5,6'-Hexabromodiphenyl ether	13159.00	14848.00	16376.00	16008.00	11992.00	9746.00	13959.00	15879.00	13830.00	14608.00	12878.00	13092.00	11310.00	14727.00	12003.00	10515.00	8786.00	13552.00	12897.00	12832.00	12527.00	12716.00	6947.00	14410.00	12066.00	10764.00	13427.00	11394.00	8793.00	15948.00
MID42045:(22E)-(24R)-1?,24-dihydroxy-26,27-cyclo-22,23-didehydrovitamin D3 / (22E)-(24R)-1?,24-dihyd	13061.00	12985.00	12009.00	13037.00	12115.00	12527.00	15215.00	12075.00	13353.00	10771.00	4993.00	9791.00	15396.00	16875.00	9656.00	6403.00	4964.00	11038.00	12456.00	13754.00	8539.00	12884.00	10924.00	16247.00	12206.00	17658.00	13836.00	14226.00	11370.00	19029.00
499.362@11.177998	3508.00	1.00	6144.00	1.00	2104.00	1.00	2088.00	12480.00	1.00	7211.00	1.00	6136.00	5848.00	7405.00	1.00	1.00	1.00	2511.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	3661.00	1.00	1.00	15390.00
amifostine	80596.00	25302.00	20939.00	11782.00	78450.00	10363.00	109877.00	15316.00	88994.00	15017.00	9274.00	104892.00	100109.00	67927.00	57788.00	13735.00	11054.00	13684.00	73598.00	88670.00	109135.00	52601.00	5073.00	12368.00	82616.00	50585.00	96262.00	16220.00	6078.00	17018.00
N-Didesethylquinagolide	17805.00	18595.00	17956.00	20515.00	17241.00	16580.00	2187.00	1.00	1.00	1.00	4227.00	11419.00	19203.00	18114.00	3304.00	3151.00	1.00	1.00	1.00	12975.00	10882.00	15638.00	17048.00	17615.00	18481.00	17943.00	1.00	1.00	14867.00	22469.00
PE(P-18:0/18:3(6Z,9Z,12Z))	13766.00	11680.00	12151.00	14549.00	15627.00	15651.00	16807.00	11436.00	13949.00	14503.00	14878.00	14483.00	13885.00	16467.00	11396.00	12856.00	15756.00	12264.00	14126.00	13203.00	12748.00	15924.00	11922.00	10548.00	16777.00	11414.00	12689.00	13392.00	15522.00	11388.00
Kaempferol 8-C-sulfate	7785.00	2865.00	10260.00	9421.00	12803.00	7437.00	13231.00	9861.00	6510.00	11950.00	8234.00	4266.00	9660.00	5468.00	14696.00	6003.00	4796.00	11942.00	15187.00	5820.00	2013.00	4689.00	1.00	12685.00	3837.00	6296.00	16357.00	3904.00	2368.00	9325.00
C18 H37 N23 O	7288.00	14751.00	8627.00	12903.00	1.00	1.00	9009.00	14095.00	4041.00	14178.00	5439.00	1.00	6945.00	10355.00	5486.00	1.00	1.00	12159.00	8650.00	10670.00	1.00	4852.00	3197.00	17545.00	9883.00	11359.00	18748.00	7319.00	2930.00	16955.00
C43 H75 N	16388.00	16358.00	17361.00	19101.00	15604.00	13632.00	18762.00	14768.00	18519.00	20552.00	14163.00	13559.00	15953.00	14905.00	15271.00	13588.00	10959.00	16261.00	15634.00	10856.00	11540.00	15844.00	11868.00	17527.00	16012.00	16983.00	16844.00	14788.00	12769.00	14166.00
11-methyl-hexadecanoic acid	7547.00	6443.00	6768.00	14334.00	5700.00	3988.00	12003.00	9011.00	10708.00	4699.00	1.00	3924.00	8874.00	12321.00	4402.00	1.00	1.00	5190.00	6148.00	7005.00	3892.00	6047.00	4852.00	8123.00	4652.00	13815.00	12549.00	13556.00	4358.00	12192.00
C7 H Cl3 N5 S5	14119.00	12687.00	10244.00	12292.00	15446.00	11290.00	11972.00	9620.00	12307.00	11490.00	12446.00	12784.00	15071.00	13395.00	14524.00	11518.00	13844.00	13374.00	11649.00	12510.00	11727.00	12995.00	13462.00	11330.00	13808.00	12313.00	13751.00	15047.00	15530.00	11402.00
C49 H59 Cl N6 O	12982.00	15124.00	16726.00	13330.00	11902.00	7553.00	12285.00	11456.00	14800.00	13510.00	1.00	10342.00	12516.00	14964.00	8492.00	1.00	8457.00	13173.00	10736.00	9982.00	12714.00	13043.00	8153.00	11524.00	13871.00	7788.00	10376.00	10572.00	7743.00	13198.00
MID42439:1?-hydroxy-23-[3-(1-hydroxy-1-methylethyl)phenyl]-22,22,23,23-tetradehydro-24,25,26,27-tetr Esi-13.108001	58361.00	53975.00	56577.00	58719.00	58183.00	59298.00	55803.00	59692.00	61361.00	57922.00	58200.00	53539.00	56914.00	56741.00	59921.00	59738.00	60846.00	62429.00	59518.00	59197.00	53172.00	59270.00	57440.00	57920.00	58575.00	59524.00	55684.00	55995.00	61102.00	50347.00
6'''-Deamino-6'''-hydroxyneomycin C	12400.00	12730.00	8315.00	1.00	13479.00	9933.00	1.00	17542.00	1.00	10224.00	9710.00	4805.00	3744.00	4826.00	9825.00	4011.00	3181.00	10745.00	5059.00	5008.00	2878.00	2232.00	10817.00	9053.00	7166.00	4833.00	7476.00	5894.00	2049.00	4424.00
C36 H69 N14	8400.00	7008.00	8952.00	10954.00	13598.00	13015.00	10578.00	11097.00	10104.00	8991.00	10012.00	10843.00	11744.00	11139.00	12996.00	11708.00	14242.00	11212.00	11896.00	12326.00	9673.00	12758.00	13970.00	9430.00	12547.00	12138.00	9663.00	11737.00	14199.00	10744.00
11Z-tetradecenoyl-CoA	14912.00	13423.00	14535.00	15426.00	14637.00	16816.00	17190.00	13496.00	14536.00	14773.00	14175.00	15834.00	15067.00	15680.00	14167.00	16871.00	15671.00	16517.00	15785.00	15892.00	16159.00	15415.00	16557.00	12761.00	14613.00	15499.00	13541.00	13497.00	15907.00	13315.00
C27 H50 N3 O4	11989.00	5104.00	11863.00	4457.00	2571.00	1.00	15497.00	12968.00	6513.00	9933.00	5180.00	1.00	12488.00	10406.00	3100.00	1.00	1.00	1.00	4136.00	2402.00	3602.00	3286.00	4730.00	10147.00	5505.00	4980.00	18758.00	12182.00	1.00	11008.00
PC(P-16:0/15:1(9Z))	10879.00	8107.00	11483.00	14200.00	13247.00	13180.00	12837.00	11612.00	12988.00	9809.00	11268.00	13612.00	10038.00	12026.00	14554.00	13308.00	11966.00	12176.00	11316.00	11099.00	9770.00	12764.00	14365.00	11902.00	13049.00	10845.00	10290.00	12490.00	13537.00	10192.00
Trypanothione	5795.00	8698.00	14486.00	5904.00	4829.00	1.00	6618.00	11525.00	5844.00	17264.00	7398.00	4890.00	7466.00	8511.00	5067.00	3016.00	1.00	5122.00	6032.00	7994.00	3694.00	4888.00	4270.00	7276.00	6911.00	7300.00	6525.00	7220.00	2803.00	12054.00
Asp Gln Tyr	10737.00	10484.00	12069.00	10399.00	12166.00	10788.00	14209.00	13177.00	10143.00	14382.00	13210.00	9388.00	10433.00	10490.00	11032.00	11377.00	11902.00	10120.00	10292.00	12901.00	9925.00	12895.00	10281.00	13606.00	10905.00	10575.00	12711.00	11097.00	10271.00	8595.00
C38 H81 N4 O S	11448.00	13234.00	13308.00	13193.00	13037.00	14459.00	14484.00	14696.00	14115.00	11184.00	14281.00	14268.00	13452.00	13490.00	14968.00	12670.00	15029.00	13637.00	16220.00	16141.00	11092.00	13504.00	16270.00	12293.00	15069.00	13781.00	14620.00	14336.00	16591.00	14157.00
482.3718@11.181	2690.00	1.00	6363.00	1.00	1.00	1.00	2203.00	11380.00	1.00	7470.00	1.00	5819.00	5457.00	6397.00	1.00	1.00	1.00	2418.00	1.00	1.00	1.00	2004.00	1.00	1.00	1.00	1.00	3841.00	1.00	1.00	14387.00
2-Methoxyestrone 3-glucuronide Esi-9.886995	17370.00	64764.00	63506.00	21299.00	87866.00	88267.00	112812.00	60833.00	18899.00	124663.00	58122.00	6014.00	25398.00	10691.00	54446.00	44884.00	84957.00	23768.00	17950.00	79168.00	35044.00	121774.00	20037.00	65253.00	23043.00	19349.00	131177.00	40695.00	60598.00	2628.00
C14 H4 N O12 S2	1.00	2498.00	2238.00	1.00	5566.00	2863.00	2065.00	6435.00	1.00	1.00	15361.00	5713.00	5884.00	2532.00	4771.00	7376.00	5553.00	2154.00	2429.00	1.00	5392.00	3450.00	1.00	4779.00	2570.00	2630.00	2158.00	2646.00	1.00	1.00
C31 H43 N3 O24	4623.00	5419.00	3914.00	11062.00	2036.00	1.00	7760.00	13386.00	4232.00	9960.00	2926.00	1.00	2891.00	8722.00	1.00	1.00	1.00	4018.00	6681.00	7436.00	1.00	3865.00	1.00	10545.00	7510.00	8879.00	12298.00	5982.00	2352.00	16242.00
Promacyl Esi-12.092995	14338.00	12293.00	14131.00	15015.00	13687.00	14617.00	15024.00	13076.00	14957.00	14532.00	13374.00	12648.00	14784.00	14242.00	14668.00	13048.00	13311.00	14331.00	14669.00	12753.00	12412.00	12429.00	13951.00	13511.00	14546.00	14100.00	15341.00	14498.00	14300.00	13753.00
9-Fluoro-16alpha-hydroxyandrost-4-ene-3,11,17-trione Esi-10.670005	17695.00	14186.00	17432.00	14562.00	16884.00	17017.00	19525.00	16629.00	18055.00	13675.00	16951.00	17289.00	19553.00	18670.00	17863.00	18179.00	21720.00	16865.00	14592.00	18758.00	14929.00	19815.00	15667.00	18114.00	18706.00	15584.00	18595.00	19628.00	17793.00	18712.00
N'-Nitrosoanabasine Esi-13.756004	10605.00	12045.00	13349.00	15799.00	11564.00	10192.00	15788.00	14270.00	13920.00	11409.00	4427.00	9906.00	15132.00	15052.00	9737.00	5227.00	4166.00	10340.00	13397.00	14318.00	8937.00	11612.00	9711.00	13009.00	10251.00	14883.00	15025.00	15434.00	9445.00	13578.00
