Compound	nC18-22jul17-001	nC18-22jul17-001	nC18-22jul17-002	nC18-22jul17-002	nC18-22jul17-003	nC18-22jul17-003	nC18-22jul17-004	nC18-22jul17-004	nC18-22jul17-005	nC18-22jul17-005	nC18-22jul17-006	nC18-22jul17-006	nC18-22jul17-007	nC18-22jul17-007	nC18-22jul17-008	nC18-22jul17-008	nC18-22jul17-009	nC18-22jul17-009	nC18-22jul17-010	nC18-22jul17-010	nC18-22jul17-011	nC18-22jul17-011	nC18-22jul17-012	nC18-22jul17-012	nC18-22jul17-013	nC18-22jul17-013	nC18-22jul17-014	nC18-22jul17-014	nC18-22jul17-015	nC18-22jul17-015	nC18-22jul17-016	nC18-22jul17-016	nC18-22jul17-017	nC18-22jul17-017	nC18-22jul17-018	nC18-22jul17-018	nC18-22jul17-019	nC18-22jul17-019	nC18-22jul17-020	nC18-22jul17-020	nC18-22jul17-021	nC18-22jul17-021	nC18-22jul17-022	nC18-22jul17-022	nC18-22jul17-023	nC18-22jul17-023	nC18-22jul17-024	nC18-22jul17-024	nC18-22jul17-025	nC18-22jul17-025	nC18-22jul17-026	nC18-22jul17-026	nC18-22jul17-027	nC18-22jul17-027
Factors	groups:S | time:Pre	groups:S | time:Pre	groups:F | time:Pre	groups:F | time:Pre	groups:S | time:2W	groups:S | time:2W	groups:F | time:2W	groups:F | time:2W	groups:S | time:M1(4W)	groups:S | time:M1(4W)	groups:F | time:M1(4W)	groups:F | time:M1(4W)	groups:C | time:C2	groups:C | time:C2	groups:S | time:Pre	groups:S | time:Pre	groups:F | time:Pre	groups:F | time:Pre	groups:S | time:2W	groups:S | time:2W	groups:F | time:2W	groups:F | time:2W	groups:S | time:M1(4W)	groups:S | time:M1(4W)	groups:F | time:M1(4W)	groups:F | time:M1(4W)	groups:C | time:C3	groups:C | time:C3	groups:S | time:Pre	groups:S | time:Pre	groups:F | time:Pre	groups:F | time:Pre	groups:S | time:2W	groups:S | time:2W	groups:F | time:2W	groups:F | time:2W	groups:S | time:M1(4W)	groups:S | time:M1(4W)	groups:F | time:M1(4W)	groups:F | time:M1(4W)	groups:C | time:C4	groups:C | time:C4	groups:S | time:Pre	groups:S | time:Pre	groups:F | time:Pre	groups:F | time:Pre	groups:S | time:2W	groups:S | time:2W	groups:F | time:2W	groups:F | time:2W	groups:S | time:M1(4W)	groups:S | time:M1(4W)	groups:F | time:M1(4W)	groups:F | time:M1(4W)
PE(19:0/0:0)	387128.00	392091.00	3592767.00	2552003.00	4685679.00	3259669.00	4042900.00	12000000.00	2650026.00	3410139.00	585139.00	788941.00	4097764.00	2413575.00	586937.00	586456.00	1312933.00	1089559.00	4986560.00	3039788.00	6641424.00	1939979.00	682421.00	694300.00	1274795.00	997978.00	6365166.00	2833913.00	11300000.00	11900000.00	2251245.00	5155532.00	5155962.00	2295619.00	1711980.00	3558628.00	518009.00	775085.00	3626481.00	2333448.00	2759242.00	1503348.00	3083779.00	1329950.00	489251.00	505893.00	1287635.00	1298228.00	2001460.00	1690545.00	1851621.00	1064225.00	7890472.00	2463509.00
?-D-Glucose	8331792.00	8341261.00	12400000.00	12400000.00	13300000.00	13200000.00	12300000.00	12200000.00	11000000.00	10900000.00	9080367.00	8967082.00	8785874.00	8719508.00	6833713.00	6823610.00	8890662.00	9099537.00	10600000.00	10400000.00	12900000.00	13100000.00	7925692.00	7846343.00	10300000.00	10200000.00	13600000.00	13700000.00	11700000.00	11400000.00	11000000.00	10900000.00	11800000.00	11800000.00	10700000.00	10900000.00	9539582.00	9495782.00	11400000.00	11400000.00	10100000.00	10400000.00	10600000.00	10500000.00	8453180.00	8342513.00	12500000.00	12600000.00	11500000.00	11700000.00	10500000.00	10800000.00	12800000.00	12900000.00
PAF C-16	110376.00	124286.00	2421863.00	948642.00	3138781.00	1609683.00	2531906.00	12400000.00	1265097.00	1962725.00	117613.00	267399.00	2976289.00	821782.00	122855.00	115735.00	609078.00	434268.00	3814507.00	1793665.00	5036460.00	712535.00	334116.00	376967.00	802502.00	644916.00	4618097.00	1596257.00	10200000.00	11200000.00	1033461.00	3827341.00	3780001.00	772922.00	550197.00	2400354.00	138820.00	354612.00	2346620.00	1258624.00	1380103.00	521817.00	1986560.00	470403.00	73445.00	90699.00	270162.00	288312.00	711107.00	367124.00	1316370.00	670952.00	5470626.00	1059290.00
C22 H44 O6	87660.00	100581.00	823404.00	323820.00	1275150.00	744030.00	1051653.00	5668416.00	458214.00	570490.00	113938.00	200724.00	1014565.00	373866.00	66798.00	53500.00	239311.00	192612.00	1479996.00	586419.00	1750951.00	246122.00	232689.00	287979.00	236509.00	289100.00	1675092.00	570772.00	3635012.00	4072131.00	433006.00	1344942.00	1376024.00	247037.00	284866.00	969108.00	100860.00	223133.00	888963.00	583012.00	402026.00	210048.00	576365.00	273847.00	67400.00	48013.00	118319.00	192574.00	377139.00	404809.00	507637.00	341717.00	2152297.00	461146.00
C5 H8 N S	6556106.00	6613196.00	7091967.00	5637430.00	5963095.00	5872751.00	6018404.00	6043392.00	5987785.00	5950622.00	6456119.00	6345767.00	7031961.00	5796358.00	6389308.00	7813003.00	6188500.00	7423022.00	5479334.00	5588992.00	5657369.00	5958790.00	6756967.00	8209413.00	6818160.00	8487694.00	5973198.00	5998526.00	5749310.00	5762422.00	6149605.00	6092522.00	6188319.00	7662809.00	6508341.00	6309415.00	6652951.00	8056078.00	5985897.00	5770108.00	6941726.00	10300000.00	5753346.00	5862593.00	8078022.00	6571354.00	6156327.00	7525268.00	7871410.00	6290130.00	6705490.00	8229192.00	7352513.00	5984656.00
C4 H4 N2 O6 S	6903790.00	7136122.00	979734.00	993575.00	1242779.00	1255845.00	2718975.00	2915973.00	3428741.00	3532468.00	6501085.00	6641801.00	2836142.00	2826803.00	6710052.00	6774304.00	6106078.00	6110604.00	2450457.00	2449403.00	2252020.00	2161893.00	6939866.00	7059202.00	6700981.00	6678298.00	1945225.00	1829446.00	2217711.00	2308738.00	3459927.00	3563292.00	1667184.00	1750675.00	3459866.00	3704563.00	6804474.00	7067479.00	2813534.00	2800796.00	2861956.00	2828799.00	2622331.00	2531345.00	7012699.00	7038420.00	3036562.00	3046424.00	3297807.00	3311448.00	6520890.00	6759608.00	2698461.00	2643600.00
C31 H49 O9	351444.00	336937.00	2452139.00	2251812.00	3422469.00	3052818.00	3696970.00	5766082.00	2808887.00	2998452.00	874585.00	879479.00	2758156.00	2433479.00	734541.00	712093.00	709394.00	663592.00	4576788.00	3870631.00	4770235.00	2924340.00	806210.00	771044.00	896922.00	822745.00	4532055.00	3156100.00	6917410.00	7094103.00	2152825.00	2856433.00	4110704.00	3225094.00	2146378.00	2470702.00	648121.00	642503.00	3583865.00	2987164.00	3088682.00	2674548.00	2777260.00	2154925.00	321641.00	314660.00	2350211.00	2302466.00	2893040.00	2765060.00	630596.00	491199.00	4861575.00	2861630.00
L-Lactic acid	4199537.00	3836730.00	6369373.00	6305350.00	6973777.00	6996582.00	6187603.00	6274686.00	4892208.00	4932925.00	5169169.00	5908663.00	4232293.00	3804720.00	4071398.00	3718651.00	4713481.00	4771934.00	4453735.00	4543385.00	5570299.00	5460518.00	4051653.00	4469609.00	4192408.00	4225355.00	5403091.00	5290410.00	3261740.00	3441908.00	3653365.00	3565599.00	4877486.00	4919033.00	4635918.00	4790180.00	2625060.00	3031344.00	3492099.00	3640845.00	3712084.00	3919257.00	3492007.00	3838817.00	4248621.00	4167228.00	6305682.00	6085684.00	6035355.00	5502217.00	4145681.00	4217558.00	4245496.00	4665318.00
C3 H4 N2 O5 S	5481603.00	5568567.00	498563.00	590735.00	660149.00	719812.00	1843728.00	1963732.00	2113667.00	2118423.00	4868300.00	4906217.00	1567138.00	1558342.00	4897502.00	4873243.00	4302280.00	4331133.00	1115368.00	1151691.00	1241477.00	1171482.00	5001522.00	5425579.00	4821938.00	4835884.00	1016207.00	1012372.00	1480623.00	1519191.00	2157989.00	2284635.00	906783.00	1005091.00	2112789.00	2125566.00	5050131.00	4739524.00	1520747.00	1403244.00	1586798.00	1588992.00	1413889.00	1481139.00	4877099.00	5082877.00	1768690.00	1760197.00	2036926.00	2007376.00	4941236.00	4895123.00	1468111.00	1539499.00
Lactic acid	9216733.00	9098311.00	13700000.00	13500000.00	14400000.00	14400000.00	13400000.00	13300000.00	12000000.00	12100000.00	9848436.00	9899834.00	9675745.00	9603861.00	7448207.00	7374401.00	9681191.00	9906874.00	11900000.00	11400000.00	14100000.00	14300000.00	8586268.00	8515194.00	11100000.00	11000000.00	14700000.00	14800000.00	12500000.00	12400000.00	11900000.00	11800000.00	12800000.00	13000000.00	11800000.00	11900000.00	10200000.00	10400000.00	12400000.00	12300000.00	11000000.00	11300000.00	11600000.00	11400000.00	9161722.00	9035210.00	13600000.00	13700000.00	12500000.00	12800000.00	11400000.00	11600000.00	14000000.00	13900000.00
C33 H56 O8	1.00	12071.00	207613.00	89236.00	511418.00	260896.00	575742.00	2939736.00	222613.00	343073.00	27641.00	43539.00	331854.00	79099.00	13816.00	12595.00	46739.00	33857.00	834492.00	344598.00	1033533.00	148925.00	46038.00	52807.00	95862.00	63683.00	691331.00	213878.00	1348285.00	1437758.00	148201.00	546928.00	633117.00	125112.00	75871.00	362526.00	14471.00	51546.00	443672.00	226086.00	255870.00	79207.00	294486.00	69538.00	1.00	1.00	33198.00	36534.00	83875.00	35337.00	162858.00	78336.00	867491.00	151827.00
MID42031:25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / 25-hydroxy-16,17,23,23,24,24-hexadehyd	100420.00	102706.00	579086.00	202806.00	882381.00	510936.00	689007.00	2368303.00	340961.00	460576.00	93335.00	117819.00	696026.00	224866.00	78084.00	74506.00	137316.00	113054.00	915466.00	377512.00	1022318.00	150807.00	162633.00	193614.00	144772.00	181332.00	1059223.00	391389.00	1782685.00	1936534.00	247565.00	854763.00	897200.00	159880.00	208899.00	664268.00	109175.00	161532.00	599230.00	348293.00	301288.00	160323.00	467737.00	161311.00	88854.00	79589.00	119334.00	136618.00	260561.00	274648.00	294166.00	218688.00	1234724.00	261325.00
cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene	1807304.00	1815243.00	2536357.00	2531407.00	2701484.00	2652490.00	2430409.00	2441944.00	2227028.00	2186714.00	1956768.00	1954580.00	1757247.00	1765714.00	1529131.00	1521278.00	1917181.00	1936368.00	2022772.00	2054598.00	2507371.00	2485703.00	1597589.00	1584893.00	1983734.00	2032160.00	2504398.00	2597482.00	2111413.00	2186186.00	2099408.00	2153256.00	2198966.00	2126089.00	2035134.00	1901380.00	1915165.00	1835871.00	2062210.00	2090338.00	1972240.00	1866756.00	1950189.00	1904065.00	1670103.00	1634829.00	2368739.00	2311737.00	2222350.00	2208148.00	2165111.00	2093390.00	2413159.00	2510175.00
?-D-Glucose Esi-0.8930005	5127171.00	5131424.00	7524812.00	7595432.00	7831955.00	7848009.00	7270785.00	7156351.00	6325747.00	6302093.00	5553615.00	5414446.00	5077544.00	5060898.00	4334103.00	4290028.00	5505059.00	5717089.00	6341307.00	6062626.00	7681347.00	7893982.00	5035387.00	4985743.00	6247563.00	6285556.00	8034785.00	8091286.00	7013878.00	7025376.00	6599907.00	6547815.00	6953915.00	6990660.00	6335830.00	6434117.00	5914147.00	5857315.00	6918490.00	6823783.00	5981397.00	6180771.00	6330204.00	6239117.00	5351245.00	5264015.00	7430402.00	7526336.00	6762603.00	6936843.00	6496155.00	6709306.00	7780484.00	7787526.00
PE(22:4(7Z,10Z,13Z,16Z)/0:0)	26336.00	22716.00	756968.00	695883.00	570605.00	510090.00	717972.00	904647.00	559923.00	555664.00	93032.00	83997.00	555506.00	509039.00	66955.00	66743.00	119530.00	120363.00	783123.00	719922.00	905915.00	655162.00	89533.00	76925.00	79453.00	75340.00	986783.00	749289.00	1393385.00	1346341.00	419470.00	479366.00	869490.00	745481.00	431790.00	443739.00	64534.00	59915.00	682168.00	628988.00	711347.00	620226.00	611547.00	501190.00	15910.00	13867.00	499702.00	471993.00	598022.00	579855.00	33446.00	27010.00	816607.00	558384.00
C36 H61 N3 O10	37435.00	43641.00	374848.00	207358.00	960517.00	583897.00	594548.00	2444084.00	600310.00	818096.00	139845.00	202763.00	842026.00	308798.00	81025.00	60881.00	280982.00	196946.00	834626.00	427876.00	965514.00	253674.00	157872.00	146472.00	347081.00	232027.00	903095.00	348065.00	2281163.00	2704817.00	504963.00	1409250.00	1070132.00	290079.00	204346.00	808344.00	47368.00	131257.00	709687.00	382784.00	400617.00	136825.00	428254.00	134026.00	39407.00	38406.00	83168.00	94377.00	241698.00	126655.00	639806.00	334184.00	1896980.00	475986.00
5-Fluoromuconolactone	2805463.00	2813255.00	360621.00	358179.00	448502.00	432018.00	820237.00	811637.00	1527822.00	1511104.00	2473913.00	2411427.00	1531999.00	1542018.00	2651211.00	2588660.00	2451220.00	2493861.00	985247.00	1001585.00	986454.00	960822.00	2700041.00	2754408.00	2417745.00	2417535.00	823886.00	843123.00	950761.00	934462.00	1154692.00	1192978.00	819028.00	816519.00	1367772.00	1340924.00	2391290.00	2371727.00	1117324.00	1139363.00	1387187.00	1285964.00	1167910.00	1130987.00	2426768.00	2513461.00	1206540.00	1237712.00	1455427.00	1418295.00	2313212.00	2303515.00	917392.00	956429.00
Acetylenedicarboxylate	6575078.00	6579747.00	7099258.00	7094014.00	5942358.00	7235401.00	7573070.00	7401958.00	5981560.00	5951763.00	6444631.00	6353032.00	7031196.00	5799394.00	7808730.00	7790253.00	6164904.00	7314375.00	5480804.00	7010664.00	5660885.00	7223201.00	6792286.00	8221187.00	6834722.00	6983759.00	5972063.00	6002896.00	7110311.00	5763946.00	7836194.00	6084103.00	7660275.00	7664344.00	6517763.00	6308629.00	6648669.00	8056078.00	5981618.00	5769508.00	5619986.00	10300000.00	5753346.00	5857923.00	7901332.00	6571249.00	7853795.00	6183232.00	8031771.00	6291009.00	8306899.00	8148383.00	7366200.00	5984025.00
C8 H10 O4 S	1449672.00	1481390.00	1434680.00	1458398.00	1634643.00	1614592.00	1748780.00	1783096.00	1660252.00	1613861.00	1558642.00	1488342.00	1220239.00	1321072.00	1425600.00	1446876.00	1101124.00	1075207.00	1660460.00	1688003.00	1653440.00	1626906.00	1400957.00	1380071.00	1485926.00	1540684.00	1803930.00	1734974.00	1475897.00	1452896.00	1772868.00	1800908.00	1674269.00	1641984.00	1396833.00	1418753.00	1587292.00	1622907.00	1434005.00	1493973.00	1757193.00	1622228.00	992367.00	959362.00	2036632.00	1977045.00	1791125.00	1746973.00	1660071.00	1684522.00	590972.00	626790.00	1689860.00	1671508.00
C3 H4 Cl N6	2188350.00	2198140.00	358938.00	377613.00	451976.00	447962.00	699850.00	705008.00	1203110.00	1181694.00	1917913.00	1890747.00	1176015.00	1179051.00	2013591.00	1948899.00	1870328.00	1910977.00	756838.00	769810.00	789841.00	778044.00	2187685.00	2198496.00	1996508.00	2020251.00	747195.00	759047.00	806498.00	807845.00	974546.00	980509.00	721999.00	731396.00	1131181.00	1138888.00	1892957.00	1888049.00	916096.00	893067.00	1064814.00	1062241.00	924422.00	948115.00	1947106.00	2023788.00	1033881.00	1044288.00	1226972.00	1165148.00	1884365.00	1893100.00	802778.00	809205.00
?-9(10)-EpODE	1585161.00	1589242.00	491828.00	452819.00	270770.00	239259.00	368372.00	568284.00	899537.00	917135.00	1128462.00	1094162.00	526443.00	479143.00	1870362.00	1846163.00	1663369.00	1628980.00	979679.00	846189.00	1637373.00	1088308.00	1670119.00	1608906.00	2370373.00	2246804.00	1611069.00	1205551.00	2664888.00	2834893.00	1434012.00	1675697.00	397146.00	324930.00	511150.00	517590.00	1494534.00	1511708.00	3141014.00	2928237.00	2656139.00	2305304.00	3313384.00	2717114.00	835303.00	813959.00	445989.00	452711.00	637759.00	589496.00	1153415.00	1070090.00	2623629.00	1725062.00
PS(22:1(11Z)/0:0)	21904.00	27100.00	398429.00	232685.00	473281.00	297376.00	369120.00	1505263.00	304186.00	471854.00	38327.00	68547.00	491340.00	185148.00	28593.00	28010.00	232320.00	166255.00	525361.00	255511.00	813656.00	175133.00	72237.00	70054.00	217987.00	143867.00	848804.00	321264.00	1640855.00	1855470.00	298471.00	993390.00	603434.00	168701.00	127681.00	442540.00	19502.00	63939.00	562869.00	301733.00	320548.00	116005.00	413616.00	124863.00	20289.00	27241.00	55953.00	64230.00	139187.00	87840.00	298710.00	156532.00	1192418.00	280432.00
C4 H6 N6 O4	1163044.00	1147499.00	1489163.00	1415652.00	1610191.00	1678083.00	1564546.00	1576222.00	1399052.00	1377383.00	1436564.00	1414605.00	1255958.00	1274759.00	1240976.00	1240860.00	1297034.00	1304414.00	1361664.00	1358303.00	1426139.00	1435741.00	1290574.00	1256421.00	1227613.00	1214487.00	1473294.00	1402370.00	1103987.00	1109056.00	1170296.00	1160743.00	1430807.00	1445724.00	1361341.00	1377512.00	996283.00	1042437.00	1180301.00	1196315.00	1284042.00	1242531.00	1181027.00	1141557.00	1256068.00	1289470.00	1518804.00	1562457.00	1448333.00	1473539.00	1176562.00	1217865.00	1298506.00	1274023.00
13Z-octadecenoic acid	26385.00	19885.00	61540.00	27575.00	81696.00	41447.00	70973.00	365285.00	87459.00	133082.00	22085.00	28640.00	88399.00	28765.00	23154.00	16103.00	60655.00	47082.00	269766.00	101810.00	480237.00	64832.00	41657.00	39792.00	92133.00	60718.00	540506.00	156150.00	1248047.00	1408942.00	112618.00	413509.00	112568.00	24045.00	26409.00	95693.00	28064.00	46124.00	592910.00	292690.00	294935.00	85699.00	496114.00	105356.00	14175.00	15655.00	15584.00	17151.00	45585.00	24085.00	124620.00	60624.00	1203249.00	203391.00
C38 H65 N3 O10	1.00	22133.00	208754.00	125175.00	499498.00	308675.00	357992.00	1516502.00	389312.00	487714.00	116026.00	100831.00	486247.00	168363.00	51873.00	28963.00	153298.00	114778.00	483201.00	226056.00	598652.00	153433.00	107410.00	96446.00	200974.00	141536.00	561798.00	225171.00	1518545.00	1860447.00	289558.00	908819.00	628885.00	179408.00	146222.00	536285.00	1.00	93464.00	441436.00	237485.00	231172.00	92298.00	274785.00	91660.00	1.00	1.00	51883.00	59880.00	122158.00	59386.00	411631.00	218920.00	1144948.00	284624.00
C36 H59 O11	1.00	16893.00	272183.00	143865.00	308262.00	179009.00	271904.00	1179570.00	227190.00	344105.00	24176.00	43847.00	347123.00	105136.00	1.00	1.00	182073.00	126990.00	392274.00	184145.00	659765.00	134150.00	59177.00	53278.00	179769.00	114572.00	754653.00	269193.00	1451485.00	1611873.00	241583.00	825085.00	478107.00	116415.00	87434.00	363895.00	1.00	55729.00	434783.00	229547.00	272976.00	84998.00	368566.00	96313.00	1.00	1.00	29426.00	36567.00	74150.00	32356.00	267017.00	135463.00	809982.00	185277.00
Cholic acid	41413.00	38459.00	14521.00	14101.00	79523.00	77648.00	244450.00	233116.00	151921.00	155213.00	1.00	1.00	29121.00	31066.00	545381.00	546618.00	1263844.00	1237598.00	342633.00	340499.00	859620.00	853789.00	522090.00	527958.00	107389.00	101722.00	48836.00	50451.00	784007.00	763001.00	162487.00	158329.00	802814.00	785221.00	33646.00	33028.00	647615.00	651792.00	180023.00	178280.00	30469.00	32009.00	66281.00	65372.00	356460.00	369817.00	348725.00	346647.00	189876.00	192227.00	234394.00	228253.00	146071.00	143426.00
9,10-epoxy-13-hydroxy-11-octadecenoic acid	849452.00	839049.00	264552.00	230734.00	150684.00	132293.00	195480.00	294777.00	478426.00	479265.00	616707.00	584697.00	278955.00	262764.00	997305.00	968966.00	885306.00	853501.00	522742.00	452562.00	866137.00	589729.00	889054.00	869898.00	1219206.00	1184991.00	863400.00	652735.00	1478672.00	1523662.00	754336.00	879360.00	220073.00	175748.00	273020.00	275964.00	803033.00	813141.00	1657804.00	1550067.00	1401132.00	1193987.00	1735614.00	1412921.00	445321.00	417293.00	240264.00	232079.00	319701.00	310076.00	604970.00	562610.00	1383153.00	886551.00
D-Glutamine	939492.00	927905.00	1055876.00	1064832.00	933529.00	927139.00	1001939.00	987099.00	1129044.00	1139871.00	1192334.00	1237206.00	1149752.00	1160648.00	1214648.00	1234298.00	1019456.00	1032948.00	1276435.00	1229998.00	1016257.00	1011824.00	1365463.00	1374722.00	1127572.00	1125119.00	1108113.00	1087575.00	1396913.00	1409113.00	1279781.00	1214350.00	1063669.00	1062558.00	1050248.00	1095659.00	1223743.00	1245759.00	1275446.00	1329049.00	1422700.00	1362624.00	1321291.00	1262664.00	1214456.00	1203944.00	1175794.00	1242162.00	1105855.00	1106272.00	1136214.00	1152217.00	1267196.00	1245754.00
DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0/0:0)	1.00	1.00	236938.00	58662.00	378461.00	209504.00	311661.00	1336344.00	158709.00	219731.00	1.00	18039.00	326699.00	76458.00	1.00	1.00	20377.00	1.00	418779.00	155873.00	532419.00	28551.00	30590.00	43320.00	24548.00	32976.00	515553.00	152333.00	982327.00	1081837.00	80548.00	400001.00	401321.00	28382.00	47488.00	268457.00	1.00	24682.00	246412.00	115291.00	95582.00	27259.00	175654.00	24280.00	1.00	1.00	1.00	15471.00	76568.00	66455.00	97135.00	54093.00	649613.00	85651.00
PS(20:1(11Z)/0:0)	753395.00	755038.00	441883.00	452511.00	590397.00	583806.00	670129.00	700033.00	585555.00	608260.00	1051200.00	1077454.00	523356.00	574296.00	1270306.00	1220542.00	760784.00	750688.00	658734.00	642432.00	831225.00	808379.00	1051110.00	1065999.00	1404612.00	1402892.00	728131.00	696392.00	800139.00	849197.00	859275.00	908566.00	606556.00	574046.00	645548.00	681500.00	955325.00	963850.00	719341.00	707976.00	717352.00	736911.00	712362.00	705569.00	1077618.00	1068889.00	661471.00	667842.00	601410.00	592853.00	1180641.00	1148472.00	787739.00	759066.00
Neoilludin A	281748.00	288243.00	358001.00	367030.00	431303.00	441098.00	364089.00	355977.00	368394.00	365767.00	463739.00	421018.00	418979.00	454176.00	399270.00	405725.00	473620.00	464563.00	384086.00	387571.00	356054.00	366846.00	379981.00	383031.00	420270.00	424017.00	556071.00	567907.00	406791.00	404616.00	342836.00	328236.00	551786.00	561543.00	447370.00	463921.00	489125.00	470291.00	365083.00	345099.00	306795.00	312253.00	492727.00	485441.00	1200349.00	1223832.00	418708.00	404603.00	414177.00	399869.00	456769.00	466816.00	341738.00	356560.00
3-Hydroxy-2-naphthoate	852961.00	849444.00	1053520.00	1025352.00	1276124.00	1296266.00	1142761.00	1153725.00	924225.00	913096.00	1204387.00	1183258.00	765749.00	735706.00	825953.00	827392.00	1048362.00	1042222.00	791270.00	784369.00	882091.00	826983.00	975498.00	984152.00	998940.00	1007800.00	982614.00	968254.00	574601.00	579617.00	655945.00	669026.00	929105.00	946334.00	930458.00	901820.00	552338.00	540256.00	673162.00	616518.00	669644.00	692901.00	620043.00	623136.00	1010690.00	956362.00	1239999.00	1251706.00	1233414.00	1213123.00	978584.00	953365.00	856698.00	838218.00
Neoilludin A Esi-6.190002	168865.00	180485.00	241581.00	260280.00	280536.00	290163.00	252422.00	251806.00	222414.00	215898.00	308550.00	286102.00	306822.00	339110.00	273864.00	280640.00	327052.00	355201.00	243784.00	238853.00	234963.00	245944.00	280496.00	280506.00	293426.00	282619.00	415020.00	430713.00	277040.00	264899.00	216186.00	217569.00	344508.00	356107.00	293929.00	297177.00	363633.00	341896.00	226711.00	233246.00	206160.00	210315.00	375053.00	371252.00	1220225.00	1219640.00	266242.00	264362.00	251501.00	231141.00	300212.00	296295.00	228454.00	227996.00
cholesterol sulfate	14358.00	19988.00	281446.00	120087.00	402285.00	205393.00	403642.00	1271405.00	176458.00	304384.00	14096.00	45620.00	368227.00	87158.00	15877.00	14534.00	77698.00	57033.00	522611.00	231676.00	538033.00	95803.00	51600.00	56846.00	123779.00	79995.00	668111.00	259549.00	908100.00	875905.00	114526.00	420231.00	473267.00	101755.00	64516.00	285501.00	12089.00	49801.00	437614.00	235674.00	290811.00	92679.00	340346.00	83935.00	1.00	1.00	18869.00	26061.00	81850.00	32886.00	170271.00	88946.00	611342.00	144133.00
?-9(10)-EpODE Esi-11.437006	1585161.00	1589242.00	491828.00	452819.00	270770.00	239259.00	368372.00	568284.00	899537.00	918223.00	1128462.00	1094162.00	526443.00	478995.00	1870362.00	1846163.00	1663369.00	1629331.00	979679.00	846189.00	1637373.00	1088308.00	1670119.00	1608829.00	2370369.00	2246804.00	1611069.00	1205551.00	2664913.00	2834893.00	1434012.00	1675698.00	397146.00	324930.00	511150.00	517590.00	1494534.00	1511708.00	3141014.00	2928237.00	2656146.00	2305304.00	3313430.00	2717114.00	835293.00	813959.00	445989.00	452711.00	637759.00	589496.00	1153415.00	1070090.00	2622925.00	1725062.00
C31 H49 O11	599699.00	594069.00	317892.00	324632.00	430098.00	422923.00	502225.00	517124.00	452469.00	467100.00	854629.00	843987.00	377768.00	409086.00	970241.00	962069.00	583747.00	584002.00	468450.00	468298.00	618235.00	608321.00	850557.00	849018.00	1111173.00	1137206.00	544777.00	542775.00	607753.00	664312.00	646670.00	647935.00	431547.00	423481.00	464599.00	491212.00	753806.00	749572.00	549458.00	542450.00	556446.00	580827.00	536198.00	531731.00	861326.00	874029.00	510290.00	508488.00	433224.00	424836.00	921269.00	920980.00	597589.00	553144.00
C9 H2 N2 O5 S	1010314.00	1049414.00	631919.00	632098.00	695687.00	701475.00	724540.00	728630.00	765501.00	756063.00	938276.00	914524.00	790485.00	752961.00	986848.00	989878.00	934520.00	959331.00	758590.00	728576.00	744694.00	740208.00	959319.00	953631.00	911623.00	915787.00	681522.00	652641.00	615793.00	612395.00	684128.00	697039.00	712743.00	708252.00	769726.00	779669.00	891878.00	879975.00	676135.00	709306.00	751517.00	722406.00	695142.00	667003.00	913443.00	893236.00	719596.00	730357.00	777179.00	769415.00	923722.00	926038.00	661095.00	685138.00
6Z,9Z-octadecadienoic acid	10925.00	9615.00	13736.00	1.00	11221.00	1.00	19962.00	159415.00	30843.00	48873.00	1.00	1.00	21955.00	1.00	1.00	1.00	14315.00	11653.00	110151.00	36442.00	385982.00	34848.00	17980.00	16419.00	27593.00	17581.00	306583.00	70364.00	620972.00	620657.00	20443.00	79861.00	49520.00	1.00	1.00	17427.00	9453.00	10814.00	274923.00	114496.00	164790.00	40357.00	274659.00	48398.00	1.00	1.00	1.00	1.00	9052.00	1.00	13161.00	1.00	372247.00	45058.00
PS(21:0/0:0)	84343.00	89455.00	674506.00	516753.00	861000.00	629049.00	836928.00	2605698.00	554639.00	684800.00	169488.00	214134.00	790780.00	515824.00	160383.00	158064.00	255057.00	214811.00	1005288.00	652910.00	1478822.00	479428.00	164061.00	166717.00	257491.00	209066.00	1303423.00	604803.00	2402988.00	2562236.00	466247.00	935311.00	961706.00	490221.00	359899.00	641176.00	130328.00	167064.00	772297.00	533549.00	604768.00	373095.00	655989.00	321747.00	109597.00	109250.00	309252.00	301934.00	462045.00	398935.00	336899.00	209840.00	1573083.00	530183.00
Phytuberin	870452.00	845506.00	842957.00	837572.00	864638.00	879962.00	859647.00	829545.00	861081.00	839138.00	861353.00	851493.00	793780.00	837203.00	857769.00	826811.00	836162.00	827523.00	833575.00	842001.00	804194.00	781739.00	778385.00	791930.00	836069.00	846063.00	790323.00	809151.00	798277.00	832914.00	836029.00	860098.00	790739.00	807351.00	788203.00	808743.00	796736.00	774650.00	820412.00	785787.00	821838.00	780685.00	781294.00	781030.00	785090.00	832166.00	754140.00	823099.00	798267.00	785453.00	831661.00	826523.00	830854.00	793024.00
C4 H2 N O5 S	904824.00	982154.00	358869.00	340888.00	362168.00	389391.00	462488.00	454391.00	620715.00	617937.00	741088.00	842381.00	514013.00	578424.00	829866.00	826044.00	842945.00	811453.00	503482.00	498543.00	506731.00	493564.00	889650.00	903400.00	881085.00	906436.00	501192.00	492645.00	395754.00	410272.00	455791.00	401500.00	386652.00	381157.00	535174.00	574184.00	836997.00	873088.00	537894.00	515994.00	524452.00	562790.00	521043.00	499993.00	853576.00	846355.00	816094.00	825459.00	601449.00	592622.00	771863.00	905881.00	489279.00	405278.00