N-Desethylquinagolide	9823.00	11054.00	11842.00	14569.00	10430.00	9835.00	7221.00	5259.00	2654.00	2146.00	4761.00	7205.00	11675.00	15562.00	6141.00	4977.00	1.00	1.00	2634.00	8674.00	6877.00	9865.00	8923.00	11255.00	12145.00	12062.00	1.00	1.00	10036.00	13885.00
2,3,6-Trichlorobiphenyl	3672.00	6353.00	7472.00	3520.00	10297.00	7363.00	5154.00	11007.00	4963.00	3863.00	15927.00	9615.00	10310.00	5886.00	9901.00	12304.00	9916.00	5886.00	6500.00	1.00	9284.00	7923.00	1.00	8709.00	7207.00	6748.00	6515.00	6003.00	2490.00	1.00
S-(Carboxymethyl)-L-cysteine	30589.00	8090.00	13536.00	5384.00	3120.00	4958.00	9067.00	4442.00	8117.00	15671.00	5256.00	3761.00	12530.00	9967.00	10883.00	11819.00	3657.00	3388.00	3263.00	5369.00	13458.00	4060.00	3573.00	3149.00	6894.00	2392.00	15602.00	7952.00	1.00	7717.00
Spinetoram	14592.00	11288.00	12750.00	15922.00	13898.00	15322.00	16153.00	12984.00	14338.00	13261.00	14296.00	13807.00	12928.00	12598.00	16174.00	16744.00	16224.00	13650.00	14096.00	15341.00	14247.00	15556.00	17873.00	12457.00	14763.00	14436.00	12146.00	13386.00	16608.00	13163.00
C11 H Cl3 O5 S5	13262.00	11901.00	13161.00	13380.00	13955.00	15329.00	14505.00	14016.00	15808.00	12315.00	13291.00	14563.00	13569.00	14225.00	15525.00	14330.00	14536.00	13810.00	14743.00	14368.00	12369.00	14191.00	15122.00	12512.00	14630.00	14977.00	13715.00	14850.00	15116.00	13294.00
Triazamate Esi-5.8990016	14479.00	12788.00	22099.00	7174.00	27892.00	19528.00	25160.00	20154.00	11120.00	30055.00	16774.00	5184.00	22649.00	8991.00	15324.00	36964.00	16552.00	4964.00	3295.00	17721.00	7534.00	23450.00	15942.00	26065.00	7153.00	5145.00	36288.00	11219.00	18278.00	1.00
3-Epihydroxymugineic acid	6703.00	10055.00	8020.00	8711.00	15566.00	8366.00	14239.00	11471.00	6771.00	12984.00	11655.00	7919.00	6474.00	6907.00	10179.00	8536.00	8359.00	7916.00	6609.00	10309.00	5988.00	10505.00	5740.00	11836.00	9420.00	7169.00	11786.00	6978.00	8002.00	4786.00
Sauroxine	12339.00	11586.00	13191.00	11496.00	10122.00	9447.00	11680.00	11029.00	10720.00	10514.00	10245.00	10523.00	10596.00	11955.00	10333.00	10379.00	12544.00	11774.00	11335.00	11199.00	9629.00	10294.00	10317.00	11533.00	11690.00	11721.00	11459.00	10651.00	10595.00	10848.00
Ornaline	10340.00	9738.00	10067.00	9734.00	10210.00	11093.00	11475.00	12271.00	11757.00	12860.00	10199.00	9564.00	14933.00	11633.00	12882.00	12697.00	9332.00	8751.00	12337.00	12879.00	8291.00	12309.00	10907.00	13236.00	13169.00	10508.00	11047.00	11161.00	11841.00	10379.00
C29 H39 N7 O18	5092.00	6173.00	5277.00	9815.00	2005.00	1.00	9557.00	15840.00	4317.00	9681.00	3553.00	1.00	3557.00	8112.00	1.00	1.00	1.00	3884.00	7303.00	6208.00	1.00	4625.00	2076.00	10935.00	8060.00	8782.00	12225.00	5863.00	2429.00	16378.00
PE(P-16:0/18:4(6Z,9Z,12Z,15Z))	17965.00	16722.00	17259.00	15657.00	14026.00	12569.00	15193.00	15336.00	18640.00	18054.00	15143.00	15178.00	14576.00	16799.00	13365.00	13899.00	11541.00	11655.00	17559.00	16024.00	12936.00	14453.00	11078.00	16566.00	15738.00	14666.00	16132.00	14702.00	10684.00	19240.00
Anatoxin a(s)	8986.00	9622.00	9685.00	9458.00	11411.00	11872.00	11477.00	9127.00	10147.00	14142.00	11426.00	10644.00	15790.00	11773.00	12393.00	15650.00	9257.00	13393.00	8773.00	13507.00	8531.00	14086.00	9802.00	8957.00	11557.00	9944.00	11694.00	13625.00	8347.00	11268.00
L-Tryptophan	8408.00	9578.00	9004.00	7899.00	8222.00	11603.00	6161.00	15084.00	7893.00	9929.00	7275.00	5100.00	6363.00	8382.00	6110.00	4550.00	1.00	10905.00	7410.00	6092.00	4532.00	8145.00	3138.00	11324.00	7034.00	11566.00	10505.00	3824.00	6267.00	12814.00
C28 H63 N15 O3	11181.00	12582.00	13148.00	13504.00	13052.00	7965.00	12099.00	14243.00	11591.00	15067.00	12114.00	11771.00	12388.00	13289.00	12813.00	9367.00	4900.00	14914.00	11587.00	10779.00	12437.00	9902.00	1.00	13480.00	12782.00	11631.00	12222.00	9867.00	4180.00	14747.00
Isobutylglycine Esi-1.2529995	9394.00	4971.00	13012.00	7140.00	11682.00	5834.00	11496.00	9279.00	8112.00	21175.00	14016.00	4400.00	11286.00	6356.00	14430.00	3996.00	4395.00	12542.00	12478.00	7948.00	3308.00	4173.00	1.00	13741.00	6449.00	5019.00	14986.00	4596.00	3164.00	13147.00
Ethambutol aldehyde	12055.00	12373.00	13304.00	13390.00	12702.00	13338.00	12883.00	12916.00	13642.00	12489.00	13708.00	10626.00	12928.00	13413.00	12894.00	12717.00	13094.00	12879.00	12449.00	13579.00	10864.00	12892.00	12660.00	12647.00	12598.00	12252.00	13358.00	13732.00	13650.00	15291.00
PS(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	13584.00	11821.00	16371.00	15262.00	15289.00	14179.00	13458.00	14261.00	16022.00	15491.00	13119.00	11670.00	12558.00	14155.00	14694.00	12780.00	10924.00	14650.00	12762.00	14309.00	12922.00	13153.00	13649.00	14661.00	13456.00	11878.00	12782.00	13423.00	10948.00	14565.00
C41 H67 N5 O4	12849.00	13585.00	17476.00	13331.00	14571.00	12003.00	14848.00	14698.00	14015.00	13971.00	14623.00	13916.00	14939.00	12930.00	13041.00	13747.00	10718.00	15355.00	15492.00	15699.00	14156.00	12682.00	9754.00	14617.00	14891.00	13250.00	12300.00	13238.00	14380.00	15957.00
Glu Ile Ala	13001.00	10356.00	12687.00	11116.00	10884.00	9545.00	11518.00	10846.00	11844.00	12151.00	10492.00	9044.00	11870.00	12907.00	12740.00	11419.00	10475.00	11117.00	10704.00	11029.00	10254.00	9525.00	10187.00	10772.00	11590.00	12213.00	12014.00	10613.00	11669.00	12870.00
Microcolin C	11016.00	9376.00	11774.00	10903.00	13202.00	12977.00	12672.00	11224.00	10438.00	10061.00	11761.00	12482.00	11900.00	11343.00	12133.00	13602.00	14544.00	11461.00	10140.00	11377.00	11592.00	12544.00	15894.00	9193.00	12403.00	11539.00	9922.00	13382.00	14809.00	9215.00
C39 H79 N7	9973.00	7287.00	11460.00	10235.00	12257.00	13877.00	10755.00	12709.00	10231.00	10398.00	11486.00	14612.00	12007.00	10466.00	12200.00	13580.00	10772.00	12036.00	11694.00	10902.00	10138.00	11454.00	12628.00	12874.00	11716.00	12820.00	10272.00	12431.00	11483.00	12255.00
Aflatoxin B1exo-8,9-epoxide-GSH	10397.00	10773.00	12594.00	8623.00	7947.00	7007.00	10493.00	9132.00	7666.00	10808.00	8078.00	4812.00	9443.00	8676.00	10320.00	10107.00	10055.00	5623.00	7748.00	7516.00	8516.00	7312.00	9692.00	6975.00	6449.00	6451.00	11077.00	7275.00	8448.00	11347.00
280.0969@0.97100025	7209.00	1.00	1.00	3010.00	1.00	14662.00	9778.00	8223.00	4944.00	2852.00	1.00	2954.00	3623.00	4037.00	5004.00	3429.00	1.00	1.00	4751.00	3154.00	1.00	4502.00	1.00	2003.00	5183.00	7518.00	4630.00	1.00	8612.00	6903.00
C32 H42 N8 O2	13444.00	13181.00	12046.00	21597.00	11514.00	9534.00	14210.00	15723.00	16828.00	11841.00	4443.00	8467.00	16174.00	15802.00	9090.00	4568.00	5764.00	23540.00	14434.00	14969.00	10334.00	13377.00	9533.00	13516.00	12886.00	15234.00	16663.00	20926.00	11704.00	14719.00
Fructoselysine 6-phosphate	9932.00	9912.00	11201.00	9662.00	11122.00	10654.00	12245.00	11143.00	7724.00	11408.00	11350.00	9126.00	8809.00	8448.00	10100.00	11667.00	10580.00	8732.00	8992.00	10214.00	8490.00	13479.00	10447.00	11913.00	10257.00	10208.00	11355.00	9180.00	9515.00	8849.00
LysoPE(0:0/16:0)	2104.00	1.00	10623.00	11042.00	2914.00	1.00	4623.00	10778.00	3933.00	9080.00	1.00	2541.00	10515.00	7129.00	2337.00	1.00	1.00	3181.00	3349.00	5501.00	1.00	2838.00	2629.00	7220.00	3611.00	4301.00	7561.00	7964.00	3076.00	12878.00
Glutathione, oxidized Esi-10.431	10950.00	10799.00	13176.00	8295.00	7909.00	6562.00	10654.00	9613.00	8533.00	11283.00	8046.00	5841.00	10510.00	9650.00	10804.00	10901.00	10378.00	5521.00	8131.00	8272.00	8614.00	6973.00	9206.00	7911.00	5814.00	6387.00	11011.00	7556.00	8579.00	12068.00
PE(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z))	12497.00	11471.00	11430.00	13644.00	13216.00	14337.00	12466.00	9885.00	14052.00	9138.00	12528.00	15507.00	12890.00	13658.00	14145.00	12984.00	13355.00	11353.00	10796.00	13046.00	10707.00	13131.00	15593.00	11530.00	12917.00	12571.00	11809.00	12694.00	13502.00	10025.00