C8 H3 N2 O3 S	192961.00	201514.00	88832.00	97433.00	252500.00	254828.00	536069.00	567071.00	449643.00	433159.00	227804.00	230941.00	136830.00	143206.00	503914.00	505872.00	359905.00	363360.00	984778.00	1004897.00	574514.00	617008.00	734521.00	714223.00	278982.00	295658.00	453207.00	459753.00	520140.00	507407.00	291527.00	288325.00	888779.00	874177.00	191193.00	188389.00	660934.00	658418.00	460954.00	454882.00	331354.00	308418.00	273436.00	268254.00	337751.00	327483.00	893793.00	883652.00	385972.00	390632.00	657011.00	660987.00	374298.00	380837.00
C26 H53 N8 O10	1.00	10927.00	260735.00	149853.00	351593.00	208041.00	231229.00	966267.00	115923.00	175404.00	11207.00	26443.00	306010.00	106393.00	15278.00	11926.00	100827.00	76433.00	296026.00	138414.00	340682.00	66958.00	20483.00	21783.00	79140.00	50828.00	450143.00	157176.00	806933.00	884544.00	204338.00	609785.00	303847.00	85181.00	91623.00	343642.00	14737.00	37618.00	270269.00	137566.00	131558.00	44616.00	180715.00	50650.00	11557.00	12932.00	33796.00	36499.00	72851.00	42176.00	179649.00	96243.00	563197.00	124733.00
C28 H61 N29 O2	1.00	1.00	298633.00	1.00	408922.00	209446.00	748089.00	3514723.00	482159.00	768884.00	1.00	80457.00	560588.00	100840.00	1.00	1.00	254087.00	1.00	1340068.00	538053.00	918919.00	303835.00	55904.00	173761.00	1.00	1.00	528460.00	457375.00	3185912.00	3184649.00	115552.00	529401.00	970656.00	198572.00	1.00	224003.00	1.00	1.00	888167.00	440911.00	583356.00	171815.00	657789.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	2168444.00	317211.00
C35 H62 O6	1.00	1.00	49661.00	1.00	72024.00	31948.00	96851.00	571753.00	90843.00	167016.00	1.00	1.00	128319.00	18716.00	1.00	1.00	34295.00	24536.00	192240.00	68544.00	302179.00	33611.00	1.00	19256.00	57415.00	32371.00	305713.00	88197.00	730747.00	829279.00	52088.00	249990.00	234499.00	31843.00	1.00	98365.00	1.00	22989.00	190084.00	86422.00	127142.00	31163.00	142708.00	26615.00	1.00	1.00	1.00	1.00	1.00	1.00	112944.00	51713.00	447430.00	71607.00
C22 H53 N18 O4 S	35675.00	37636.00	191158.00	136900.00	563354.00	423504.00	286240.00	1005948.00	183427.00	251558.00	65504.00	89375.00	430901.00	224804.00	60425.00	56678.00	124432.00	102760.00	417289.00	247138.00	304867.00	92997.00	54025.00	51504.00	121246.00	98225.00	298336.00	127169.00	663798.00	743539.00	244364.00	587011.00	439254.00	173711.00	192691.00	417574.00	48512.00	72814.00	259856.00	150901.00	124753.00	60244.00	144857.00	56236.00	63873.00	72356.00	80626.00	84574.00	199446.00	161758.00	256781.00	156898.00	725737.00	211860.00
C26 H36 N10	687505.00	695829.00	709394.00	741289.00	737599.00	734493.00	743971.00	721326.00	732764.00	691754.00	703112.00	691956.00	673400.00	706673.00	730153.00	733122.00	672456.00	696452.00	684067.00	711425.00	689677.00	703457.00	709613.00	708777.00	743469.00	725734.00	704865.00	736980.00	715797.00	724620.00	723749.00	733304.00	739129.00	748275.00	738410.00	741552.00	718720.00	725897.00	701676.00	731549.00	713703.00	734626.00	713055.00	731166.00	743470.00	747724.00	766661.00	720256.00	728474.00	718491.00	772367.00	748501.00	728515.00	715128.00
C27 H42 N10 O11	63007.00	76322.00	103763.00	70630.00	278542.00	80615.00	177358.00	508040.00	64230.00	244634.00	45208.00	70106.00	213569.00	82915.00	99225.00	60767.00	55240.00	53985.00	239550.00	150076.00	379481.00	48504.00	41508.00	39670.00	114810.00	36060.00	524368.00	200563.00	864731.00	735999.00	116118.00	287610.00	386921.00	89643.00	65510.00	222585.00	50882.00	87506.00	243315.00	206350.00	79441.00	34106.00	65525.00	34952.00	36046.00	34559.00	36500.00	36375.00	100581.00	60847.00	184205.00	53003.00	645713.00	105576.00
C17 H34 N9 O2	30398.00	31293.00	182886.00	65444.00	283259.00	164707.00	232255.00	748400.00	123026.00	156148.00	31706.00	37519.00	238795.00	77474.00	22465.00	23144.00	49025.00	33004.00	306629.00	136037.00	331263.00	44014.00	53305.00	55303.00	48960.00	59398.00	342567.00	127107.00	567964.00	610062.00	80886.00	274960.00	286542.00	48311.00	62568.00	229006.00	32894.00	54005.00	193731.00	110149.00	95934.00	51492.00	165131.00	54826.00	29738.00	23187.00	43053.00	48296.00	93642.00	81761.00	95186.00	74095.00	403149.00	85467.00
(+/-)-6-Hydroxy-3-oxo-alpha-ionol	244513.00	233029.00	16540.00	19512.00	21369.00	18484.00	16286.00	141308.00	216337.00	209044.00	224466.00	212776.00	19299.00	18033.00	23940.00	369645.00	23125.00	24303.00	19181.00	15957.00	367752.00	17260.00	273101.00	274086.00	15934.00	14997.00	16164.00	18299.00	26411.00	17366.00	13870.00	456459.00	17342.00	19045.00	16958.00	12729.00	255699.00	262052.00	260614.00	22120.00	354205.00	15449.00	321269.00	314255.00	34142.00	22297.00	32908.00	19025.00	19526.00	17560.00	23626.00	420480.00	19508.00	16036.00
cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene Esi-0.8940001	1820716.00	1827544.00	2543495.00	2538170.00	2709010.00	2660282.00	2440411.00	2451802.00	2239886.00	2201139.00	1970610.00	1969300.00	1771965.00	1778557.00	1540429.00	1530741.00	1929492.00	1951247.00	2034546.00	2066270.00	2520277.00	2476195.00	1609993.00	1598352.00	1997100.00	2045837.00	2517129.00	2608990.00	2122335.00	2195553.00	2111350.00	2165068.00	2208753.00	2135709.00	2047259.00	1914034.00	1928898.00	1851276.00	2074773.00	2103310.00	1982589.00	1879017.00	1962149.00	1916790.00	1683469.00	1646843.00	2382933.00	2326489.00	2237391.00	2221934.00	2179821.00	2108193.00	2425184.00	2521635.00
5-Fluoromuconolactone Esi-0.9189996	2785837.00	2794820.00	359653.00	357142.00	462458.00	448365.00	817295.00	806514.00	1522406.00	1508017.00	2463080.00	2395364.00	1524955.00	1538044.00	2632124.00	2576078.00	2433531.00	2473758.00	988519.00	1007055.00	980708.00	961026.00	2686078.00	2735049.00	2394207.00	2394215.00	830520.00	842996.00	948193.00	935482.00	1152229.00	1190691.00	813262.00	822819.00	1373822.00	1349085.00	2374392.00	2354475.00	1116420.00	1128517.00	1391096.00	1295203.00	1170021.00	1123801.00	2414179.00	2488217.00	1193596.00	1230850.00	1462096.00	1428967.00	2298858.00	2278060.00	915594.00	951288.00
C33 H58 N3 O7	1.00	1.00	61986.00	25274.00	152806.00	80709.00	159538.00	755014.00	72090.00	110480.00	1.00	1.00	95006.00	23705.00	1.00	1.00	15457.00	1.00	239228.00	102867.00	277070.00	43885.00	1.00	16472.00	29067.00	19747.00	185164.00	62846.00	409031.00	424581.00	54238.00	161231.00	189416.00	39122.00	23777.00	110370.00	1.00	16416.00	133931.00	65909.00	81057.00	26458.00	85034.00	20571.00	1.00	1.00	1.00	1.00	25213.00	1.00	46203.00	18413.00	269318.00	52361.00
Palmitic acid	100507.00	107076.00	140942.00	120676.00	156890.00	138418.00	154149.00	339499.00	147305.00	176547.00	107996.00	109160.00	168306.00	116883.00	96048.00	109335.00	150609.00	142091.00	309719.00	198316.00	348364.00	146359.00	126895.00	128100.00	146490.00	130345.00	330300.00	180292.00	583529.00	638991.00	181904.00	350408.00	189530.00	124750.00	126723.00	195035.00	122545.00	138548.00	419297.00	272087.00	248366.00	167334.00	337600.00	166172.00	116074.00	112430.00	118913.00	118546.00	129072.00	123945.00	192059.00	157001.00	542754.00	200788.00
5-O-Feruloylquinic acid	188359.00	185083.00	629195.00	639053.00	721117.00	742775.00	617971.00	609691.00	448460.00	412523.00	246759.00	247621.00	307410.00	303894.00	146218.00	148693.00	245749.00	247462.00	533627.00	545904.00	765657.00	748544.00	164194.00	166085.00	267077.00	271636.00	771460.00	743428.00	582182.00	579608.00	472950.00	466088.00	623483.00	634014.00	354636.00	371744.00	254995.00	263416.00	548729.00	558376.00	486097.00	475300.00	477451.00	466673.00	216547.00	211527.00	672038.00	668667.00	449591.00	439086.00	305858.00	312609.00	692112.00	682004.00
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol	560980.00	535216.00	530052.00	550338.00	553012.00	558539.00	561895.00	536775.00	564746.00	553406.00	581911.00	602790.00	494132.00	552153.00	577133.00	594541.00	549740.00	546211.00	576164.00	575595.00	560664.00	565148.00	576577.00	553981.00	551237.00	570596.00	553229.00	560539.00	559198.00	556024.00	563924.00	562625.00	558674.00	560901.00	558602.00	545252.00	568065.00	568634.00	554477.00	558292.00	571952.00	550460.00	528918.00	554187.00	571346.00	552330.00	535952.00	553556.00	531686.00	538346.00	541530.00	576648.00	541179.00	559901.00
Flaviolin	2078533.00	2092436.00	249239.00	248288.00	333257.00	326387.00	618411.00	619708.00	1182764.00	1179441.00	1882671.00	1837097.00	1197484.00	1211911.00	1982420.00	1939417.00	1823607.00	1866264.00	768283.00	782977.00	746036.00	733724.00	1982820.00	2020692.00	1785833.00	1797781.00	628765.00	639455.00	721629.00	721110.00	894085.00	927879.00	624941.00	628694.00	1073668.00	1040519.00	1797048.00	1765126.00	850805.00	871124.00	1092734.00	1005584.00	902542.00	863899.00	1789676.00	1861841.00	917592.00	942481.00	1139215.00	1111353.00	1758192.00	1714172.00	693256.00	736977.00
?-9(10)-EpODE Esi-11.437006 :1	1585161.00	1589260.00	491828.00	452819.00	270770.00	239259.00	368372.00	568284.00	899537.00	918223.00	1128462.00	1094162.00	526443.00	479127.00	1870362.00	1846163.00	1663369.00	1629331.00	979679.00	846189.00	1637373.00	1088308.00	1670119.00	1608906.00	2370656.00	2246804.00	1611069.00	1205551.00	2664888.00	2834893.00	1434012.00	1675697.00	397146.00	324930.00	511150.00	517590.00	1494534.00	1511708.00	3140613.00	2928237.00	2656142.00	2305304.00	3313116.00	2717114.00	835299.00	813959.00	445989.00	452711.00	637759.00	589496.00	1153415.00	1070090.00	2623629.00	1725062.00
C25 H46 N4 O6	654977.00	663609.00	672104.00	673590.00	689798.00	679661.00	677288.00	676806.00	689418.00	662504.00	663977.00	680304.00	633740.00	654376.00	676221.00	690306.00	696564.00	674062.00	672722.00	716615.00	693614.00	684188.00	724368.00	692459.00	692294.00	702218.00	709108.00	700301.00	688745.00	691168.00	695818.00	693029.00	724370.00	711931.00	721131.00	729979.00	704927.00	716670.00	709240.00	737454.00	714646.00	724543.00	737248.00	736528.00	699135.00	695538.00	729370.00	685559.00	710902.00	716648.00	704830.00	708708.00	694469.00	709757.00
C5 H4 O7 S2	697481.00	716603.00	556403.00	543284.00	576660.00	586967.00	598544.00	605233.00	595140.00	595022.00	684856.00	680018.00	615734.00	608991.00	697035.00	705433.00	674826.00	692808.00	570670.00	593375.00	596640.00	588127.00	676116.00	666301.00	650308.00	664424.00	557252.00	560118.00	532360.00	520135.00	571998.00	584069.00	561622.00	567784.00	622131.00	600952.00	649592.00	656812.00	544389.00	564544.00	604893.00	580840.00	560899.00	558797.00	651007.00	654338.00	576388.00	566939.00	610569.00	616584.00	691242.00	654387.00	541531.00	574646.00
Cystathionine ketimine	701072.00	720077.00	16645.00	17445.00	22298.00	23977.00	66430.00	71694.00	213913.00	219084.00	545779.00	536552.00	220135.00	216081.00	662078.00	664841.00	564725.00	569283.00	92303.00	90838.00	85324.00	87560.00	729204.00	726804.00	571114.00	576165.00	82876.00	80253.00	94587.00	92826.00	156108.00	151488.00	73626.00	66446.00	195664.00	202734.00	531588.00	540925.00	134317.00	137613.00	180101.00	174359.00	146012.00	144106.00	610724.00	612693.00	146519.00	144780.00	209720.00	204990.00	519808.00	523621.00	94546.00	91751.00
Sulfuric acid	923479.00	931334.00	879714.00	852618.00	864997.00	757380.00	827692.00	882177.00	732728.00	819014.00	861202.00	987387.00	858206.00	762104.00	908813.00	995039.00	1068275.00	1019765.00	702543.00	686543.00	973979.00	906324.00	1118234.00	1002503.00	797907.00	765581.00	842205.00	823205.00	824016.00	950401.00	789914.00	822895.00	762958.00	889025.00	719206.00	835360.00	900967.00	867552.00	792596.00	756009.00	1044896.00	1137277.00	997078.00	906359.00	1154628.00	1022991.00	957744.00	1021706.00	820709.00	853189.00	967141.00	1078857.00	692848.00	749089.00
C33 H53 O10	25723.00	31736.00	257559.00	191130.00	305384.00	221552.00	214242.00	707721.00	141881.00	194622.00	40344.00	49494.00	298170.00	173449.00	45914.00	47025.00	156848.00	127915.00	265719.00	158205.00	339243.00	101051.00	36079.00	38283.00	111079.00	93956.00	366253.00	162608.00	604117.00	698552.00	233632.00	522500.00	261810.00	119631.00	133768.00	269882.00	35865.00	52168.00	251320.00	161062.00	139592.00	79317.00	185960.00	86773.00	56846.00	57323.00	70428.00	77278.00	121768.00	99633.00	170423.00	107514.00	533141.00	161868.00
Heudelottin C	1.00	1.00	101916.00	41965.00	167662.00	83398.00	151828.00	721820.00	116371.00	167658.00	1.00	17882.00	159838.00	38287.00	1.00	1.00	48779.00	34816.00	226037.00	94977.00	320131.00	51521.00	24839.00	24581.00	58562.00	37244.00	316416.00	109713.00	619505.00	674067.00	82823.00	296873.00	212393.00	42383.00	28021.00	142131.00	1.00	24883.00	202533.00	97449.00	119447.00	36202.00	141638.00	33261.00	1.00	1.00	1.00	1.00	30706.00	14540.00	91601.00	45220.00	450873.00	98021.00
4-Pentenoic acid, 3-oxo-	448752.00	433914.00	540403.00	542969.00	603232.00	612641.00	600003.00	601137.00	573677.00	547549.00	467069.00	479123.00	466645.00	470080.00	349025.00	385445.00	504693.00	466824.00	566437.00	561504.00	675934.00	631121.00	399881.00	400984.00	538614.00	488011.00	602698.00	609852.00	505995.00	520514.00	514492.00	523331.00	565759.00	569162.00	557933.00	549872.00	462046.00	486656.00	540535.00	533434.00	529678.00	508243.00	514549.00	531206.00	416369.00	428932.00	561617.00	579378.00	563373.00	565758.00	497494.00	504962.00	577816.00	614204.00
Taurine	509325.00	508138.00	458725.00	458726.00	345013.00	345218.00	316082.00	305261.00	458632.00	454230.00	321739.00	331217.00	338502.00	334373.00	446947.00	431983.00	342597.00	332543.00	470949.00	482892.00	542418.00	556921.00	647939.00	665286.00	423577.00	413632.00	461266.00	488065.00	533648.00	532029.00	584113.00	588950.00	488903.00	482999.00	356178.00	348313.00	587004.00	568820.00	527311.00	524155.00	363651.00	391871.00	422715.00	431395.00	435712.00	446683.00	725436.00	727007.00	452455.00	460173.00	487627.00	465340.00	499380.00	488090.00
PE(19:0/0:0) Esi-11.3980055	24233.00	26007.00	194713.00	153423.00	209609.00	161953.00	192963.00	548893.00	133142.00	157743.00	42942.00	50960.00	188716.00	128051.00	39568.00	40098.00	76125.00	65842.00	194525.00	132305.00	318938.00	118783.00	45014.00	39806.00	64488.00	55868.00	254541.00	122094.00	502208.00	530323.00	103345.00	197390.00	205201.00	115725.00	103749.00	159255.00	37229.00	49692.00	192744.00	134390.00	123161.00	80187.00	131849.00	68508.00	32164.00	35464.00	79250.00	82055.00	107712.00	93427.00	89598.00	57580.00	311578.00	114230.00
L-Lactic acid Esi-1.3799996	4132796.00	663101.00	6051490.00	6303452.00	1277818.00	1327110.00	1121481.00	1175346.00	877588.00	879344.00	943588.00	936160.00	4229228.00	650843.00	4069166.00	655188.00	740292.00	778720.00	749408.00	757478.00	5576302.00	813274.00	697553.00	665375.00	689993.00	766676.00	5408356.00	779840.00	3508675.00	507345.00	3647703.00	585492.00	838991.00	839120.00	776643.00	5396584.00	3014289.00	2841027.00	563839.00	594931.00	637018.00	3924229.00	596690.00	3775464.00	724797.00	730188.00	6584469.00	1138510.00	6106109.00	1044900.00	670523.00	745669.00	4444073.00	4404395.00
Nirvanol	394255.00	396003.00	430400.00	435072.00	440481.00	444805.00	503936.00	492513.00	422448.00	413997.00	599963.00	591885.00	375512.00	370760.00	566075.00	609865.00	443426.00	467282.00	552114.00	577512.00	423610.00	433886.00	500426.00	511914.00	415789.00	428819.00	533509.00	528669.00	464263.00	460718.00	471033.00	462200.00	499148.00	498179.00	524026.00	527400.00	533462.00	529961.00	478641.00	476458.00	457658.00	477090.00	395316.00	390228.00	439492.00	429416.00	479416.00	487024.00	544064.00	550329.00	512978.00	518170.00	549183.00	538362.00
NeuAcalpha2-3Galbeta-Cer(d18:1/16:0)	1.00	1.00	60342.00	32038.00	91806.00	46840.00	70735.00	599739.00	32848.00	54116.00	1.00	1.00	66456.00	25678.00	1.00	1.00	1.00	1.00	95772.00	37921.00	159234.00	16632.00	1.00	1.00	1.00	1.00	150393.00	33038.00	474801.00	526237.00	22354.00	101015.00	104119.00	24264.00	13614.00	52251.00	1.00	1.00	55330.00	25394.00	30584.00	10314.00	37315.00	1.00	1.00	1.00	1.00	1.00	19345.00	14616.00	16589.00	1.00	224987.00	27616.00
4-Hydroxybenzenesulfonic acid	349623.00	353724.00	315307.00	301097.00	471321.00	478169.00	484665.00	485023.00	442821.00	441344.00	407315.00	397791.00	306086.00	313256.00	625782.00	630899.00	414746.00	424378.00	512246.00	524749.00	422169.00	426273.00	495391.00	488183.00	358652.00	367150.00	637038.00	603651.00	622519.00	614593.00	353741.00	359232.00	626585.00	622999.00	358212.00	363482.00	430338.00	433242.00	357246.00	369499.00	435767.00	425856.00	403183.00	394309.00	433792.00	436279.00	539368.00	534926.00	364071.00	363048.00	440273.00	457739.00	456554.00	453549.00
Nabam	439895.00	430951.00	244024.00	242759.00	264597.00	275274.00	435940.00	455508.00	511512.00	516564.00	511411.00	501085.00	457963.00	468327.00	473104.00	489259.00	493481.00	492757.00	421192.00	428283.00	397798.00	422507.00	461414.00	470872.00	576226.00	574095.00	392703.00	394212.00	419864.00	431190.00	533472.00	536391.00	362918.00	363032.00	534134.00	564195.00	539313.00	542691.00	518759.00	495386.00	462549.00	481071.00	457604.00	459353.00	514655.00	532097.00	516646.00	518749.00	530131.00	529899.00	486823.00	510854.00	486855.00	489401.00
9,10-epoxy-13-hydroxy-11-octadecenoic acid Esi-11.468996	849452.00	840240.00	261701.00	230734.00	150684.00	132293.00	195480.00	294777.00	478426.00	478649.00	616707.00	584697.00	278955.00	260919.00	997305.00	968966.00	885306.00	853501.00	522742.00	452562.00	866137.00	589729.00	889054.00	869898.00	1219206.00	1184991.00	863400.00	652735.00	1478672.00	1523662.00	754336.00	879360.00	221210.00	175748.00	273020.00	276020.00	803033.00	813141.00	1657804.00	1550067.00	1401132.00	1193987.00	1737022.00	1412921.00	445321.00	417293.00	240264.00	232079.00	319701.00	310076.00	604970.00	562610.00	1383153.00	886551.00
4-Sulfocatechol	235683.00	227472.00	135370.00	135060.00	243365.00	249754.00	534152.00	546954.00	452081.00	428748.00	361038.00	362390.00	236551.00	239309.00	383155.00	381081.00	212533.00	211849.00	398408.00	413493.00	260420.00	261133.00	380549.00	386125.00	380200.00	378110.00	608474.00	595882.00	287659.00	287571.00	331574.00	341564.00	353724.00	353644.00	303596.00	303084.00	379506.00	371486.00	280318.00	289881.00	408491.00	393200.00	345404.00	339975.00	349293.00	347191.00	401575.00	423632.00	277331.00	282525.00	493348.00	523537.00	397351.00	390607.00
2-methylene-4-oxo-pentanedioic acid	713634.00	285263.00	971669.00	377361.00	1106154.00	1069902.00	1034843.00	1031145.00	854075.00	314250.00	929170.00	894992.00	653891.00	298127.00	283907.00	666132.00	330248.00	790006.00	1.00	768560.00	759572.00	343904.00	1.00	778995.00	715124.00	334953.00	877565.00	859345.00	635691.00	657412.00	664506.00	674746.00	908759.00	373161.00	857095.00	873823.00	1.00	262309.00	308615.00	650082.00	675431.00	1.00	651949.00	300038.00	316713.00	818415.00	1021248.00	989953.00	389016.00	999536.00	360551.00	718854.00	339180.00	345412.00
2-methyl-3-oxo-propanoic acid	433599.00	418050.00	519385.00	553071.00	587134.00	598712.00	611089.00	598234.00	563924.00	549150.00	443641.00	449478.00	454629.00	458525.00	329209.00	335700.00	428061.00	451085.00	506108.00	485546.00	595545.00	584474.00	362084.00	341571.00	465098.00	471899.00	598082.00	597771.00	490588.00	496312.00	489236.00	498155.00	526821.00	518298.00	516263.00	494638.00	447479.00	421555.00	515249.00	487603.00	486212.00	468629.00	441687.00	466624.00	362356.00	363706.00	570579.00	524946.00	516981.00	548533.00	495245.00	492484.00	587729.00	561714.00
C6 H2 N2 O3 S	652527.00	694028.00	526609.00	429210.00	509929.00	522002.00	565371.00	572250.00	565531.00	591755.00	654434.00	603251.00	640036.00	592986.00	680791.00	629417.00	644813.00	676000.00	617623.00	620855.00	613495.00	583910.00	630890.00	703350.00	598215.00	653469.00	536211.00	574032.00	517926.00	538849.00	553504.00	579258.00	559832.00	595389.00	599406.00	606172.00	635306.00	662123.00	605521.00	552646.00	618256.00	532695.00	591444.00	554216.00	645876.00	645676.00	601948.00	609427.00	582456.00	598026.00	649891.00	638170.00	581381.00	516279.00
13C6-phe	527291.00	528198.00	574121.00	572684.00	593002.00	585448.00	588882.00	583296.00	518392.00	518787.00	561722.00	579022.00	574681.00	584867.00	578510.00	575138.00	572484.00	579763.00	561293.00	582726.00	583712.00	581227.00	553594.00	538589.00	554721.00	561789.00	571095.00	555570.00	535678.00	539685.00	534469.00	534530.00	532699.00	528643.00	549245.00	567941.00	542699.00	565807.00	572186.00	595469.00	610336.00	599838.00	585536.00	564862.00	569136.00	565779.00	580014.00	562829.00	561974.00	558225.00	563940.00	568287.00	574492.00	564305.00
C9 H4 N O10 S	550564.00	566531.00	336132.00	326416.00	345871.00	364850.00	362288.00	357553.00	380640.00	368092.00	479229.00	496904.00	399928.00	406165.00	533932.00	583147.00	531184.00	539696.00	381417.00	378139.00	401769.00	401498.00	568384.00	569018.00	530504.00	535419.00	376342.00	374963.00	345293.00	337982.00	400555.00	376295.00	427428.00	398302.00	460522.00	448920.00	515899.00	516038.00	366457.00	381038.00	414744.00	418844.00	397121.00	368227.00	536872.00	545474.00	407378.00	405694.00	426180.00	415896.00	519260.00	535640.00	366528.00	363939.00
2-methylene-4-oxo-pentanedioic acid Esi-0.9169999	682928.00	698007.00	186921.00	188366.00	200496.00	194221.00	295670.00	302178.00	440261.00	428560.00	640455.00	652640.00	441045.00	449646.00	696525.00	674149.00	609782.00	622034.00	338581.00	336328.00	318494.00	318212.00	720302.00	717712.00	616395.00	633232.00	289626.00	293237.00	335468.00	325244.00	330881.00	347202.00	273130.00	283850.00	407058.00	355723.00	628706.00	621535.00	357481.00	371115.00	418061.00	405149.00	376926.00	371577.00	637274.00	674796.00	381480.00	377113.00	411651.00	414118.00	619824.00	594612.00	315787.00	314577.00
C33 H61 N13 O6 S	13589.00	14785.00	95091.00	58385.00	140852.00	84953.00	144102.00	589302.00	139311.00	195029.00	33115.00	50040.00	184873.00	86453.00	26810.00	22186.00	83945.00	64619.00	221833.00	111533.00	312323.00	71047.00	39943.00	41009.00	109054.00	70225.00	253800.00	97252.00	569794.00	653438.00	95357.00	254640.00	241711.00	73163.00	49452.00	126634.00	18408.00	32857.00	192255.00	111275.00	117621.00	43593.00	137306.00	38508.00	12828.00	12657.00	31822.00	33870.00	52759.00	33580.00	137434.00	70734.00	484985.00	115899.00
Stearic acid	1.00	1.00	31979.00	1.00	49704.00	22439.00	38447.00	278568.00	18049.00	26384.00	1.00	1.00	37839.00	1.00	1.00	1.00	1.00	1.00	68946.00	20703.00	89635.00	1.00	1.00	1.00	1.00	1.00	76064.00	22961.00	243662.00	292442.00	9788.00	61663.00	53278.00	1.00	1.00	34797.00	1.00	1.00	39518.00	24977.00	13222.00	1.00	26755.00	1.00	1.00	1.00	1.00	1.00	9587.00	1.00	17845.00	1.00	128266.00	15479.00
DG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	1.00	1.00	18198.00	1.00	45993.00	18935.00	35981.00	561116.00	12471.00	21535.00	1.00	1.00	32685.00	1.00	1.00	1.00	1.00	1.00	63281.00	13584.00	100673.00	1.00	1.00	1.00	1.00	1.00	104800.00	12383.00	356896.00	406277.00	1.00	77064.00	59378.00	1.00	1.00	28049.00	1.00	1.00	31233.00	8835.00	12021.00	1.00	19621.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	171070.00	1.00
C45 H77 N3 O12	1.00	1.00	104545.00	97958.00	183873.00	187385.00	447846.00	1026314.00	174464.00	593766.00	1.00	87355.00	197157.00	108530.00	1.00	1.00	209633.00	138951.00	366974.00	154307.00	566644.00	163702.00	120012.00	122399.00	283719.00	172288.00	402923.00	257727.00	946285.00	1059442.00	161366.00	269201.00	330816.00	133877.00	67908.00	137535.00	1.00	63737.00	288156.00	145874.00	193077.00	105120.00	342384.00	87928.00	1.00	1.00	1.00	1.00	95781.00	1.00	321237.00	157855.00	669025.00	234812.00
C35 H61 N3 O11	16675.00	19348.00	105454.00	70926.00	245349.00	172105.00	164957.00	576069.00	119307.00	169785.00	31982.00	48963.00	228321.00	108809.00	26090.00	25814.00	72323.00	59470.00	232344.00	125758.00	215161.00	51531.00	34716.00	34738.00	79063.00	58556.00	184520.00	74095.00	423766.00	507392.00	120456.00	325259.00	231592.00	80186.00	80005.00	195064.00	19270.00	39044.00	162649.00	92593.00	79805.00	34736.00	93140.00	31289.00	20857.00	23281.00	36173.00	38550.00	82637.00	59981.00	162605.00	90302.00	422771.00	116913.00
C3 H4 O2	270525.00	275089.00	375448.00	357100.00	402177.00	401627.00	408136.00	375810.00	365989.00	352549.00	309855.00	273985.00	315048.00	296282.00	232437.00	227536.00	277320.00	301693.00	321366.00	327281.00	376089.00	383600.00	245601.00	241845.00	303055.00	278463.00	386873.00	401850.00	324250.00	320048.00	320214.00	292502.00	324019.00	325459.00	325177.00	344465.00	280272.00	289355.00	329126.00	327577.00	318991.00	308241.00	312788.00	308216.00	235596.00	229838.00	372060.00	359083.00	346745.00	346101.00	282463.00	307211.00	381496.00	354528.00
C31 H50 N6 O6	1.00	1.00	59705.00	22061.00	129889.00	69558.00	122425.00	587843.00	51580.00	85860.00	1.00	12061.00	72622.00	24632.00	1.00	1.00	1.00	1.00	187591.00	79775.00	223732.00	31846.00	14056.00	12167.00	24450.00	12468.00	154995.00	48938.00	311495.00	275767.00	39467.00	144945.00	147054.00	30194.00	18096.00	88293.00	1.00	1.00	104087.00	55137.00	56178.00	15239.00	67884.00	15846.00	1.00	1.00	1.00	1.00	26053.00	1.00	39151.00	19743.00	212074.00	40056.00
C8 H4 O9 S2	531667.00	538990.00	391928.00	382978.00	420740.00	408951.00	439936.00	434140.00	423943.00	425052.00	499364.00	494191.00	436556.00	424504.00	509453.00	502617.00	500609.00	504876.00	399270.00	409054.00	412176.00	409078.00	534290.00	553129.00	521919.00	529986.00	414168.00	429022.00	406046.00	404893.00	429956.00	434111.00	437122.00	449737.00	467019.00	466824.00	514350.00	513102.00	420139.00	408202.00	425593.00	446134.00	406037.00	422059.00	504626.00	518600.00	436996.00	441305.00	458821.00	459881.00	529083.00	530207.00	412383.00	427643.00
?-9(10)-EpODE Esi-11.619	286166.00	285395.00	139582.00	124926.00	111312.00	79828.00	121736.00	150655.00	199184.00	219359.00	154859.00	203986.00	168043.00	156104.00	351280.00	320349.00	318126.00	298851.00	314982.00	212038.00	431163.00	255600.00	260330.00	264370.00	416038.00	386502.00	407192.00	245500.00	595683.00	522776.00	380900.00	487216.00	109632.00	95911.00	149654.00	185850.00	279047.00	295494.00	671445.00	590917.00	493143.00	399068.00	651295.00	486107.00	187128.00	189834.00	111754.00	110082.00	186065.00	182051.00	286198.00	261378.00	671402.00	424044.00
C18 H29 N O5	437424.00	431726.00	418095.00	419266.00	439781.00	441305.00	443970.00	427089.00	445281.00	439177.00	448805.00	475822.00	391135.00	434609.00	461071.00	471194.00	432504.00	438240.00	427345.00	456780.00	441023.00	431729.00	457640.00	431890.00	430675.00	443610.00	430272.00	436669.00	442100.00	418757.00	416189.00	438458.00	439341.00	439519.00	423541.00	427925.00	423526.00	447488.00	433471.00	436832.00	457462.00	435825.00	419867.00	430046.00	450959.00	433755.00	418772.00	433298.00	389181.00	415957.00	422528.00	450122.00	428279.00	438318.00
C25 H44 O4	1.00	1.00	58273.00	24323.00	134183.00	63257.00	91098.00	446970.00	41751.00	70650.00	1.00	9930.00	86105.00	19894.00	1.00	1.00	19192.00	13436.00	114741.00	43965.00	120897.00	17548.00	9658.00	10618.00	24244.00	15136.00	161939.00	42739.00	374201.00	399627.00	47211.00	188998.00	139084.00	26613.00	19846.00	105109.00	1.00	12527.00	89320.00	40565.00	47337.00	11544.00	58221.00	12644.00	1.00	1.00	1.00	1.00	18335.00	1.00	60573.00	28899.00	228443.00	36655.00
Aspulvinone H	226367.00	229203.00	265441.00	272598.00	283159.00	279985.00	252617.00	234612.00	241869.00	235368.00	310459.00	315480.00	276077.00	291995.00	269582.00	279148.00	294310.00	306173.00	265172.00	278842.00	276727.00	280165.00	260502.00	266002.00	284151.00	294012.00	354703.00	351782.00	284237.00	286424.00	289256.00	282707.00	355061.00	359345.00	352684.00	353694.00	293319.00	298278.00	333074.00	335917.00	309216.00	301297.00	347527.00	348926.00	458865.00	442358.00	320955.00	328726.00	325752.00	318218.00	298427.00	301107.00	325451.00	327756.00
C29 H51 O3	21059.00	20251.00	264879.00	148034.00	358470.00	246981.00	427295.00	419428.00	302327.00	407954.00	36483.00	69163.00	375559.00	148017.00	25617.00	21742.00	120550.00	90031.00	521178.00	353664.00	564359.00	219578.00	80581.00	90348.00	196295.00	135520.00	569271.00	360305.00	514482.00	487626.00	204010.00	425797.00	492827.00	198649.00	111592.00	298433.00	30122.00	75118.00	460292.00	298768.00	361795.00	163581.00	425068.00	147819.00	1.00	14299.00	72397.00	76460.00	144454.00	68907.00	203708.00	120185.00	567610.00	256072.00
Ser His Gly	260097.00	268152.00	320737.00	319558.00	346021.00	347914.00	273787.00	274930.00	295954.00	294789.00	358225.00	402165.00	436920.00	445684.00	257317.00	259548.00	304508.00	319436.00	284690.00	304634.00	316831.00	297519.00	219839.00	217061.00	320353.00	300110.00	423969.00	394439.00	496485.00	484806.00	338171.00	334173.00	451285.00	461247.00	270579.00	286082.00	298225.00	311005.00	295312.00	304926.00	426808.00	400039.00	360875.00	379261.00	277234.00	284084.00	274785.00	285213.00	286923.00	292792.00	247255.00	252278.00	322000.00	317415.00
C5 H8 N S Esi-0.84600043	7807499.00	6624632.00	5643532.00	5652485.00	5976098.00	5901998.00	6030470.00	6045050.00	5987509.00	7342219.00	7874561.00	6346876.00	5800653.00	7255830.00	6406842.00	1615352.00	7270327.00	6230695.00	6682872.00	5584149.00	6932312.00	5958450.00	6772037.00	6811732.00	8134556.00	8487694.00	5981249.00	6002896.00	5776411.00	5774555.00	6162046.00	6095639.00	6241150.00	7662809.00	6516999.00	7824157.00	6661476.00	6536566.00	5980780.00	5770743.00	5629837.00	7436217.00	5754325.00	5868374.00	8078265.00	6592413.00	7841196.00	7525268.00	7871410.00	6295116.00	6716261.00	8229192.00	7352513.00	5998319.00
C22 H44 O6 Esi-13.75401	137579.00	125723.00	747761.00	280037.00	1208634.00	680925.00	957974.00	5792729.00	533445.00	542704.00	64011.00	155081.00	993702.00	309933.00	115085.00	45719.00	208087.00	135240.00	1356191.00	520652.00	1663726.00	180488.00	208288.00	262766.00	187608.00	257533.00	1467665.00	548463.00	3589544.00	4134833.00	334983.00	1231333.00	1288662.00	204365.00	250159.00	925966.00	81512.00	196740.00	847170.00	484202.00	458178.00	211357.00	637642.00	230480.00	56288.00	95859.00	103214.00	155129.00	346999.00	331439.00	417239.00	296237.00	2054453.00	400048.00
Patulin	233039.00	226619.00	236725.00	244759.00	322282.00	313723.00	326743.00	334577.00	264713.00	268734.00	325388.00	323275.00	263246.00	268225.00	287204.00	295035.00	218822.00	222858.00	389610.00	400366.00	310723.00	313661.00	283547.00	288255.00	296253.00	310200.00	503814.00	490208.00	437525.00	422605.00	270349.00	275827.00	424630.00	413042.00	295948.00	296363.00	274180.00	280446.00	305776.00	308699.00	399073.00	391176.00	367161.00	361909.00	364525.00	351023.00	424630.00	430879.00	354191.00	331843.00	256524.00	280376.00	348321.00	336626.00
C5 H10 Cl2 N O S4	482812.00	483580.00	374006.00	371580.00	404319.00	406909.00	406202.00	419586.00	420793.00	411240.00	473667.00	485375.00	439464.00	433200.00	495661.00	504802.00	491329.00	504359.00	419554.00	429777.00	445966.00	444957.00	503608.00	505787.00	484954.00	494543.00	420891.00	414197.00	409028.00	399913.00	419721.00	416591.00	422195.00	430273.00	446792.00	456916.00	474854.00	486657.00	424671.00	430068.00	445923.00	445810.00	440349.00	416506.00	502485.00	491306.00	436067.00	435901.00	441639.00	428662.00	485461.00	493804.00	410732.00	414768.00
C6 H8 N3 O5	139529.00	147621.00	360590.00	348032.00	584045.00	576306.00	442127.00	454053.00	276991.00	282708.00	301576.00	314942.00	154512.00	143550.00	141652.00	143948.00	228908.00	236082.00	217877.00	223971.00	284187.00	290230.00	203379.00	198164.00	211372.00	212653.00	277870.00	277405.00	106601.00	99632.00	131178.00	124351.00	302240.00	314134.00	280361.00	274840.00	88343.00	84364.00	144788.00	149413.00	149050.00	143079.00	135287.00	136202.00	208245.00	228184.00	448962.00	455063.00	394661.00	404272.00	202383.00	203350.00	210366.00	229300.00
Elastin	1.00	1.00	28871.00	12493.00	87539.00	44582.00	97501.00	494169.00	32877.00	57615.00	1.00	1.00	53321.00	13421.00	1.00	1.00	1.00	1.00	147629.00	57636.00	161748.00	22938.00	1.00	1.00	15860.00	1.00	129838.00	36818.00	235402.00	245972.00	24280.00	83592.00	107212.00	20705.00	12388.00	59436.00	1.00	1.00	78426.00	36284.00	42880.00	13104.00	50007.00	11886.00	1.00	1.00	1.00	1.00	14270.00	1.00	30255.00	13350.00	147694.00	25913.00
C32 H47 N11 O	384701.00	370542.00	370323.00	377471.00	388650.00	375371.00	377498.00	375642.00	384931.00	369140.00	389147.00	345181.00	340875.00	378970.00	367599.00	367382.00	370846.00	365386.00	358660.00	367646.00	358448.00	373252.00	372229.00	385055.00	374140.00	383975.00	387090.00	383514.00	374719.00	378273.00	394839.00	386069.00	379412.00	383436.00	393353.00	388965.00	385907.00	391316.00	403096.00	404592.00	393339.00	410426.00	363973.00	378584.00	388808.00	391894.00	400385.00	388764.00	381746.00	384488.00	385990.00	387524.00	371341.00	385458.00
PAF C-16 Esi-12.494996	110376.00	124286.00	2421863.00	948726.00	3136601.00	1609683.00	2531906.00	12400000.00	1265097.00	1962352.00	117613.00	267399.00	2976289.00	822386.00	123140.00	115735.00	609078.00	434786.00	3814507.00	1793665.00	5036460.00	712535.00	334116.00	377271.00	802510.00	645326.00	4619394.00	1596257.00	10200000.00	11200000.00	1034136.00	3827341.00	3781482.00	772922.00	550197.00	2399792.00	138820.00	354612.00	2346620.00	1258624.00	1380103.00	521817.00	1989546.00	470403.00	73445.00	90699.00	270162.00	288312.00	711107.00	367124.00	1316370.00	670952.00	5470626.00	1059290.00
cis-1,2-Dihydroxy-1,2-dihydro-8-carboxynaphthalene	323543.00	364730.00	271066.00	266154.00	308287.00	308829.00	412604.00	406620.00	437375.00	464557.00	375551.00	356188.00	323202.00	310812.00	212995.00	224927.00	389499.00	380368.00	358795.00	368355.00	439343.00	437802.00	259418.00	283039.00	378347.00	427523.00	429706.00	443799.00	375933.00	372359.00	352593.00	371283.00	367777.00	365292.00	392125.00	387216.00	376268.00	381282.00	405984.00	376484.00	403584.00	365168.00	373021.00	338659.00	259584.00	294390.00	460647.00	461227.00	458473.00	453973.00	425146.00	436339.00	430371.00	439880.00
C28 H45 N6 O9	26170.00	27839.00	208758.00	158036.00	254874.00	192829.00	232695.00	476570.00	161703.00	198679.00	42348.00	56353.00	228103.00	146323.00	39764.00	40448.00	88375.00	71563.00	264798.00	179535.00	320674.00	120596.00	45818.00	46695.00	81712.00	68905.00	308045.00	165468.00	471344.00	473885.00	138692.00	259054.00	276090.00	139689.00	108878.00	199046.00	34324.00	53231.00	197042.00	136689.00	164635.00	93411.00	172482.00	86880.00	34782.00	33816.00	84716.00	84972.00	123176.00	105943.00	113208.00	69414.00	349140.00	145948.00
PE(20:0/0:0)	1.00	1.00	85898.00	49306.00	125320.00	68246.00	106002.00	485447.00	51398.00	76467.00	1.00	13207.00	102203.00	39801.00	1.00	1.00	25062.00	16428.00	140674.00	70759.00	184555.00	32407.00	13450.00	13426.00	28681.00	21489.00	157719.00	55993.00	418873.00	449695.00	41703.00	140641.00	147633.00	44866.00	25761.00	83727.00	1.00	17192.00	86273.00	44902.00	56027.00	23084.00	70504.00	21686.00	1.00	1.00	16700.00	17282.00	33240.00	23149.00	44780.00	21259.00	234693.00	50367.00
Phytuberin Esi-10.057005	398854.00	379007.00	419367.00	387294.00	391624.00	403518.00	437718.00	373763.00	411650.00	405316.00	396129.00	395710.00	365169.00	381542.00	380973.00	389851.00	422501.00	386599.00	418434.00	396113.00	398039.00	400746.00	419131.00	370885.00	398868.00	399703.00	394661.00	433840.00	392298.00	405258.00	412522.00	442336.00	412220.00	398772.00	397134.00	433346.00	394481.00	421462.00	410330.00	392737.00	400658.00	400309.00	405572.00	405635.00	373572.00	454598.00	392394.00	431270.00	402775.00	400609.00	423910.00	423018.00	419877.00	419365.00
15-oxo-18Z-tetracosenoic acid	1.00	1.00	20540.00	1.00	33564.00	14646.00	48857.00	238211.00	45779.00	73449.00	1.00	1.00	57045.00	1.00	1.00	1.00	18353.00	1.00	93510.00	33902.00	146900.00	17418.00	1.00	1.00	25407.00	15969.00	155193.00	46762.00	338425.00	375720.00	28188.00	119203.00	113549.00	13999.00	1.00	46617.00	1.00	1.00	93100.00	41564.00	62024.00	15230.00	70737.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	50985.00	21476.00	216153.00	35755.00
PE(18:0/0:0)	1.00	1.00	66934.00	22687.00	83728.00	44220.00	65633.00	396713.00	31850.00	56470.00	1.00	1.00	73189.00	21853.00	1.00	1.00	16191.00	11068.00	89015.00	41777.00	139741.00	15910.00	1.00	9888.00	18792.00	15914.00	130308.00	39944.00	338456.00	356028.00	21881.00	90502.00	94681.00	15446.00	11759.00	54397.00	1.00	1.00	54575.00	24377.00	29256.00	11902.00	53751.00	11662.00	1.00	1.00	1.00	1.00	19101.00	1.00	29855.00	13710.00	119423.00	26254.00
PE(20:2(11Z,14Z)/0:0)	43829.00	44365.00	210368.00	199698.00	252393.00	237834.00	278534.00	375830.00	218831.00	225988.00	99380.00	98776.00	213030.00	203291.00	87082.00	85221.00	87729.00	83338.00	314045.00	275792.00	388455.00	277872.00	93552.00	88954.00	105688.00	105496.00	301281.00	239620.00	447092.00	452130.00	179570.00	219057.00	300308.00	265596.00	183935.00	204524.00	84996.00	80716.00	337337.00	291302.00	244819.00	222161.00	215350.00	188427.00	46885.00	44309.00	211775.00	203100.00	235461.00	226188.00	77522.00	63020.00	341014.00	224645.00
C5 H Cl N2 S	242331.00	241352.00	24963.00	23640.00	31361.00	31004.00	48777.00	48152.00	96863.00	99030.00	214671.00	210050.00	75732.00	70429.00	216984.00	208238.00	195228.00	195519.00	53727.00	54784.00	60850.00	58892.00	228266.00	221689.00	210475.00	212633.00	50746.00	53302.00	67518.00	67079.00	81917.00	78356.00	43463.00	48290.00	85839.00	88391.00	185447.00	187596.00	61359.00	66729.00	75520.00	73927.00	69685.00	73206.00	202610.00	195167.00	73973.00	72964.00	72490.00	76584.00	181068.00	176858.00	63365.00	63839.00
?-9(10)-EpODE Esi-11.437006 :2	1585161.00	1589242.00	491828.00	452819.00	270770.00	239259.00	368372.00	568284.00	899537.00	918223.00	1128462.00	1094162.00	526443.00	478995.00	1870362.00	1846163.00	1663369.00	1629331.00	979679.00	846189.00	1637373.00	1088308.00	1670119.00	1608829.00	2370369.00	2246804.00	1611069.00	1205551.00	2664913.00	2834893.00	1434012.00	1675698.00	397146.00	324930.00	511150.00	517590.00	1494534.00	1511708.00	3140613.00	2928237.00	2656146.00	2305304.00	3313623.00	2717114.00	835293.00	813959.00	445989.00	452711.00	637759.00	589496.00	1153415.00	1070090.00	2622925.00	1725062.00
Phytuberin Esi-13.974	19724.00	18491.00	58849.00	25582.00	169494.00	44635.00	127627.00	355491.00	62926.00	99135.00	26452.00	28949.00	133055.00	21243.00	20971.00	22122.00	41412.00	26347.00	180330.00	42799.00	261170.00	58957.00	16389.00	12372.00	14677.00	16277.00	215000.00	43941.00	433965.00	474779.00	37867.00	270917.00	151940.00	46413.00	1.00	98386.00	1.00	22909.00	91549.00	25964.00	33254.00	15573.00	61586.00	10773.00	1.00	1.00	1.00	1.00	18224.00	12339.00	62822.00	10675.00	378124.00	35444.00
2-Hydroxy-5-methylquinone	258116.00	257772.00	294754.00	306413.00	387155.00	385449.00	378894.00	388716.00	273380.00	270304.00	350812.00	339715.00	259149.00	268275.00	286195.00	284160.00	189477.00	182424.00	427200.00	430227.00	347069.00	355217.00	304568.00	301235.00	296802.00	301704.00	433050.00	430944.00	331297.00	322873.00	300952.00	311110.00	361600.00	357225.00	323068.00	323887.00	237682.00	230479.00	283875.00	272108.00	331548.00	344344.00	330060.00	318330.00	342845.00	343176.00	366259.00	360663.00	368231.00	366410.00	277292.00	280983.00	307649.00	298539.00
9,10-epoxy-13-hydroxy-11-octadecenoic acid Esi-11.620995	169974.00	176028.00	64160.00	58190.00	36269.00	33827.00	49376.00	80836.00	105107.00	108214.00	113630.00	113211.00	83346.00	65878.00	211823.00	213112.00	203230.00	198178.00	147005.00	120143.00	235391.00	138085.00	170985.00	171406.00	257716.00	243048.00	214416.00	149495.00	292545.00	311224.00	198941.00	237709.00	58391.00	43866.00	73014.00	80274.00	166261.00	169591.00	368805.00	332300.00	289013.00	236865.00	379620.00	280922.00	104860.00	102969.00	55579.00	49614.00	78184.00	79020.00	154193.00	143336.00	317119.00	198898.00
C30 H59 N6 O8 S	1.00	1.00	152723.00	76471.00	184443.00	107779.00	160978.00	635103.00	98028.00	162168.00	1.00	1.00	182066.00	67575.00	1.00	1.00	71365.00	50321.00	243000.00	107653.00	306969.00	63521.00	1.00	1.00	72288.00	44407.00	350381.00	125920.00	623652.00	563889.00	112217.00	329172.00	248530.00	58724.00	52828.00	186055.00	1.00	18640.00	204003.00	106209.00	117475.00	36172.00	160721.00	38898.00	1.00	1.00	17898.00	23668.00	47312.00	29176.00	105811.00	34428.00	365672.00	73466.00
L-Lactic acid Esi-1.0880002	1.00	1.00	1.00	1.00	279055.00	280375.00	1.00	274769.00	260568.00	1.00	1.00	1.00	1.00	260639.00	1.00	1.00	1.00	287319.00	263118.00	263281.00	402181.00	407078.00	197877.00	190697.00	1.00	355610.00	293957.00	324215.00	300554.00	292920.00	226465.00	1.00	288496.00	294468.00	270893.00	272043.00	238232.00	215130.00	250297.00	1.00	275818.00	274014.00	199281.00	1.00	1.00	227469.00	1.00	361548.00	386910.00	316601.00	261482.00	1.00	297629.00	1.00
MID42031:25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / 25-hydroxy-16,17,23,23,24,24-hexadehyd Esi-13.622005	27839.00	24238.00	199666.00	104802.00	231011.00	166192.00	206162.00	365225.00	133951.00	165450.00	35779.00	49089.00	211870.00	76712.00	70692.00	22260.00	72871.00	56427.00	218803.00	158689.00	238998.00	85760.00	56515.00	57521.00	78877.00	75538.00	274632.00	165179.00	304599.00	307198.00	111065.00	244773.00	232693.00	90646.00	76511.00	205203.00	33545.00	67658.00	217521.00	147295.00	150369.00	60806.00	195120.00	69246.00	58332.00	31914.00	31899.00	34664.00	78345.00	43200.00	127154.00	90663.00	266351.00	111665.00
Neoilludin A Esi-6.4110026	72200.00	69655.00	101504.00	100553.00	118638.00	130139.00	96516.00	96285.00	82277.00	93315.00	115362.00	106337.00	123740.00	141654.00	124462.00	123448.00	145577.00	146521.00	102654.00	101767.00	94426.00	99210.00	116041.00	108778.00	132762.00	123699.00	157621.00	183672.00	103744.00	111161.00	104676.00	100561.00	162758.00	150513.00	131586.00	107090.00	143104.00	139757.00	93955.00	91485.00	91624.00	89770.00	150819.00	143381.00	380283.00	383292.00	112867.00	109867.00	109316.00	105257.00	132566.00	131489.00	100993.00	105677.00
Stearic acid Esi-14.122991	50703.00	43206.00	83115.00	60662.00	96688.00	73390.00	90996.00	276005.00	78576.00	86156.00	59159.00	50245.00	93857.00	62360.00	55567.00	53032.00	64878.00	65873.00	176107.00	104425.00	176781.00	71749.00	73265.00	65188.00	67777.00	65574.00	160595.00	86941.00	319343.00	359961.00	91944.00	160166.00	121193.00	61730.00	71792.00	120339.00	55687.00	70341.00	182357.00	126880.00	105131.00	74107.00	127250.00	74735.00	57951.00	54527.00	59576.00	54168.00	70939.00	59814.00	98800.00	78192.00	239476.00	91545.00
C8 N O2 S	416917.00	419924.00	26423.00	21753.00	42636.00	32308.00	69188.00	69434.00	170243.00	168802.00	343228.00	348356.00	126301.00	123811.00	358875.00	352831.00	305750.00	301253.00	84173.00	83351.00	86752.00	89023.00	356563.00	370985.00	334070.00	339302.00	79757.00	81191.00	104737.00	108833.00	134887.00	126845.00	60103.00	65020.00	116663.00	126728.00	313694.00	296877.00	105415.00	101183.00	122130.00	121757.00	114064.00	116803.00	328459.00	328308.00	107931.00	107035.00	104454.00	103032.00	288783.00	275448.00	94227.00	93606.00
C33 H53 O11	1.00	1.00	128888.00	87696.00	165342.00	113122.00	117183.00	457405.00	90218.00	135339.00	1.00	22617.00	173431.00	75391.00	1.00	1.00	76444.00	55815.00	134693.00	73526.00	238614.00	56895.00	1.00	20567.00	68237.00	46493.00	276025.00	102036.00	449843.00	515730.00	100310.00	286283.00	166609.00	49140.00	45502.00	149950.00	1.00	21082.00	143764.00	79361.00	94355.00	33087.00	138187.00	42181.00	1.00	1.00	22847.00	23600.00	48016.00	33578.00	101739.00	51841.00	284954.00	73646.00
Polygonolide	76265.00	75816.00	172370.00	165454.00	128111.00	122946.00	153608.00	146268.00	129956.00	127996.00	125003.00	127989.00	317556.00	314996.00	138639.00	129041.00	145534.00	151389.00	104607.00	106904.00	169582.00	163188.00	84646.00	83895.00	70223.00	66607.00	335946.00	366054.00	153760.00	161469.00	211512.00	217869.00	102265.00	99799.00	123541.00	114026.00	69861.00	64719.00	222074.00	234385.00	212585.00	211574.00	225738.00	219926.00	63467.00	47318.00	117305.00	110008.00	149005.00	153543.00	125659.00	122881.00	173329.00	186843.00
Erythromycin D	1.00	1.00	69147.00	48073.00	231304.00	148074.00	110548.00	381291.00	129792.00	139992.00	26223.00	36250.00	169239.00	74569.00	1.00	1.00	49899.00	38700.00	181629.00	102785.00	162004.00	39727.00	27310.00	27461.00	55663.00	41391.00	160807.00	63878.00	303710.00	416113.00	93137.00	222831.00	209158.00	68644.00	68060.00	162800.00	1.00	28597.00	132144.00	70672.00	66571.00	25288.00	65844.00	28322.00	1.00	1.00	22072.00	25981.00	55221.00	37881.00	123888.00	62315.00	322229.00	96150.00
C29 H55 N8 O6	370252.00	373089.00	382327.00	389084.00	386462.00	382552.00	388591.00	371377.00	388901.00	386354.00	389953.00	346315.00	345657.00	369940.00	378444.00	376812.00	377879.00	377287.00	359166.00	374975.00	365285.00	372595.00	381898.00	372641.00	366465.00	369932.00	374247.00	384465.00	376311.00	375205.00	378559.00	379661.00	378877.00	383564.00	386116.00	382910.00	381771.00	379487.00	388429.00	381238.00	402958.00	414759.00	380694.00	381431.00	381810.00	375402.00	388339.00	381280.00	379012.00	390708.00	386128.00	375647.00	373065.00	380713.00
Chloranil	358403.00	354892.00	337662.00	342125.00	353693.00	347491.00	363189.00	357437.00	332135.00	335521.00	373364.00	365762.00	356122.00	355932.00	371136.00	368242.00	364458.00	365302.00	325040.00	340243.00	332931.00	337707.00	387773.00	392535.00	388723.00	389811.00	341104.00	354991.00	345546.00	344240.00	353887.00	369036.00	361239.00	357263.00	379169.00	373981.00	389472.00	381846.00	355196.00	336968.00	353382.00	366799.00	341095.00	351260.00	377097.00	391361.00	368563.00	363610.00	369645.00	372149.00	390225.00	392210.00	356422.00	355581.00
Lauryl hydrogen sulfate	268894.00	260773.00	290741.00	295462.00	292559.00	312327.00	305845.00	305574.00	292408.00	291632.00	286541.00	293567.00	279980.00	289173.00	300533.00	301513.00	297628.00	299242.00	301578.00	303481.00	304255.00	301496.00	296282.00	294252.00	297073.00	309631.00	310162.00	295537.00	324710.00	320259.00	304985.00	305729.00	306637.00	296450.00	292430.00	293981.00	284665.00	293848.00	308674.00	313918.00	310982.00	303715.00	358163.00	334110.00	296013.00	287848.00	273733.00	267192.00	272512.00	280041.00	292442.00	301244.00	303873.00	291863.00
N-(4-Hydroxyphenyl)propanamide	226566.00	228268.00	274062.00	275172.00	293213.00	287153.00	276034.00	268095.00	296860.00	295209.00	353633.00	353909.00	265684.00	264748.00	318213.00	306274.00	263782.00	261029.00	273701.00	280226.00	242599.00	237160.00	306726.00	294930.00	258685.00	255850.00	277335.00	296691.00	274937.00	280116.00	264103.00	267484.00	288152.00	285844.00	282297.00	268290.00	306490.00	285521.00	295918.00	279061.00	291144.00	292403.00	255439.00	273663.00	249509.00	259953.00	320848.00	328996.00	319227.00	317505.00	352069.00	344289.00	312140.00	313201.00
PS(20:1(11Z)/0:0) Esi-9.493003	219497.00	221180.00	146787.00	150141.00	197710.00	193108.00	201075.00	226343.00	159890.00	167862.00	269035.00	268094.00	178753.00	184341.00	369300.00	362824.00	225765.00	222915.00	213056.00	204591.00	253510.00	240238.00	294862.00	298098.00	357470.00	363537.00	211037.00	197471.00	234599.00	261272.00	279264.00	297968.00	193456.00	185828.00	213908.00	224953.00	284107.00	275456.00	213048.00	205390.00	201223.00	194945.00	196812.00	188752.00	306313.00	308397.00	192002.00	192606.00	195683.00	193806.00	351268.00	342153.00	245314.00	225527.00
C33 H55 O9	1.00	1.00	92182.00	42641.00	119517.00	78841.00	84785.00	373880.00	28038.00	48262.00	1.00	1.00	91983.00	28421.00	1.00	1.00	18090.00	17001.00	112766.00	50317.00	114073.00	15788.00	1.00	1.00	16851.00	1.00	137511.00	41597.00	282110.00	295120.00	46622.00	169688.00	103550.00	23409.00	24150.00	95313.00	1.00	1.00	77223.00	35219.00	38711.00	11891.00	54563.00	11760.00	1.00	1.00	1.00	1.00	23343.00	12226.00	46577.00	17713.00	174972.00	33657.00
Indoxylsulfuric acid	121637.00	123591.00	115821.00	119551.00	225175.00	221315.00	115236.00	112143.00	89066.00	88311.00	76902.00	77051.00	58359.00	60191.00	232937.00	234436.00	108361.00	110181.00	122654.00	129282.00	171326.00	172235.00	117218.00	108834.00	41789.00	43728.00	144925.00	141640.00	338618.00	325612.00	144226.00	147754.00	203989.00	201313.00	116493.00	109853.00	101211.00	93283.00	96701.00	95207.00	152426.00	156609.00	177487.00	182497.00	180200.00	183876.00	192173.00	184744.00	102885.00	99534.00	82652.00	80806.00	81831.00	82541.00
Alpha-D-Fucose	170555.00	175729.00	221781.00	208890.00	299885.00	309311.00	269156.00	266234.00	230376.00	230637.00	226179.00	214950.00	236192.00	246568.00	194594.00	190623.00	231679.00	238464.00	284349.00	283283.00	322389.00	314072.00	195631.00	200612.00	221635.00	224065.00	280803.00	281137.00	233512.00	230859.00	264180.00	268393.00	320480.00	318257.00	344207.00	342180.00	196917.00	204847.00	362494.00	348039.00	214696.00	208210.00	296374.00	284178.00	218434.00	218975.00	353613.00	346693.00	297678.00	277598.00	299816.00	298986.00	274952.00	267523.00
Orthothymotinic Acid	354350.00	351093.00	357083.00	358149.00	368068.00	366485.00	340296.00	332818.00	353985.00	353688.00	352445.00	350170.00	19581.00	338269.00	326673.00	332412.00	322600.00	316773.00	327904.00	324270.00	328373.00	340914.00	346574.00	335562.00	335032.00	333943.00	336650.00	342379.00	59557.00	343452.00	346791.00	347067.00	356285.00	360123.00	337600.00	362393.00	347027.00	338262.00	350200.00	321572.00	317760.00	340635.00	318271.00	339130.00	331679.00	343423.00	340329.00	353778.00	347337.00	343240.00	345691.00	332458.00	342615.00	351131.00
6Z-hexadecenoic acid	12435.00	12678.00	1.00	1.00	11965.00	1.00	1.00	63524.00	21885.00	32702.00	1.00	1.00	13496.00	1.00	1.00	1.00	11697.00	1.00	28724.00	1.00	102942.00	1.00	10511.00	11716.00	21979.00	13893.00	147990.00	35905.00	260730.00	291425.00	17294.00	68378.00	14336.00	1.00	1.00	12228.00	12123.00	12214.00	102779.00	38802.00	79728.00	21594.00	129041.00	27875.00	1.00	1.00	1.00	1.00	14238.00	9484.00	21254.00	11423.00	325434.00	49347.00
C33 H50 N S	166694.00	96662.00	255897.00	239375.00	520239.00	439997.00	274659.00	1.00	470004.00	519852.00	405510.00	159141.00	183133.00	235141.00	196422.00	44959.00	194863.00	109916.00	577013.00	659559.00	467667.00	454169.00	500852.00	416900.00	549216.00	193177.00	578991.00	347468.00	1.00	1.00	387437.00	426225.00	580955.00	535576.00	189030.00	240892.00	65619.00	329932.00	471482.00	932673.00	211016.00	299576.00	419681.00	149661.00	320973.00	45245.00	332016.00	138393.00	416064.00	248119.00	313199.00	302456.00	1.00	551375.00
C31 H59 N16 O4 S	1.00	1.00	77246.00	59855.00	212134.00	150983.00	128424.00	406914.00	84147.00	111454.00	21564.00	31613.00	155211.00	86857.00	17760.00	17149.00	36923.00	31334.00	172321.00	100919.00	142079.00	44626.00	20466.00	19058.00	46568.00	35585.00	138670.00	55601.00	255567.00	320156.00	91018.00	198678.00	192961.00	74613.00	67947.00	144709.00	12934.00	19432.00	114380.00	68089.00	57490.00	26274.00	74046.00	23348.00	13399.00	14164.00	31334.00	33205.00	71662.00	60548.00	74712.00	46096.00	265906.00	87405.00
Glycolic acid	158647.00	163957.00	367442.00	349364.00	257005.00	249970.00	243882.00	262113.00	155532.00	154069.00	143732.00	151652.00	194050.00	198524.00	146759.00	147533.00	160919.00	159496.00	246062.00	238926.00	281615.00	263673.00	161547.00	161087.00	136855.00	139994.00	208320.00	202511.00	239428.00	223918.00	230171.00	222306.00	206083.00	216572.00	192231.00	197260.00	144147.00	157248.00	236710.00	248815.00	216745.00	206252.00	251799.00	244739.00	166306.00	156990.00	246476.00	249557.00	209719.00	211228.00	165985.00	167776.00	252428.00	241482.00
C25 H46 N3 O4	1419.00	1.00	20407.00	4821.00	69874.00	25609.00	40240.00	356986.00	12269.00	28537.00	1.00	1.00	40950.00	6068.00	1.00	1.00	1809.00	1994.00	56275.00	12962.00	54693.00	4189.00	3010.00	1.00	3001.00	1.00	74013.00	12342.00	219555.00	240824.00	14479.00	89340.00	53250.00	4638.00	3374.00	37059.00	1278.00	1816.00	35120.00	11175.00	11975.00	1.00	19509.00	1.00	1156.00	272.00	1.00	1.00	3596.00	1.00	12298.00	6895.00	118424.00	10695.00
L-Glyceric acid	373073.00	383950.00	205784.00	200301.00	157829.00	154639.00	214622.00	209634.00	248969.00	253004.00	333674.00	349087.00	252357.00	250709.00	371376.00	383103.00	370816.00	367673.00	225718.00	223308.00	220488.00	221721.00	399471.00	387183.00	386948.00	386629.00	208471.00	205814.00	202306.00	202923.00	238300.00	237459.00	205569.00	215691.00	271144.00	272133.00	363860.00	376510.00	234185.00	239095.00	247630.00	243403.00	232388.00	227074.00	386432.00	380658.00	268769.00	264316.00	259111.00	269577.00	352434.00	366166.00	214068.00	211467.00