PS(O-16:0/16:1(9Z))	9029.00	9489.00	10229.00	11359.00	11846.00	10988.00	11794.00	9193.00	10795.00	9964.00	10470.00	11046.00	10687.00	12167.00	11312.00	10921.00	12297.00	10211.00	10100.00	9427.00	10591.00	12008.00	13891.00	9551.00	10709.00	9939.00	10694.00	10486.00	12656.00	9449.00
DG(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	5236.00	5452.00	6012.00	13722.00	3680.00	2777.00	10832.00	7271.00	10192.00	4061.00	1.00	2448.00	8741.00	13809.00	1.00	1.00	1.00	3454.00	5726.00	6351.00	1.00	5007.00	2557.00	7531.00	3733.00	11957.00	10702.00	15480.00	2135.00	11096.00
C33 H41 N26 O9	13418.00	11908.00	11703.00	12255.00	14773.00	14681.00	13614.00	13057.00	13432.00	13501.00	13476.00	12398.00	13163.00	15105.00	13749.00	15031.00	14226.00	13728.00	12684.00	11873.00	12619.00	14815.00	14118.00	11588.00	14390.00	13882.00	12321.00	12623.00	15360.00	12831.00
C29 H43 N5 O28	4620.00	4757.00	3734.00	9086.00	2523.00	1.00	7365.00	11139.00	2872.00	7359.00	2166.00	1.00	3323.00	7828.00	1.00	1.00	1.00	2843.00	6960.00	6309.00	1.00	4569.00	1.00	9457.00	7453.00	7783.00	10957.00	4085.00	2086.00	15464.00
Pro Pro Lys Esi-11.513	12505.00	18208.00	68169.00	42372.00	45705.00	44739.00	34733.00	47180.00	47908.00	48712.00	11744.00	9319.00	43264.00	44193.00	50059.00	40713.00	62584.00	47460.00	29764.00	33517.00	41078.00	31362.00	46009.00	36105.00	9003.00	56342.00	51478.00	51750.00	46412.00	51357.00
C34 H75 N5 O17	13488.00	11038.00	14033.00	13390.00	15884.00	14082.00	15693.00	14105.00	12009.00	9855.00	14029.00	10986.00	11005.00	14483.00	15168.00	13299.00	14902.00	12754.00	13054.00	12530.00	11117.00	14383.00	15302.00	10435.00	14030.00	11933.00	11635.00	11623.00	12967.00	11897.00
E3040 sulfate	7064.00	13075.00	7573.00	10977.00	8116.00	4257.00	5948.00	6898.00	4140.00	5373.00	9779.00	8446.00	4570.00	13008.00	3161.00	1.00	2112.00	8600.00	2796.00	3105.00	5265.00	6215.00	1.00	10315.00	3690.00	10323.00	8470.00	1.00	1.00	8718.00
C35 H73 N12 O3	10631.00	9510.00	12404.00	12051.00	11600.00	15726.00	14480.00	16077.00	13164.00	11649.00	14548.00	14347.00	11192.00	15300.00	13909.00	11419.00	12941.00	13825.00	12795.00	13114.00	13463.00	13195.00	11606.00	10725.00	13582.00	11899.00	12014.00	11338.00	14445.00	9471.00
Sunitinib	7093.00	8356.00	7402.00	13540.00	7213.00	7865.00	3097.00	29664.00	14146.00	5402.00	5934.00	4947.00	10721.00	13947.00	30482.00	10251.00	1.00	4875.00	17463.00	5902.00	4787.00	7799.00	4998.00	12138.00	9301.00	11245.00	10527.00	16489.00	8644.00	15228.00
C46 H58 Cl N9 O4	16889.00	18267.00	14099.00	16583.00	15118.00	11393.00	17071.00	15779.00	16040.00	16902.00	14929.00	13247.00	12175.00	15542.00	14474.00	11937.00	10445.00	12111.00	16065.00	13780.00	13317.00	13015.00	9148.00	14763.00	14121.00	11631.00	15338.00	12200.00	12150.00	16754.00
Quinethazone	13269.00	13603.00	13859.00	13772.00	11204.00	9102.00	13812.00	13759.00	12215.00	12623.00	11554.00	11083.00	10425.00	13252.00	12075.00	9161.00	8107.00	11676.00	13156.00	11462.00	10447.00	12319.00	4089.00	11925.00	10204.00	12783.00	12253.00	10842.00	5882.00	13010.00
Rishitin Esi-11.458994	9232.00	10964.00	11871.00	9677.00	11851.00	8255.00	9966.00	7249.00	11189.00	10300.00	9909.00	10594.00	10227.00	8932.00	11723.00	11207.00	14564.00	12662.00	7544.00	10888.00	11194.00	7851.00	11103.00	6978.00	8958.00	8693.00	12080.00	12285.00	8104.00	11092.00
PE(O-16:0/O-16:0)	12342.00	9146.00	14071.00	14259.00	11918.00	12180.00	12180.00	10904.00	12369.00	11832.00	11010.00	11877.00	10077.00	11256.00	11382.00	10700.00	11539.00	9731.00	13212.00	9600.00	9094.00	10859.00	11770.00	13814.00	10870.00	11441.00	13253.00	11386.00	11480.00	13080.00
MGDG(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	10538.00	12011.00	11251.00	11216.00	10506.00	12464.00	14486.00	13441.00	12414.00	13393.00	12169.00	10516.00	10876.00	10760.00	13387.00	13473.00	13072.00	12900.00	12594.00	12820.00	10061.00	12778.00	12486.00	12626.00	12654.00	13119.00	13615.00	15155.00	13468.00	11292.00
Naltrindole	9489.00	9747.00	11471.00	10780.00	11702.00	10745.00	12224.00	12326.00	11417.00	11233.00	10341.00	9806.00	11057.00	11268.00	10802.00	10248.00	11003.00	11082.00	10705.00	11808.00	8950.00	9047.00	9800.00	10076.00	9366.00	11357.00	13043.00	12744.00	11414.00	9658.00
Acetylenic acids; 10,16-Heptadecadien-8-ynoic acid, 7-hydroxy, (E)-	11846.00	11712.00	12989.00	11263.00	12013.00	11080.00	11587.00	11967.00	11894.00	12512.00	11395.00	11523.00	12559.00	12709.00	12446.00	11858.00	12527.00	12260.00	13039.00	12331.00	11224.00	11632.00	11925.00	11765.00	12064.00	12504.00	11199.00	10669.00	11647.00	12247.00
MID42355:1?,25-dihydroxy-24a,24b,24c-trihomo-22-thia-20-epivitamin D3 / 1?,25-dihydroxy-24a,24b,24c-	3776.00	4983.00	5025.00	9911.00	3527.00	2715.00	10948.00	7716.00	10420.00	4751.00	1.00	2458.00	6231.00	7963.00	2590.00	1.00	1.00	4140.00	6811.00	5886.00	2633.00	4599.00	2614.00	5969.00	3806.00	7663.00	10924.00	16642.00	1.00	7079.00
289.1274@1.2679998	1.00	1.00	7532.00	3076.00	1.00	3670.00	2360.00	1.00	6810.00	3502.00	2039.00	1.00	1.00	6265.00	1.00	1.00	13676.00	1.00	2461.00	3356.00	1.00	1.00	1.00	2370.00	2191.00	5762.00	1.00	3048.00	1.00	6177.00
C15 H Cl3 O17 S2	11668.00	10686.00	11775.00	11702.00	13507.00	12603.00	12497.00	13570.00	11822.00	11481.00	13637.00	13015.00	14533.00	13342.00	12883.00	13902.00	14673.00	13168.00	13649.00	12961.00	12036.00	14101.00	14243.00	11547.00	13429.00	14720.00	12406.00	14135.00	13770.00	12931.00
C9 H2 N2 O11 S2	22534.00	25144.00	24816.00	22883.00	22672.00	24763.00	24680.00	26732.00	24416.00	24514.00	25035.00	24417.00	26178.00	24881.00	24646.00	26065.00	24345.00	23238.00	25156.00	26728.00	23661.00	23590.00	23364.00	24251.00	25195.00	25396.00	26171.00	26718.00	24347.00	27687.00
9-Fluoro-16alpha-hydroxyandrost-4-ene-3,11,17-trione Esi-10.447999	26975.00	29042.00	28680.00	12450.00	25425.00	27489.00	29600.00	29791.00	29476.00	28024.00	25821.00	26486.00	29934.00	28787.00	29019.00	28444.00	39275.00	28600.00	28142.00	28927.00	25503.00	24902.00	28313.00	28223.00	29058.00	30558.00	26723.00	30150.00	27378.00	30290.00
Di-n-propylphthalate	10962.00	11825.00	10053.00	10942.00	11405.00	12055.00	11866.00	12330.00	10869.00	10910.00	11389.00	10168.00	11533.00	11714.00	11540.00	11359.00	12111.00	11840.00	11248.00	10646.00	10880.00	12438.00	11805.00	10027.00	11196.00	11110.00	11135.00	11746.00	10615.00	10007.00
Myrtucommulone A	4879.00	2872.00	6681.00	5021.00	3611.00	1.00	4812.00	1.00	7991.00	5080.00	1.00	1.00	7282.00	7130.00	4655.00	2469.00	1.00	2269.00	1.00	3508.00	1.00	1.00	3310.00	1.00	2839.00	5538.00	9310.00	14818.00	1.00	4687.00
GalNAc?1-3[Fuc?1-2]Gal?1-3GlcNAc?-Sp	5281.00	7905.00	12620.00	5532.00	4889.00	1.00	5178.00	10482.00	4951.00	14688.00	7223.00	4968.00	6342.00	7254.00	3993.00	2952.00	1.00	4021.00	5059.00	6819.00	2619.00	4648.00	3969.00	6042.00	5685.00	5505.00	5494.00	5183.00	1.00	11481.00
6-(Isopropylthio)purine	6794.00	8731.00	7295.00	13364.00	7684.00	7950.00	13657.00	8463.00	11394.00	7141.00	6084.00	4892.00	12725.00	13979.00	5912.00	4377.00	5259.00	6793.00	6834.00	8104.00	6465.00	6578.00	5268.00	10607.00	7535.00	11494.00	10005.00	10520.00	5670.00	8157.00
PS(O-16:0/15:1(9Z))	9592.00	8707.00	8922.00	8561.00	10376.00	10837.00	10627.00	9034.00	8527.00	8045.00	10386.00	10540.00	9982.00	10631.00	10112.00	10965.00	11177.00	9831.00	10312.00	10477.00	10165.00	10527.00	13937.00	9215.00	10127.00	11381.00	9148.00	12566.00	14629.00	9024.00
Telithromycin	12624.00	14233.00	12514.00	13130.00	12804.00	17372.00	12378.00	17264.00	13773.00	13671.00	11799.00	12598.00	13429.00	14413.00	17271.00	14528.00	15253.00	15448.00	17505.00	14773.00	9511.00	17490.00	16058.00	17188.00	16378.00	17576.00	12743.00	13098.00	14239.00	11632.00