L-Histidine	214657.00	222731.00	308892.00	302765.00	265324.00	276418.00	290443.00	285723.00	314396.00	307865.00	308804.00	327711.00	292566.00	298945.00	254397.00	259972.00	240363.00	248395.00	328094.00	339216.00	292104.00	294528.00	260810.00	251964.00	233462.00	233613.00	302126.00	306703.00	325880.00	328467.00	286678.00	277471.00	272296.00	283140.00	268349.00	282623.00	250345.00	260186.00	323654.00	323332.00	331212.00	316580.00	303385.00	297029.00	278076.00	271821.00	266947.00	281849.00	279201.00	293127.00	240443.00	238131.00	315583.00	311178.00
4,4'-Sulfonyldiphenol	353959.00	356687.00	35757.00	33916.00	37611.00	35197.00	65782.00	68381.00	142390.00	148318.00	295901.00	298535.00	146833.00	146845.00	342100.00	341466.00	288820.00	298651.00	70974.00	74113.00	68944.00	70434.00	344068.00	344131.00	274945.00	277705.00	66362.00	64902.00	74058.00	74259.00	106196.00	109154.00	55778.00	57443.00	121702.00	131272.00	266501.00	281687.00	102537.00	94749.00	124414.00	114359.00	100456.00	93981.00	311343.00	302465.00	96028.00	98700.00	133118.00	130399.00	261948.00	254346.00	72009.00	71605.00
C33 H55 O12	11051.00	13256.00	99606.00	65957.00	83698.00	51859.00	83913.00	299069.00	69536.00	98445.00	17148.00	23039.00	117244.00	59603.00	17319.00	18198.00	80463.00	64379.00	102920.00	55781.00	188225.00	44104.00	21116.00	22096.00	62939.00	48504.00	190411.00	73420.00	324426.00	376313.00	82464.00	213229.00	110977.00	37980.00	35462.00	83366.00	12876.00	22603.00	112073.00	71882.00	70683.00	30850.00	98086.00	37090.00	13366.00	15529.00	20372.00	22008.00	30509.00	24276.00	78875.00	45612.00	231074.00	58155.00
Chloranil Esi-0.84400064	279874.00	296822.00	299166.00	291584.00	309538.00	316831.00	313858.00	319651.00	300771.00	281711.00	315596.00	315057.00	322652.00	329052.00	329223.00	332450.00	328562.00	337581.00	329103.00	340499.00	344801.00	339201.00	325593.00	324075.00	321955.00	324675.00	324189.00	321731.00	318272.00	311356.00	318946.00	323968.00	324002.00	330819.00	329317.00	340558.00	312348.00	331084.00	331034.00	336168.00	341439.00	330958.00	335994.00	333530.00	331649.00	328663.00	316963.00	331471.00	318852.00	318427.00	321572.00	337776.00	324564.00	326476.00
C35 H59 O12	1.00	1.00	64713.00	34549.00	54940.00	32179.00	63048.00	260413.00	44583.00	68154.00	1.00	11049.00	80662.00	22800.00	1.00	1.00	49652.00	34130.00	82452.00	34241.00	142913.00	26316.00	12362.00	12588.00	43515.00	28983.00	157364.00	51455.00	300266.00	330914.00	50411.00	178835.00	90080.00	20598.00	16072.00	70194.00	1.00	14540.00	91542.00	43617.00	47925.00	15184.00	71714.00	17033.00	1.00	1.00	1.00	1.00	14264.00	1.00	72981.00	34525.00	170701.00	37528.00
Phytuberin Esi-13.752009	32516.00	35213.00	293323.00	162620.00	342807.00	270317.00	343501.00	268793.00	270084.00	303489.00	24621.00	71109.00	344523.00	176696.00	7357.00	15698.00	86349.00	36352.00	409764.00	252767.00	396007.00	97185.00	95400.00	120046.00	92080.00	108180.00	392690.00	250856.00	396866.00	247612.00	197952.00	344617.00	377441.00	98267.00	126417.00	314300.00	16691.00	84298.00	327840.00	216646.00	207371.00	100465.00	260892.00	83195.00	30240.00	11992.00	41004.00	59960.00	185881.00	171610.00	207654.00	150434.00	461836.00	190368.00
C9 O8 S2	313086.00	319052.00	257766.00	257143.00	268632.00	268663.00	282784.00	279160.00	272620.00	272157.00	309871.00	315616.00	285841.00	277193.00	311641.00	317802.00	306453.00	312422.00	256653.00	265584.00	269074.00	268602.00	328736.00	330329.00	323898.00	328299.00	273979.00	280819.00	273278.00	262023.00	275738.00	278506.00	285630.00	277663.00	307086.00	307344.00	317153.00	317724.00	279280.00	268487.00	274496.00	292164.00	269126.00	274410.00	314272.00	332399.00	283131.00	292151.00	299251.00	298467.00	332155.00	330966.00	270765.00	281958.00
C30 H49 N6 O9	1.00	1.00	130786.00	54263.00	137577.00	91709.00	137270.00	296151.00	73722.00	104023.00	1.00	17351.00	141859.00	47467.00	1.00	1.00	34642.00	26073.00	182435.00	98784.00	228527.00	42935.00	19978.00	23035.00	47832.00	36604.00	186052.00	83447.00	324170.00	305436.00	49613.00	139818.00	168781.00	38685.00	28670.00	111460.00	1.00	21213.00	101713.00	68807.00	79530.00	31067.00	99896.00	26348.00	1.00	1.00	16333.00	17102.00	35908.00	18760.00	59721.00	41211.00	208680.00	56104.00
C33 H53 N16 O3	1.00	1.00	59135.00	35194.00	108558.00	70980.00	86672.00	393266.00	87494.00	105075.00	1.00	25910.00	124674.00	40114.00	1.00	1.00	27589.00	19341.00	128213.00	64471.00	131299.00	29029.00	17326.00	15052.00	43286.00	26817.00	130821.00	52943.00	326960.00	389982.00	75295.00	186857.00	142868.00	45480.00	24430.00	93815.00	1.00	1.00	108991.00	62362.00	60007.00	20636.00	74827.00	19283.00	1.00	1.00	1.00	1.00	29107.00	16029.00	71662.00	36331.00	230950.00	70025.00
C5 H2 N3 O S	327262.00	329636.00	36666.00	37563.00	45596.00	51870.00	130498.00	132468.00	120328.00	124064.00	284220.00	293651.00	89288.00	90262.00	276117.00	276957.00	234777.00	257442.00	61013.00	58096.00	93874.00	62543.00	300380.00	310367.00	296152.00	278232.00	61895.00	59135.00	109373.00	83798.00	127417.00	145608.00	70636.00	54753.00	124311.00	127681.00	307605.00	277637.00	89650.00	83871.00	93365.00	99021.00	95393.00	112697.00	292562.00	316028.00	108981.00	110689.00	118808.00	116740.00	294813.00	288413.00	93233.00	93609.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate	100305.00	100403.00	132393.00	134136.00	168658.00	167229.00	142161.00	132141.00	146273.00	140905.00	204944.00	201911.00	175009.00	182630.00	171910.00	180619.00	200923.00	199556.00	141854.00	154329.00	136615.00	141634.00	168475.00	165039.00	193462.00	202151.00	259419.00	260788.00	173241.00	173415.00	120305.00	117341.00	209385.00	200594.00	171801.00	165646.00	196205.00	200704.00	135747.00	137921.00	131085.00	126395.00	211994.00	212499.00	560586.00	537355.00	167429.00	156223.00	127209.00	120449.00	156248.00	162464.00	139636.00	133610.00
LysoPE(0:0/18:0)	14511.00	14526.00	66181.00	53671.00	75204.00	60665.00	74706.00	174348.00	48941.00	56908.00	20593.00	25830.00	72706.00	57142.00	24910.00	24751.00	32583.00	30574.00	82473.00	58914.00	114619.00	52863.00	19702.00	20733.00	29017.00	24078.00	94685.00	54218.00	239504.00	255270.00	48964.00	75750.00	86346.00	60690.00	39481.00	54794.00	20753.00	25530.00	57825.00	42181.00	55157.00	40890.00	60795.00	34729.00	21356.00	22888.00	36982.00	36143.00	50168.00	50308.00	36640.00	25577.00	124941.00	54318.00
18-hydroxy-9R,10S-epoxy-stearic acid	101956.00	96687.00	36142.00	40547.00	31053.00	43565.00	53479.00	71264.00	53563.00	62229.00	73183.00	78164.00	44187.00	39211.00	103412.00	101655.00	117638.00	112687.00	80503.00	59377.00	103150.00	54241.00	81361.00	87388.00	141497.00	131162.00	109525.00	74220.00	230135.00	274130.00	124248.00	181995.00	60083.00	30368.00	42574.00	51030.00	114052.00	114869.00	178832.00	138973.00	112507.00	85094.00	160415.00	125961.00	92618.00	99927.00	25809.00	36173.00	57560.00	52209.00	112797.00	100569.00	244908.00	128649.00
LysoPE(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0)	1.00	1.00	44090.00	41129.00	30735.00	26412.00	40033.00	49588.00	36406.00	36544.00	1.00	1.00	36260.00	33206.00	1.00	1.00	1.00	1.00	43941.00	37416.00	55797.00	40763.00	1.00	1.00	1.00	1.00	67496.00	52984.00	81886.00	74714.00	18458.00	19257.00	54259.00	46614.00	20287.00	19942.00	1.00	1.00	34851.00	34704.00	41288.00	38711.00	38266.00	30828.00	1.00	1.00	33459.00	31254.00	36344.00	34470.00	1.00	1.00	32559.00	23883.00
Acetylenedicarboxylate Esi-13.747005	1551224.00	1472073.00	259179.00	1401505.00	96558.00	592361.00	540573.00	736848.00	158815.00	352607.00	1.00	176957.00	203338.00	527751.00	1454876.00	889481.00	461805.00	542455.00	671940.00	942849.00	730069.00	833431.00	1.00	316653.00	419956.00	1092396.00	526021.00	614867.00	658453.00	562513.00	1.00	1182057.00	1209895.00	965167.00	661415.00	650728.00	861973.00	318789.00	194252.00	210538.00	605802.00	2321870.00	257380.00	3888612.00	263243.00	642326.00	323455.00	1082967.00	121758.00	309144.00	245001.00	407375.00	308372.00	1751797.00
BIX01294	233454.00	233115.00	238382.00	243758.00	241735.00	241053.00	233304.00	226555.00	240393.00	230645.00	231252.00	227453.00	223925.00	225789.00	235086.00	243393.00	222578.00	246363.00	231494.00	233148.00	225127.00	241141.00	242014.00	243221.00	232410.00	241908.00	240382.00	246881.00	238069.00	241421.00	244195.00	238730.00	235804.00	247055.00	249204.00	242220.00	254164.00	247022.00	246159.00	242493.00	247958.00	247968.00	246198.00	236972.00	248305.00	247343.00	240040.00	238797.00	247139.00	236158.00	237696.00	249127.00	235977.00	236602.00
C34 H54 N2 O14	11047.00	10854.00	58173.00	30252.00	111113.00	59779.00	66422.00	295942.00	31286.00	50069.00	1.00	11693.00	78103.00	23481.00	11231.00	11567.00	24351.00	19629.00	74134.00	31307.00	75031.00	14496.00	11613.00	12451.00	18330.00	13511.00	101863.00	30452.00	194740.00	217432.00	44557.00	140945.00	72069.00	17201.00	21372.00	89550.00	9187.00	16243.00	61465.00	30744.00	30970.00	11235.00	33153.00	9544.00	1.00	1.00	1.00	1.00	22264.00	13372.00	46487.00	29292.00	172351.00	34071.00
C33 H12 N10 O27	102623.00	96375.00	91691.00	113796.00	87462.00	103498.00	94821.00	103569.00	109323.00	97379.00	81636.00	98407.00	90025.00	94343.00	101122.00	104594.00	80907.00	82995.00	60068.00	85996.00	63397.00	73379.00	100666.00	93474.00	88858.00	60410.00	95438.00	92258.00	75739.00	93320.00	106614.00	102529.00	70388.00	48842.00	71075.00	91212.00	80129.00	100382.00	113232.00	98956.00	91636.00	90542.00	103544.00	101923.00	123030.00	91758.00	271809.00	109021.00	82917.00	87775.00	85110.00	101358.00	114283.00	99229.00
Lys Pro His	226848.00	231762.00	71877.00	66815.00	39475.00	35395.00	53933.00	77799.00	127016.00	133463.00	165005.00	151425.00	72971.00	72247.00	256235.00	247865.00	233869.00	226421.00	139185.00	118659.00	226461.00	156680.00	235076.00	237821.00	331124.00	328734.00	244012.00	185100.00	371141.00	386643.00	219792.00	253246.00	59072.00	51314.00	79889.00	76958.00	225507.00	206814.00	453948.00	397186.00	364907.00	317764.00	447285.00	396798.00	121454.00	124302.00	67195.00	66333.00	98977.00	89117.00	172844.00	160703.00	376769.00	254948.00
2,4-Diamino-6,7-dimethoxyquinazoline	188784.00	183409.00	75281.00	80432.00	140771.00	132041.00	145490.00	134846.00	137821.00	136693.00	131617.00	125576.00	89863.00	88051.00	101865.00	101185.00	197050.00	195020.00	108398.00	108178.00	196989.00	203338.00	144142.00	148085.00	196729.00	193316.00	112758.00	110266.00	291960.00	296750.00	110687.00	116887.00	108474.00	103424.00	152123.00	151463.00	278885.00	267199.00	238398.00	238965.00	193211.00	175869.00	284987.00	284181.00	160141.00	173561.00	155940.00	145820.00	140792.00	140494.00	290595.00	286485.00	203036.00	206096.00
(S)-ACPA	240516.00	246535.00	237506.00	235993.00	227661.00	221154.00	245769.00	241268.00	256205.00	252700.00	290079.00	295580.00	258137.00	259921.00	279865.00	280494.00	226242.00	230104.00	264116.00	263682.00	226510.00	211408.00	292120.00	286743.00	249036.00	246257.00	220688.00	234720.00	264451.00	268042.00	252567.00	247982.00	222270.00	224694.00	231390.00	217016.00	258836.00	247480.00	248497.00	257923.00	283472.00	265149.00	249343.00	248652.00	251964.00	243174.00	250556.00	237867.00	233166.00	241377.00	257073.00	237939.00	262893.00	262854.00
C23 H42 N7 O2	1.00	1.00	22780.00	1.00	47199.00	23458.00	42211.00	247710.00	20070.00	32339.00	1.00	1.00	39053.00	1.00	1.00	1.00	1.00	1.00	46194.00	21073.00	82395.00	10481.00	1.00	1.00	1.00	1.00	85426.00	24439.00	168978.00	179122.00	14256.00	60838.00	52851.00	9717.00	1.00	32262.00	1.00	1.00	37779.00	18770.00	20301.00	1.00	33415.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	15144.00	1.00	97461.00	14934.00
3?,15?-Dihydroxy-5?-cholan-24-oic Acid	22531.00	21036.00	1.00	1.00	31773.00	31441.00	25487.00	24837.00	1.00	1.00	1.00	1.00	1.00	1.00	71250.00	77295.00	231980.00	237044.00	57706.00	58665.00	217799.00	209617.00	43919.00	42427.00	47430.00	48437.00	24220.00	23466.00	134798.00	138555.00	31638.00	28668.00	177512.00	168789.00	13506.00	11150.00	52806.00	49921.00	53390.00	54375.00	10292.00	1.00	1.00	1.00	65516.00	62998.00	37099.00	36018.00	34777.00	35592.00	58261.00	61523.00	61872.00	58128.00
C29 H59 N16 O4 S	1.00	1.00	47263.00	26278.00	109643.00	67293.00	74516.00	298945.00	52939.00	74782.00	1.00	16631.00	100739.00	36127.00	1.00	1.00	25922.00	19612.00	88456.00	46965.00	89798.00	19015.00	13703.00	13621.00	34565.00	24184.00	98842.00	34242.00	238340.00	258693.00	52269.00	154576.00	104868.00	28182.00	27235.00	103243.00	1.00	15514.00	70583.00	35418.00	36325.00	11267.00	41304.00	1.00	1.00	1.00	1.00	11063.00	24768.00	12347.00	79390.00	41617.00	184359.00	41150.00
?-hydroxyisobutyrate	186135.00	189210.00	146610.00	152384.00	304613.00	302321.00	311742.00	321899.00	147107.00	144905.00	150792.00	177872.00	123112.00	43057.00	279883.00	189029.00	687982.00	440845.00	266721.00	169884.00	345621.00	412512.00	289711.00	296784.00	413969.00	243669.00	469976.00	437640.00	430927.00	426243.00	423282.00	653977.00	117803.00	320260.00	229247.00	57403.00	435512.00	469572.00	536139.00	355193.00	357602.00	354389.00	671997.00	632747.00	282178.00	157109.00	491173.00	506243.00	317547.00	345355.00	744134.00	493470.00	583551.00	685528.00
Phytuberin Esi-13.445005	67469.00	64242.00	113379.00	94740.00	135409.00	110033.00	144937.00	1.00	160429.00	187732.00	72346.00	74355.00	161843.00	104140.00	56787.00	59449.00	121441.00	88399.00	255309.00	151056.00	305302.00	133984.00	78865.00	73314.00	119764.00	91012.00	300724.00	142945.00	429591.00	282811.00	204105.00	241204.00	170731.00	93818.00	70662.00	167863.00	60789.00	75233.00	304239.00	193138.00	202828.00	100731.00	234130.00	102031.00	48324.00	49646.00	54759.00	57952.00	64527.00	61843.00	142608.00	109648.00	422253.00	174963.00
C28 H57 N6 O9 S	1.00	1.00	76567.00	41885.00	112687.00	65766.00	81879.00	316683.00	74228.00	96468.00	1.00	1.00	115832.00	36046.00	1.00	1.00	51026.00	32493.00	103940.00	47234.00	144137.00	29881.00	1.00	1.00	45393.00	27157.00	181647.00	75300.00	342578.00	391845.00	70632.00	185296.00	148016.00	31041.00	26328.00	128472.00	1.00	1.00	99131.00	52596.00	56269.00	1.00	96480.00	21205.00	1.00	1.00	1.00	1.00	19647.00	1.00	81374.00	37732.00	192197.00	48890.00
C11 H16 N7 O4	166785.00	165797.00	67574.00	68265.00	118091.00	114665.00	124886.00	127367.00	117158.00	115888.00	99307.00	97909.00	90400.00	89710.00	93472.00	92221.00	162288.00	160192.00	101622.00	107611.00	173264.00	168914.00	103361.00	110048.00	155448.00	159122.00	89547.00	92171.00	258386.00	263254.00	96567.00	97248.00	83957.00	81917.00	119380.00	119792.00	243391.00	234720.00	203849.00	204132.00	161412.00	146442.00	248008.00	243400.00	122025.00	127581.00	111478.00	109338.00	96082.00	95714.00	207547.00	202290.00	159555.00	164813.00
C10 H23 N12 O4	83096.00	85440.00	46071.00	47445.00	105823.00	105855.00	105525.00	108357.00	180429.00	181902.00	257623.00	237004.00	77427.00	76443.00	116326.00	119261.00	123875.00	126340.00	134202.00	141025.00	103308.00	99562.00	170886.00	176007.00	149760.00	142831.00	162498.00	164013.00	104590.00	113289.00	88111.00	90154.00	117586.00	115475.00	131060.00	132810.00	147910.00	156043.00	203372.00	173736.00	122318.00	116625.00	95980.00	99269.00	117373.00	126614.00	174783.00	169325.00	164795.00	165060.00	212713.00	225960.00	202833.00	196253.00
C15 H10 O7 S	29750.00	30782.00	14887.00	16386.00	44200.00	44078.00	138108.00	134764.00	130121.00	124251.00	39852.00	38326.00	22108.00	27373.00	95583.00	95963.00	31196.00	32792.00	242197.00	253520.00	88648.00	87361.00	169691.00	164851.00	42046.00	44732.00	81621.00	82397.00	76711.00	73032.00	46570.00	47693.00	217987.00	215395.00	33444.00	31579.00	115551.00	120545.00	77154.00	81172.00	48100.00	49703.00	43400.00	42245.00	47039.00	50547.00	234321.00	231805.00	75442.00	73147.00	150932.00	147053.00	68222.00	68185.00
C30 H45 N6 O9	20408.00	20408.00	128978.00	111651.00	158282.00	146357.00	177215.00	238139.00	140832.00	151210.00	50421.00	51591.00	138398.00	125250.00	42671.00	39293.00	39501.00	37142.00	214575.00	188587.00	224825.00	147836.00	45690.00	41690.00	51426.00	46973.00	208977.00	154080.00	286933.00	292785.00	105603.00	137106.00	197437.00	156048.00	105635.00	123566.00	36700.00	36242.00	167355.00	153064.00	155711.00	134051.00	142273.00	108885.00	17002.00	18183.00	115531.00	118523.00	141923.00	133906.00	34664.00	28274.00	220257.00	134738.00
13,14-dihydro-15-keto Prostaglandin J2	252570.00	256898.00	93227.00	84358.00	61439.00	53623.00	69439.00	116000.00	145230.00	155552.00	182587.00	167529.00	93987.00	91253.00	287815.00	280133.00	271251.00	263681.00	167001.00	138481.00	270209.00	178773.00	261936.00	267798.00	379077.00	373275.00	286263.00	212715.00	428967.00	453413.00	253767.00	306010.00	85612.00	63921.00	96785.00	100352.00	251742.00	231894.00	522721.00	456064.00	417531.00	358374.00	511586.00	446476.00	138246.00	141438.00	78299.00	77258.00	119387.00	108068.00	199873.00	186305.00	442359.00	293820.00
C39 H67 N6 O11	1.00	1.00	40758.00	19685.00	70917.00	41168.00	71585.00	307924.00	62945.00	95935.00	1.00	14249.00	87564.00	27537.00	1.00	1.00	28609.00	19288.00	95574.00	47508.00	132487.00	23541.00	15963.00	15841.00	41730.00	25503.00	111713.00	38906.00	274359.00	304755.00	47396.00	130149.00	107542.00	28405.00	17255.00	67606.00	1.00	12940.00	93839.00	46374.00	46047.00	16372.00	55033.00	13887.00	1.00	1.00	1.00	1.00	18547.00	1.00	64761.00	31301.00	210643.00	47301.00
Nigakilactone B	190968.00	189580.00	155246.00	156733.00	124491.00	126812.00	105849.00	102081.00	235665.00	224754.00	86281.00	83894.00	75257.00	83077.00	177121.00	178586.00	203575.00	206144.00	86974.00	91539.00	201912.00	207242.00	91925.00	88035.00	188049.00	187090.00	192743.00	199572.00	90604.00	92952.00	179768.00	182451.00	118594.00	116367.00	147643.00	149468.00	200310.00	198895.00	125585.00	130169.00	119036.00	117757.00	119489.00	114349.00	135753.00	134828.00	187456.00	183207.00	209071.00	208383.00	150107.00	151218.00	120538.00	121569.00
N-acetyl-2-carboxy Benzenesulfonamide	136548.00	136810.00	97183.00	100826.00	46646.00	44988.00	29792.00	29494.00	95557.00	90495.00	62643.00	62084.00	105388.00	112989.00	181815.00	181924.00	130743.00	128021.00	49096.00	51062.00	64106.00	62354.00	81369.00	87006.00	61686.00	63795.00	147365.00	158546.00	150028.00	152617.00	251233.00	259399.00	120023.00	120887.00	24979.00	24526.00	109611.00	99376.00	43106.00	41999.00	120610.00	114472.00	198943.00	194923.00	199309.00	209287.00	148089.00	151194.00	66433.00	68554.00	175830.00	172015.00	131472.00	130220.00
C7 H3 N3 O5 S	66751.00	60416.00	31092.00	31364.00	74197.00	80748.00	175735.00	176564.00	152829.00	149046.00	73839.00	68417.00	40823.00	42408.00	148827.00	153998.00	113855.00	113386.00	301643.00	307613.00	187159.00	183907.00	216193.00	222022.00	88884.00	84601.00	137317.00	136491.00	155176.00	153046.00	85536.00	90417.00	275275.00	277625.00	54072.00	57939.00	193905.00	195473.00	137813.00	132703.00	103215.00	94582.00	78504.00	87700.00	90455.00	89965.00	286192.00	277698.00	112247.00	118525.00	198031.00	193025.00	110282.00	120411.00
4-Sulfobenzyl alcohol	327343.00	326342.00	44091.00	47392.00	44588.00	46362.00	76151.00	80086.00	148363.00	144591.00	273212.00	273350.00	155556.00	154064.00	320720.00	331901.00	272613.00	281321.00	88993.00	91460.00	90281.00	83349.00	345222.00	339228.00	286125.00	276183.00	84709.00	75843.00	97678.00	98481.00	124498.00	126187.00	81196.00	80235.00	141710.00	149823.00	275369.00	286276.00	119016.00	108930.00	133908.00	137820.00	116193.00	118234.00	318095.00	307770.00	113700.00	112268.00	146988.00	142021.00	254704.00	256444.00	93599.00	88473.00
4-Heptyloxyphenol	359485.00	372087.00	410048.00	400879.00	405173.00	383595.00	374469.00	350358.00	362848.00	371926.00	390844.00	387152.00	376744.00	391086.00	391651.00	390171.00	407345.00	419563.00	397375.00	440747.00	423780.00	430930.00	406802.00	427434.00	418312.00	424693.00	437758.00	380515.00	421627.00	407061.00	385467.00	376987.00	441049.00	401594.00	428229.00	395292.00	425339.00	435145.00	435952.00	459536.00	462210.00	419781.00	431033.00	434438.00	427077.00	441946.00	433736.00	426250.00	430687.00	421839.00	419732.00	433339.00	452048.00	442069.00
Mecarbinzid	38669.00	36938.00	654120.00	664806.00	753980.00	773456.00	641474.00	634592.00	125242.00	105128.00	48568.00	52536.00	73395.00	77502.00	18537.00	17156.00	43154.00	47225.00	546703.00	557551.00	800114.00	783205.00	20605.00	23662.00	59489.00	53216.00	785379.00	751404.00	638678.00	635943.00	101492.00	484445.00	642630.00	650653.00	126442.00	119274.00	58490.00	54768.00	110887.00	589743.00	103192.00	507391.00	504612.00	495265.00	40722.00	33707.00	694671.00	690154.00	130373.00	139018.00	58865.00	57653.00	717020.00	706710.00
5?-Cholestane-3?,7?,25-triol	14293.00	12180.00	55533.00	29251.00	140840.00	93041.00	73459.00	263751.00	39245.00	59826.00	15995.00	22556.00	98508.00	33105.00	14024.00	13285.00	24937.00	22873.00	81798.00	38880.00	127568.00	24755.00	14318.00	15153.00	32347.00	21697.00	151129.00	51269.00	275747.00	299393.00	48618.00	133152.00	135555.00	35633.00	28653.00	96102.00	13446.00	17662.00	65315.00	34081.00	55100.00	17054.00	54221.00	14923.00	1.00	1.00	11389.00	1.00	21758.00	1.00	42944.00	22166.00	167424.00	44395.00
Alloxydim	71243.00	70799.00	184708.00	171009.00	130912.00	120600.00	15019.00	15984.00	153518.00	152082.00	210194.00	200647.00	149188.00	149883.00	220260.00	217165.00	164748.00	162198.00	110276.00	105083.00	149267.00	125276.00	236353.00	224412.00	139373.00	134126.00	123807.00	107227.00	166818.00	155753.00	116715.00	117921.00	134985.00	128563.00	103699.00	97878.00	107822.00	110647.00	96200.00	94588.00	125103.00	121920.00	143249.00	121535.00	134433.00	126942.00	93371.00	92866.00	1.00	1.00	73172.00	68433.00	68101.00	58518.00
L-Valine	130907.00	133299.00	107361.00	106895.00	179021.00	170298.00	164850.00	163326.00	221641.00	233240.00	270931.00	268990.00	141030.00	139240.00	170166.00	167291.00	196662.00	198819.00	227351.00	228736.00	199865.00	190389.00	208930.00	208026.00	197468.00	202925.00	243177.00	231698.00	179737.00	186640.00	146329.00	148871.00	182935.00	183887.00	194519.00	206759.00	198087.00	210305.00	269830.00	279750.00	196691.00	197159.00	189437.00	186193.00	180469.00	176050.00	267350.00	265140.00	239020.00	242195.00	275020.00	281556.00	264901.00	256064.00
Deoxycholic acid	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11041.00	1.00	1.00	1.00	1.00	1.00	1.00	60176.00	60026.00	220386.00	225773.00	26759.00	24823.00	200786.00	186048.00	66698.00	67714.00	84025.00	84456.00	1.00	1.00	53840.00	52962.00	1.00	1.00	178007.00	170871.00	1.00	1.00	88755.00	89700.00	19594.00	19868.00	1.00	1.00	1.00	1.00	30906.00	31418.00	51524.00	57311.00	21553.00	21068.00	24569.00	25740.00	54760.00	48658.00
Benzal chloride	218822.00	205115.00	86189.00	74585.00	93548.00	89792.00	115009.00	98000.00	140507.00	119492.00	201056.00	211154.00	126965.00	122676.00	196661.00	230636.00	203872.00	212847.00	129143.00	110037.00	110366.00	124526.00	230360.00	246503.00	240039.00	240589.00	110953.00	121631.00	93107.00	109997.00	117069.00	126386.00	95030.00	100137.00	145974.00	142075.00	217643.00	206708.00	111287.00	120891.00	141092.00	136489.00	132573.00	131872.00	216114.00	193562.00	131582.00	131687.00	130708.00	140078.00	226062.00	232965.00	125563.00	122615.00
9,10-epoxy-13-hydroxy-11-octadecenoic acid Esi-11.468996 :1	847416.00	836141.00	264798.00	230794.00	150663.00	132293.00	194256.00	294425.00	474975.00	481534.00	616169.00	584697.00	276471.00	262699.00	993484.00	965621.00	881262.00	851825.00	522989.00	452568.00	861156.00	589464.00	886244.00	867178.00	1206976.00	1174684.00	866788.00	652332.00	1446782.00	1492508.00	751366.00	873781.00	221170.00	173151.00	273048.00	276244.00	800968.00	808419.00	1623451.00	1532240.00	1380975.00	1183782.00	1706126.00	1395199.00	445085.00	418748.00	240264.00	232079.00	319693.00	310016.00	604970.00	561956.00	1358935.00	880684.00
C25 H46 N7 O3	214730.00	142810.00	255983.00	195422.00	486727.00	136191.00	177121.00	294542.00	713838.00	521552.00	179012.00	118462.00	526004.00	193312.00	152883.00	120455.00	173732.00	161007.00	416372.00	345679.00	424555.00	217928.00	159248.00	147119.00	182481.00	170966.00	399051.00	360279.00	1046319.00	171740.00	488018.00	503490.00	306305.00	186907.00	90994.00	383883.00	151388.00	143784.00	675964.00	528546.00	310447.00	256621.00	514039.00	278960.00	137536.00	120527.00	139384.00	103086.00	188809.00	137143.00	198725.00	161623.00	548424.00	524275.00
C32 H61 N3 O11 S	12950.00	15041.00	160551.00	118410.00	171812.00	129935.00	146226.00	438562.00	111251.00	153258.00	22669.00	29660.00	178480.00	115871.00	26709.00	26170.00	77929.00	81542.00	197489.00	122350.00	291457.00	91032.00	31557.00	30304.00	62085.00	65475.00	276399.00	126868.00	435211.00	474386.00	124351.00	270033.00	207741.00	93759.00	83329.00	156316.00	19181.00	28115.00	198560.00	128437.00	124637.00	69338.00	147418.00	54363.00	24054.00	23779.00	54192.00	59361.00	89275.00	80679.00	86806.00	53027.00	347030.00	114738.00
cis,cis-2,4-Dihydroxy-5-methyl-6-oxo-2,4-hexadienoate	199851.00	236633.00	204776.00	214238.00	343432.00	263484.00	280053.00	345777.00	120705.00	386492.00	285690.00	117713.00	86430.00	95028.00	219384.00	199187.00	668917.00	671359.00	187964.00	109427.00	484444.00	404512.00	302048.00	295513.00	411233.00	476169.00	456658.00	479779.00	340474.00	439781.00	626380.00	623412.00	213126.00	210100.00	248425.00	94548.00	463454.00	455014.00	489394.00	507998.00	370935.00	344963.00	644216.00	580443.00	316376.00	316693.00	496060.00	471532.00	357639.00	82616.00	818098.00	708913.00	668096.00	680565.00
C10 H2 N4 O11 S	238805.00	242684.00	134248.00	134257.00	141843.00	145164.00	153256.00	155313.00	167189.00	165873.00	213833.00	209690.00	159942.00	159156.00	229121.00	239144.00	229708.00	241403.00	157495.00	161923.00	170324.00	168294.00	248494.00	252763.00	241894.00	234076.00	155981.00	169653.00	147257.00	146133.00	158164.00	157679.00	177554.00	170321.00	189266.00	202354.00	223932.00	236903.00	166181.00	154920.00	185766.00	173714.00	157368.00	153645.00	236295.00	234806.00	183709.00	175483.00	189117.00	186908.00	230676.00	233121.00	164494.00	151341.00