His Asn His	5078.00	7972.00	6685.00	6180.00	10216.00	7368.00	10135.00	8834.00	5542.00	11275.00	8914.00	5793.00	5814.00	6461.00	5990.00	6530.00	5820.00	5718.00	4694.00	7868.00	4077.00	7625.00	4673.00	9244.00	6463.00	5451.00	9661.00	5649.00	6388.00	4084.00
2,3-dinor Fluprostenol	9797.00	9859.00	10063.00	10927.00	9728.00	10224.00	10298.00	10615.00	10645.00	9213.00	11396.00	10779.00	10893.00	11236.00	11592.00	10147.00	10672.00	12017.00	11019.00	11529.00	9877.00	10454.00	10058.00	11796.00	11503.00	11843.00	12080.00	11063.00	10722.00	9936.00
Alloxydim Esi-10.820004	4038.00	3662.00	2287.00	3291.00	3265.00	145608.00	5282.00	6581.00	7440.00	6013.00	50182.00	1.00	7342.00	11406.00	5249.00	6070.00	88051.00	7104.00	7596.00	9910.00	14703.00	1.00	3998.00	145370.00	8266.00	126162.00	9434.00	6165.00	152778.00	14149.00
Methyl jasmonate Esi-9.075999	11016.00	12255.00	11220.00	11314.00	10714.00	9929.00	10983.00	9132.00	11903.00	11792.00	10344.00	10249.00	11156.00	10865.00	11055.00	11160.00	11354.00	9927.00	9997.00	10952.00	10181.00	11922.00	11151.00	11481.00	10870.00	10862.00	13347.00	10121.00	9373.00	13995.00
Rishitin Esi-8.737	11856.00	10228.00	11365.00	10441.00	11165.00	12172.00	9962.00	11294.00	11884.00	11824.00	11547.00	11101.00	11856.00	12623.00	12120.00	10957.00	11408.00	12175.00	10170.00	11815.00	9697.00	11217.00	11164.00	12348.00	10304.00	11431.00	10179.00	11789.00	10803.00	11518.00
615.3547@11.179	4480.00	7505.00	3041.00	5745.00	1.00	1.00	10667.00	5002.00	1.00	10837.00	6343.00	1.00	5193.00	5257.00	3870.00	1.00	1.00	5513.00	6746.00	4112.00	1.00	1.00	1.00	9452.00	4739.00	13228.00	9038.00	6572.00	2339.00	14337.00
Lys Lys Gly	6899.00	7340.00	7062.00	7034.00	6260.00	7108.00	6544.00	6855.00	8058.00	7133.00	5601.00	6309.00	9380.00	7168.00	7105.00	10249.00	7322.00	12468.00	10285.00	8661.00	5088.00	8348.00	7503.00	8012.00	6235.00	7033.00	10012.00	7970.00	9147.00	5888.00
C31 H59 N14 O9 S5	14591.00	12996.00	11929.00	12941.00	14785.00	14049.00	13036.00	13106.00	11945.00	10885.00	11967.00	15521.00	14375.00	16120.00	12844.00	15178.00	16546.00	12433.00	13611.00	15163.00	10831.00	13252.00	16883.00	12209.00	12499.00	14634.00	12911.00	12511.00	14832.00	10764.00
C13 H Cl3 N2 O8 S4	12849.00	11790.00	11438.00	11374.00	14418.00	13169.00	13136.00	13699.00	13256.00	12190.00	13326.00	12712.00	12906.00	14940.00	14491.00	14585.00	15212.00	15331.00	15408.00	13349.00	11257.00	14359.00	15636.00	12939.00	15110.00	14725.00	14474.00	13800.00	13696.00	14277.00
C41 H83 N5 O	9128.00	10398.00	9890.00	9456.00	10473.00	11489.00	10125.00	11916.00	10509.00	9330.00	11058.00	10311.00	11044.00	10671.00	11197.00	12401.00	11257.00	11161.00	12450.00	11086.00	9247.00	12873.00	11463.00	10324.00	12257.00	11491.00	10256.00	11333.00	11488.00	11080.00
4-Methylumbelliferyl heptanoate	10382.00	9705.00	9822.00	9875.00	9320.00	8642.00	9746.00	9841.00	9909.00	9471.00	8874.00	9292.00	10584.00	9978.00	10387.00	9886.00	10458.00	9273.00	10998.00	13071.00	8836.00	8327.00	8603.00	9506.00	10785.00	10970.00	10968.00	10105.00	10636.00	10996.00
Pro Pro Lys Esi-11.727998	10291.00	18184.00	1.00	21304.00	15883.00	3717.00	16826.00	14946.00	15349.00	16959.00	11744.00	9319.00	13126.00	14132.00	9860.00	23537.00	13421.00	16907.00	11775.00	11879.00	16160.00	14892.00	13482.00	15428.00	5798.00	11170.00	18218.00	20212.00	11100.00	22859.00
C39 H83 N5 O6	11159.00	7586.00	10686.00	9380.00	10762.00	12337.00	9952.00	11393.00	10260.00	10522.00	10879.00	10302.00	11909.00	11398.00	11525.00	12237.00	11174.00	11067.00	11790.00	11922.00	9114.00	12173.00	11431.00	10439.00	12312.00	12481.00	11552.00	9387.00	11646.00	11146.00
Tuliposide B	7547.00	2740.00	12998.00	9265.00	21305.00	6620.00	10972.00	9420.00	23889.00	13984.00	14634.00	20036.00	14073.00	23358.00	21855.00	6584.00	5773.00	23140.00	61045.00	21946.00	8575.00	19120.00	3166.00	21914.00	5776.00	25226.00	21709.00	6867.00	1.00	8844.00
Kaempferol 3-(6G-malonylneohesperidoside)	9994.00	9253.00	11116.00	7877.00	7766.00	6408.00	9162.00	8504.00	7452.00	8870.00	7122.00	5097.00	8510.00	8743.00	8630.00	9620.00	9174.00	5536.00	6082.00	7525.00	6841.00	6814.00	8377.00	7367.00	5629.00	6421.00	10473.00	5801.00	7702.00	9653.00
1,3-Dieicosanoyl-2-hydroxy-sn-glycerol-d5	11857.00	10481.00	10767.00	11063.00	12343.00	11974.00	13590.00	10224.00	12807.00	8759.00	9514.00	14178.00	15951.00	10093.00	13888.00	10676.00	10600.00	9915.00	11806.00	12504.00	11057.00	11908.00	7065.00	10866.00	14353.00	13713.00	13787.00	10686.00	8401.00	11622.00
C38 H77 N5 O4	11433.00	9662.00	12660.00	9208.00	13648.00	11057.00	9775.00	11407.00	11315.00	13300.00	11044.00	10360.00	9825.00	12128.00	12837.00	11787.00	11222.00	10740.00	12926.00	10722.00	7726.00	12023.00	8811.00	11781.00	9663.00	11354.00	11673.00	11207.00	8442.00	11833.00
Uplandicine	2947.00	1.00	1.00	2959.00	2306.00	7878.00	9329.00	8221.00	10003.00	11171.00	3076.00	1.00	8630.00	6499.00	7363.00	8340.00	8633.00	11359.00	9424.00	9615.00	1.00	1.00	2545.00	7544.00	5636.00	8812.00	9966.00	10983.00	8752.00	6125.00
C9 H4 N6 O9	6923.00	12180.00	12256.00	7702.00	6860.00	4305.00	9362.00	11031.00	7103.00	8884.00	6320.00	8246.00	9372.00	5977.00	4330.00	5907.00	4162.00	6626.00	11786.00	8031.00	9000.00	4708.00	1.00	8421.00	7064.00	4716.00	7987.00	5482.00	2590.00	11587.00
PE(O-16:0/20:1(11Z))	11345.00	12122.00	12953.00	11608.00	12981.00	12644.00	11611.00	12499.00	12649.00	11592.00	11436.00	11148.00	11197.00	14777.00	13545.00	14743.00	13609.00	12509.00	13770.00	11484.00	10401.00	12968.00	14635.00	10950.00	12947.00	13105.00	12679.00	12900.00	14653.00	10580.00
PS(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	13591.00	11158.00	12641.00	11428.00	12735.00	11488.00	13129.00	7688.00	10962.00	11947.00	10871.00	10978.00	10958.00	9847.00	12613.00	13034.00	10946.00	13140.00	9691.00	10620.00	11342.00	12724.00	11535.00	9647.00	9502.00	9325.00	12415.00	10400.00	11764.00	11606.00
PS(14:1(9Z)/20:4(5Z,8Z,11Z,14Z))	10969.00	14461.00	16126.00	13234.00	9186.00	10279.00	10931.00	10941.00	14011.00	14105.00	11891.00	10513.00	11840.00	11771.00	5935.00	10917.00	7168.00	9699.00	15442.00	11912.00	8335.00	12209.00	8521.00	13838.00	11836.00	10880.00	10835.00	9618.00	7303.00	13459.00
442.305@13.132999	1.00	1.00	1.00	1.00	1.00	1.00	11520.00	7602.00	9348.00	4623.00	1.00	1.00	6453.00	11598.00	1.00	1.00	1.00	2400.00	5111.00	3048.00	613.00	1.00	1.00	5871.00	2633.00	9103.00	10047.00	11229.00	1.00	7663.00
11S-hydroxy-hexadecanoic acid	9486.00	9067.00	8745.00	7221.00	7437.00	6585.00	8432.00	7106.00	8420.00	8634.00	6593.00	7437.00	9738.00	8538.00	7713.00	7164.00	5123.00	7123.00	7492.00	6908.00	5814.00	5740.00	7846.00	8696.00	7268.00	8323.00	11574.00	12006.00	6565.00	9567.00
15(R)-17-phenyl trinor PGF2? isopropyl ester	6481.00	6933.00	6804.00	10106.00	5635.00	4655.00	9193.00	7536.00	8598.00	5249.00	1.00	3915.00	8540.00	10162.00	3943.00	1.00	1.00	5709.00	6957.00	7274.00	4027.00	7162.00	4673.00	8361.00	5258.00	8897.00	9417.00	10382.00	5453.00	7560.00
C30 H59 N21 O8	15961.00	14290.00	15646.00	14592.00	14114.00	13537.00	19067.00	16085.00	14617.00	15205.00	13243.00	13574.00	13494.00	13930.00	15554.00	14542.00	13153.00	14970.00	15367.00	15609.00	11378.00	13675.00	11274.00	12737.00	15379.00	14330.00	13922.00	13884.00	12739.00	14385.00
C35 H47 N23 O3	12453.00	11234.00	12918.00	12542.00	13000.00	10397.00	13558.00	14608.00	14570.00	11560.00	10369.00	13600.00	12427.00	12076.00	10844.00	10978.00	8893.00	10594.00	12046.00	12308.00	9392.00	10520.00	8657.00	11996.00	10266.00	11838.00	11154.00	11273.00	8598.00	12583.00
C34 H74 Cl N9	10141.00	11057.00	9859.00	9376.00	11517.00	9781.00	12075.00	10185.00	10467.00	10401.00	9538.00	10705.00	11405.00	11802.00	12498.00	13008.00	10450.00	10910.00	10421.00	12625.00	10627.00	11098.00	10908.00	11539.00	10161.00	11933.00	11817.00	10189.00	11166.00	9018.00
Myristic acid	9876.00	10429.00	10693.00	10193.00	10436.00	8648.00	11733.00	9579.00	11619.00	10527.00	9100.00	9621.00	11268.00	11988.00	10846.00	8637.00	9735.00	9535.00	9082.00	11245.00	10099.00	9070.00	9871.00	11244.00	11039.00	11160.00	13080.00	11758.00	9839.00	11761.00