Gly Asn His	149878.00	158443.00	194925.00	191218.00	166965.00	168924.00	184080.00	187495.00	220307.00	221085.00	206277.00	215379.00	203749.00	205216.00	190491.00	186301.00	151037.00	155201.00	213544.00	219433.00	174800.00	178571.00	210447.00	205713.00	196784.00	191124.00	186107.00	193079.00	248289.00	248446.00	225155.00	232121.00	185400.00	184112.00	196289.00	195038.00	213320.00	207976.00	230047.00	232775.00	227446.00	232866.00	218356.00	228668.00	190689.00	199197.00	204487.00	209017.00	189278.00	199546.00	189388.00	191323.00	239458.00	231244.00
C5 H2 N O2 S2	257173.00	257819.00	213004.00	215358.00	219568.00	219021.00	229603.00	229565.00	219766.00	227107.00	261081.00	253511.00	225814.00	219380.00	251899.00	249233.00	245294.00	237857.00	204567.00	206225.00	224179.00	226958.00	267172.00	270794.00	265089.00	267439.00	219053.00	221923.00	218761.00	225437.00	234997.00	235060.00	230162.00	229189.00	251167.00	243766.00	271497.00	251877.00	225570.00	216480.00	219165.00	231288.00	221162.00	219158.00	260624.00	270818.00	235643.00	234867.00	247157.00	230319.00	258812.00	263941.00	229468.00	221679.00
20?-Dihydroprogesterone glucuronide	41601.00	43508.00	24625.00	23014.00	74810.00	79728.00	72071.00	70452.00	153008.00	149012.00	213494.00	206899.00	46507.00	44568.00	72249.00	71153.00	87554.00	90635.00	113631.00	115547.00	74466.00	74582.00	122115.00	117489.00	107660.00	103492.00	134029.00	131683.00	70778.00	74432.00	50977.00	55226.00	80828.00	80310.00	101396.00	101777.00	105255.00	105986.00	171089.00	168213.00	86445.00	83193.00	68223.00	66581.00	76424.00	78484.00	153083.00	153364.00	137063.00	138306.00	190271.00	192499.00	171892.00	169215.00
L-Lactic acid Esi-1.3829997	1.00	666984.00	1.00	991192.00	1287921.00	1328621.00	1124662.00	1.00	869601.00	880486.00	961796.00	1.00	1.00	650570.00	1.00	653145.00	754876.00	779934.00	771971.00	744397.00	1.00	813479.00	699209.00	672862.00	690650.00	744796.00	1.00	873699.00	532751.00	510244.00	1.00	1.00	869782.00	840517.00	773065.00	1.00	1.00	1.00	565128.00	602711.00	638310.00	618481.00	598161.00	1.00	717425.00	790392.00	1.00	1053112.00	1054092.00	1045170.00	671406.00	744937.00	1.00	699354.00
(+/-)-6-Hydroxy-3-oxo-alpha-ionol Esi-8.743682	53002.00	42303.00	18743.00	40627.00	150224.00	160502.00	14454.00	12077.00	44892.00	1.00	47944.00	54237.00	228125.00	246411.00	51645.00	50519.00	160321.00	202297.00	108352.00	23455.00	71653.00	47794.00	66609.00	59938.00	225466.00	201244.00	30931.00	53815.00	46751.00	41822.00	19348.00	23337.00	187035.00	173851.00	252156.00	236155.00	33834.00	29468.00	11596.00	20997.00	54163.00	64372.00	51776.00	43451.00	17097.00	16577.00	27038.00	20785.00	21394.00	156937.00	63514.00	54326.00	13752.00	12090.00
C25 H46 N7 O3 Esi-13.447006	209853.00	147630.00	249682.00	203428.00	348589.00	108530.00	397267.00	291870.00	708736.00	263112.00	173150.00	123461.00	526356.00	202281.00	152883.00	182179.00	206383.00	161175.00	414191.00	344852.00	422765.00	142006.00	163013.00	132828.00	185373.00	162068.00	415314.00	358345.00	1118826.00	611835.00	178245.00	753961.00	297309.00	184421.00	99796.00	368138.00	150041.00	144116.00	457710.00	635393.00	310447.00	174695.00	649485.00	279038.00	135449.00	139450.00	139219.00	103086.00	188809.00	138131.00	200806.00	161845.00	542919.00	223224.00
C31 H52 N5 O11	1.00	1.00	30395.00	11427.00	76515.00	40014.00	82967.00	262623.00	30532.00	49470.00	1.00	1.00	47237.00	11616.00	1.00	1.00	1.00	1.00	114913.00	47357.00	133128.00	20555.00	1.00	1.00	12986.00	1.00	89800.00	29818.00	151757.00	154919.00	20807.00	77060.00	82623.00	16745.00	10336.00	51536.00	1.00	1.00	63079.00	31802.00	36547.00	1.00	42634.00	1.00	1.00	1.00	1.00	1.00	13139.00	1.00	24403.00	10156.00	110185.00	18865.00
C5 H9 Cl2 O3	195416.00	208756.00	233871.00	232863.00	293600.00	289711.00	261027.00	258972.00	221323.00	223152.00	273722.00	272832.00	182296.00	185252.00	201600.00	213795.00	257043.00	256158.00	199819.00	201637.00	229161.00	220299.00	219973.00	225152.00	221779.00	228747.00	226718.00	213836.00	142481.00	131562.00	148729.00	149752.00	233855.00	210910.00	203135.00	217824.00	129385.00	138547.00	158430.00	159779.00	175117.00	158323.00	155109.00	155399.00	232096.00	217017.00	272615.00	276946.00	267166.00	263528.00	211261.00	219838.00	190166.00	199344.00
2-methylene-4-oxo-pentanedioic acid Esi-1.2760007	711434.00	408450.00	962260.00	559835.00	639419.00	1062565.00	993820.00	990866.00	849232.00	515381.00	953878.00	893270.00	358692.00	379221.00	411575.00	663131.00	763879.00	446950.00	430862.00	763545.00	822971.00	800406.00	757436.00	776835.00	782320.00	772021.00	861726.00	861653.00	634165.00	647942.00	659890.00	671096.00	913056.00	488004.00	871619.00	869497.00	323188.00	308897.00	377952.00	638934.00	673843.00	1.00	647817.00	367898.00	443877.00	814858.00	984959.00	983139.00	565067.00	908669.00	801337.00	1.00	452589.00	455743.00
C19 H34 N7 O	1.00	1.00	29179.00	17199.00	42944.00	34643.00	41552.00	221977.00	24964.00	31306.00	1.00	1.00	37363.00	18287.00	1.00	1.00	14038.00	10952.00	54069.00	29981.00	61593.00	17022.00	14509.00	14982.00	15317.00	11577.00	72974.00	32414.00	152308.00	172873.00	21798.00	64676.00	55369.00	16874.00	17040.00	39666.00	1.00	13559.00	43092.00	28857.00	27944.00	14795.00	37346.00	13332.00	1.00	1.00	1.00	1.00	17712.00	16352.00	25497.00	18504.00	101813.00	27110.00
C27 H53 N16 O3 S	1.00	1.00	62508.00	35215.00	162352.00	112692.00	82410.00	297529.00	90526.00	93852.00	1.00	20687.00	123105.00	46135.00	1.00	1.00	35654.00	25488.00	120799.00	57753.00	109695.00	25859.00	1.00	1.00	38088.00	31260.00	129800.00	49857.00	270221.00	319822.00	70847.00	193950.00	148176.00	39541.00	34213.00	137451.00	1.00	15102.00	87231.00	47423.00	63792.00	1.00	46535.00	1.00	1.00	1.00	1.00	1.00	48885.00	26355.00	102569.00	38743.00	295153.00	59881.00
C28 H55 N19 O2 S	10823.00	11382.00	47865.00	34209.00	137333.00	99521.00	70490.00	229221.00	51584.00	67777.00	18723.00	25728.00	97814.00	55292.00	17605.00	17280.00	35172.00	32389.00	99803.00	57719.00	84667.00	27614.00	17228.00	18870.00	41400.00	33355.00	78600.00	34135.00	173123.00	213287.00	60651.00	135675.00	109810.00	43276.00	45141.00	96597.00	13752.00	21088.00	65558.00	41061.00	33682.00	16539.00	40708.00	14650.00	16963.00	17035.00	21019.00	22148.00	48507.00	39316.00	64197.00	43427.00	175342.00	55302.00
C45 H79 N3 O13	1.00	1.00	130040.00	67744.00	187277.00	114826.00	155446.00	306743.00	97541.00	186197.00	1.00	1.00	214464.00	81627.00	1.00	1.00	63678.00	43901.00	251861.00	127195.00	246813.00	59598.00	1.00	1.00	69709.00	46584.00	197779.00	99697.00	626184.00	283380.00	77432.00	266317.00	253031.00	77183.00	46685.00	126720.00	1.00	1.00	209203.00	120413.00	118710.00	39810.00	137448.00	31621.00	1.00	1.00	26466.00	28476.00	58975.00	32880.00	91440.00	46113.00	475081.00	111948.00
C5 H6 O5 S3	211744.00	218775.00	173421.00	171939.00	180516.00	178409.00	187726.00	187124.00	189339.00	178831.00	203274.00	206571.00	183606.00	189612.00	214202.00	228501.00	228009.00	226962.00	189612.00	186866.00	195179.00	198171.00	249653.00	235235.00	235014.00	228999.00	190456.00	196423.00	187152.00	181928.00	188105.00	195129.00	193621.00	197195.00	211724.00	218171.00	229358.00	226108.00	194277.00	191898.00	201603.00	204633.00	195269.00	192665.00	227772.00	237297.00	193615.00	203238.00	200980.00	202344.00	224455.00	234497.00	191441.00	186510.00
LysoPE(0:0/16:0)	1.00	1.00	42321.00	27219.00	60732.00	34869.00	51217.00	208407.00	32521.00	45181.00	1.00	11401.00	50692.00	22216.00	10075.00	10200.00	23253.00	18882.00	58007.00	31329.00	99356.00	18842.00	10915.00	10516.00	15649.00	13611.00	90171.00	33284.00	193292.00	207877.00	29333.00	61879.00	64141.00	21468.00	15973.00	37418.00	1.00	10449.00	44556.00	22696.00	31975.00	15638.00	41734.00	13715.00	1.00	1.00	11369.00	12643.00	22678.00	14932.00	22137.00	14397.00	106359.00	26530.00
C3 H2 N2 O7	192758.00	196787.00	28071.00	27491.00	33774.00	32682.00	103253.00	101697.00	107908.00	108571.00	211734.00	205285.00	83737.00	84465.00	197845.00	207591.00	204197.00	217558.00	63936.00	60638.00	65505.00	69078.00	220201.00	224396.00	243669.00	234413.00	57751.00	59897.00	86851.00	84779.00	127817.00	126909.00	56480.00	53543.00	124705.00	123065.00	231363.00	230693.00	83047.00	83441.00	98527.00	86511.00	85941.00	92567.00	234351.00	238810.00	99900.00	101897.00	116240.00	119220.00	217809.00	230819.00	85041.00	86883.00
C30 H51 N O5 S	1.00	1.00	33434.00	16375.00	46824.00	24580.00	59054.00	237312.00	33199.00	57292.00	1.00	1.00	12349.00	1.00	1.00	1.00	1.00	1.00	63638.00	27348.00	71875.00	9656.00	1.00	1.00	13942.00	1.00	29291.00	1.00	67052.00	70067.00	12258.00	51294.00	39163.00	1.00	1.00	32825.00	1.00	1.00	63965.00	32571.00	25370.00	1.00	22614.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	26626.00	13428.00	126659.00	26603.00
Purine	332754.00	292093.00	417857.00	402962.00	1.00	390475.00	327153.00	426418.00	536622.00	1.00	1.00	1.00	376338.00	1.00	1.00	1.00	236423.00	1.00	459214.00	445864.00	347771.00	543164.00	1.00	1.00	256852.00	1.00	427907.00	343198.00	294883.00	463267.00	1.00	1.00	303711.00	410257.00	314016.00	403268.00	1.00	375542.00	372054.00	337580.00	59601.00	368724.00	291853.00	410250.00	1.00	316314.00	532760.00	567452.00	451722.00	486495.00	290965.00	1.00	533079.00	338993.00
C13 H2 Cl2 N3 S3	217151.00	225407.00	172003.00	169421.00	181972.00	175863.00	190992.00	191036.00	179453.00	179861.00	208364.00	212708.00	192554.00	183898.00	221490.00	217699.00	213633.00	212451.00	170014.00	175866.00	180565.00	184482.00	227753.00	230399.00	224209.00	232593.00	183283.00	189494.00	175094.00	177185.00	187941.00	195131.00	192901.00	192158.00	204291.00	206634.00	221244.00	215807.00	187261.00	179851.00	187669.00	197927.00	185282.00	183742.00	217327.00	223714.00	193925.00	198498.00	198186.00	202783.00	229444.00	222854.00	183597.00	187700.00
C33 H50 N S Esi-13.752995	169600.00	96662.00	255897.00	239375.00	522833.00	450130.00	274659.00	1.00	470004.00	519852.00	405510.00	159141.00	183133.00	235141.00	196422.00	104706.00	194863.00	109916.00	577013.00	527144.00	467667.00	454169.00	167560.00	416900.00	549216.00	174476.00	578991.00	347468.00	1.00	1.00	387437.00	426225.00	580955.00	535576.00	183784.00	240892.00	65619.00	329932.00	471482.00	720834.00	211016.00	303494.00	419681.00	151598.00	320973.00	45245.00	261168.00	138393.00	416064.00	248119.00	313199.00	301564.00	1.00	551375.00
C10 O2 S	175972.00	166596.00	72711.00	66281.00	81482.00	87415.00	157723.00	168096.00	179994.00	172400.00	196312.00	190241.00	141753.00	140474.00	179139.00	171119.00	173924.00	171631.00	114476.00	124725.00	116473.00	117406.00	168038.00	176766.00	202116.00	199663.00	110386.00	108301.00	125323.00	131361.00	189961.00	173643.00	100813.00	107163.00	180575.00	174014.00	186172.00	185594.00	157671.00	149302.00	136616.00	151325.00	133007.00	143401.00	184669.00	185621.00	152969.00	155034.00	162714.00	166031.00	186170.00	169455.00	154956.00	148488.00
Diethyl Oxalpropionate	168421.00	175587.00	60220.00	60153.00	115516.00	110124.00	131439.00	122563.00	102649.00	95302.00	118419.00	116573.00	76713.00	81573.00	116056.00	109548.00	167418.00	169950.00	109101.00	112422.00	151863.00	156308.00	127626.00	123501.00	180335.00	178093.00	99257.00	97907.00	187268.00	179476.00	103137.00	99971.00	94824.00	93362.00	117610.00	118885.00	206037.00	201676.00	164898.00	168853.00	145951.00	137122.00	218530.00	211248.00	157699.00	154278.00	126025.00	122934.00	120259.00	110185.00	211162.00	220500.00	163947.00	150978.00
4-Pentenoic acid, 3-oxo- Esi-0.8979997	597917.00	584659.00	548966.00	552369.00	616232.00	623582.00	611702.00	615108.00	603850.00	576726.00	572748.00	574460.00	492430.00	499401.00	465337.00	459226.00	563358.00	568069.00	571642.00	537831.00	692749.00	645639.00	553797.00	557851.00	658975.00	603502.00	617639.00	624266.00	518596.00	533919.00	532477.00	541678.00	577221.00	581356.00	582010.00	575355.00	559353.00	583708.00	558117.00	553065.00	550807.00	532231.00	533778.00	549879.00	530935.00	535449.00	583632.00	607977.00	593813.00	593387.00	600032.00	613196.00	591807.00	628751.00
Threonate	257474.00	256698.00	402793.00	387190.00	291242.00	286478.00	283952.00	302840.00	198220.00	188739.00	218299.00	226741.00	232434.00	230985.00	218956.00	208305.00	234877.00	231945.00	321901.00	315639.00	333903.00	316899.00	245836.00	248270.00	234412.00	232236.00	253904.00	254862.00	296361.00	288846.00	280343.00	273355.00	240793.00	247356.00	249949.00	257033.00	204591.00	208024.00	290982.00	293352.00	272788.00	258542.00	313026.00	311348.00	224822.00	222809.00	311788.00	313382.00	263446.00	272158.00	260073.00	262396.00	329991.00	312207.00
MID42031:25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / 25-hydroxy-16,17,23,23,24,24-hexadehyd Esi-13.75401	103816.00	97025.00	577392.00	180689.00	865296.00	505634.00	690556.00	2372250.00	361221.00	468268.00	92243.00	116157.00	727162.00	238305.00	83215.00	78930.00	139853.00	119900.00	916193.00	397855.00	1019703.00	165368.00	168585.00	189925.00	147300.00	188306.00	1064924.00	390483.00	1781158.00	1925704.00	246642.00	862163.00	897168.00	167679.00	183287.00	666746.00	116802.00	162256.00	592842.00	352213.00	298341.00	180375.00	466703.00	144954.00	89774.00	73318.00	117940.00	131348.00	259067.00	266235.00	299095.00	214018.00	1241629.00	283682.00
L-Leucine	148448.00	143822.00	148538.00	156943.00	191922.00	180392.00	177193.00	176314.00	239112.00	234498.00	267752.00	260275.00	156386.00	148483.00	177413.00	174686.00	199500.00	191928.00	187549.00	191061.00	177548.00	189419.00	203712.00	204194.00	192642.00	198474.00	231968.00	242156.00	166772.00	177118.00	186119.00	189914.00	175238.00	185954.00	198303.00	209535.00	206944.00	210998.00	264263.00	255953.00	171539.00	189933.00	194302.00	190267.00	186778.00	196368.00	259244.00	252779.00	239797.00	245498.00	282342.00	269383.00	260791.00	256015.00
C3 H7 N O S	219502.00	224651.00	54959.00	51953.00	63163.00	65766.00	81499.00	84636.00	132671.00	128857.00	191142.00	200593.00	139786.00	138672.00	202240.00	219563.00	204174.00	202446.00	96888.00	100900.00	99055.00	96498.00	223148.00	222168.00	210724.00	208041.00	96162.00	86614.00	96852.00	96884.00	117922.00	119707.00	92237.00	94987.00	129305.00	133624.00	190025.00	200624.00	113132.00	110109.00	123349.00	131245.00	116759.00	113202.00	208755.00	216362.00	104818.00	110422.00	119744.00	123895.00	187173.00	191636.00	94044.00	96697.00
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid	152608.00	151008.00	68191.00	67673.00	77473.00	77075.00	58933.00	60702.00	81128.00	83242.00	117021.00	118142.00	89421.00	98761.00	217753.00	216340.00	133739.00	137747.00	166632.00	164345.00	130623.00	133023.00	154487.00	153752.00	181005.00	187152.00	143572.00	138490.00	148891.00	151470.00	220252.00	220815.00	62593.00	57586.00	111516.00	114729.00	189234.00	190358.00	282821.00	306123.00	197664.00	191200.00	248664.00	245317.00	229538.00	223657.00	70953.00	72892.00	130369.00	132102.00	175757.00	179976.00	242123.00	246334.00
N-Hydroxy-L-phenylalanine	110411.00	116605.00	143019.00	142194.00	134968.00	134551.00	145816.00	148109.00	145589.00	148612.00	178097.00	179802.00	126626.00	140200.00	136386.00	138547.00	185245.00	191816.00	132637.00	128360.00	173643.00	178172.00	159133.00	160711.00	153475.00	148180.00	216871.00	210397.00	213687.00	208960.00	169170.00	170590.00	138810.00	133974.00	165507.00	173887.00	154523.00	161211.00	171403.00	167577.00	200132.00	198726.00	185508.00	182704.00	159711.00	158713.00	191913.00	195683.00	144852.00	151374.00	176657.00	182307.00	159744.00	157523.00
C28 H59 N9 O8 S	1.00	1.00	75876.00	42583.00	124887.00	68013.00	94649.00	338756.00	89244.00	98896.00	1.00	1.00	105108.00	45427.00	1.00	1.00	52232.00	38649.00	138791.00	69594.00	173115.00	32136.00	1.00	1.00	32252.00	23177.00	137227.00	64384.00	266998.00	320666.00	84793.00	178414.00	148554.00	41872.00	36790.00	111089.00	1.00	1.00	48841.00	60718.00	62378.00	14936.00	79178.00	19595.00	1.00	1.00	1.00	1.00	39385.00	26836.00	88691.00	46945.00	245267.00	61238.00
C22 H40 N7 O3	53191.00	53785.00	136221.00	56154.00	151119.00	104228.00	167247.00	214768.00	220030.00	178325.00	55742.00	110121.00	181800.00	123405.00	64023.00	50947.00	84399.00	76849.00	187002.00	159256.00	191554.00	63036.00	64077.00	94712.00	135821.00	160592.00	252910.00	186727.00	179458.00	185432.00	182736.00	216626.00	205692.00	101345.00	49901.00	120863.00	47301.00	62951.00	230281.00	111486.00	172772.00	163201.00	256629.00	83565.00	52402.00	49900.00	82893.00	43364.00	111251.00	84766.00	165899.00	162186.00	274868.00	168316.00
17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-(hydrogensuccinate)	89813.00	91174.00	83179.00	91975.00	129815.00	130470.00	97890.00	78796.00	132533.00	130485.00	126012.00	120327.00	80191.00	86645.00	102275.00	100896.00	117878.00	120736.00	119413.00	120367.00	108044.00	116991.00	93349.00	92408.00	100728.00	106925.00	106348.00	108075.00	114930.00	107312.00	87059.00	79846.00	155176.00	158797.00	143738.00	137918.00	116204.00	119719.00	105329.00	106415.00	86948.00	89901.00	105769.00	103869.00	179134.00	171648.00	130366.00	126490.00	119331.00	118482.00	125840.00	129359.00	83049.00	87442.00
Aspidinol	210904.00	209706.00	204003.00	209130.00	206333.00	212647.00	206373.00	195653.00	210544.00	213993.00	215304.00	215477.00	192536.00	222140.00	207542.00	216095.00	212315.00	205215.00	207683.00	218270.00	210003.00	207782.00	211770.00	211702.00	191351.00	200701.00	199615.00	204777.00	196268.00	198957.00	206143.00	191353.00	208487.00	214073.00	208442.00	210927.00	211832.00	228425.00	205642.00	215419.00	225500.00	215458.00	205330.00	208508.00	216309.00	212764.00	211267.00	206168.00	208064.00	209771.00	196492.00	200072.00	204944.00	207543.00
C25 H35 N18 O7	110202.00	139715.00	94561.00	83511.00	158218.00	84725.00	123754.00	114751.00	58008.00	155759.00	73954.00	103478.00	138507.00	97564.00	153388.00	102292.00	68198.00	74344.00	132514.00	129192.00	148881.00	56562.00	62398.00	64076.00	115098.00	48649.00	181930.00	146992.00	176784.00	141470.00	92214.00	120545.00	169167.00	100163.00	88613.00	142582.00	87831.00	127526.00	142738.00	168570.00	81917.00	55200.00	60195.00	50410.00	65357.00	61300.00	63360.00	58577.00	129855.00	93121.00	146822.00	68481.00	187390.00	94008.00
C25 H46 N7 O3 Esi-14.122991	51866.00	49321.00	106025.00	141699.00	343371.00	222246.00	119825.00	178212.00	91380.00	404063.00	86070.00	47140.00	118996.00	61677.00	49748.00	43368.00	80240.00	64227.00	615545.00	84336.00	471415.00	209951.00	292861.00	53389.00	462310.00	45916.00	576445.00	63568.00	1949799.00	1473018.00	75273.00	185525.00	250018.00	49739.00	82914.00	136554.00	42972.00	55175.00	304614.00	631553.00	294041.00	229965.00	249751.00	41305.00	52920.00	52852.00	41944.00	34852.00	45045.00	44895.00	108675.00	120692.00	424674.00	616427.00
C46 H81 N3 O8 S2	1.00	1.00	31750.00	1.00	46825.00	20387.00	41388.00	275926.00	33273.00	54200.00	1.00	1.00	49816.00	1.00	1.00	1.00	1.00	1.00	103867.00	32332.00	143789.00	1.00	1.00	1.00	24038.00	1.00	102081.00	32911.00	226272.00	241534.00	1.00	55621.00	66873.00	1.00	1.00	25926.00	1.00	1.00	65522.00	31929.00	42400.00	1.00	39347.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	31319.00	1.00	149959.00	26266.00
C39 H83 N2 O16 S	1.00	1.00	32153.00	1.00	47546.00	1.00	57344.00	275518.00	38529.00	71755.00	1.00	1.00	57430.00	1.00	1.00	1.00	1.00	1.00	84058.00	38257.00	129879.00	1.00	1.00	1.00	29741.00	1.00	104842.00	34808.00	198561.00	224278.00	1.00	65571.00	68219.00	1.00	1.00	25207.00	1.00	1.00	63316.00	31444.00	40130.00	1.00	45477.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	37530.00	1.00	159546.00	31826.00
Deoxycholic acid Esi-10.588995	9842.00	1.00	1.00	1.00	25559.00	29284.00	19695.00	17586.00	10107.00	13095.00	1.00	1.00	1.00	1.00	36828.00	34050.00	179925.00	183267.00	21898.00	21847.00	114588.00	107431.00	17391.00	16613.00	22603.00	25515.00	12816.00	10714.00	113936.00	116560.00	23687.00	22514.00	60743.00	62245.00	11391.00	10472.00	31329.00	30657.00	33708.00	35882.00	19375.00	19947.00	13998.00	13845.00	38059.00	37515.00	42460.00	42330.00	26362.00	26613.00	23440.00	21977.00	28109.00	25600.00
D-Serine	129595.00	133409.00	167870.00	157965.00	178476.00	188739.00	165172.00	152084.00	195055.00	189311.00	181455.00	189334.00	153085.00	155917.00	112723.00	122522.00	164259.00	170206.00	156406.00	152004.00	156895.00	151762.00	143617.00	145725.00	168543.00	170326.00	192523.00	185833.00	216143.00	218811.00	206604.00	202380.00	213251.00	201133.00	173906.00	178587.00	164149.00	170879.00	201652.00	211769.00	179169.00	170688.00	174154.00	171970.00	156169.00	155181.00	169687.00	171147.00	169709.00	170430.00	145433.00	156201.00	189762.00	185819.00
methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate	52619.00	45147.00	80836.00	66554.00	94693.00	78977.00	89074.00	107976.00	80401.00	81677.00	38397.00	58194.00	90224.00	70785.00	47466.00	57164.00	76648.00	58851.00	111959.00	83760.00	122720.00	52311.00	40638.00	64922.00	70852.00	70488.00	133383.00	86302.00	198559.00	157187.00	75596.00	87746.00	91327.00	56200.00	54397.00	98317.00	55121.00	52796.00	139760.00	103104.00	56755.00	69841.00	111952.00	66473.00	48455.00	46392.00	54463.00	49581.00	59887.00	47679.00	94410.00	61198.00	178589.00	65792.00
5-trans U-44069	1.00	1.00	16817.00	1.00	19673.00	1.00	21359.00	110797.00	19670.00	37419.00	1.00	1.00	30126.00	1.00	1.00	1.00	13801.00	1.00	60662.00	24255.00	88830.00	16105.00	1.00	1.00	16860.00	11290.00	87879.00	26972.00	195003.00	204590.00	23424.00	76044.00	32205.00	1.00	1.00	28643.00	1.00	1.00	82852.00	45647.00	44048.00	13160.00	72862.00	19057.00	1.00	1.00	1.00	1.00	1.00	1.00	22563.00	12257.00	159553.00	33610.00
PS(21:0/0:0) Esi-11.804995	65740.00	69809.00	521972.00	399204.00	665532.00	488058.00	643529.00	2009560.00	428784.00	528472.00	131176.00	166304.00	608407.00	402244.00	122505.00	121059.00	196587.00	165551.00	771748.00	505782.00	1144808.00	370672.00	125277.00	128866.00	196419.00	160378.00	1005207.00	465935.00	1862315.00	1987806.00	359173.00	727381.00	741293.00	375668.00	277246.00	493097.00	99729.00	128910.00	599754.00	413148.00	465367.00	288015.00	504966.00	246025.00	84911.00	84062.00	236726.00	230702.00	353137.00	309450.00	257502.00	160069.00	1211332.00	405892.00
Lys Pro His Esi-11.439004	226848.00	231763.00	71877.00	66815.00	39475.00	35395.00	53933.00	77799.00	127016.00	133463.00	165005.00	151425.00	72971.00	72247.00	256235.00	247865.00	233869.00	226421.00	139185.00	118659.00	226461.00	156680.00	235076.00	237821.00	331124.00	328734.00	244012.00	185100.00	371141.00	386564.00	219792.00	253246.00	59072.00	51314.00	79889.00	76958.00	225507.00	206814.00	453948.00	397186.00	364907.00	317764.00	447285.00	396798.00	121454.00	124302.00	67195.00	66333.00	98977.00	89117.00	172844.00	160703.00	376769.00	254948.00
C36 H49 N17	1.00	1.00	37511.00	30458.00	119154.00	107018.00	55899.00	209201.00	59940.00	95630.00	1.00	13224.00	124132.00	37906.00	1.00	1.00	26342.00	16867.00	161494.00	46662.00	145447.00	23485.00	1.00	1.00	29109.00	18549.00	52665.00	22748.00	102869.00	147436.00	68468.00	99450.00	47558.00	41002.00	27265.00	75364.00	1.00	1.00	100251.00	49198.00	45681.00	1.00	24923.00	1.00	1.00	1.00	12871.00	15970.00	37752.00	26917.00	40181.00	30144.00	134107.00	34122.00
C23 H49 N9 O7 S	1.00	1.00	61670.00	44909.00	73132.00	49879.00	53160.00	205690.00	31490.00	44885.00	1.00	1.00	81574.00	39548.00	1.00	1.00	31383.00	23854.00	55125.00	30873.00	96859.00	26297.00	1.00	1.00	25257.00	18827.00	114888.00	46933.00	178826.00	197310.00	46741.00	119697.00	62688.00	22703.00	21396.00	57823.00	1.00	1.00	55455.00	31209.00	33596.00	17095.00	55297.00	22321.00	1.00	1.00	12755.00	14040.00	19987.00	16296.00	40826.00	23693.00	118792.00	30013.00
C40 H56 N3 O11	1.00	1.00	34215.00	16875.00	54904.00	29299.00	50942.00	229628.00	32112.00	48406.00	1.00	10374.00	54344.00	14249.00	11614.00	10854.00	21281.00	16005.00	81111.00	36586.00	108243.00	15295.00	14085.00	10968.00	21938.00	13400.00	102706.00	33153.00	184221.00	207634.00	25495.00	87872.00	73847.00	13756.00	13043.00	49653.00	1.00	14926.00	68073.00	34047.00	36388.00	11697.00	41998.00	1.00	1.00	1.00	1.00	1.00	10117.00	1.00	29089.00	15495.00	148952.00	32511.00
C35 H57 N3 O12	1.00	1.00	42204.00	29703.00	18127.00	13274.00	34960.00	136256.00	38239.00	60105.00	11624.00	13951.00	48155.00	24667.00	10460.00	1.00	47982.00	40176.00	45614.00	24131.00	132005.00	29348.00	13735.00	13122.00	46249.00	33432.00	113747.00	44522.00	189476.00	207374.00	30917.00	74291.00	49598.00	18917.00	13227.00	23682.00	1.00	11045.00	67084.00	36731.00	49177.00	22948.00	67385.00	21799.00	1.00	1.00	11674.00	12183.00	10269.00	1.00	33244.00	19404.00	112841.00	27036.00
9-OxoOTrE	130850.00	127798.00	34957.00	32307.00	20447.00	15023.00	26334.00	29965.00	74471.00	70166.00	96294.00	90076.00	35686.00	34135.00	132762.00	128394.00	107878.00	104352.00	63112.00	72458.00	109491.00	99796.00	130312.00	127047.00	149372.00	151826.00	109534.00	101047.00	136003.00	127595.00	100776.00	91490.00	30790.00	30810.00	45665.00	43191.00	120236.00	118860.00	178076.00	191295.00	189498.00	181925.00	207044.00	192285.00	69967.00	64925.00	42220.00	40566.00	55768.00	48078.00	94688.00	84371.00	126941.00	103618.00
6-Hydroxyangelicin	359713.00	364078.00	9738.00	11042.00	16101.00	15290.00	37028.00	35967.00	105455.00	105737.00	267477.00	264441.00	101945.00	101158.00	334991.00	316730.00	286231.00	283652.00	44587.00	44633.00	44035.00	44017.00	364645.00	361038.00	281557.00	277497.00	39444.00	37146.00	44155.00	45722.00	75345.00	72488.00	33889.00	33792.00	90706.00	91135.00	253431.00	265035.00	61397.00	64648.00	85977.00	81018.00	66988.00	67235.00	290927.00	292223.00	70644.00	72280.00	96198.00	97059.00	250905.00	261445.00	46697.00	46555.00
C27 H26 N23	42181.00	50414.00	54480.00	39603.00	113559.00	39478.00	77506.00	111551.00	31700.00	106225.00	28444.00	42762.00	91609.00	44759.00	65269.00	40449.00	29027.00	30877.00	90822.00	71928.00	126249.00	25770.00	26179.00	23179.00	57966.00	19134.00	178174.00	93365.00	215757.00	161130.00	52398.00	93804.00	143074.00	49410.00	38694.00	93804.00	32191.00	53361.00	99092.00	101458.00	39620.00	19894.00	29163.00	21417.00	22892.00	22744.00	20117.00	22406.00	59443.00	35132.00	91820.00	27519.00	200581.00	49482.00
C16 H12 N O3 S	137143.00	138721.00	155861.00	151576.00	166683.00	171550.00	166326.00	171509.00	159380.00	162410.00	151746.00	156887.00	99899.00	108394.00	148444.00	153397.00	119226.00	119908.00	125879.00	121050.00	168934.00	170386.00	142917.00	140757.00	161413.00	167508.00	149694.00	151798.00	151040.00	158342.00	141132.00	143130.00	155301.00	138702.00	135915.00	139121.00	143848.00	151218.00	133820.00	133837.00	188500.00	180900.00	171746.00	166765.00	166662.00	160213.00	136811.00	133883.00	115544.00	115787.00	122074.00	127768.00	151558.00	155378.00
18-hydroxy-9R,10S-epoxy-stearic acid Esi-11.821002	57068.00	60912.00	23926.00	19241.00	20311.00	43609.00	53262.00	56392.00	39304.00	41233.00	49723.00	49867.00	33449.00	25123.00	73122.00	75248.00	68188.00	70888.00	46644.00	41055.00	71991.00	37089.00	58149.00	59073.00	86350.00	89772.00	69358.00	40518.00	171341.00	197108.00	80600.00	115863.00	60101.00	14449.00	27264.00	34697.00	72059.00	71862.00	101117.00	84978.00	71232.00	60542.00	96678.00	70947.00	63292.00	64086.00	16974.00	18678.00	35981.00	34971.00	73364.00	64137.00	183138.00	74651.00
Phytuberin Esi-13.126005	1.00	1.00	34793.00	1.00	52819.00	31595.00	55468.00	159516.00	23867.00	42074.00	1.00	1.00	54157.00	1.00	1.00	1.00	1.00	1.00	79384.00	29804.00	103982.00	1.00	1.00	1.00	1.00	1.00	102900.00	35146.00	111621.00	122275.00	22034.00	82804.00	83803.00	1.00	1.00	47699.00	1.00	1.00	60178.00	19677.00	22716.00	1.00	32359.00	1.00	1.00	1.00	1.00	1.00	14043.00	1.00	17964.00	1.00	99507.00	24023.00
C35 H76 N12 O8	1.00	1.00	21845.00	1.00	40990.00	21823.00	34690.00	191388.00	16947.00	24744.00	1.00	1.00	34498.00	1.00	1.00	1.00	1.00	1.00	49988.00	16141.00	67366.00	1.00	1.00	1.00	1.00	1.00	63442.00	15422.00	130474.00	144019.00	9088.00	45549.00	45199.00	1.00	1.00	26935.00	1.00	1.00	28900.00	11338.00	9972.00	1.00	17217.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	82728.00	1.00
4-Hydroxyethinylestradiol	251728.00	273644.00	256195.00	266525.00	276587.00	270129.00	276811.00	258471.00	275219.00	270257.00	266645.00	272249.00	257665.00	280674.00	264400.00	261925.00	265247.00	265239.00	282744.00	281107.00	271261.00	271199.00	273680.00	269000.00	258519.00	259551.00	267853.00	266739.00	260232.00	272452.00	257040.00	247814.00	259797.00	268663.00	267716.00	245348.00	255294.00	259483.00	263025.00	273222.00	261075.00	271372.00	230597.00	247430.00	260827.00	251373.00	252478.00	235944.00	248082.00	251122.00	253104.00	252084.00	247105.00	255334.00
3-hydroxy-dodecanedioic acid	88331.00	87919.00	133649.00	135403.00	77958.00	82227.00	95403.00	103067.00	90479.00	89912.00	86101.00	78183.00	100275.00	108502.00	111158.00	115545.00	184064.00	185497.00	79460.00	81575.00	147263.00	149372.00	103545.00	98316.00	203692.00	204129.00	137097.00	138414.00	101807.00	102231.00	139386.00	138579.00	88641.00	80210.00	99548.00	94422.00	85725.00	85231.00	132910.00	123229.00	144643.00	143006.00	133753.00	136699.00	105187.00	96812.00	103656.00	99352.00	71589.00	65871.00	122197.00	112582.00	109211.00	104433.00
C18 H29 N O5 Esi-8.812995	182047.00	129012.00	210002.00	149070.00	223475.00	236462.00	267142.00	254740.00	239700.00	248519.00	257377.00	173266.00	217633.00	229411.00	222088.00	307491.00	210869.00	268799.00	144012.00	248465.00	298687.00	146710.00	256021.00	282959.00	223916.00	229697.00	225689.00	237764.00	136039.00	142093.00	136518.00	231315.00	180803.00	262740.00	139505.00	237860.00	137883.00	209559.00	232683.00	143326.00	383130.00	232987.00	237851.00	239986.00	155821.00	300515.00	260661.00	346533.00	178911.00	268352.00	260863.00	241708.00	186826.00	226158.00
C44 H63 N10 O S	1.00	1.00	30081.00	17550.00	83673.00	55265.00	58812.00	202685.00	40451.00	45760.00	1.00	1.00	61884.00	22228.00	1.00	1.00	1.00	1.00	66404.00	35539.00	56338.00	13238.00	1.00	1.00	16109.00	1.00	58080.00	20993.00	133910.00	146341.00	35145.00	88746.00	77814.00	24389.00	21029.00	62864.00	1.00	1.00	46081.00	29961.00	21944.00	1.00	25730.00	1.00	1.00	1.00	1.00	1.00	19542.00	1.00	31105.00	15803.00	110713.00	31226.00
9,12-dioxo-dodecanoic acid	144538.00	151988.00	205003.00	216689.00	183920.00	175276.00	178824.00	216885.00	171094.00	147928.00	94761.00	138350.00	214361.00	202561.00	203424.00	216721.00	268170.00	278173.00	147704.00	147841.00	147417.00	215360.00	156426.00	170186.00	298282.00	289349.00	208777.00	207970.00	156721.00	218305.00	236189.00	146106.00	180398.00	175458.00	179666.00	206140.00	153175.00	154109.00	205919.00	201669.00	222480.00	185829.00	197824.00	160287.00	198307.00	189792.00	164661.00	187247.00	140952.00	136932.00	192589.00	208642.00	163663.00	178615.00
C30 H48 N11 O11	1.00	1.00	36557.00	16520.00	79426.00	47186.00	86773.00	200550.00	35377.00	52813.00	1.00	1.00	48693.00	13262.00	1.00	1.00	1.00	1.00	120122.00	57536.00	127985.00	23018.00	1.00	1.00	16364.00	1.00	92590.00	34071.00	132615.00	126947.00	21128.00	75856.00	88463.00	21006.00	12315.00	58319.00	1.00	1.00	67641.00	35435.00	41365.00	12414.00	47828.00	1.00	1.00	1.00	1.00	1.00	14748.00	1.00	27965.00	12677.00	109918.00	25219.00
C50 H86 N4 S2	69157.00	1.00	42413.00	33526.00	87237.00	57256.00	86216.00	229810.00	82333.00	47291.00	9927.00	11350.00	70333.00	37736.00	12347.00	1.00	68327.00	8720.00	104007.00	71163.00	678552.00	79832.00	54392.00	10991.00	89385.00	23005.00	260379.00	72382.00	187227.00	183002.00	139410.00	130516.00	212692.00	188373.00	42333.00	48787.00	1.00	1.00	94680.00	36883.00	34959.00	25775.00	67195.00	80895.00	30756.00	46823.00	10199.00	1.00	12434.00	19058.00	42562.00	14652.00	477727.00	27487.00
C36 H67 N6 O11 S	1.00	1.00	44419.00	1.00	93363.00	67440.00	80109.00	245752.00	81155.00	98791.00	1.00	1.00	96941.00	31118.00	1.00	1.00	28411.00	1.00	87944.00	48947.00	117993.00	28471.00	1.00	1.00	40763.00	24116.00	107553.00	44037.00	243297.00	263943.00	61510.00	172849.00	118420.00	33095.00	24725.00	103930.00	1.00	1.00	89481.00	46684.00	45025.00	1.00	57497.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	76166.00	38590.00	199144.00	56264.00
C32 H61 N16 O S2	1.00	1.00	28029.00	21487.00	75929.00	51361.00	42424.00	156882.00	34699.00	38273.00	1.00	1.00	72130.00	25010.00	1.00	1.00	13942.00	11083.00	55686.00	30674.00	55457.00	11848.00	1.00	1.00	19926.00	12653.00	45612.00	20933.00	136286.00	155325.00	32255.00	102734.00	66552.00	20472.00	21269.00	68636.00	1.00	1.00	38406.00	24238.00	20859.00	1.00	19943.00	1.00	1.00	1.00	1.00	1.00	20519.00	12272.00	37200.00	19021.00	107838.00	30574.00
C34 H45 N14 O	1.00	1.00	1.00	1.00	38079.00	1.00	59132.00	153006.00	34998.00	57716.00	1.00	12085.00	50094.00	1.00	1.00	1.00	1.00	1.00	57008.00	1.00	108193.00	1.00	11558.00	13567.00	1.00	1.00	143229.00	1.00	181034.00	194856.00	34824.00	119942.00	53242.00	22137.00	1.00	37737.00	1.00	1.00	64984.00	41762.00	46190.00	1.00	1.00	1.00	1.00	1.00	16734.00	17594.00	1.00	18306.00	1.00	14806.00	109792.00	1.00
Asn His	73601.00	73993.00	174975.00	188829.00	147028.00	145169.00	137684.00	135881.00	138616.00	137503.00	100547.00	104775.00	109254.00	109820.00	54300.00	51292.00	100989.00	115698.00	115093.00	112684.00	127555.00	131834.00	62502.00	59874.00	88287.00	92912.00	130367.00	132913.00	128991.00	124655.00	131176.00	129358.00	150668.00	152130.00	146553.00	146867.00	74604.00	77791.00	118688.00	116787.00	110890.00	112583.00	115713.00	117315.00	94838.00	108581.00	147626.00	148430.00	136247.00	138986.00	81210.00	85423.00	123887.00	120832.00
C19 H40 N3 O5	56365.00	73314.00	133531.00	108118.00	104271.00	96287.00	103521.00	213263.00	62779.00	93384.00	82386.00	82287.00	178389.00	134417.00	98127.00	117109.00	132543.00	126410.00	134561.00	97178.00	211571.00	118220.00	59910.00	74431.00	95248.00	90407.00	119664.00	95041.00	224164.00	249247.00	154032.00	170412.00	148517.00	67462.00	107183.00	99370.00	71822.00	69542.00	130778.00	104084.00	85507.00	59287.00	117333.00	101843.00	89351.00	71811.00	49065.00	53964.00	84191.00	79768.00	88910.00	80377.00	186062.00	107521.00
C7 H14 N2 O6	127770.00	133000.00	107204.00	112094.00	155745.00	157526.00	155406.00	151434.00	103097.00	92843.00	57099.00	50873.00	129094.00	126419.00	62956.00	61771.00	152092.00	161389.00	63516.00	59689.00	199761.00	190425.00	155784.00	154778.00	102720.00	97859.00	62933.00	54827.00	183535.00	193972.00	46290.00	48385.00	68941.00	70263.00	132829.00	134424.00	162301.00	165396.00	141615.00	146904.00	106010.00	103351.00	110292.00	112881.00	59419.00	56230.00	88068.00	94702.00	70550.00	68041.00	98008.00	102541.00	80343.00	83762.00
C13 H2 N O13 S2	180989.00	185821.00	120194.00	121072.00	127174.00	125616.00	132168.00	132250.00	136735.00	133495.00	170231.00	162945.00	139783.00	134861.00	171244.00	172665.00	170502.00	172269.00	127314.00	129394.00	129818.00	130766.00	174558.00	170808.00	168525.00	171503.00	125706.00	132545.00	119762.00	120209.00	131672.00	132458.00	134103.00	127735.00	147442.00	140707.00	168676.00	163049.00	121662.00	123295.00	140944.00	136191.00	124062.00	122863.00	160925.00	162594.00	128688.00	132544.00	140678.00	144208.00	175158.00	166737.00	121862.00	129766.00
C22 H49 N12 O14	1.00	1.00	99892.00	43747.00	115442.00	69461.00	99553.00	195270.00	55466.00	80926.00	1.00	13313.00	110113.00	37335.00	1.00	1.00	27108.00	16987.00	128869.00	74904.00	148231.00	31303.00	14379.00	16369.00	36066.00	29069.00	143003.00	69106.00	207177.00	201000.00	43239.00	124434.00	129734.00	33131.00	23563.00	90779.00	1.00	16196.00	86062.00	53588.00	56508.00	23157.00	77033.00	21601.00	1.00	1.00	12449.00	13668.00	32187.00	17660.00	58416.00	27917.00	143097.00	43002.00
C22 H44 O8	1.00	1.00	24454.00	1.00	29234.00	12334.00	30862.00	160067.00	13579.00	20509.00	1.00	1.00	42055.00	1.00	1.00	1.00	1.00	1.00	46048.00	16667.00	89650.00	1.00	1.00	1.00	1.00	1.00	56029.00	14747.00	133107.00	146952.00	1.00	59271.00	40311.00	1.00	1.00	24686.00	1.00	1.00	42092.00	20435.00	15493.00	1.00	29937.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14277.00	1.00	92400.00	16806.00
C32 H53 N16 O2	1.00	1.00	98358.00	61066.00	319089.00	206537.00	154309.00	569711.00	85953.00	118498.00	15112.00	25206.00	210494.00	83789.00	1.00	1.00	37076.00	28306.00	175641.00	94779.00	125628.00	32759.00	19014.00	19186.00	44511.00	30008.00	154350.00	62218.00	354877.00	424346.00	109634.00	316446.00	204696.00	67265.00	79731.00	249059.00	1.00	28500.00	123979.00	62200.00	60495.00	18002.00	64142.00	19398.00	1.00	1.00	24455.00	26431.00	65855.00	41327.00	122456.00	62904.00	297747.00	79470.00
3alpha,7alpha,12alpha-Trihydroxy-24-nor-5beta-cholan-23-al	17589.00	29599.00	53637.00	43381.00	61179.00	43413.00	65184.00	41828.00	37114.00	53269.00	27535.00	24010.00	1.00	33484.00	1.00	1.00	1.00	29523.00	44968.00	46704.00	56506.00	50010.00	17410.00	29845.00	22739.00	10108.00	55786.00	52485.00	43956.00	38830.00	29096.00	1.00	1.00	55563.00	39790.00	40037.00	15036.00	19213.00	58206.00	79494.00	59495.00	63012.00	52491.00	51262.00	1.00	1.00	42301.00	39490.00	46714.00	54974.00	17194.00	1.00	1.00	32029.00
C9 H4 Cl2 N O2 S4	153278.00	156423.00	130126.00	134788.00	131823.00	130452.00	141028.00	145140.00	139294.00	132770.00	155280.00	148913.00	140088.00	138196.00	158341.00	156779.00	152259.00	152131.00	131668.00	136552.00	132764.00	146247.00	166754.00	164198.00	161236.00	167269.00	140803.00	146514.00	140826.00	135774.00	143499.00	145908.00	144565.00	145809.00	159187.00	153832.00	158230.00	159729.00	138357.00	141333.00	142285.00	147562.00	140421.00	138670.00	162397.00	162659.00	144392.00	146922.00	147760.00	147767.00	165289.00	170426.00	141435.00	142257.00
C13 H4 N6 O8 S2	32139.00	32888.00	17644.00	14419.00	45626.00	42357.00	94128.00	96125.00	80689.00	77629.00	35059.00	36396.00	19880.00	22322.00	72974.00	72892.00	52007.00	48704.00	147025.00	157613.00	90801.00	86235.00	106992.00	110636.00	41070.00	40121.00	67347.00	68681.00	75879.00	75338.00	43015.00	42774.00	128947.00	129665.00	26715.00	26468.00	98053.00	92225.00	59717.00	65848.00	45043.00	45254.00	38320.00	38514.00	42862.00	41200.00	126198.00	134707.00	58739.00	61191.00	96349.00	94369.00	53420.00	53551.00
Pyributicarb	60465.00	58300.00	53081.00	55359.00	60491.00	60607.00	50432.00	49560.00	69041.00	67544.00	34257.00	35226.00	65092.00	64500.00	15925.00	16734.00	76244.00	82129.00	19273.00	20439.00	79384.00	77443.00	57690.00	59241.00	55547.00	55414.00	31276.00	34506.00	157866.00	152318.00	30284.00	27828.00	34882.00	36218.00	60857.00	64604.00	91299.00	95125.00	69702.00	74157.00	61409.00	58195.00	56268.00	56294.00	44984.00	42380.00	43860.00	45369.00	49321.00	48403.00	45699.00	47831.00	45190.00	46992.00
C9 H4 N O10 S Esi-0.8370006	79284.00	87073.00	89903.00	326416.00	75346.00	93416.00	363815.00	357553.00	384741.00	393384.00	485885.00	84038.00	424248.00	406165.00	559603.00	583147.00	83392.00	544023.00	381417.00	83346.00	402335.00	430751.00	94567.00	88658.00	78819.00	78068.00	376371.00	373799.00	345293.00	343267.00	400555.00	380735.00	97547.00	399312.00	460522.00	82788.00	38237.00	82892.00	367034.00	86528.00	91216.00	442517.00	376645.00	383551.00	90558.00	545474.00	407085.00	409695.00	450620.00	416376.00	82560.00	86224.00	80415.00	83087.00
C25 H51 N10 O7	181296.00	178241.00	182107.00	178900.00	180783.00	186929.00	186022.00	175482.00	182846.00	179879.00	181243.00	167691.00	167760.00	174884.00	179682.00	183258.00	176399.00	176772.00	173765.00	180077.00	175537.00	176657.00	176844.00	178385.00	170990.00	178799.00	174136.00	177617.00	176782.00	178115.00	177458.00	182220.00	178431.00	182874.00	178807.00	179786.00	185840.00	181470.00	185385.00	185333.00	190701.00	181216.00	177774.00	178590.00	181085.00	183975.00	186728.00	171293.00	179232.00	183069.00	177110.00	181128.00	179676.00	182988.00
Dehydrojuvabione	61672.00	99479.00	123860.00	126443.00	58181.00	93576.00	53786.00	60201.00	61857.00	64038.00	55533.00	94207.00	86113.00	79890.00	127078.00	91707.00	181682.00	189098.00	49019.00	69400.00	142628.00	120918.00	96595.00	91358.00	178453.00	170896.00	114645.00	107815.00	107523.00	124386.00	164972.00	175920.00	72542.00	59993.00	103015.00	81490.00	107018.00	96382.00	120445.00	110203.00	121529.00	116799.00	111572.00	113425.00	60273.00	60726.00	93359.00	96028.00	60370.00	60061.00	135001.00	135850.00	134208.00	77654.00
C45 H77 N3 O12 Esi-13.640997	1.00	1.00	107871.00	97927.00	163407.00	122361.00	188274.00	915640.00	129332.00	582034.00	1.00	87059.00	184309.00	108481.00	1.00	1.00	209358.00	138951.00	296621.00	277158.00	482901.00	163719.00	119751.00	122399.00	274559.00	171988.00	355521.00	281251.00	720770.00	877731.00	54999.00	197455.00	266327.00	133877.00	67915.00	106595.00	1.00	63737.00	250363.00	119284.00	150775.00	105120.00	162181.00	87928.00	1.00	1.00	1.00	1.00	95749.00	1.00	299122.00	149353.00	459443.00	250008.00
2?-(3-Hydroxypropyl)-1?,25-dihydroxy-19-norvitamin D3	1.00	1.00	10852.00	1.00	15375.00	1.00	19168.00	89975.00	20665.00	35150.00	1.00	1.00	24554.00	1.00	1.00	1.00	1.00	1.00	31970.00	10460.00	68522.00	1.00	1.00	1.00	1.00	1.00	63585.00	16024.00	152647.00	186362.00	12254.00	65249.00	42239.00	1.00	1.00	25148.00	1.00	1.00	38300.00	16671.00	25888.00	1.00	32352.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	21570.00	10805.00	89510.00	9310.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate Esi-10.252008	100305.00	100403.00	132393.00	134136.00	168658.00	167639.00	142161.00	132141.00	149864.00	140905.00	204944.00	201911.00	175009.00	182630.00	171910.00	180619.00	200923.00	199556.00	141854.00	154329.00	136615.00	141634.00	168475.00	165323.00	193462.00	202151.00	259419.00	261051.00	173193.00	173415.00	120428.00	117341.00	209385.00	200861.00	171801.00	166785.00	196534.00	201007.00	135747.00	137921.00	131085.00	126650.00	211994.00	212499.00	561597.00	537701.00	167429.00	156223.00	127209.00	120449.00	156151.00	162464.00	139636.00	133610.00
C12 H12 N8 S	102473.00	103019.00	29182.00	31062.00	30910.00	32012.00	45633.00	46572.00	75612.00	73447.00	152716.00	132007.00	83592.00	85546.00	93622.00	91819.00	78736.00	82933.00	57514.00	54791.00	43107.00	42709.00	81435.00	78310.00	95675.00	93677.00	43879.00	42930.00	72111.00	74017.00	63892.00	68117.00	75774.00	76385.00	65092.00	66068.00	92148.00	98416.00	65599.00	54716.00	78576.00	79922.00	64765.00	64125.00	117298.00	104997.00	51967.00	51850.00	68137.00	66056.00	81383.00	82564.00	46792.00	46846.00
Trinexapac-ethyl	182437.00	186462.00	185819.00	193943.00	192921.00	184308.00	179187.00	190476.00	184642.00	197715.00	192151.00	185515.00	170727.00	172697.00	185605.00	176745.00	179670.00	174431.00	174079.00	183298.00	189515.00	182387.00	174456.00	175642.00	176041.00	181084.00	187298.00	190078.00	187450.00	186048.00	190484.00	170357.00	184578.00	176001.00	183510.00	191398.00	181859.00	177299.00	187879.00	183897.00	166785.00	176714.00	181601.00	174916.00	180076.00	172046.00	174774.00	177795.00	171288.00	169341.00	183200.00	174498.00	183469.00	181185.00
3alpha,7alpha,12alpha-Trihydroxy-24-nor-5beta-cholan-23-al Esi-11.607998	53539.00	77831.00	97624.00	75516.00	1.00	94138.00	81224.00	1.00	96427.00	98134.00	47082.00	69581.00	1.00	81236.00	66776.00	74233.00	74847.00	85454.00	70657.00	67011.00	1.00	87592.00	50189.00	12140.00	93351.00	66402.00	1.00	99616.00	1.00	1.00	35929.00	1.00	1.00	88061.00	64132.00	103769.00	95879.00	59649.00	114604.00	111524.00	1.00	87716.00	36535.00	66159.00	89624.00	47816.00	65210.00	92474.00	83138.00	96905.00	24070.00	50538.00	1.00	92242.00
C11 H2 O7 S2	172561.00	181057.00	129751.00	134266.00	134133.00	136028.00	145473.00	144797.00	138830.00	138781.00	172392.00	164675.00	145417.00	140813.00	167542.00	167229.00	161737.00	166680.00	130577.00	136334.00	137773.00	139127.00	174233.00	183453.00	177402.00	172626.00	133322.00	139122.00	133822.00	136022.00	144806.00	144925.00	142773.00	142796.00	154538.00	153583.00	167013.00	168608.00	137603.00	131891.00	146468.00	148155.00	134026.00	134337.00	173209.00	178973.00	148670.00	149047.00	151389.00	148487.00	174496.00	171884.00	138522.00	140930.00
C8 H10 Cl N3 O4	162887.00	165213.00	1.00	1.00	1.00	1.00	1.00	1.00	29867.00	26934.00	108373.00	109096.00	26503.00	28853.00	145399.00	152875.00	113377.00	114489.00	1.00	8429.00	1.00	1.00	175973.00	169232.00	119395.00	119983.00	1.00	1.00	1.00	9415.00	18064.00	17563.00	1.00	1.00	24586.00	24298.00	99670.00	109450.00	13261.00	13778.00	22019.00	21210.00	15472.00	15407.00	136017.00	126605.00	14268.00	15095.00	27425.00	24885.00	93612.00	100458.00	1.00	1.00
C26 H46 N4 O4	1.00	1.00	20332.00	1.00	45122.00	24511.00	27663.00	212127.00	21432.00	28218.00	1.00	1.00	53474.00	1.00	1.00	1.00	1.00	1.00	61558.00	19866.00	59609.00	1.00	1.00	1.00	1.00	1.00	71262.00	22008.00	199551.00	205850.00	56406.00	50497.00	50290.00	1.00	1.00	34327.00	1.00	1.00	27816.00	31154.00	15951.00	1.00	24954.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	31304.00	1.00	146787.00	17504.00
17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-(hydrogensuccinate) Esi-10.515996	34509.00	36597.00	40724.00	44867.00	56068.00	56021.00	53064.00	43925.00	54857.00	53900.00	85524.00	78693.00	53263.00	56247.00	59910.00	60139.00	68240.00	69427.00	47928.00	46601.00	42429.00	43279.00	58521.00	56735.00	68096.00	69652.00	91492.00	88386.00	59098.00	54808.00	31079.00	30391.00	59024.00	58530.00	53161.00	51729.00	69223.00	70380.00	38057.00	41440.00	38656.00	37191.00	67216.00	64102.00	246919.00	235993.00	52460.00	51397.00	31226.00	30860.00	47300.00	45057.00	35862.00	38933.00
Allantoin	97468.00	102899.00	103299.00	102703.00	151483.00	148647.00	128860.00	131858.00	124898.00	124511.00	107566.00	108238.00	104021.00	108735.00	93292.00	91499.00	155620.00	167010.00	99143.00	98805.00	156675.00	149655.00	106490.00	104612.00	132749.00	124716.00	127319.00	120102.00	137376.00	129004.00	116510.00	110489.00	114301.00	115990.00	121389.00	119822.00	118602.00	112933.00	120943.00	127950.00	114335.00	114304.00	161831.00	161126.00	144862.00	152185.00	188723.00	181926.00	146568.00	138433.00	160130.00	167511.00	145888.00	138219.00
Dehydro-L-(+)-ascorbic acid dimer	1.00	1.00	1.00	1.00	10395.00	9998.00	66495.00	68653.00	62698.00	58036.00	16761.00	17024.00	1.00	1.00	26391.00	25807.00	11721.00	9869.00	139867.00	139501.00	68059.00	72663.00	85588.00	86905.00	33723.00	33769.00	17015.00	14913.00	24417.00	22149.00	17149.00	17728.00	104172.00	98957.00	1.00	9534.00	55138.00	58298.00	17471.00	18204.00	11297.00	9725.00	10857.00	10767.00	14846.00	14042.00	89455.00	83653.00	24551.00	26441.00	49892.00	47205.00	19425.00	18865.00
C31 H47 N3 O10	74495.00	70713.00	89310.00	95669.00	65318.00	66006.00	92419.00	88576.00	78452.00	78747.00	108504.00	101008.00	71281.00	76611.00	133600.00	133285.00	142806.00	140418.00	70609.00	68683.00	124572.00	122212.00	112209.00	110145.00	172787.00	167908.00	118898.00	121720.00	136168.00	136499.00	129373.00	131496.00	80984.00	77801.00	86696.00	85001.00	108516.00	101032.00	104088.00	98697.00	113435.00	113869.00	120903.00	120047.00	103508.00	104104.00	90546.00	89580.00	70363.00	70313.00	114973.00	109298.00	108029.00	101940.00
C5 H13 N5 O6	132850.00	133934.00	140616.00	143990.00	143989.00	145497.00	143071.00	146594.00	127583.00	126880.00	139832.00	139822.00	136939.00	146043.00	144370.00	154074.00	149051.00	151313.00	144237.00	152021.00	150186.00	153422.00	149379.00	149058.00	151744.00	156383.00	155151.00	153506.00	148170.00	138784.00	156658.00	152233.00	145676.00	146304.00	152773.00	151873.00	152008.00	157063.00	158879.00	159320.00	161488.00	157252.00	150855.00	157381.00	153462.00	154432.00	153299.00	151211.00	153972.00	158554.00	147722.00	149625.00	154418.00	152153.00
Thyrotropin releasing hormone	140986.00	139213.00	135256.00	140216.00	147910.00	133422.00	138346.00	136951.00	153126.00	137883.00	144258.00	148955.00	131321.00	131080.00	141123.00	140450.00	137450.00	145684.00	133522.00	138815.00	151620.00	155986.00	151516.00	148078.00	151331.00	152203.00	139947.00	144511.00	147235.00	135926.00	153621.00	155874.00	149595.00	142806.00	146276.00	146641.00	146244.00	150052.00	139884.00	137955.00	142927.00	144113.00	144503.00	135150.00	149541.00	155850.00	139865.00	146036.00	139478.00	144187.00	164715.00	145354.00	139828.00	137383.00
11-methyl-hexadecanoic acid	4019.00	3808.00	11864.00	5750.00	16979.00	9704.00	13560.00	109418.00	8876.00	9799.00	4566.00	3261.00	14370.00	5570.00	5520.00	3579.00	4900.00	5542.00	26041.00	9257.00	36741.00	4101.00	3390.00	5580.00	4381.00	5762.00	34335.00	8359.00	123959.00	140295.00	7646.00	29291.00	20434.00	4127.00	4784.00	12562.00	4106.00	5595.00	22342.00	12058.00	8599.00	5022.00	12618.00	4527.00	4756.00	4203.00	3324.00	4442.00	6638.00	5894.00	7896.00	4977.00	61417.00	8272.00
3-oxo-4-methyl-pentanoic acid	64716.00	67811.00	46085.00	44235.00	78948.00	80952.00	69274.00	72271.00	85996.00	87041.00	102330.00	96693.00	37454.00	36484.00	80815.00	84714.00	51019.00	52969.00	92497.00	102711.00	58927.00	55796.00	166095.00	167771.00	71459.00	69526.00	108171.00	100979.00	65966.00	56076.00	57319.00	54445.00	64403.00	63965.00	81810.00	85865.00	108504.00	102949.00	80391.00	78260.00	75840.00	76103.00	64297.00	64934.00	70781.00	69534.00	98885.00	95851.00	80581.00	82395.00	110945.00	116388.00	75587.00	70819.00
C3 H4 O	119550.00	105319.00	169118.00	160762.00	177824.00	198201.00	188444.00	163593.00	159751.00	148675.00	128589.00	124815.00	133432.00	134150.00	90067.00	88815.00	124921.00	140363.00	146063.00	148891.00	183498.00	174330.00	89240.00	90773.00	127354.00	134885.00	161083.00	173665.00	138371.00	140195.00	133244.00	146160.00	141889.00	154539.00	131654.00	139290.00	125353.00	119800.00	132789.00	152654.00	144578.00	137199.00	137561.00	131269.00	100363.00	101288.00	153730.00	153389.00	158077.00	159922.00	137461.00	131544.00	163689.00	170493.00
C33 H49 N17	1.00	1.00	31903.00	23560.00	99078.00	74352.00	41140.00	161845.00	20188.00	33915.00	1.00	10380.00	61860.00	30675.00	1.00	1.00	14707.00	11877.00	69548.00	38533.00	46412.00	11562.00	1.00	1.00	13277.00	11365.00	47570.00	14651.00	97386.00	116969.00	29868.00	90224.00	73009.00	30294.00	28452.00	67764.00	1.00	1.00	32875.00	21678.00	19043.00	1.00	17698.00	1.00	11831.00	11786.00	10996.00	12432.00	35917.00	28400.00	33308.00	17956.00	105918.00	24632.00
PE(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-10.927001	1.00	1.00	95090.00	88720.00	61401.00	59023.00	87410.00	97197.00	65761.00	67418.00	22945.00	20701.00	68870.00	65053.00	17538.00	17658.00	30726.00	29759.00	91034.00	86397.00	121528.00	93221.00	20991.00	18794.00	20908.00	20540.00	107647.00	90540.00	141998.00	134080.00	61221.00	65773.00	98868.00	86580.00	61472.00	61612.00	15506.00	14949.00	94065.00	91774.00	88569.00	75769.00	78082.00	70363.00	1.00	1.00	64339.00	66319.00	70101.00	69604.00	10395.00	1.00	91005.00	66323.00
C7 H4 N S3	161419.00	161300.00	1.00	1.00	1.00	1.00	27146.00	28025.00	31809.00	28163.00	124078.00	127341.00	21992.00	21212.00	146803.00	143286.00	112656.00	122758.00	18459.00	1.00	20278.00	21077.00	172549.00	173952.00	125839.00	118648.00	1.00	1.00	24585.00	22620.00	31887.00	34511.00	1.00	1.00	30170.00	33737.00	127543.00	134673.00	24449.00	20336.00	28388.00	26391.00	27197.00	27915.00	157446.00	146232.00	35075.00	33441.00	31187.00	36055.00	134116.00	138908.00	18381.00	21489.00
C37 H63 N3 O10	1.00	1.00	34482.00	1.00	78404.00	57148.00	45245.00	184303.00	40676.00	53084.00	1.00	1.00	61983.00	20618.00	1.00	1.00	1.00	1.00	62478.00	27024.00	62944.00	1.00	1.00	1.00	19688.00	1.00	74044.00	25191.00	167674.00	207328.00	38703.00	113889.00	84771.00	23113.00	20502.00	84880.00	1.00	1.00	56255.00	26102.00	23235.00	1.00	30423.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	47518.00	25553.00	109304.00	29681.00
L-Leucine Esi-2.2170007	119575.00	118006.00	121111.00	116733.00	145534.00	157854.00	139617.00	136063.00	193454.00	201729.00	214616.00	205558.00	108176.00	107746.00	133936.00	133063.00	132530.00	133956.00	143080.00	153040.00	145140.00	152724.00	166181.00	165120.00	142268.00	140863.00	196378.00	209210.00	150265.00	150649.00	149018.00	144099.00	142887.00	139428.00	161607.00	161480.00	174367.00	167209.00	205085.00	197814.00	148162.00	153285.00	159088.00	164148.00	153172.00	151256.00	198587.00	199233.00	205088.00	188456.00	244575.00	221441.00	207641.00	213573.00