C10 H2 N3 O5 S2	3268.00	5896.00	6306.00	3755.00	7259.00	5875.00	6128.00	8360.00	5121.00	4672.00	5965.00	6435.00	9011.00	6461.00	6021.00	8685.00	6846.00	5102.00	6268.00	1.00	6392.00	7144.00	1.00	7649.00	6923.00	7085.00	6689.00	7052.00	2373.00	3503.00
XAV939	4562.00	4272.00	3578.00	7642.00	4348.00	4267.00	5357.00	4145.00	3691.00	7454.00	4682.00	6225.00	2141.00	2641.00	4342.00	4726.00	3458.00	3146.00	5293.00	3164.00	4598.00	6718.00	5351.00	3777.00	4933.00	5623.00	4242.00	5636.00	2873.00	4073.00
PG(13:0/0:0)	8299.00	7863.00	9341.00	9861.00	8410.00	8433.00	10313.00	11047.00	9411.00	9565.00	7336.00	7951.00	8904.00	10527.00	8192.00	6808.00	8018.00	7983.00	8595.00	8901.00	7048.00	8289.00	7672.00	10193.00	9038.00	9589.00	10714.00	10661.00	7753.00	9686.00
330.1976@6.632002	4514.00	1.00	1.00	1.00	8177.00	2661.00	2245.00	9300.00	1.00	1.00	1.00	10644.00	6470.00	3654.00	1.00	1.00	1.00	6320.00	1.00	1.00	6601.00	7016.00	1.00	1.00	4859.00	3110.00	2307.00	1.00	1.00	4468.00
507.1643@1.2630004	4462.00	11998.00	23686.00	1.00	1.00	1.00	1.00	18198.00	1.00	16211.00	1.00	1.00	7437.00	8160.00	1.00	1.00	1.00	1.00	12633.00	8564.00	1.00	1.00	1.00	11765.00	1.00	1.00	5331.00	3315.00	1.00	20415.00
2,3,3',4,4',5,5'-Heptachlorobiphenyl	4250.00	6032.00	4158.00	5737.00	6166.00	6855.00	5468.00	5427.00	5927.00	3723.00	6150.00	6198.00	7911.00	4672.00	5810.00	8082.00	6734.00	6091.00	5914.00	5715.00	6797.00	6627.00	8058.00	3888.00	5550.00	7078.00	5075.00	7028.00	5226.00	4591.00
C38 H77 N13	12026.00	6790.00	9262.00	11238.00	13145.00	10763.00	11628.00	10970.00	12685.00	10401.00	13555.00	11686.00	11980.00	9924.00	13295.00	11677.00	11591.00	10884.00	12014.00	10841.00	7894.00	11470.00	10937.00	10832.00	13273.00	12858.00	9211.00	13548.00	13128.00	11973.00
C28 H59 N9 O23	9667.00	11242.00	10326.00	11724.00	10948.00	10732.00	10794.00	8191.00	12119.00	9040.00	10458.00	10287.00	9526.00	11356.00	12081.00	11015.00	10499.00	11009.00	9299.00	10217.00	9100.00	12325.00	10996.00	11060.00	12107.00	10752.00	12072.00	10417.00	11739.00	9514.00
Tiron	8279.00	12898.00	9439.00	6695.00	5975.00	4182.00	7985.00	11598.00	8410.00	7562.00	7147.00	8046.00	10375.00	7223.00	5086.00	4782.00	4267.00	9420.00	9540.00	9475.00	7137.00	5267.00	1.00	8329.00	9549.00	7392.00	10447.00	6497.00	2850.00	13162.00
C46 H37 N21 O4	10472.00	11660.00	13197.00	12033.00	14606.00	11242.00	11564.00	13264.00	12959.00	9808.00	11960.00	12192.00	11406.00	11560.00	11789.00	11096.00	12037.00	12996.00	11681.00	9997.00	15441.00	11916.00	10233.00	11676.00	12534.00	13405.00	10752.00	10984.00	11282.00	10514.00
2-Keto-3-deoxyoctonate (KDO)	8313.00	8509.00	9234.00	7520.00	8229.00	7410.00	8740.00	6918.00	9489.00	8839.00	8506.00	7051.00	8833.00	8028.00	7918.00	7706.00	8247.00	8082.00	8423.00	7777.00	7600.00	8136.00	7580.00	7023.00	8849.00	7663.00	7921.00	8694.00	7918.00	9038.00
C43 H61 N9 O3	9201.00	8233.00	8386.00	8236.00	11406.00	9794.00	10450.00	7105.00	11135.00	9373.00	9673.00	11210.00	9164.00	10150.00	10032.00	11682.00	10156.00	8896.00	8703.00	9696.00	9683.00	9072.00	10779.00	8155.00	8676.00	9519.00	8865.00	8792.00	10196.00	9485.00
Euchrenone b3	7137.00	7267.00	8064.00	8578.00	7795.00	8963.00	9182.00	9415.00	8122.00	8144.00	9152.00	8437.00	9150.00	8810.00	9232.00	8239.00	9058.00	8379.00	8226.00	9027.00	7259.00	8288.00	9099.00	7890.00	8541.00	9310.00	8804.00	8732.00	8484.00	8361.00
C44 H93 N3 O	9359.00	8977.00	8722.00	9465.00	10267.00	11751.00	11054.00	9548.00	10220.00	9546.00	10709.00	10714.00	11518.00	10901.00	11572.00	10984.00	10306.00	10408.00	12019.00	10566.00	9214.00	10537.00	12139.00	9305.00	11239.00	10281.00	10306.00	9700.00	11189.00	10194.00
Tropolone Esi-5.121001	2328.00	5567.00	5119.00	4195.00	2822.00	20039.00	5536.00	1.00	11908.00	3147.00	11767.00	3533.00	3794.00	2667.00	3406.00	3286.00	3072.00	2754.00	2433.00	2475.00	2672.00	2326.00	2354.00	3017.00	2390.00	5456.00	3877.00	3010.00	3292.00	6480.00
8Z-heptadecenoic acid	5139.00	4686.00	9188.00	3642.00	4610.00	1.00	3459.00	1.00	4346.00	5761.00	1.00	2335.00	9352.00	4162.00	3125.00	1.00	1.00	5011.00	1.00	2642.00	2662.00	1.00	2793.00	1.00	3142.00	5106.00	10012.00	6897.00	1.00	3699.00
17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-(hydrogensuccinate) Esi-9.700998	3030.00	5830.00	3562.00	4333.00	6156.00	4345.00	7838.00	6283.00	5458.00	9642.00	5506.00	3064.00	4645.00	4572.00	4725.00	4411.00	6488.00	5436.00	6382.00	8212.00	2392.00	5880.00	4110.00	6181.00	4674.00	3818.00	7583.00	4926.00	8228.00	5394.00
(R)-(+)-2-Pyrrolidone-5-carboxylic acid Esi-0.896	12966.00	18456.00	20427.00	13875.00	7624.00	6750.00	12991.00	11217.00	14070.00	13353.00	9099.00	11523.00	9736.00	8550.00	6172.00	8746.00	3539.00	9823.00	9230.00	11333.00	18485.00	7132.00	2527.00	14477.00	12091.00	7854.00	11861.00	8509.00	2862.00	15564.00
DG(20:0/21:0/0:0)[iso2]	7585.00	7138.00	7262.00	8874.00	7085.00	6221.00	10609.00	9985.00	9392.00	9127.00	6366.00	6099.00	8252.00	9540.00	6366.00	5816.00	5792.00	8699.00	8532.00	8078.00	5196.00	7166.00	6197.00	8109.00	8043.00	9180.00	10121.00	11541.00	5652.00	8568.00
Palmitoyl glucuronide	10685.00	10118.00	11645.00	15653.00	9150.00	8035.00	12966.00	13121.00	12124.00	11462.00	4459.00	6998.00	12602.00	15398.00	9418.00	8088.00	5885.00	7673.00	10249.00	12340.00	6866.00	9537.00	8315.00	12972.00	7710.00	12606.00	13811.00	14031.00	8594.00	15777.00
Thyrotropin releasing hormone Esi-10.089997	12370.00	8998.00	8362.00	12046.00	13023.00	12218.00	8099.00	5859.00	7613.00	8165.00	11576.00	6219.00	9120.00	8984.00	8426.00	8233.00	9999.00	8401.00	7444.00	10694.00	9413.00	7971.00	10575.00	11157.00	10761.00	10330.00	10894.00	10722.00	10533.00	9436.00
C29 H64 Cl N19 O2 S4	9639.00	8366.00	10857.00	7686.00	9314.00	8682.00	8160.00	7841.00	9488.00	7874.00	9760.00	8189.00	8563.00	9416.00	10109.00	9644.00	9797.00	7163.00	7717.00	8102.00	7936.00	7252.00	10886.00	8507.00	10409.00	8945.00	8156.00	9164.00	10262.00	8402.00
Ergosine	8465.00	7992.00	10497.00	8060.00	10560.00	8411.00	8791.00	10466.00	7850.00	9570.00	8143.00	8385.00	4811.00	9003.00	9606.00	9811.00	7525.00	10408.00	8643.00	9208.00	8161.00	10182.00	7309.00	7719.00	10333.00	6886.00	8314.00	8635.00	8981.00	10146.00
Diisobutyl phthalate	8384.00	9681.00	8745.00	7761.00	8909.00	10319.00	9023.00	9051.00	8008.00	9449.00	8834.00	8473.00	8947.00	9278.00	9488.00	8977.00	8653.00	9140.00	10067.00	8916.00	8146.00	8295.00	8081.00	8739.00	9030.00	9446.00	9911.00	8854.00	8227.00	9638.00
Trp Asp Tyr	8226.00	9727.00	8986.00	8185.00	8468.00	9523.00	10290.00	10598.00	10388.00	9577.00	7828.00	8543.00	7912.00	8309.00	11141.00	9239.00	8599.00	8966.00	9939.00	9172.00	7391.00	9798.00	8906.00	8618.00	9216.00	10429.00	10405.00	9843.00	7961.00	9290.00
methyl 8-[3,5-epidioxy-2-(3-hydroperoxy-1-pentenyl)-cyclopentyl]-octanoate	7792.00	7978.00	7917.00	9009.00	8319.00	8569.00	9606.00	9458.00	9253.00	9044.00	8900.00	8042.00	7390.00	9669.00	9314.00	8430.00	8212.00	9273.00	9435.00	7991.00	8466.00	8979.00	8737.00	8239.00	8649.00	8333.00	9623.00	9891.00	9036.00	10615.00
GW 409544	7248.00	7884.00	7053.00	7658.00	7335.00	7405.00	9185.00	9412.00	8990.00	8390.00	6343.00	6102.00	7788.00	8148.00	7107.00	6838.00	6390.00	8316.00	8509.00	6837.00	6740.00	8105.00	6619.00	7556.00	7881.00	7819.00	8780.00	9430.00	6750.00	8326.00
2,6-Dichloro-para-phenylenediamine	9871.00	15830.00	15325.00	11909.00	23807.00	18920.00	19049.00	24723.00	11339.00	11870.00	33684.00	23131.00	19201.00	14167.00	19711.00	25455.00	21864.00	14151.00	16238.00	8308.00	25526.00	18033.00	8199.00	19052.00	17027.00	16663.00	14741.00	16434.00	10321.00	9154.00
DG(20:3(8Z,11Z,14Z)/18:0/0:0)	9581.00	6421.00	6870.00	7926.00	8861.00	10392.00	9215.00	9201.00	8659.00	7028.00	9468.00	10238.00	9539.00	9724.00	10561.00	11293.00	12161.00	9548.00	9263.00	8982.00	8960.00	7953.00	10826.00	6393.00	11612.00	10177.00	8226.00	10783.00	10419.00	9990.00