26-Hydroxybrassinolide	1.00	1.00	33699.00	12277.00	41610.00	19821.00	39126.00	161999.00	23900.00	35905.00	1.00	1.00	51759.00	14209.00	1.00	1.00	25902.00	20436.00	47103.00	17924.00	57482.00	1.00	1.00	1.00	16716.00	12016.00	62036.00	20402.00	155762.00	139431.00	29893.00	103084.00	44034.00	1.00	1.00	36550.00	1.00	11889.00	40042.00	19856.00	19421.00	1.00	27065.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	58927.00	27546.00	99039.00	20614.00
13(S)-HODE	81717.00	83758.00	35852.00	77433.00	70717.00	72001.00	19491.00	44802.00	29440.00	33021.00	38096.00	69621.00	50926.00	70240.00	85723.00	92318.00	96723.00	87254.00	39094.00	28253.00	115627.00	30269.00	82263.00	83203.00	117543.00	113951.00	64492.00	38166.00	141122.00	165668.00	122758.00	96253.00	87225.00	57325.00	44902.00	30757.00	57993.00	105389.00	90200.00	71079.00	105835.00	90467.00	87147.00	110374.00	97373.00	97001.00	50323.00	49579.00	55172.00	61328.00	60785.00	96379.00	138352.00	72345.00
9S,12S,13S-trihydroxy-10E-octadecenoic acid	93159.00	98712.00	38554.00	40147.00	29962.00	31355.00	27165.00	27828.00	46965.00	45392.00	57891.00	56162.00	45118.00	54811.00	139456.00	145304.00	98280.00	94228.00	79658.00	78833.00	80315.00	80209.00	93974.00	95085.00	122353.00	124311.00	80479.00	79059.00	88883.00	90691.00	156766.00	164363.00	38407.00	37000.00	59375.00	63649.00	110756.00	115027.00	173222.00	182520.00	133185.00	130585.00	158334.00	160156.00	96045.00	93659.00	38456.00	36756.00	83016.00	85671.00	121545.00	122545.00	164064.00	158035.00
13(S)-HODE Esi-11.346992	135700.00	118191.00	53858.00	40482.00	37169.00	36668.00	35836.00	44015.00	66512.00	78355.00	86673.00	88580.00	57935.00	54520.00	139743.00	123244.00	111818.00	109751.00	90825.00	79244.00	109242.00	106714.00	129020.00	119006.00	152367.00	160222.00	159171.00	100931.00	178137.00	198440.00	101382.00	110790.00	56295.00	35923.00	68167.00	67811.00	103594.00	133243.00	240424.00	235052.00	178326.00	172312.00	221653.00	208937.00	82971.00	91960.00	56338.00	53769.00	66465.00	77319.00	111553.00	89379.00	210326.00	130396.00
Frutinone A	149910.00	151680.00	1.00	1.00	1.00	1.00	1.00	1.00	28152.00	27594.00	105708.00	96661.00	22224.00	26749.00	116391.00	116359.00	103388.00	101548.00	1.00	1.00	12596.00	1.00	155593.00	158421.00	121035.00	117788.00	1.00	1.00	1.00	1.00	15490.00	16187.00	1.00	1.00	22319.00	23889.00	96567.00	97679.00	14787.00	16276.00	19485.00	21249.00	16593.00	16830.00	114699.00	107531.00	18062.00	22107.00	28452.00	27679.00	103705.00	102404.00	1.00	12420.00
C3 H Cl3 N2 O3 S2	137663.00	141872.00	146940.00	143045.00	147319.00	147194.00	154280.00	153059.00	143424.00	137908.00	156566.00	153525.00	155730.00	158336.00	153487.00	157766.00	155597.00	161585.00	156352.00	154509.00	158787.00	161117.00	156876.00	158408.00	153019.00	158015.00	155512.00	159996.00	151358.00	148709.00	154658.00	155562.00	163539.00	159311.00	160665.00	159549.00	155634.00	158409.00	155994.00	164219.00	166265.00	164064.00	162907.00	160444.00	158104.00	165152.00	164117.00	164524.00	155782.00	152939.00	163407.00	161856.00	156524.00	154576.00
HC Yellow No. 4	107582.00	110894.00	142138.00	149259.00	130406.00	132763.00	144210.00	138794.00	104679.00	107575.00	115251.00	119126.00	127667.00	133281.00	144909.00	150028.00	112965.00	117318.00	128810.00	126475.00	107160.00	107584.00	144218.00	139970.00	99243.00	96063.00	125501.00	127066.00	112470.00	108299.00	97502.00	105592.00	119863.00	120436.00	112766.00	108629.00	122145.00	115812.00	99676.00	104257.00	142062.00	133327.00	119771.00	118306.00	119375.00	120372.00	144267.00	138283.00	135585.00	135174.00	143510.00	144021.00	112180.00	116310.00
Purine Esi-3.9069984	58442.00	128418.00	137739.00	68490.00	68844.00	124020.00	59705.00	66765.00	138400.00	70928.00	73706.00	129653.00	56674.00	68119.00	78472.00	81104.00	70337.00	63135.00	45488.00	91273.00	268285.00	93170.00	97587.00	207418.00	55517.00	56115.00	59919.00	104333.00	104817.00	57727.00	75850.00	70473.00	117621.00	76346.00	43825.00	262395.00	105874.00	61662.00	58125.00	53000.00	69358.00	62172.00	62604.00	85262.00	42429.00	69563.00	69082.00	56832.00	62658.00	157331.00	478798.00	87796.00	111752.00	138619.00
C8 H4 O2	145361.00	155386.00	19584.00	18369.00	20394.00	21716.00	55123.00	43149.00	88922.00	68183.00	135173.00	133550.00	87073.00	91275.00	141848.00	131547.00	132430.00	130555.00	58216.00	43067.00	44489.00	46749.00	150971.00	143000.00	148626.00	146763.00	44004.00	44081.00	49528.00	64364.00	60086.00	76554.00	42082.00	43006.00	89712.00	90967.00	134500.00	141945.00	56483.00	54488.00	85420.00	64699.00	74825.00	58050.00	148743.00	152151.00	64706.00	69658.00	92575.00	92798.00	136837.00	136570.00	67330.00	47836.00
C50 H86 N4 S2 Esi-14.124003	69157.00	1.00	20407.00	613025.00	23579.00	33175.00	16353.00	23704.00	36132.00	85842.00	9927.00	77541.00	24379.00	108122.00	10031.00	64881.00	84273.00	38495.00	17379.00	151596.00	12001.00	100038.00	54392.00	91584.00	62393.00	92585.00	1.00	19015.00	1.00	1.00	575622.00	50113.00	27548.00	9134.00	10178.00	25792.00	1.00	42652.00	39897.00	158968.00	145574.00	96166.00	109065.00	1.00	54350.00	87548.00	82344.00	48962.00	13543.00	36005.00	18113.00	10084.00	1.00	175948.00
2-methylene-4-oxo-pentanedioic acid Esi-1.2789996	1.00	407281.00	514830.00	559431.00	1.00	668243.00	998755.00	994340.00	489754.00	515563.00	958704.00	1.00	358692.00	384458.00	411583.00	666218.00	766339.00	447266.00	433128.00	766520.00	815788.00	433381.00	759442.00	781489.00	785925.00	777028.00	866508.00	893464.00	636666.00	650185.00	662925.00	1.00	910535.00	523351.00	856772.00	1.00	323188.00	312356.00	380945.00	650018.00	676800.00	1.00	651023.00	368762.00	429333.00	818949.00	989327.00	989397.00	565271.00	1.00	804032.00	1.00	452478.00	460835.00
C28 H47 N5 O14	14874.00	15826.00	107201.00	84152.00	124464.00	102796.00	117202.00	154160.00	82453.00	101740.00	22040.00	30943.00	109822.00	76030.00	23218.00	20471.00	46429.00	39891.00	121259.00	89152.00	139105.00	62442.00	25413.00	27362.00	43527.00	35216.00	133436.00	86978.00	163754.00	161097.00	70670.00	119560.00	126990.00	72889.00	58392.00	97639.00	20048.00	28693.00	98506.00	69866.00	80761.00	49172.00	84927.00	46522.00	19494.00	21093.00	44399.00	48013.00	65410.00	58198.00	58365.00	38680.00	140030.00	75625.00
C27 H57 N9 O8 S	1.00	1.00	35551.00	20860.00	61796.00	32014.00	36208.00	118450.00	28698.00	44846.00	1.00	1.00	51296.00	25775.00	1.00	1.00	20711.00	1.00	34328.00	19603.00	59052.00	15509.00	1.00	1.00	19046.00	1.00	63568.00	27039.00	127158.00	145818.00	25622.00	80819.00	52776.00	16235.00	16935.00	40727.00	1.00	1.00	42375.00	20990.00	30101.00	1.00	37865.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	33306.00	1.00	70653.00	20481.00
C14 H4 N3 O11 S2	139931.00	136864.00	70326.00	71679.00	79263.00	78596.00	85008.00	80917.00	88026.00	84749.00	124226.00	114029.00	88352.00	92926.00	124388.00	129569.00	130551.00	131334.00	82851.00	84261.00	88084.00	91091.00	143325.00	144540.00	135067.00	134199.00	85544.00	82208.00	75279.00	81857.00	88106.00	92219.00	93877.00	93226.00	101667.00	104399.00	127464.00	124270.00	88663.00	89571.00	90054.00	90148.00	86345.00	87736.00	128403.00	126396.00	92454.00	90844.00	100337.00	102850.00	128435.00	136805.00	84754.00	78850.00
C7 H3 O8	1.00	1.00	1.00	1.00	1.00	1.00	63045.00	65062.00	39766.00	36168.00	1.00	1.00	1.00	1.00	23842.00	20800.00	19046.00	18515.00	157541.00	159935.00	50335.00	51783.00	52501.00	53234.00	22570.00	19759.00	36835.00	33042.00	43152.00	35346.00	21592.00	23615.00	102311.00	97827.00	1.00	1.00	57673.00	52167.00	19064.00	18330.00	19082.00	21555.00	1.00	1.00	17251.00	1.00	137723.00	147462.00	18425.00	20476.00	59202.00	74195.00	1.00	1.00
11S-hydroxy-hexadecanoic acid	16489.00	15325.00	20023.00	18298.00	24765.00	22420.00	27196.00	103911.00	25117.00	24330.00	17714.00	15884.00	30850.00	17743.00	14226.00	13742.00	19599.00	18345.00	37866.00	23028.00	44293.00	21868.00	14614.00	17788.00	18745.00	17820.00	42339.00	20829.00	127957.00	144016.00	17939.00	48806.00	30487.00	16610.00	16580.00	26511.00	12967.00	17829.00	31933.00	24401.00	20489.00	18436.00	29982.00	15475.00	14549.00	12014.00	13217.00	12321.00	15840.00	14795.00	19593.00	16187.00	73598.00	20775.00
4-Hydroxyethinylestradiol Esi-10.619997	123227.00	120178.00	138171.00	127821.00	134104.00	145241.00	144251.00	148373.00	142903.00	113754.00	134565.00	139893.00	132284.00	130496.00	112950.00	107071.00	131019.00	134471.00	140381.00	139823.00	126424.00	133261.00	133164.00	127589.00	106773.00	131812.00	137107.00	137358.00	153731.00	145479.00	115832.00	112991.00	129050.00	131679.00	124167.00	127823.00	131780.00	134707.00	136461.00	140741.00	111641.00	140234.00	136246.00	113935.00	109218.00	116744.00	122682.00	107437.00	107372.00	123698.00	128597.00	121236.00	134566.00	114149.00
C5 H2 N2 O5	126551.00	128576.00	138551.00	145760.00	155837.00	158148.00	161907.00	154879.00	155604.00	155469.00	131926.00	128105.00	139159.00	136621.00	144048.00	144961.00	149657.00	147185.00	104428.00	110151.00	143466.00	138761.00	139499.00	143589.00	150798.00	153740.00	112890.00	120996.00	143026.00	143573.00	131388.00	135567.00	129079.00	131810.00	148940.00	144530.00	133001.00	115495.00	131465.00	128308.00	137168.00	138958.00	119322.00	128288.00	129756.00	142312.00	138754.00	134297.00	47154.00	53254.00	52396.00	52630.00	52984.00	55877.00
C9 H6 Cl2 N S5	137238.00	140578.00	128649.00	123144.00	127079.00	129544.00	136012.00	133140.00	123374.00	128034.00	142378.00	140610.00	131183.00	134995.00	146299.00	142222.00	146653.00	140182.00	119586.00	129808.00	130944.00	129257.00	144752.00	147011.00	142070.00	143652.00	118153.00	131642.00	126007.00	128778.00	127536.00	132030.00	135861.00	133626.00	141173.00	136287.00	145411.00	137696.00	125795.00	125041.00	131687.00	128090.00	125666.00	125069.00	138683.00	141636.00	132984.00	135130.00	134690.00	135295.00	144815.00	146650.00	128930.00	129384.00
C16 H38 N5 O6	10631.00	27518.00	65180.00	31028.00	77369.00	53816.00	65166.00	128193.00	40745.00	53897.00	29921.00	12831.00	66910.00	29220.00	21930.00	24617.00	25424.00	18772.00	70980.00	46092.00	77459.00	29111.00	19106.00	16486.00	28623.00	21642.00	83003.00	51972.00	99440.00	103170.00	37871.00	78500.00	70758.00	23200.00	17499.00	63871.00	31550.00	14047.00	70185.00	49152.00	49483.00	21035.00	62005.00	16340.00	28721.00	22883.00	41896.00	9557.00	29346.00	15879.00	43061.00	24585.00	86028.00	42419.00
C5 H9 N2 O5	91884.00	92693.00	126339.00	119581.00	113386.00	111725.00	131132.00	122163.00	128058.00	127567.00	133409.00	132219.00	119509.00	130204.00	109054.00	115046.00	105303.00	107098.00	135151.00	140248.00	126024.00	129957.00	115965.00	121056.00	107125.00	110649.00	132050.00	136880.00	132567.00	129577.00	126105.00	122349.00	124022.00	123402.00	125500.00	124977.00	115126.00	117184.00	141270.00	144529.00	143494.00	145756.00	134506.00	123410.00	123789.00	124143.00	126721.00	123270.00	130511.00	134477.00	113192.00	114829.00	143886.00	139927.00
Cholic acid Esi-8.410003	1.00	1.00	1.00	1.00	13966.00	14565.00	26185.00	26560.00	22224.00	20993.00	1.00	1.00	1.00	1.00	51780.00	50419.00	144240.00	141934.00	26077.00	26118.00	153078.00	150126.00	66186.00	64343.00	36752.00	33127.00	11939.00	11555.00	92814.00	92892.00	32595.00	32815.00	108237.00	109700.00	1.00	1.00	90568.00	91514.00	44860.00	47609.00	1.00	9810.00	20046.00	18079.00	123065.00	117256.00	106424.00	106871.00	42248.00	39641.00	38782.00	37506.00	44454.00	40886.00
C46 H61 Cl2 N3	1.00	1.00	42368.00	27515.00	103412.00	69571.00	55481.00	159432.00	49162.00	67386.00	15254.00	19394.00	79076.00	42562.00	11947.00	12051.00	34632.00	26518.00	74319.00	51105.00	89035.00	26002.00	11423.00	13411.00	35442.00	28411.00	70108.00	30016.00	163066.00	179623.00	45988.00	111918.00	85790.00	39156.00	35209.00	66356.00	1.00	11426.00	61487.00	37738.00	41525.00	14347.00	42723.00	13021.00	1.00	11649.00	17183.00	17633.00	33430.00	28298.00	54234.00	30909.00	159663.00	48797.00
Pregna-4,16-diene-3,11,20-trione	169636.00	254139.00	229268.00	249780.00	182658.00	257055.00	186765.00	231803.00	247960.00	249777.00	263272.00	261229.00	224568.00	231161.00	157286.00	181566.00	247654.00	236216.00	245337.00	231544.00	232590.00	162425.00	240848.00	216192.00	245891.00	236342.00	167684.00	221526.00	221506.00	213951.00	193794.00	193477.00	175275.00	153309.00	223909.00	218561.00	53711.00	67491.00	161487.00	173015.00	240805.00	156354.00	64913.00	223713.00	66257.00	208295.00	216301.00	200964.00	53986.00	210014.00	223325.00	228970.00	209568.00	215716.00
C9 H2 N2 O5 S Esi-0.8370006	123197.00	60141.00	631919.00	632098.00	699979.00	708315.00	724540.00	728630.00	775687.00	756063.00	938276.00	49762.00	790485.00	125907.00	140112.00	122147.00	71539.00	38528.00	126162.00	147585.00	744627.00	740208.00	117085.00	120575.00	911623.00	915787.00	140433.00	652641.00	132697.00	113385.00	684128.00	697039.00	712743.00	708252.00	122203.00	118200.00	137285.00	107388.00	133801.00	709306.00	751517.00	726118.00	695142.00	667003.00	913443.00	132379.00	719606.00	135111.00	777179.00	774425.00	925359.00	71329.00	129827.00	685138.00
Taurocholic acid	51265.00	48296.00	84865.00	87933.00	50940.00	46526.00	76022.00	75099.00	89031.00	91188.00	25215.00	19764.00	12027.00	15627.00	25992.00	26620.00	22254.00	25518.00	106453.00	104931.00	16605.00	14883.00	29216.00	27002.00	1.00	1.00	23433.00	24564.00	27641.00	27625.00	36219.00	36477.00	25598.00	26509.00	91878.00	88095.00	24612.00	26057.00	137643.00	143755.00	35121.00	35673.00	33060.00	32247.00	37090.00	37611.00	11789.00	11363.00	31432.00	31228.00	13128.00	11003.00	11507.00	12509.00
2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-2,4-dienoate	121953.00	123770.00	59924.00	64137.00	69034.00	65516.00	86266.00	81684.00	105337.00	110038.00	117667.00	128654.00	83291.00	85388.00	90327.00	97245.00	124918.00	133608.00	82935.00	77976.00	98585.00	99193.00	119063.00	121398.00	142155.00	138581.00	93483.00	93631.00	86168.00	81119.00	90174.00	89667.00	82078.00	85396.00	111007.00	107027.00	125148.00	134682.00	96647.00	93361.00	98759.00	96894.00	88914.00	90440.00	118505.00	112598.00	114711.00	114644.00	116495.00	120021.00	148705.00	144781.00	98421.00	90197.00
C22 H40 N7 O3 Esi-13.9769945	19008.00	28216.00	116205.00	60402.00	139990.00	98154.00	149518.00	696190.00	92330.00	57837.00	27859.00	25333.00	74201.00	77913.00	65429.00	27354.00	46228.00	41424.00	159486.00	129404.00	219555.00	21475.00	26673.00	45411.00	64115.00	18577.00	177515.00	94382.00	542894.00	619019.00	65030.00	216185.00	162869.00	1.00	54064.00	102239.00	21178.00	38944.00	107750.00	109056.00	98858.00	34586.00	104188.00	30202.00	40258.00	42189.00	40191.00	1.00	29769.00	1.00	100983.00	42184.00	234964.00	61167.00
(6S)-dehydrovomifoliol	64830.00	50296.00	64564.00	62316.00	58802.00	49219.00	45310.00	79146.00	51868.00	66252.00	64426.00	50194.00	78109.00	74909.00	64671.00	71898.00	104324.00	102003.00	27727.00	27612.00	81898.00	76185.00	64495.00	53707.00	128859.00	143671.00	91631.00	63713.00	76902.00	54039.00	99623.00	103681.00	46650.00	40733.00	56535.00	31788.00	42235.00	41953.00	73600.00	51140.00	68936.00	67198.00	93046.00	65465.00	43292.00	35766.00	55407.00	72696.00	27231.00	35643.00	81540.00	93631.00	78950.00	64662.00
Met His Arg	1.00	1.00	28347.00	12250.00	38465.00	18723.00	11713.00	55760.00	23478.00	40828.00	1.00	1.00	33751.00	9208.00	1.00	1.00	13651.00	11466.00	62157.00	24716.00	96719.00	13693.00	1.00	1.00	13905.00	1.00	49234.00	15055.00	117061.00	117092.00	12833.00	51013.00	106922.00	20949.00	1.00	29693.00	1.00	1.00	44654.00	22077.00	32903.00	10572.00	42661.00	8846.00	1.00	1.00	1.00	1.00	1.00	1.00	13149.00	1.00	111138.00	19968.00
C12 H2 O3	871026.00	876978.00	586535.00	582163.00	606894.00	625101.00	668467.00	672293.00	670350.00	660593.00	827326.00	823992.00	665849.00	660912.00	851237.00	849114.00	817305.00	836861.00	626454.00	647164.00	640471.00	638536.00	836783.00	839315.00	792638.00	798780.00	606712.00	587079.00	589544.00	578585.00	655028.00	675897.00	607487.00	615299.00	703438.00	691815.00	806524.00	818229.00	607123.00	626960.00	665040.00	642568.00	625445.00	559031.00	799454.00	809631.00	644925.00	638805.00	681131.00	682981.00	846336.00	804529.00	596918.00	635430.00
Furfural diethyl acetal	40404.00	45771.00	79144.00	73170.00	133364.00	140526.00	72002.00	105564.00	57245.00	56110.00	52904.00	47296.00	102959.00	108367.00	56992.00	64484.00	52653.00	56776.00	97535.00	95501.00	66889.00	59969.00	40765.00	44076.00	71225.00	80556.00	66730.00	62837.00	75683.00	86433.00	108343.00	111408.00	100935.00	80337.00	101365.00	102002.00	51702.00	54915.00	75160.00	70986.00	50400.00	49071.00	51638.00	49234.00	96018.00	100038.00	65592.00	65490.00	102595.00	84778.00	85124.00	87308.00	98081.00	87024.00
C6 H4 N O2 S3	197546.00	186914.00	203432.00	194907.00	194052.00	185864.00	187388.00	183994.00	189020.00	182935.00	175842.00	180775.00	195228.00	210645.00	206299.00	188558.00	206554.00	191356.00	194445.00	218028.00	208563.00	234547.00	203035.00	196735.00	200808.00	190749.00	226959.00	225151.00	213429.00	211647.00	209376.00	193735.00	197688.00	201722.00	209560.00	180174.00	185620.00	174551.00	220507.00	219995.00	236351.00	217776.00	216901.00	216626.00	199233.00	180620.00	178079.00	231143.00	216732.00	230302.00	228677.00	213472.00	209970.00	184299.00
C9 H18 O7	66003.00	74674.00	38545.00	39099.00	58857.00	57464.00	54517.00	54560.00	69532.00	64128.00	59623.00	58205.00	35823.00	34794.00	37117.00	33708.00	100225.00	101585.00	32790.00	38640.00	98996.00	100890.00	56155.00	55522.00	74345.00	69880.00	41469.00	45303.00	132517.00	138202.00	36278.00	35273.00	33139.00	34470.00	49561.00	46553.00	116768.00	111956.00	126931.00	126394.00	63343.00	61006.00	108819.00	108380.00	62512.00	62638.00	55328.00	58231.00	43969.00	42859.00	105588.00	103754.00	68265.00	73334.00
C39 H53 N O7	1.00	1.00	50340.00	36448.00	60823.00	33913.00	49074.00	173840.00	34073.00	49625.00	1.00	1.00	59984.00	23192.00	1.00	1.00	23549.00	16236.00	60110.00	28444.00	81327.00	14992.00	1.00	1.00	18487.00	12977.00	90177.00	36053.00	159595.00	188812.00	44915.00	104090.00	65918.00	19668.00	15932.00	44053.00	1.00	1.00	54781.00	29715.00	30902.00	10907.00	47153.00	12231.00	1.00	1.00	1.00	1.00	16152.00	12192.00	26910.00	16531.00	113095.00	31091.00
C26 H42 N6 O4 S	1.00	1.00	34792.00	15050.00	52199.00	26193.00	50098.00	140952.00	22887.00	39216.00	1.00	1.00	49492.00	11018.00	1.00	1.00	10275.00	1.00	68134.00	30026.00	73856.00	13098.00	1.00	1.00	16351.00	10224.00	89566.00	36080.00	113029.00	107308.00	15795.00	55958.00	63938.00	14802.00	1.00	36857.00	1.00	1.00	61103.00	31748.00	39987.00	13790.00	43918.00	10685.00	1.00	1.00	1.00	1.00	10145.00	1.00	21536.00	13402.00	79158.00	19870.00
C5 H2 Cl2 N4 S5	109283.00	111821.00	101751.00	110750.00	114826.00	114048.00	118803.00	113556.00	111549.00	103311.00	119329.00	121869.00	113969.00	107383.00	119840.00	124073.00	120038.00	122821.00	108185.00	113192.00	114469.00	117299.00	121637.00	127538.00	127912.00	126946.00	116813.00	120462.00	116522.00	121280.00	116249.00	121532.00	117379.00	120139.00	121511.00	127000.00	127761.00	124125.00	117099.00	122859.00	118631.00	119640.00	120818.00	121686.00	131955.00	118830.00	118407.00	122383.00	120035.00	123425.00	122966.00	132047.00	116891.00	119538.00
C4 H4 S3	20342.00	57717.00	37897.00	85519.00	56116.00	57544.00	29308.00	87369.00	25157.00	38323.00	49019.00	33174.00	35703.00	43069.00	56925.00	36646.00	58258.00	19559.00	95981.00	103989.00	27080.00	34557.00	22946.00	31915.00	23628.00	41742.00	38435.00	42948.00	100053.00	33679.00	94291.00	92467.00	38052.00	91548.00	35378.00	89972.00	41104.00	69200.00	85253.00	42253.00	59774.00	33950.00	85868.00	62933.00	18278.00	27940.00	79509.00	27568.00	36680.00	78551.00	49945.00	53907.00	83926.00	41337.00
Ser Trp Met	65764.00	64671.00	72174.00	77873.00	80732.00	78201.00	73090.00	65006.00	68657.00	67277.00	90475.00	88902.00	81357.00	81478.00	73513.00	72948.00	79137.00	86806.00	78944.00	75580.00	73846.00	83041.00	76765.00	74335.00	81429.00	86598.00	98961.00	101436.00	83741.00	80127.00	81502.00	80892.00	102522.00	106192.00	97847.00	97087.00	83218.00	82700.00	92970.00	93542.00	83771.00	87701.00	99506.00	93449.00	127616.00	125341.00	92753.00	92118.00	92679.00	92962.00	84068.00	84773.00	96434.00	91571.00
Proline	81849.00	79536.00	79224.00	85695.00	96230.00	96771.00	97061.00	93588.00	89499.00	91651.00	123747.00	127522.00	106297.00	105952.00	73770.00	73342.00	87257.00	88487.00	96399.00	96185.00	102418.00	102155.00	81317.00	78222.00	99810.00	98675.00	115349.00	114064.00	119292.00	119791.00	96869.00	94987.00	145397.00	146004.00	98402.00	98309.00	89059.00	99648.00	102598.00	108760.00	108525.00	111390.00	104693.00	107815.00	96051.00	98412.00	108228.00	116283.00	115536.00	114970.00	100846.00	111749.00	100814.00	103539.00
C22 H44 O8 Esi-12.528999	1.00	1.00	24306.00	13965.00	26121.00	14169.00	29634.00	123823.00	14288.00	19818.00	1.00	1.00	41553.00	1.00	1.00	1.00	1.00	1.00	44462.00	20849.00	86841.00	14160.00	1.00	1.00	12927.00	1.00	50033.00	16806.00	104663.00	117071.00	1.00	55083.00	39178.00	9541.00	9270.00	25347.00	1.00	1.00	39311.00	20575.00	15044.00	1.00	30588.00	1.00	1.00	1.00	1.00	1.00	9946.00	1.00	15415.00	1.00	80962.00	16994.00
PE(18:0/0:0) Esi-11.605995	1.00	1.00	32384.00	21578.00	40888.00	29515.00	37270.00	114515.00	20903.00	30270.00	1.00	1.00	36035.00	22523.00	1.00	1.00	11974.00	1.00	44885.00	26618.00	57990.00	16252.00	1.00	1.00	12581.00	1.00	59213.00	27498.00	108352.00	121287.00	19172.00	49718.00	47203.00	22308.00	16451.00	34055.00	1.00	1.00	34523.00	19929.00	26068.00	14281.00	26449.00	11223.00	1.00	1.00	11361.00	12983.00	17501.00	17420.00	17222.00	1.00	79140.00	24105.00
C10 H Cl3 N O3 S4	112304.00	121208.00	95673.00	97117.00	100803.00	98582.00	105340.00	106980.00	97210.00	97245.00	120565.00	120997.00	104423.00	102544.00	120287.00	121795.00	119509.00	122277.00	94766.00	102598.00	107608.00	105500.00	122927.00	126880.00	118523.00	119980.00	91837.00	96954.00	92839.00	94900.00	100739.00	103643.00	100301.00	100547.00	106483.00	110820.00	113039.00	115746.00	99663.00	103126.00	110541.00	106884.00	103893.00	99430.00	117942.00	112252.00	100280.00	98642.00	106910.00	104375.00	118978.00	119379.00	99951.00	102335.00
L-Glyceric acid Esi-0.92399985	372583.00	384209.00	206577.00	200301.00	157349.00	154639.00	214622.00	208976.00	247705.00	253004.00	333674.00	348787.00	250957.00	250322.00	371376.00	381343.00	370058.00	366483.00	225622.00	222717.00	220674.00	221235.00	398902.00	385861.00	385125.00	386629.00	208471.00	205489.00	200416.00	202923.00	238300.00	237459.00	204179.00	215691.00	271144.00	272133.00	363052.00	380645.00	234185.00	239051.00	247630.00	243088.00	232388.00	226491.00	385691.00	379990.00	268121.00	263956.00	257809.00	269577.00	351638.00	364922.00	214030.00	211138.00
C20 H53 N14 O11	1.00	1.00	44348.00	38807.00	45805.00	27639.00	42060.00	161222.00	32578.00	50792.00	1.00	1.00	50982.00	26491.00	1.00	1.00	30161.00	25478.00	48374.00	31047.00	109114.00	25114.00	1.00	1.00	27668.00	21773.00	80138.00	39883.00	143611.00	158636.00	35684.00	68374.00	51389.00	21647.00	16948.00	37121.00	1.00	1.00	51450.00	36868.00	35775.00	18099.00	45114.00	20249.00	1.00	1.00	12535.00	13501.00	17380.00	13246.00	28658.00	15626.00	88444.00	31584.00
Phytuberin Esi-14.12099	20016.00	19608.00	61601.00	45400.00	117917.00	72555.00	98078.00	1.00	67235.00	72784.00	24651.00	23843.00	96461.00	39444.00	16821.00	20079.00	40151.00	33620.00	125283.00	77869.00	257294.00	38944.00	25011.00	22023.00	36797.00	27031.00	114855.00	46013.00	491571.00	228755.00	98788.00	143053.00	105430.00	33173.00	27735.00	88014.00	24671.00	19522.00	110785.00	70614.00	63453.00	27269.00	72412.00	23304.00	30965.00	15561.00	23787.00	22302.00	25566.00	22987.00	67562.00	48130.00	349518.00	53058.00
3-oxo-4-methyl-pentanoic acid Esi-3.8899996	59919.00	57674.00	47381.00	46412.00	84996.00	85775.00	75164.00	74487.00	85332.00	89183.00	103177.00	105971.00	35397.00	39616.00	78057.00	79986.00	75386.00	72883.00	113702.00	115149.00	67005.00	66570.00	136509.00	136136.00	75470.00	70139.00	118204.00	117635.00	65398.00	59418.00	65539.00	59224.00	73870.00	66322.00	91930.00	85533.00	91159.00	97110.00	93699.00	98803.00	80089.00	73502.00	63953.00	60391.00	67270.00	63538.00	104756.00	104756.00	89447.00	86866.00	109866.00	111780.00	83320.00	85099.00
C14 H26 Cl N3 O2 S2	45531.00	42942.00	167848.00	163718.00	182206.00	178912.00	158359.00	153328.00	105572.00	105046.00	54920.00	62503.00	73395.00	75636.00	35290.00	34897.00	55724.00	53794.00	119908.00	120040.00	172051.00	167694.00	38782.00	38256.00	64864.00	67011.00	183467.00	184177.00	143738.00	141776.00	117490.00	120893.00	152218.00	154048.00	88272.00	89555.00	61553.00	64091.00	129723.00	131984.00	92379.00	96322.00	112009.00	113167.00	49663.00	50659.00	166056.00	166111.00	107339.00	113402.00	75744.00	75679.00	169622.00	169544.00
Thysanone	112726.00	119096.00	27664.00	28883.00	33514.00	32602.00	61177.00	60906.00	95618.00	89616.00	108503.00	106832.00	75536.00	73698.00	87293.00	83635.00	110356.00	114484.00	56254.00	55868.00	67868.00	65890.00	106442.00	104943.00	117306.00	118731.00	64892.00	65154.00	59830.00	59726.00	69201.00	71137.00	52802.00	50495.00	82680.00	84815.00	111881.00	117552.00	76030.00	74580.00	76000.00	76488.00	69177.00	64193.00	100429.00	102514.00	82016.00	81791.00	93482.00	91756.00	121793.00	127366.00	63068.00	62848.00
C3 H6 N3 S	103393.00	101512.00	26555.00	34780.00	33514.00	33262.00	48450.00	44414.00	67559.00	77104.00	83383.00	94454.00	61919.00	65694.00	79216.00	76363.00	95736.00	102984.00	49792.00	47237.00	50174.00	60681.00	97246.00	94981.00	97296.00	94044.00	54005.00	49487.00	46012.00	51012.00	61107.00	52307.00	44065.00	51014.00	61011.00	67295.00	93117.00	101107.00	55679.00	67187.00	65786.00	58850.00	67654.00	57552.00	93855.00	94576.00	69877.00	71648.00	78141.00	82507.00	98638.00	100920.00	53537.00	52257.00
C11 H4 Cl2 N3 O S5	129852.00	130154.00	102184.00	99385.00	109064.00	105881.00	112425.00	117131.00	111966.00	107791.00	127290.00	127804.00	116266.00	109702.00	131831.00	125718.00	128958.00	132144.00	104781.00	105354.00	111095.00	106668.00	133053.00	131933.00	134677.00	134719.00	108053.00	112976.00	109073.00	108682.00	115207.00	113249.00	113161.00	116980.00	123255.00	125518.00	131564.00	127610.00	110524.00	110068.00	111009.00	122820.00	103588.00	110860.00	135455.00	130115.00	112519.00	119931.00	116951.00	122211.00	133965.00	132883.00	106143.00	110742.00