2-Chloro-1,4-naphthoquinone	4177.00	5257.00	5335.00	4846.00	5957.00	4321.00	4653.00	6432.00	4765.00	5725.00	7806.00	5255.00	6209.00	5827.00	5561.00	6077.00	6709.00	4452.00	7077.00	5521.00	5216.00	5548.00	3727.00	5973.00	6423.00	5616.00	4998.00	6555.00	4734.00	5277.00
C38 H77 Cl2 N4 O2 S	14659.00	12079.00	12638.00	13941.00	13003.00	12957.00	12778.00	11657.00	15259.00	12941.00	13306.00	14011.00	13416.00	14347.00	13085.00	13923.00	12362.00	15550.00	13504.00	12666.00	13802.00	13720.00	13710.00	14298.00	13492.00	13161.00	13938.00	13242.00	15712.00	12862.00
CE(19:0)	6648.00	7459.00	8869.00	8745.00	6949.00	7032.00	9989.00	9309.00	9984.00	9018.00	7849.00	6428.00	6952.00	8635.00	8962.00	7040.00	7686.00	7819.00	9601.00	9185.00	6738.00	7161.00	6558.00	7347.00	8299.00	8712.00	9272.00	9260.00	6846.00	7382.00
Thalicsessine	1.00	1.00	1.00	1.00	1.00	4418.00	6693.00	7605.00	7827.00	9000.00	3391.00	1.00	4910.00	7284.00	4806.00	5416.00	4870.00	6416.00	7873.00	4174.00	1.00	1.00	1.00	4644.00	5232.00	6628.00	7967.00	7133.00	3291.00	5950.00
C30 H61 N26 O3	7887.00	8790.00	7048.00	7984.00	10297.00	9331.00	10166.00	7631.00	10233.00	7233.00	11661.00	9528.00	9419.00	8572.00	11746.00	8912.00	9792.00	9769.00	9277.00	9099.00	7963.00	9362.00	10694.00	8033.00	7094.00	8308.00	9768.00	9898.00	9103.00	7721.00
PE(19:1(9Z)/18:3(9Z,12Z,15Z))	8355.00	9587.00	11109.00	7430.00	10653.00	12732.00	11863.00	11883.00	11937.00	8521.00	12258.00	11869.00	12855.00	12253.00	13057.00	12675.00	15175.00	7222.00	12958.00	13505.00	9412.00	13380.00	15537.00	10543.00	14947.00	12436.00	9739.00	12541.00	17036.00	11788.00
1-L-Leucyl-L-Proline	7076.00	7920.00	9381.00	6080.00	6353.00	2402.00	6406.00	7336.00	5226.00	8514.00	9107.00	9271.00	5414.00	4144.00	7782.00	5746.00	3128.00	8510.00	7080.00	9611.00	8255.00	3075.00	1.00	8578.00	5852.00	4798.00	7627.00	2802.00	1.00	5444.00
Allopurinol-1-ribonucleoside	10377.00	11918.00	12834.00	11569.00	5046.00	8147.00	16623.00	11656.00	13339.00	12600.00	4164.00	8788.00	10441.00	12675.00	6768.00	5151.00	7708.00	10275.00	4947.00	5320.00	4529.00	3755.00	7638.00	8858.00	5587.00	6019.00	14199.00	13077.00	6245.00	8701.00
C35 H43 N24 O5	5515.00	7974.00	7508.00	7115.00	6993.00	9932.00	8450.00	6331.00	5945.00	8474.00	8126.00	7171.00	8592.00	9608.00	7751.00	9219.00	9068.00	8403.00	6214.00	9357.00	10310.00	6590.00	9945.00	8421.00	7589.00	8265.00	6592.00	8100.00	9831.00	6148.00
C41 H45 N20 O3	11582.00	11350.00	12835.00	12724.00	11112.00	10384.00	10028.00	11538.00	10985.00	11847.00	9981.00	12614.00	10554.00	12672.00	12881.00	10395.00	11997.00	11229.00	9573.00	10796.00	11841.00	12707.00	11691.00	11609.00	11943.00	10225.00	10988.00	11057.00	8419.00	13541.00
C53 H43 N14 O3	9351.00	10057.00	11173.00	12229.00	9039.00	10424.00	11226.00	10733.00	11891.00	9297.00	8949.00	10206.00	9625.00	10848.00	10345.00	9547.00	9044.00	9479.00	10507.00	11910.00	10852.00	10864.00	9316.00	9098.00	9559.00	9618.00	9921.00	8203.00	10096.00	11353.00
C43 H87 N	7289.00	8687.00	8176.00	6886.00	6964.00	5381.00	7158.00	9481.00	7848.00	9342.00	8009.00	6638.00	7339.00	7328.00	6691.00	5849.00	3725.00	7912.00	7248.00	6996.00	7018.00	6766.00	2268.00	8873.00	5873.00	6411.00	8255.00	5927.00	3623.00	9577.00
Zearalenone	2143.00	2783.00	3565.00	3209.00	2741.00	5914.00	7375.00	8444.00	8442.00	8898.00	3693.00	3132.00	7802.00	6753.00	6302.00	6686.00	4294.00	7726.00	5570.00	3002.00	2837.00	2819.00	2320.00	5953.00	6367.00	8308.00	9500.00	7411.00	3641.00	6472.00
Chlorethoxyfos	10129.00	13523.00	13215.00	10586.00	10627.00	10068.00	13178.00	14028.00	11271.00	11609.00	10210.00	12894.00	12748.00	10628.00	10347.00	10245.00	8927.00	12017.00	12609.00	12572.00	12213.00	10493.00	7361.00	11570.00	12487.00	10998.00	12389.00	10565.00	9105.00	14102.00
C29 H63 N12 O18 S3	7843.00	5421.00	8632.00	7679.00	8738.00	10617.00	8020.00	7409.00	7848.00	7571.00	8265.00	8502.00	8191.00	9069.00	10695.00	9313.00	8835.00	7374.00	7131.00	8548.00	7514.00	10473.00	11610.00	6167.00	9360.00	9701.00	8321.00	9250.00	10256.00	6734.00
C21 H42 N19 O6	7694.00	7610.00	7682.00	7141.00	7830.00	7806.00	10280.00	8336.00	9040.00	9481.00	8656.00	7297.00	8013.00	8175.00	9105.00	9444.00	8646.00	9617.00	10443.00	9834.00	7903.00	8115.00	7752.00	8130.00	9302.00	8673.00	8149.00	9445.00	9008.00	8692.00
C43 H79 N3 O	8330.00	9978.00	10103.00	10311.00	12560.00	13360.00	11781.00	12012.00	11630.00	11274.00	13572.00	8830.00	8262.00	11987.00	12637.00	11142.00	11829.00	9636.00	13318.00	11540.00	11107.00	12162.00	13703.00	8294.00	11531.00	10192.00	11838.00	10786.00	12107.00	11731.00
C30 H57 N11 O23	7209.00	7987.00	9751.00	5473.00	9336.00	9067.00	8211.00	7609.00	6032.00	7549.00	7950.00	7315.00	9967.00	7154.00	9409.00	8570.00	9283.00	6191.00	9649.00	9581.00	7402.00	8435.00	12298.00	8158.00	8951.00	8958.00	7359.00	9145.00	11461.00	6770.00
C33 H73 N12 O5 S5	7123.00	6077.00	4786.00	6549.00	8404.00	7416.00	8310.00	6520.00	5689.00	6560.00	4664.00	6629.00	7012.00	7401.00	6319.00	5934.00	7484.00	5913.00	6786.00	8086.00	4618.00	5195.00	6720.00	5192.00	5854.00	6866.00	5416.00	7467.00	6736.00	6397.00
C37 H81 N12 O2	5910.00	8816.00	8408.00	6829.00	8197.00	10897.00	10082.00	7435.00	7846.00	7023.00	8552.00	7648.00	8702.00	7955.00	8553.00	8524.00	9171.00	7743.00	8948.00	8693.00	6691.00	7209.00	8950.00	8979.00	7759.00	8836.00	8626.00	8514.00	8357.00	8692.00
C44 H85 O4	5807.00	9755.00	9285.00	9332.00	8665.00	8882.00	8310.00	11068.00	7265.00	9282.00	9183.00	6100.00	7281.00	8985.00	10189.00	7305.00	8796.00	9044.00	10990.00	8818.00	9490.00	10560.00	8702.00	8454.00	9099.00	9355.00	8675.00	8122.00	9011.00	11296.00
2,5-dimethyl-2-heptadecenoic acid	4503.00	3454.00	5502.00	3708.00	2106.00	1.00	4085.00	1.00	5113.00	5127.00	1.00	2080.00	6050.00	6339.00	2376.00	1.00	1.00	2360.00	1.00	2203.00	1.00	1.00	2093.00	2461.00	2415.00	4188.00	8425.00	8187.00	1.00	5778.00
5-L-Glutamyl-taurine	6124.00	5462.00	5171.00	9214.00	8478.00	4153.00	8188.00	9535.00	7598.00	6853.00	2213.00	3494.00	6996.00	4635.00	5196.00	2420.00	3374.00	6912.00	9158.00	5469.00	1.00	4204.00	1.00	7815.00	6567.00	7343.00	9389.00	1.00	2525.00	9238.00
6-Methoxykaempferol 3,7-bis(3-acetylrhamnoside)	5384.00	5885.00	6152.00	6503.00	5714.00	6277.00	6806.00	9036.00	6380.00	7089.00	5417.00	4972.00	6715.00	7796.00	5476.00	5700.00	6832.00	7004.00	6087.00	5900.00	5114.00	6399.00	5982.00	6728.00	6606.00	8325.00	7287.00	6842.00	6401.00	7657.00
Apigenin 7-(6''-malonylneohesperidoside)	7063.00	6654.00	6973.00	6426.00	5951.00	7609.00	9033.00	8146.00	7812.00	6931.00	7421.00	6296.00	7732.00	5617.00	8032.00	8944.00	8561.00	8705.00	7680.00	7659.00	7077.00	8144.00	6632.00	8072.00	7240.00	7542.00	7303.00	7355.00	7556.00	6491.00
MID42321:1?-hydroxy-22-(3-methylphenyl)-23,24,25,26,27-pentanorvitamin D3 / 1?-hydroxy-22-(3-methylp	7302.00	7239.00	9800.00	10357.00	7595.00	6558.00	8926.00	8703.00	7772.00	8974.00	4788.00	5569.00	9467.00	9033.00	6287.00	7534.00	4796.00	5709.00	8006.00	8866.00	6471.00	8341.00	8119.00	8390.00	8175.00	9245.00	13339.00	9459.00	5374.00	11200.00
C27 H34 N20 O7	7171.00	7794.00	5159.00	8541.00	8535.00	6538.00	9935.00	8444.00	5977.00	7927.00	3306.00	5015.00	6629.00	9327.00	6479.00	1.00	1.00	4804.00	6526.00	7848.00	4801.00	7237.00	3598.00	8860.00	5990.00	7885.00	9501.00	7435.00	4976.00	6188.00
4alpha-formyl-5alpha-cholesta-8-en-3beta-ol Esi-11.264006	6442.00	6964.00	6646.00	6492.00	7683.00	6817.00	7006.00	6892.00	7967.00	6993.00	7760.00	6143.00	7667.00	7080.00	6936.00	7195.00	7006.00	8006.00	6847.00	6700.00	6611.00	6867.00	7119.00	7478.00	7110.00	6735.00	7193.00	6712.00	6962.00	6924.00
751.462@12.3150015	2560.00	2257.00	6313.00	3504.00	1.00	1.00	1.00	1.00	3063.00	3294.00	1.00	1.00	5193.00	4691.00	2193.00	3039.00	1.00	1.00	1.00	2229.00	1.00	1.00	1.00	1.00	1.00	2948.00	3186.00	5871.00	1.00	2573.00
C39 H83 N5 S	8491.00	8734.00	9633.00	10758.00	10031.00	13360.00	12036.00	11343.00	10547.00	10375.00	10897.00	7693.00	8756.00	11175.00	11232.00	9787.00	8962.00	9636.00	11622.00	10091.00	11107.00	10646.00	12377.00	8913.00	11531.00	8931.00	12583.00	8362.00	10642.00	11731.00
Tetradecyl sulfate	6755.00	6497.00	7406.00	7183.00	7235.00	5872.00	6793.00	6977.00	6947.00	7923.00	7756.00	7249.00	7564.00	7382.00	6553.00	6981.00	8636.00	7262.00	8404.00	7325.00	6291.00	6239.00	6428.00	7883.00	8127.00	8651.00	7946.00	6535.00	6052.00	7897.00
C41 H85 N5 O5	7749.00	7417.00	7950.00	6369.00	8999.00	8632.00	8427.00	8425.00	7500.00	7849.00	7959.00	8399.00	7795.00	7563.00	8369.00	9255.00	8235.00	7956.00	7340.00	7241.00	7165.00	7622.00	8509.00	7005.00	8861.00	7745.00	6904.00	8951.00	9481.00	6794.00
PE(18:2(9Z,12Z)/16:0)	7231.00	7271.00	7299.00	8166.00	9602.00	8825.00	9004.00	6352.00	9252.00	7560.00	8439.00	9459.00	8423.00	8359.00	9775.00	10578.00	9655.00	7759.00	8497.00	9429.00	8847.00	9072.00	10222.00	7857.00	7692.00	8526.00	8490.00	8193.00	10196.00	7995.00
C14 H13 N4 O12	6437.00	12405.00	7264.00	10139.00	9038.00	3916.00	7469.00	7128.00	3842.00	5501.00	7739.00	8090.00	3644.00	12023.00	3846.00	1.00	2084.00	8732.00	3717.00	2526.00	5574.00	6367.00	1.00	8886.00	3712.00	10655.00	8177.00	1.00	1.00	7914.00
C29 H20 N16 O13	7485.00	7757.00	6875.00	8023.00	7747.00	8408.00	9217.00	10134.00	9280.00	9422.00	8628.00	6678.00	7104.00	7206.00	9719.00	8859.00	10249.00	10071.00	9843.00	8584.00	6156.00	7275.00	7419.00	8536.00	7303.00	9098.00	7967.00	8220.00	8708.00	7184.00
Flexixanthin/ 4-Oxosaproxanthin	7793.00	7875.00	8486.00	8159.00	8152.00	8042.00	8715.00	8605.00	6120.00	8806.00	8500.00	7133.00	8415.00	8739.00	8543.00	9190.00	8160.00	9548.00	9178.00	9118.00	6665.00	8439.00	8102.00	8830.00	8979.00	7950.00	8578.00	9099.00	8760.00	7099.00
N-arachidonoyl L-serine	6262.00	5221.00	9350.00	7378.00	5601.00	5414.00	9420.00	5409.00	8081.00	7556.00	4295.00	4058.00	6336.00	8487.00	6143.00	3440.00	4442.00	7447.00	5655.00	6973.00	3464.00	5413.00	4483.00	7492.00	7216.00	6265.00	10021.00	9798.00	4526.00	8188.00
UDP-N-acetylmuramoyl-L-alanyl-?-D-glutamyl-L-lysine	9790.00	9710.00	9737.00	9491.00	8327.00	10204.00	8853.00	10576.00	9539.00	10367.00	9398.00	8952.00	9651.00	9541.00	9050.00	7983.00	8271.00	9224.00	8825.00	8665.00	9722.00	9614.00	8052.00	9319.00	9374.00	10137.00	9903.00	7940.00	8067.00	10634.00
C34 H59 N26	9463.00	9519.00	8063.00	6567.00	9589.00	9075.00	9779.00	8590.00	10132.00	8141.00	6581.00	6777.00	10528.00	6922.00	10160.00	10354.00	8584.00	7419.00	7432.00	9426.00	6695.00	7132.00	7746.00	6415.00	8186.00	10115.00	8597.00	8312.00	8479.00	8149.00
9-Fluoro-16alpha-hydroxyandrost-4-ene-3,11,17-trione Esi-10.449003	30796.00	34341.00	32276.00	20834.00	29714.00	32044.00	34102.00	34297.00	35712.00	31263.00	33768.00	29967.00	34029.00	33748.00	33429.00	32304.00	46772.00	34059.00	33488.00	32544.00	27418.00	27778.00	34286.00	32239.00	33569.00	34910.00	32812.00	35367.00	31355.00	34467.00
Herbacetin 8,4'-dixyloside	7315.00	6854.00	7258.00	7236.00	6887.00	7816.00	7247.00	7122.00	7531.00	8078.00	8108.00	6130.00	7952.00	7772.00	7782.00	8482.00	7757.00	7196.00	7564.00	8372.00	6158.00	6904.00	6985.00	6646.00	7221.00	6909.00	6834.00	7526.00	6843.00	9499.00
trans-2-Enoyl-OPC6-CoA	10275.00	8081.00	11859.00	9762.00	8874.00	8772.00	11186.00	10244.00	10197.00	10320.00	8521.00	10586.00	8564.00	8839.00	8371.00	7575.00	9152.00	9784.00	9989.00	9515.00	10209.00	9481.00	8630.00	8959.00	9258.00	7076.00	10441.00	8457.00	7847.00	10266.00
C16 H23 N O20 S	3512.00	6669.00	7794.00	6790.00	5937.00	1.00	2714.00	6915.00	4184.00	7518.00	6292.00	4978.00	6006.00	2866.00	5316.00	2806.00	3547.00	6947.00	9307.00	3869.00	4315.00	4761.00	1.00	6700.00	3021.00	5132.00	7019.00	3179.00	1.00	5690.00
Onitin	6775.00	8174.00	6988.00	7507.00	8410.00	7681.00	7509.00	6896.00	8094.00	8674.00	8243.00	7490.00	7611.00	8328.00	7383.00	8186.00	7635.00	7479.00	8020.00	7084.00	5862.00	7249.00	6668.00	8189.00	6665.00	8117.00	8169.00	7264.00	8086.00	8889.00
Desmethylzopiclone	6387.00	9075.00	8884.00	8335.00	5483.00	3158.00	7801.00	8632.00	6698.00	7169.00	6037.00	5164.00	5035.00	6314.00	5968.00	4066.00	2818.00	5312.00	6058.00	5812.00	4783.00	4798.00	1.00	6543.00	4178.00	5419.00	6317.00	3586.00	1.00	7881.00
Triamcinolone Esi-11.002997	8602.00	9655.00	29205.00	26844.00	8725.00	24036.00	24819.00	26072.00	26721.00	22849.00	25814.00	22061.00	24958.00	25554.00	24233.00	19765.00	35404.00	25105.00	25379.00	24666.00	22972.00	23275.00	25737.00	26953.00	25702.00	28846.00	24039.00	25889.00	24967.00	28137.00
11S-hydroxy-hexadecanoic acid Esi-12.515998	7018.00	8033.00	6925.00	7130.00	7715.00	7511.00	6634.00	7026.00	7677.00	8676.00	6949.00	6951.00	7208.00	7588.00	6820.00	6587.00	7355.00	6879.00	7402.00	6878.00	6678.00	6876.00	7352.00	7293.00	7191.00	7388.00	7618.00	8302.00	7254.00	8136.00
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	6695.00	7444.00	6368.00	7711.00	9705.00	8651.00	8731.00	9477.00	6628.00	6295.00	9658.00	6922.00	7383.00	7605.00	8935.00	8253.00	7578.00	8781.00	10745.00	8146.00	6366.00	8552.00	6625.00	6051.00	8746.00	8237.00	8588.00	6378.00	7925.00	7300.00
1-(10-methyl-hexadecanoyl-2-(8-[3]-ladderane-octanyl)-sn-glycerol	4656.00	4443.00	6031.00	7340.00	4226.00	4670.00	8009.00	7673.00	7633.00	6008.00	4098.00	3356.00	5225.00	8231.00	5653.00	4261.00	4191.00	5560.00	5688.00	4502.00	3619.00	4719.00	4068.00	5480.00	6281.00	6732.00	9025.00	9438.00	3169.00	7409.00
OPC6-CoA	7910.00	10240.00	11256.00	9360.00	8151.00	8587.00	8079.00	9052.00	9554.00	9746.00	7740.00	7888.00	7351.00	9047.00	7133.00	8292.00	6825.00	8589.00	9524.00	8104.00	8873.00	8970.00	6085.00	8521.00	7373.00	8541.00	7265.00	6697.00	7351.00	9155.00
PS(17:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	5920.00	5630.00	6884.00	3744.00	6466.00	7695.00	6417.00	7628.00	7571.00	6411.00	5800.00	3761.00	8142.00	5808.00	8163.00	8215.00	6872.00	6480.00	5853.00	6091.00	4495.00	6902.00	6912.00	7359.00	6722.00	8521.00	5732.00	7747.00	7421.00	5107.00
Palmitoyl glucuronide Esi-12.096002	4480.00	5643.00	5496.00	7327.00	4193.00	4635.00	6495.00	5157.00	5066.00	5551.00	2739.00	3199.00	6305.00	9438.00	4431.00	6112.00	3508.00	3962.00	5191.00	5548.00	4138.00	6582.00	4439.00	8105.00	4973.00	6534.00	9743.00	6588.00	3412.00	7318.00
PtdIns-(4,5)-P2-biotin	7341.00	7906.00	8776.00	8014.00	6660.00	5258.00	7960.00	7200.00	7144.00	8534.00	7084.00	7730.00	5635.00	7227.00	5495.00	6230.00	2813.00	5714.00	6592.00	6314.00	7057.00	6131.00	2588.00	8248.00	4706.00	6590.00	7271.00	4953.00	3602.00	7914.00
C31 H65 N20 O3	6086.00	5922.00	7385.00	6245.00	7971.00	8575.00	7932.00	6876.00	6926.00	4854.00	8849.00	6638.00	6674.00	6806.00	9906.00	9203.00	9592.00	8727.00	7574.00	7731.00	6957.00	8727.00	10255.00	6180.00	9238.00	8852.00	8762.00	8344.00	9422.00	5104.00
DL-2-Aminoadipic acid	3852.00	7985.00	3431.00	6167.00	1.00	1.00	4085.00	3360.00	2706.00	4312.00	3594.00	1.00	4734.00	4036.00	1.00	3705.00	3387.00	2413.00	2666.00	3742.00	7707.00	5099.00	1.00	5665.00	5998.00	2658.00	2079.00	2083.00	1.00	4145.00
Costatone	12509.00	15578.00	14945.00	13196.00	13330.00	12026.00	15300.00	16304.00	13062.00	12133.00	11584.00	14519.00	14934.00	12468.00	13009.00	12869.00	12484.00	13952.00	13820.00	13959.00	12832.00	11830.00	9479.00	12449.00	14974.00	13091.00	14356.00	13289.00	11053.00	16072.00
C40 H75 N13 O3	7348.00	7661.00	6919.00	6787.00	7716.00	9083.00	7920.00	9087.00	6911.00	6670.00	8670.00	8209.00	7162.00	7716.00	8118.00	7624.00	8105.00	6625.00	7997.00	6392.00	6196.00	7360.00	8680.00	6220.00	7027.00	7422.00	7876.00	7051.00	8793.00	6915.00
C12 H2 N2 O13 S2	14277.00	16034.00	14552.00	12614.00	16769.00	15082.00	14718.00	17945.00	14853.00	15989.00	17380.00	14912.00	16807.00	15296.00	15641.00	17889.00	15488.00	14724.00	16037.00	16455.00	15728.00	15410.00	15525.00	15332.00	15041.00	16155.00	16985.00	14878.00	13866.00	16544.00
Myxochelin B	6259.00	6738.00	6176.00	7133.00	8493.00	6740.00	8188.00	8879.00	5685.00	8071.00	7958.00	5341.00	5380.00	6263.00	6558.00	6017.00	6467.00	6209.00	5768.00	7308.00	5198.00	7492.00	6329.00	7704.00	6024.00	6761.00	6939.00	4801.00	5767.00	4435.00
Mannosyl-1beta-phosphomycoketide C30	6184.00	6338.00	6065.00	6233.00	7163.00	6364.00	6867.00	6914.00	6093.00	6516.00	6454.00	6113.00	8120.00	6761.00	6690.00	7775.00	7976.00	7976.00	7796.00	7784.00	5437.00	6796.00	5956.00	7793.00	6053.00	6255.00	8037.00	6871.00	7462.00	6423.00
C40 H65 N9 O4 S5	10751.00	10287.00	9367.00	10641.00	10417.00	8866.00	9428.00	9632.00	10231.00	9429.00	9020.00	10460.00	8960.00	10041.00	8982.00	9786.00	7751.00	7424.00	7878.00	8340.00	9503.00	9844.00	8322.00	9409.00	9229.00	9015.00	8310.00	7934.00	9442.00	8731.00
Picosulfate	4431.00	7652.00	5208.00	7028.00	4937.00	1.00	5144.00	4282.00	2496.00	4316.00	5465.00	4635.00	2906.00	7971.00	1.00	1.00	1.00	5667.00	1.00	1.00	3593.00	3450.00	1.00	4914.00	2041.00	6598.00	5409.00	1.00	1.00	5900.00
2-Methoxyestrone 3-glucuronide Esi-9.886995 :1	17370.00	64764.00	63506.00	21300.00	87865.00	88266.00	112812.00	60833.00	18899.00	124662.00	58121.00	6014.00	25398.00	10691.00	54446.00	44884.00	84957.00	23771.00	17950.00	79168.00	35046.00	121774.00	20037.00	65252.00	23043.00	19349.00	131177.00	40694.00	60598.00	2628.00
C32 H39 N23 O15	7708.00	10781.00	10051.00	9748.00	8166.00	5573.00	7107.00	8391.00	8480.00	9463.00	5404.00	9843.00	7905.00	8343.00	7894.00	8338.00	7005.00	7692.00	9312.00	5925.00	10696.00	1.00	6364.00	7433.00	7235.00	8098.00	7604.00	7398.00	1.00	8298.00
Disialosyl galactosyl globoside	5133.00	4270.00	6958.00	5721.00	7057.00	6289.00	4772.00	5475.00	5206.00	4362.00	6496.00	7317.00	5233.00	6096.00	6840.00	6510.00	7357.00	5218.00	5688.00	5086.00	4979.00	5512.00	8384.00	5225.00	7315.00	5875.00	4869.00	6744.00	8335.00	4677.00
Cer(d18:2/23:0)	6287.00	6124.00	5588.00	4568.00	1.00	7466.00	8051.00	6841.00	6129.00	6699.00	7176.00	6072.00	7225.00	7847.00	6252.00	7923.00	6669.00	6576.00	7488.00	7849.00	5820.00	7608.00	5801.00	7043.00	7661.00	8006.00	5969.00	6511.00	6884.00	7510.00
4-Hydroxy-2',3,5,5'-tetrachlorobiphenyl	1.00	1.00	2106.00	1.00	2147.00	2644.00	1.00	4400.00	1.00	2068.00	5136.00	1.00	7825.00	3574.00	2800.00	6303.00	3865.00	2098.00	3706.00	1.00	1.00	2296.00	1.00	2295.00	2124.00	2509.00	3078.00	3221.00	1.00	1.00
PS(21:0/18:3(6Z,9Z,12Z))	5304.00	5119.00	6653.00	5075.00	6144.00	4750.00	6537.00	5895.00	6476.00	6057.00	6273.00	5966.00	6915.00	6786.00	6749.00	7685.00	6678.00	6824.00	5946.00	6746.00	4692.00	6444.00	6693.00	7183.00	6387.00	6086.00	7471.00	6956.00	6548.00	5920.00
3beta-Acetoxy-4-oplopanone	5524.00	5752.00	6718.00	6904.00	6293.00	5236.00	7343.00	5674.00	6115.00	6123.00	4954.00	5281.00	7232.00	6757.00	5884.00	5098.00	5933.00	7424.00	6005.00	6892.00	5583.00	5319.00	5223.00	6177.00	6228.00	6506.00	7487.00	7697.00	4939.00	7103.00
C14 H27 N2 O17	4553.00	6831.00	7671.00	6179.00	3542.00	1.00	4910.00	5829.00	4137.00	5346.00	3824.00	2513.00	2351.00	4515.00	3008.00	1.00	1.00	4409.00	4517.00	3613.00	2335.00	2477.00	1.00	4966.00	1.00	2917.00	4470.00	1.00	1.00	6253.00
C16 H5 O17	4894.00	6816.00	6852.00	8087.00	7985.00	4060.00	6861.00	5677.00	3517.00	5995.00	5083.00	6227.00	3955.00	7476.00	5912.00	1.00	1.00	6496.00	4513.00	3445.00	4562.00	4115.00	1.00	5831.00	3009.00	7478.00	7382.00	1.00	1.00	7169.00
C51 H69 O6 S5	5405.00	5900.00	4100.00	6075.00	4605.00	5180.00	4491.00	4388.00	4615.00	4929.00	5885.00	4526.00	3690.00	5518.00	5233.00	5475.00	3677.00	5614.00	2580.00	4643.00	5142.00	5816.00	5707.00	3973.00	5118.00	5526.00	3715.00	6060.00	5909.00	4442.00
C36 H47 N23 O3	5363.00	6140.00	6701.00	7576.00	4800.00	7228.00	6614.00	7131.00	6334.00	5720.00	4632.00	5039.00	6061.00	6107.00	4539.00	4860.00	6443.00	5873.00	5591.00	4351.00	4864.00	4170.00	6635.00	5341.00	5213.00	7373.00	7364.00	3936.00	8423.00	6312.00
C34 H74 Cl2 N6 O12 S4	5788.00	6826.00	6849.00	7073.00	6044.00	5977.00	5384.00	5443.00	7086.00	5974.00	7763.00	7678.00	6577.00	5903.00	7678.00	5418.00	6824.00	6941.00	6942.00	6951.00	5089.00	6879.00	5739.00	6265.00	6486.00	5029.00	6354.00	5626.00	6948.00	5689.00
C50 H79	4349.00	3733.00	4272.00	3895.00	4276.00	4488.00	5480.00	5776.00	6446.00	5999.00	4061.00	5658.00	5418.00	6570.00	4588.00	6007.00	4002.00	5785.00	5960.00	4909.00	3836.00	5239.00	4035.00	4721.00	6709.00	5542.00	4372.00	3807.00	3418.00	5728.00
PS(20:0/18:1(9Z))	32874.00	23587.00	51367.00	43688.00	11205.00	8300.00	42514.00	5448.00	39161.00	40566.00	1.00	15973.00	32472.00	53623.00	15099.00	13150.00	1.00	8967.00	1.00	29957.00	9309.00	11038.00	17233.00	20796.00	27132.00	32215.00	26354.00	68747.00	2182.00	31928.00
3-Oxo-OPC4-CoA	5861.00	6669.00	5467.00	6241.00	1.00	2773.00	4550.00	5446.00	5815.00	5957.00	4556.00	4528.00	4372.00	4501.00	4833.00	4086.00	1.00	5147.00	4318.00	4401.00	5114.00	6010.00	1.00	5649.00	5360.00	4421.00	4987.00	4481.00	1.00	6980.00
C36 H47 N23 O3 Esi-0.8549997	5363.00	5217.00	6740.00	6748.00	4996.00	6064.00	5569.00	6415.00	5077.00	4897.00	4632.00	4690.00	7457.00	5446.00	5229.00	4514.00	6837.00	5170.00	6920.00	4223.00	4594.00	4541.00	6329.00	5260.00	5213.00	5479.00	6759.00	5006.00	8290.00	5652.00
OPC6-CoA Esi-0.854	9569.00	11073.00	10728.00	10347.00	10973.00	10365.00	9937.00	8699.00	9624.00	7857.00	8984.00	11775.00	8627.00	11033.00	8551.00	9763.00	10508.00	10647.00	8340.00	9638.00	9379.00	10488.00	8515.00	8752.00	9521.00	8117.00	8827.00	6505.00	8408.00	10987.00
C49 H89 N2 O2	5421.00	4956.00	6245.00	5988.00	7157.00	6022.00	5203.00	6633.00	6391.00	6547.00	5391.00	7017.00	6659.00	6518.00	6834.00	6896.00	7443.00	6960.00	7312.00	7526.00	5783.00	7079.00	7184.00	5617.00	6836.00	6205.00	6300.00	5779.00	7206.00	6271.00
C52 H44 Cl2 N15	7033.00	8102.00	7764.00	8071.00	5771.00	6059.00	6236.00	7888.00	7197.00	7138.00	6437.00	6797.00	6608.00	7680.00	7036.00	6361.00	6454.00	7664.00	8327.00	5358.00	8262.00	7127.00	5104.00	6942.00	6950.00	7580.00	7419.00	5536.00	5845.00	6788.00
PE(O-18:0/15:0)	4124.00	4717.00	3575.00	4115.00	4906.00	3738.00	5134.00	3629.00	5382.00	3579.00	4291.00	4755.00	5923.00	6240.00	2947.00	5811.00	4758.00	5501.00	5471.00	2564.00	1.00	4511.00	4589.00	4018.00	5590.00	6599.00	4974.00	3851.00	4347.00	6704.00
C39 H75 Cl3 N6 O7	10501.00	10196.00	11289.00	9727.00	7205.00	9849.00	11924.00	10054.00	10238.00	11620.00	11016.00	9124.00	10701.00	10385.00	11983.00	7933.00	6531.00	10066.00	11284.00	11067.00	9460.00	8803.00	8295.00	10621.00	10913.00	9488.00	8485.00	10531.00	7239.00	10321.00
Leucokinin I	6322.00	5181.00	5954.00	5967.00	5227.00	4735.00	5271.00	6211.00	4605.00	3951.00	4422.00	5734.00	4202.00	6456.00	4815.00	5516.00	6342.00	5219.00	3572.00	5422.00	5752.00	5861.00	5154.00	5091.00	5722.00	5257.00	3767.00	4860.00	5316.00	4753.00
135.0545@3.0579996	3562.00	2823.00	3926.00	1.00	1.00	21870.00	1.00	1.00	4168.00	1.00	3296.00	3294.00	1.00	1.00	1.00	2094.00	1.00	3490.00	1.00	2982.00	3446.00	22350.00	61854.00	1.00	1.00	1.00	2368.00	1.00	2444.00	5803.00
387.2369@7.3870006	1.00	1.00	1.00	3278.00	1.00	3593.00	15311.00	3882.00	1.00	1.00	1.00	9041.00	9952.00	1.00	4758.00	39158.00	24394.00	9691.00	1.00	34248.00	13013.00	1.00	15750.00	14883.00	1.00	17892.00	1.00	1.00	4701.00	1.00
131.982@4.849999	27122.00	1.00	1.00	1.00	273.00	43589.00	9146.00	1.00	1.00	24916.00	1.00	1.00	1.00	1.00	10067.00	14878.00	1.00	1.00	13392.00	17611.00	15810.00	1.00	13881.00	40254.00	1.00	1.00	7718.00	1.00	1.00	20314.00
Phoxim Esi-8.885	3717.00	3094.00	3837.00	6202.00	4447.00	3858.00	2586.00	3372.00	2566.00	4963.00	4854.00	4790.00	1.00	1.00	4461.00	3954.00	2533.00	2430.00	4096.00	2422.00	4361.00	5145.00	3857.00	4000.00	5022.00	4156.00	2921.00	4117.00	4259.00	4160.00