C3 H2 N3 O S3	18217.00	19331.00	50098.00	42534.00	58627.00	108189.00	71593.00	86753.00	23422.00	76804.00	67105.00	20242.00	86778.00	45941.00	53351.00	24578.00	61475.00	48913.00	114871.00	64374.00	31095.00	35812.00	51523.00	59108.00	54056.00	70685.00	83144.00	90533.00	36142.00	96558.00	28707.00	81967.00	92029.00	46179.00	24398.00	48058.00	28408.00	81082.00	41773.00	86965.00	20740.00	70475.00	72293.00	26156.00	53369.00	47214.00	26060.00	68230.00	88211.00	78931.00	74967.00	33644.00	44198.00	48292.00
C9 N O3 S2	90385.00	95731.00	1.00	1.00	1.00	1.00	11279.00	11758.00	36232.00	36589.00	78562.00	83783.00	17679.00	21203.00	80547.00	77073.00	75133.00	71039.00	1.00	1.00	15036.00	12308.00	88715.00	85670.00	82372.00	81125.00	14037.00	18942.00	18269.00	19786.00	24570.00	25619.00	1.00	11988.00	24559.00	23786.00	66651.00	70842.00	22007.00	23689.00	21686.00	26233.00	26926.00	25580.00	78520.00	74178.00	27557.00	19971.00	26488.00	21333.00	67939.00	69145.00	18099.00	16544.00
C16 H7 Cl3 N O S5	122177.00	118872.00	90845.00	91996.00	96034.00	94660.00	99977.00	102502.00	99999.00	96662.00	122472.00	121698.00	105015.00	100315.00	126660.00	118585.00	122976.00	126056.00	98707.00	95053.00	105739.00	103025.00	133906.00	129476.00	127861.00	132401.00	101393.00	100058.00	101338.00	95309.00	102660.00	105389.00	107381.00	106572.00	110691.00	116358.00	129765.00	126656.00	101444.00	100559.00	105547.00	110776.00	100777.00	101483.00	129665.00	127256.00	102455.00	108421.00	108078.00	106101.00	123574.00	128982.00	102703.00	104138.00
TG(22:2(13Z,16Z)/22:2(13Z,16Z)/22:2(13Z,16Z))	1.00	1.00	10264.00	1.00	18519.00	8272.00	14219.00	120517.00	6483.00	10291.00	289.00	1.00	15190.00	1.00	1.00	1.00	1.00	1.00	23148.00	5861.00	35089.00	1.00	1.00	1.00	1.00	1.00	31862.00	6288.00	77695.00	88778.00	1.00	22597.00	21672.00	1.00	1.00	11694.00	1.00	1.00	11418.00	4370.00	3321.00	1.00	6946.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	3228.00	1.00	44781.00	1.00
C3 H2 N3 O3	169526.00	130502.00	167099.00	152045.00	155830.00	118580.00	160013.00	164872.00	157318.00	129406.00	171367.00	128817.00	146417.00	155059.00	150047.00	125519.00	155268.00	158937.00	124123.00	150205.00	126593.00	165035.00	162233.00	168013.00	138880.00	146992.00	125194.00	124507.00	119930.00	149721.00	126516.00	147048.00	121106.00	133455.00	130267.00	136352.00	152084.00	168724.00	164116.00	146557.00	150664.00	177479.00	127977.00	128147.00	144456.00	134583.00	129286.00	134299.00	129272.00	136032.00	140946.00	151330.00	135407.00	128392.00
C7 H12 N5 O3	79582.00	84925.00	97323.00	102831.00	104802.00	103367.00	74956.00	71091.00	99413.00	96002.00	91351.00	95081.00	112694.00	107960.00	51537.00	54856.00	90832.00	91521.00	77004.00	82308.00	92818.00	92532.00	53492.00	49744.00	91783.00	99079.00	92772.00	93252.00	128229.00	125722.00	107056.00	96416.00	121871.00	123218.00	92507.00	102132.00	109818.00	114700.00	89643.00	96867.00	130029.00	115377.00	104225.00	95592.00	129835.00	120103.00	82921.00	92057.00	111591.00	110072.00	87270.00	85988.00	106978.00	108868.00
C21 H30 N6	11092.00	10099.00	29929.00	19862.00	38067.00	33405.00	35310.00	117396.00	28048.00	30474.00	1.00	14520.00	33044.00	24132.00	10092.00	9198.00	16244.00	14407.00	45798.00	33441.00	45939.00	17260.00	17275.00	19536.00	16658.00	14665.00	47658.00	30850.00	83166.00	85787.00	24712.00	42584.00	41912.00	18584.00	21913.00	37903.00	10210.00	17132.00	38130.00	32647.00	32835.00	17511.00	37242.00	17637.00	1.00	1.00	9896.00	11048.00	25282.00	25903.00	29556.00	22465.00	59069.00	28018.00
C15 H5 Cl3 N3 S5	141903.00	142268.00	95984.00	94172.00	104337.00	100273.00	108982.00	107592.00	108256.00	104042.00	134645.00	136708.00	115185.00	111805.00	143390.00	135812.00	133343.00	135561.00	101563.00	104972.00	108813.00	110910.00	137045.00	138643.00	139223.00	141111.00	104907.00	109546.00	96842.00	102511.00	108356.00	108539.00	106792.00	108068.00	119664.00	119622.00	129504.00	132827.00	104701.00	102587.00	108507.00	110386.00	99633.00	100812.00	133683.00	133794.00	109405.00	110662.00	114455.00	114740.00	143215.00	138478.00	106896.00	104260.00
PGA2 methyl ester	1.00	1.00	1.00	1.00	1.00	1.00	1.00	37360.00	11518.00	15881.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	27740.00	12105.00	75554.00	10881.00	1.00	1.00	10331.00	1.00	59694.00	22284.00	116099.00	118241.00	1.00	21511.00	14324.00	1.00	1.00	1.00	1.00	1.00	53935.00	26133.00	35332.00	12613.00	51023.00	13885.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	71555.00	15842.00
Alanine	60783.00	62094.00	96248.00	101547.00	85491.00	82762.00	73855.00	75968.00	88500.00	85442.00	79482.00	81883.00	65544.00	62067.00	43625.00	41312.00	81072.00	85536.00	62463.00	58761.00	70829.00	74935.00	57089.00	51763.00	76419.00	73535.00	72945.00	83946.00	79378.00	76849.00	82266.00	84397.00	86470.00	89471.00	86166.00	85099.00	57307.00	53453.00	68118.00	72039.00	61759.00	67272.00	71830.00	73010.00	81419.00	80425.00	92164.00	89275.00	88339.00	88836.00	69446.00	66924.00	69415.00	67116.00
C14 H Cl N O3 S5	129794.00	128878.00	97915.00	98136.00	102573.00	101567.00	105081.00	110119.00	106293.00	102775.00	129196.00	128438.00	111898.00	109066.00	129172.00	140264.00	133547.00	139676.00	108229.00	105635.00	112144.00	116062.00	143319.00	139085.00	138559.00	138287.00	110061.00	110447.00	106540.00	107562.00	111673.00	111579.00	110759.00	116021.00	117781.00	124244.00	134925.00	136668.00	114057.00	111653.00	117986.00	116424.00	110029.00	106537.00	131867.00	139672.00	110837.00	113394.00	117836.00	116796.00	136523.00	140334.00	109047.00	114196.00
C30 H57 N16 O3 S	1.00	1.00	35057.00	20597.00	57676.00	44596.00	45740.00	171985.00	48208.00	77680.00	1.00	23790.00	86894.00	28260.00	1.00	1.00	18543.00	14748.00	77640.00	43833.00	90580.00	20619.00	17326.00	14834.00	23105.00	16430.00	77721.00	34074.00	143701.00	199424.00	34245.00	90073.00	69272.00	26719.00	24430.00	44533.00	1.00	1.00	62187.00	30199.00	36678.00	20636.00	43803.00	18723.00	1.00	1.00	1.00	1.00	17058.00	16029.00	38862.00	20739.00	125244.00	42649.00
?-D-Glucose Esi-1.0919994	1.00	1.00	1.00	102029.00	129984.00	113057.00	99417.00	1.00	102778.00	108924.00	102154.00	98753.00	104673.00	83799.00	67710.00	1.00	1.00	130902.00	1.00	103037.00	143306.00	176894.00	88214.00	92923.00	115391.00	144898.00	114372.00	131593.00	100978.00	1.00	71893.00	1.00	118867.00	117921.00	113060.00	114350.00	102568.00	97666.00	99135.00	94850.00	87626.00	110658.00	84369.00	89220.00	1.00	76862.00	162371.00	139651.00	120707.00	140834.00	117694.00	114506.00	127717.00	109755.00
C10 H7 N S	93836.00	90285.00	93549.00	93533.00	102102.00	96846.00	95563.00	93982.00	121972.00	112551.00	122154.00	131391.00	106484.00	104237.00	77444.00	82793.00	108199.00	117700.00	91917.00	93431.00	99886.00	100327.00	91182.00	94094.00	108659.00	106225.00	105897.00	110952.00	122465.00	127187.00	120323.00	115195.00	123429.00	116105.00	106052.00	104020.00	105444.00	109487.00	129519.00	131987.00	112712.00	108680.00	99110.00	99452.00	93142.00	90195.00	96089.00	92696.00	97439.00	97936.00	95216.00	99653.00	110494.00	109712.00
C49 H57 N5 O S	1.00	1.00	38660.00	19669.00	89087.00	57570.00	56745.00	183069.00	51729.00	80458.00	1.00	1.00	80368.00	29253.00	1.00	1.00	29325.00	18631.00	83118.00	40708.00	91478.00	17910.00	1.00	1.00	31776.00	19869.00	86938.00	31534.00	189454.00	211218.00	57005.00	120374.00	99411.00	27977.00	20244.00	76398.00	1.00	1.00	62235.00	40341.00	41297.00	1.00	47711.00	1.00	1.00	1.00	1.00	1.00	21004.00	1.00	66045.00	28966.00	158417.00	43480.00
Penicillamine	110838.00	112040.00	90152.00	90666.00	90872.00	91388.00	86103.00	83422.00	93599.00	92704.00	129775.00	133128.00	111440.00	103365.00	89264.00	97378.00	79345.00	78016.00	85793.00	85593.00	79960.00	74753.00	78502.00	86315.00	85649.00	87938.00	100371.00	96237.00	93191.00	93238.00	79734.00	81096.00	98785.00	99331.00	76219.00	79275.00	87179.00	86382.00	89767.00	93676.00	104924.00	100063.00	92746.00	90575.00	94651.00	82375.00	79648.00	86937.00	84455.00	89044.00	92732.00	91478.00	93187.00	85528.00
C33 H61 N9 O4 S2	1.00	1.00	32095.00	19517.00	47935.00	30449.00	35926.00	134599.00	19554.00	38640.00	1.00	1.00	47738.00	18639.00	1.00	1.00	15743.00	13736.00	47676.00	21991.00	62810.00	11527.00	1.00	1.00	1.00	1.00	73884.00	23763.00	121401.00	139570.00	32035.00	101924.00	52861.00	13092.00	12886.00	49409.00	1.00	1.00	42216.00	20236.00	19213.00	1.00	20809.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	26872.00	12637.00	100482.00	23382.00
Phytuberin Esi-13.445005 :1	67094.00	63901.00	111558.00	97554.00	135414.00	104753.00	144510.00	1.00	160285.00	200134.00	72067.00	73627.00	163332.00	107129.00	56937.00	72456.00	122446.00	90316.00	241616.00	150428.00	305064.00	103152.00	81299.00	74978.00	120816.00	94313.00	300659.00	142945.00	429533.00	221217.00	197701.00	241160.00	194381.00	94418.00	61060.00	151302.00	60073.00	76053.00	300374.00	185493.00	204061.00	100416.00	232458.00	86294.00	48324.00	48802.00	50444.00	56556.00	61918.00	62332.00	140989.00	106113.00	418360.00	174864.00
Malate	131704.00	141068.00	46179.00	47395.00	53593.00	52749.00	76095.00	78545.00	101201.00	97860.00	133753.00	130783.00	98607.00	97301.00	130915.00	135481.00	142205.00	146274.00	87369.00	88083.00	84069.00	77833.00	150094.00	150768.00	151959.00	152034.00	77624.00	79111.00	88304.00	89473.00	101527.00	100939.00	80165.00	83166.00	108213.00	110821.00	144077.00	144280.00	94946.00	97651.00	105852.00	103865.00	97859.00	97788.00	147678.00	150351.00	101329.00	101910.00	115043.00	112246.00	136063.00	146944.00	90032.00	89947.00
C22 H44 O8 Esi-12.377996	1.00	1.00	21600.00	12448.00	21938.00	13607.00	23831.00	117598.00	12911.00	17637.00	1.00	1.00	34739.00	16642.00	13920.00	12704.00	20052.00	20144.00	35528.00	15454.00	75641.00	15412.00	1.00	1.00	12927.00	1.00	37716.00	13981.00	95419.00	111816.00	20853.00	50749.00	30819.00	8819.00	10649.00	21465.00	8830.00	9776.00	31784.00	18149.00	15099.00	1.00	27095.00	10386.00	1.00	1.00	1.00	1.00	1.00	1.00	14892.00	11501.00	68577.00	14821.00
C4 H6 N3 O5	124821.00	123649.00	1.00	1.00	1.00	1.00	18425.00	20580.00	41451.00	38854.00	91903.00	98252.00	38928.00	40215.00	108403.00	107157.00	100063.00	99382.00	18879.00	20523.00	17867.00	21708.00	121813.00	124127.00	98050.00	94891.00	17656.00	18629.00	21790.00	20473.00	32443.00	31435.00	18035.00	14943.00	41157.00	36003.00	87241.00	91350.00	27794.00	24695.00	33653.00	30625.00	26945.00	27958.00	100939.00	101213.00	32102.00	33193.00	40983.00	40327.00	85625.00	89429.00	18826.00	21611.00
PS(20:1(11Z)/0:0) Esi-9.290001	799019.00	797961.00	467855.00	481657.00	623665.00	618224.00	708317.00	741046.00	620751.00	640954.00	1107569.00	1137775.00	555220.00	608785.00	1341587.00	1293005.00	806369.00	798580.00	697186.00	679790.00	881812.00	855583.00	1110651.00	1123008.00	1481926.00	1478566.00	770516.00	734740.00	845734.00	899832.00	912618.00	962680.00	638534.00	607906.00	681539.00	723144.00	1010258.00	1019827.00	758431.00	749508.00	760297.00	777970.00	752384.00	746326.00	1148414.00	1137179.00	701438.00	707848.00	634556.00	630026.00	1245725.00	1214256.00	832089.00	801466.00
18-hydroxy-9R,10S-epoxy-stearic acid Esi-11.9730015	34743.00	35678.00	15164.00	12416.00	12473.00	43629.00	13684.00	39179.00	23127.00	22487.00	27953.00	27615.00	17477.00	14004.00	41813.00	36443.00	41966.00	40467.00	29555.00	22495.00	44648.00	18873.00	31271.00	30926.00	50572.00	45456.00	46081.00	26223.00	103101.00	125161.00	40191.00	69209.00	14052.00	30368.00	16792.00	21144.00	37109.00	39519.00	61816.00	47365.00	37658.00	32124.00	50846.00	40708.00	38946.00	32419.00	47868.00	36173.00	18627.00	17486.00	38411.00	36193.00	105332.00	43363.00
C22 H40 N7 O3 Esi-13.752008	37934.00	133643.00	170785.00	150516.00	209571.00	195886.00	211502.00	1.00	255267.00	187450.00	48338.00	131695.00	83139.00	140472.00	103060.00	21302.00	149862.00	99172.00	225063.00	167163.00	240491.00	255918.00	149827.00	165429.00	111508.00	78703.00	168088.00	172183.00	1.00	1.00	174846.00	212028.00	209622.00	189126.00	124047.00	187140.00	49444.00	115892.00	154402.00	149098.00	197360.00	102424.00	186094.00	115442.00	54072.00	53527.00	102554.00	85373.00	174610.00	143066.00	149925.00	126830.00	1.00	158627.00
2-Iodophenol	148580.00	146995.00	152327.00	149456.00	153911.00	149829.00	150081.00	136578.00	143789.00	144562.00	144257.00	142978.00	158339.00	155212.00	151955.00	153854.00	151635.00	147973.00	154830.00	168971.00	160773.00	168362.00	140075.00	138899.00	150562.00	145319.00	169179.00	160079.00	152856.00	153453.00	164153.00	155481.00	154518.00	139943.00	157020.00	148078.00	132810.00	138543.00	156778.00	168289.00	178545.00	161097.00	156424.00	166415.00	141914.00	140042.00	138156.00	167323.00	150840.00	168892.00	164243.00	152755.00	160823.00	153523.00
Trifenmorph	96858.00	104285.00	99550.00	104681.00	102500.00	109144.00	103498.00	96912.00	108124.00	104210.00	110919.00	107714.00	93842.00	103558.00	102914.00	106654.00	96007.00	101366.00	102979.00	105301.00	111321.00	110712.00	111396.00	110954.00	104069.00	152272.00	113127.00	112661.00	106174.00	113097.00	111177.00	110295.00	112536.00	108808.00	109290.00	108873.00	113059.00	112713.00	107307.00	111021.00	113899.00	102334.00	97823.00	110889.00	115742.00	108590.00	108138.00	110287.00	100341.00	97633.00	106187.00	116912.00	147226.00	102323.00
4-Sulfobenzyl alcohol Esi-5.085001	77416.00	74843.00	72615.00	71810.00	88295.00	89795.00	50742.00	51712.00	35457.00	38365.00	51988.00	46816.00	43259.00	44940.00	115125.00	120766.00	47590.00	48303.00	81272.00	89566.00	51397.00	51765.00	58304.00	55691.00	60754.00	61078.00	63786.00	60666.00	75978.00	76715.00	72616.00	70303.00	51232.00	49164.00	55182.00	55177.00	70465.00	72031.00	56735.00	59395.00	47569.00	47770.00	48106.00	49245.00	113915.00	108957.00	68491.00	69731.00	51125.00	52797.00	63249.00	67699.00	77064.00	74271.00
C30 H47 N5 O14	12210.00	10787.00	61707.00	60606.00	82067.00	77434.00	90723.00	104112.00	69066.00	75522.00	27510.00	25630.00	66651.00	64104.00	22233.00	19975.00	22557.00	21646.00	97878.00	88598.00	102707.00	76310.00	23729.00	25160.00	29598.00	26543.00	101201.00	78082.00	129892.00	127408.00	56289.00	72848.00	95806.00	80044.00	61086.00	66099.00	21609.00	20182.00	86313.00	77067.00	78193.00	69320.00	72385.00	58690.00	10730.00	1.00	65711.00	62866.00	71639.00	68820.00	20793.00	16653.00	104017.00	74179.00
THTA	70586.00	76316.00	195933.00	194880.00	210888.00	214974.00	277723.00	277457.00	287721.00	310989.00	82746.00	81238.00	81064.00	82278.00	117575.00	110726.00	94655.00	93386.00	243856.00	251166.00	299760.00	299198.00	90038.00	83325.00	65376.00	64059.00	317771.00	324734.00	267240.00	266775.00	236091.00	252412.00	255722.00	256695.00	262748.00	251862.00	46748.00	50716.00	290182.00	254251.00	286160.00	256189.00	267376.00	238158.00	54662.00	58131.00	301181.00	302884.00	309173.00	304117.00	75223.00	73102.00	300720.00	304056.00
C34 H56 N6 O8	1.00	1.00	14621.00	1.00	32729.00	18758.00	35282.00	128971.00	16087.00	24424.00	1.00	1.00	23034.00	1.00	1.00	1.00	1.00	1.00	51221.00	23080.00	55062.00	1.00	1.00	1.00	1.00	1.00	42719.00	1.00	75783.00	73986.00	1.00	39007.00	42725.00	1.00	1.00	27088.00	1.00	1.00	29312.00	1.00	18827.00	1.00	19836.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	54786.00	1.00
Citrulline	68498.00	70997.00	72413.00	78151.00	90285.00	92899.00	72594.00	68491.00	83344.00	80509.00	78065.00	83541.00	91045.00	91841.00	70434.00	65622.00	90506.00	89939.00	74209.00	71484.00	86912.00	88883.00	63278.00	66186.00	91759.00	87759.00	99523.00	95431.00	117398.00	120688.00	92480.00	89664.00	92093.00	94533.00	72650.00	73718.00	92184.00	95916.00	90928.00	90235.00	100003.00	101636.00	96521.00	99242.00	104160.00	106184.00	98345.00	106266.00	92792.00	90655.00	85875.00	91270.00	85733.00	89227.00
C33 H50 N S Esi-13.752995 :1	166694.00	96662.00	255897.00	239375.00	520239.00	439997.00	274659.00	1.00	470004.00	519852.00	405510.00	159141.00	183133.00	235141.00	196422.00	44959.00	188778.00	109916.00	577013.00	659559.00	467667.00	454169.00	500852.00	416900.00	549216.00	193177.00	589330.00	347476.00	1.00	1.00	387437.00	426225.00	580955.00	535576.00	189030.00	240892.00	65619.00	329932.00	471482.00	932673.00	211016.00	299576.00	419681.00	149661.00	320973.00	45245.00	332016.00	138393.00	416064.00	248119.00	313199.00	302456.00	1.00	551375.00
PI(20:2(11Z,14Z)/0:0)	1.00	1.00	21678.00	1.00	37253.00	19485.00	31849.00	137565.00	23725.00	35200.00	1.00	1.00	32939.00	1.00	1.00	1.00	1.00	1.00	44562.00	17256.00	59691.00	1.00	1.00	1.00	1.00	1.00	60410.00	18122.00	114215.00	131434.00	17867.00	56208.00	43873.00	1.00	1.00	31356.00	1.00	1.00	35694.00	19815.00	19419.00	1.00	24910.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	18892.00	1.00	94573.00	19860.00
C33 H53 N3 O9	1.00	1.00	49123.00	38875.00	48996.00	34046.00	49944.00	149213.00	24890.00	34326.00	1.00	1.00	49900.00	25658.00	1.00	1.00	22648.00	20983.00	54043.00	24235.00	56363.00	18416.00	1.00	1.00	18956.00	13252.00	76253.00	29378.00	142561.00	166956.00	44029.00	90259.00	47977.00	17514.00	18832.00	41187.00	1.00	1.00	57002.00	29461.00	29800.00	14590.00	41508.00	16861.00	1.00	1.00	1.00	1.00	14247.00	16375.00	28774.00	14796.00	96462.00	29724.00
2-(Acetamidomethylene)succinate	99392.00	99226.00	83001.00	85365.00	104282.00	101733.00	93352.00	90324.00	100091.00	100018.00	124384.00	123157.00	119796.00	122612.00	94303.00	89058.00	114590.00	117753.00	83396.00	89444.00	98401.00	100485.00	90991.00	95506.00	126306.00	117579.00	135278.00	133155.00	140409.00	140273.00	104881.00	107166.00	137806.00	138052.00	100803.00	97163.00	112822.00	112495.00	98650.00	102762.00	116376.00	125887.00	110495.00	111374.00	107312.00	107543.00	106610.00	108897.00	114224.00	112639.00	108329.00	108811.00	108834.00	102778.00
C47 H80 N4 S2	1.00	1.00	39301.00	37569.00	53516.00	51489.00	36565.00	349246.00	52150.00	47500.00	1.00	1.00	42089.00	1.00	1.00	1.00	1.00	1.00	68584.00	22736.00	169560.00	1.00	1.00	1.00	44155.00	1.00	69625.00	1.00	125796.00	114347.00	57518.00	84421.00	119078.00	30831.00	1.00	37869.00	1.00	41264.00	86982.00	19142.00	67141.00	1.00	31821.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	27369.00	1.00	254565.00	18651.00
C6 H2 N4 O3 S	111428.00	114822.00	18204.00	17370.00	21425.00	21367.00	46324.00	48471.00	58922.00	56049.00	102619.00	107746.00	43608.00	43764.00	104595.00	110279.00	96346.00	103974.00	42444.00	39973.00	40303.00	35657.00	118017.00	126038.00	116574.00	118863.00	34945.00	38260.00	42449.00	46138.00	64660.00	63062.00	30457.00	33583.00	61388.00	67811.00	121012.00	124377.00	52765.00	50999.00	47849.00	46758.00	47506.00	44292.00	122707.00	127207.00	55431.00	57798.00	58874.00	57173.00	117307.00	115351.00	47550.00	54032.00
C32 H51 N15 O3	1.00	1.00	34657.00	18969.00	32766.00	23492.00	37074.00	140263.00	23666.00	36291.00	1.00	1.00	34859.00	14027.00	1.00	1.00	29066.00	1.00	53514.00	25444.00	92128.00	14370.00	1.00	1.00	22761.00	1.00	80626.00	29380.00	139990.00	137649.00	24869.00	60833.00	47656.00	12770.00	1.00	33261.00	1.00	1.00	46103.00	20704.00	32820.00	1.00	40275.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	21922.00	1.00	76695.00	16063.00
C3 H4 N2 O5 S Esi-0.9589997	90911.00	134581.00	149431.00	116670.00	98680.00	116116.00	117647.00	113592.00	109020.00	93424.00	121573.00	104470.00	109529.00	115733.00	159246.00	126979.00	119238.00	128876.00	95029.00	114320.00	152004.00	131232.00	94370.00	71999.00	120523.00	118167.00	103514.00	96426.00	98219.00	115899.00	119909.00	119848.00	122834.00	119223.00	105655.00	103143.00	160784.00	110031.00	117417.00	96583.00	121044.00	124773.00	122303.00	100777.00	156094.00	82596.00	122226.00	105399.00	90559.00	108100.00	121459.00	144406.00	131898.00	96032.00
C31 H49 N17 O2	1.00	1.00	25721.00	18642.00	70773.00	48899.00	46965.00	152348.00	22764.00	38215.00	1.00	13292.00	50148.00	25788.00	1.00	1.00	13248.00	1.00	61846.00	32537.00	40744.00	12264.00	1.00	1.00	13961.00	11750.00	42416.00	16559.00	108793.00	106679.00	30540.00	77248.00	58775.00	19999.00	17889.00	48897.00	1.00	1.00	40545.00	24805.00	24278.00	1.00	22115.00	1.00	1.00	1.00	1.00	1.00	23886.00	16810.00	30782.00	18923.00	85787.00	28855.00
Indole-3-acetaldoxime N-oxide	11462.00	13565.00	7725.00	7207.00	33325.00	35235.00	32776.00	33408.00	1.00	1.00	4160.00	3839.00	1.00	1.00	60146.00	60575.00	1.00	1.00	111002.00	116644.00	1.00	1.00	9251.00	10547.00	1.00	1.00	5800.00	5999.00	11852.00	12282.00	3573.00	4773.00	1.00	4510.00	1.00	1.00	1.00	1.00	4014.00	5169.00	1.00	1.00	17844.00	18951.00	1.00	1.00	65174.00	70321.00	45194.00	50467.00	1.00	1.00	1.00	1.00
C25 H46 N3 O4 Esi-13.543006	1056.00	277.00	10118.00	5745.00	22740.00	9885.00	16785.00	116807.00	11868.00	19468.00	3689.00	1.00	14874.00	3687.00	1.00	865.00	5991.00	3381.00	19707.00	5741.00	40034.00	6081.00	1.00	1.00	8686.00	4524.00	41480.00	10498.00	104990.00	127003.00	9097.00	37509.00	31149.00	3765.00	3702.00	16176.00	1.00	3458.00	20511.00	7898.00	10971.00	1.00	13618.00	3637.00	1.00	1.00	1.00	1.00	3352.00	1.00	9719.00	5465.00	55928.00	5959.00
C31 H49 N2 O13	1.00	1.00	44584.00	40722.00	34034.00	29325.00	40676.00	51230.00	33051.00	34298.00	1.00	1.00	31914.00	31098.00	1.00	1.00	1.00	1.00	40485.00	38647.00	51444.00	37970.00	1.00	1.00	1.00	1.00	52542.00	41104.00	68721.00	69119.00	24445.00	30115.00	47862.00	39174.00	23697.00	25645.00	1.00	1.00	38873.00	34684.00	38012.00	35046.00	33725.00	28583.00	1.00	1.00	27070.00	28599.00	32692.00	31983.00	1.00	1.00	43480.00	30425.00
Carpacin	13305.00	12052.00	34426.00	33943.00	12883.00	13316.00	16173.00	16167.00	12363.00	13754.00	24445.00	24336.00	114597.00	112716.00	96013.00	87722.00	44499.00	47012.00	9919.00	10457.00	19549.00	20226.00	31584.00	32962.00	1.00	1.00	121371.00	112290.00	22782.00	20514.00	44225.00	43776.00	1.00	9383.00	10423.00	13072.00	1.00	1.00	47052.00	48109.00	49831.00	45932.00	64875.00	58176.00	9431.00	1.00	8884.00	10159.00	16870.00	16641.00	24324.00	23500.00	24757.00	23189.00
Lys Pro His Esi-11.439004 :1	226848.00	231758.00	71877.00	66815.00	39475.00	35395.00	53933.00	77799.00	127016.00	133463.00	165005.00	151425.00	72971.00	72247.00	256235.00	247865.00	233869.00	226421.00	139185.00	118659.00	226461.00	156680.00	235076.00	237910.00	331124.00	328734.00	244012.00	185100.00	371141.00	386643.00	219772.00	253246.00	59072.00	51314.00	79889.00	76958.00	225507.00	206660.00	453739.00	397186.00	364617.00	317764.00	447285.00	396798.00	121454.00	124302.00	67195.00	66333.00	98971.00	89117.00	172844.00	160703.00	376769.00	254948.00
C23 H46 O6	3978.00	4016.00	14941.00	9811.00	25636.00	17620.00	18048.00	105582.00	13558.00	25291.00	4758.00	6756.00	18840.00	9912.00	1.00	1.00	7720.00	7757.00	26134.00	11558.00	30215.00	10509.00	7475.00	8572.00	10829.00	10311.00	28942.00	16540.00	64626.00	79713.00	9584.00	26884.00	24127.00	11101.00	9916.00	20611.00	3801.00	6904.00	20811.00	15915.00	12389.00	7291.00	19884.00	6762.00	3450.00	3004.00	3746.00	5116.00	10886.00	8277.00	16367.00	11684.00	39592.00	14339.00
C16 H2 N O15 S2	117611.00	120020.00	67089.00	69796.00	78929.00	75372.00	82240.00	81817.00	82898.00	80093.00	106204.00	102638.00	85786.00	86342.00	111255.00	109587.00	113123.00	113631.00	78184.00	77529.00	84853.00	83117.00	112260.00	111993.00	106179.00	108898.00	76820.00	73836.00	71706.00	70444.00	75554.00	77053.00	81271.00	82584.00	90019.00	90070.00	101462.00	104801.00	78299.00	78233.00	84755.00	83043.00	75693.00	72652.00	106869.00	106927.00	79847.00	80596.00	89724.00	85322.00	100802.00	105523.00	74005.00	73639.00
His Asp	82093.00	79346.00	111313.00	106485.00	148933.00	141868.00	135239.00	129093.00	111061.00	58128.00	110335.00	108245.00	75197.00	45979.00	44925.00	66627.00	100633.00	98134.00	93534.00	99203.00	68423.00	125206.00	79826.00	76915.00	94478.00	95816.00	126311.00	129707.00	46792.00	68851.00	47473.00	77451.00	103170.00	103195.00	99378.00	97850.00	70241.00	66235.00	81543.00	83587.00	79768.00	45446.00	43360.00	42374.00	80100.00	72760.00	72245.00	141471.00	133438.00	67631.00	105719.00	96791.00	103975.00	104824.00
N-Hydroxy-L-phenylalanine Esi-1.625	59435.00	57598.00	78664.00	80571.00	74432.00	77644.00	85287.00	84404.00	81662.00	78569.00	102911.00	101579.00	70271.00	72950.00	69542.00	72764.00	102958.00	99490.00	65977.00	69545.00	92161.00	97006.00	81411.00	88539.00	81800.00	86170.00	117542.00	108749.00	112802.00	113320.00	92512.00	92371.00	79251.00	69914.00	92672.00	96383.00	81928.00	81447.00	92161.00	96019.00	101109.00	110893.00	93523.00	99428.00	85342.00	92623.00	105182.00	105455.00	80928.00	81850.00	95875.00	101504.00	83724.00	81836.00
L-Alanine, N-propyl-	60104.00	59250.00	64055.00	65118.00	78898.00	76702.00	73856.00	71086.00	102198.00	103081.00	115738.00	112420.00	58697.00	60093.00	71433.00	71618.00	95880.00	94714.00	85778.00	86119.00	78591.00	77100.00	84565.00	82319.00	84333.00	79416.00	100500.00	101046.00	72929.00	77757.00	74782.00	76457.00	77009.00	73999.00	82992.00	88256.00	86611.00	84779.00	109845.00	112510.00	67214.00	77447.00	79519.00	80666.00	85580.00	88090.00	106342.00	109370.00	102974.00	105217.00	118959.00	121627.00	106576.00	110244.00
homosalate	35004.00	35917.00	39468.00	37854.00	18398.00	22195.00	20604.00	20441.00	33880.00	31420.00	30254.00	32281.00	35356.00	38337.00	48325.00	49610.00	98956.00	102989.00	17660.00	12730.00	60325.00	56370.00	39215.00	42393.00	106997.00	109970.00	44995.00	42192.00	31765.00	33973.00	51195.00	51099.00	26064.00	28351.00	29392.00	30501.00	34174.00	33816.00	37943.00	37907.00	51774.00	48640.00	54845.00	47573.00	22789.00	22787.00	34079.00	35863.00	21622.00	21754.00	64312.00	61766.00	31725.00	30760.00
C4 H2 N2 O8	99351.00	98029.00	1.00	12123.00	16346.00	14263.00	56107.00	51583.00	57321.00	56113.00	109829.00	111448.00	42123.00	41703.00	107493.00	108708.00	109517.00	111887.00	28039.00	30349.00	28940.00	30068.00	105813.00	108161.00	117195.00	116413.00	26057.00	24144.00	37330.00	38696.00	59301.00	59341.00	22156.00	23749.00	56996.00	58661.00	107089.00	114795.00	42502.00	40435.00	50120.00	46735.00	45367.00	42822.00	122274.00	119389.00	51634.00	50846.00	55292.00	60731.00	120629.00	117310.00	42878.00	39517.00
C9 H4 Cl2 N O11 S2	117932.00	119639.00	78943.00	79969.00	86803.00	82979.00	91364.00	88923.00	90740.00	88439.00	110176.00	110705.00	94238.00	97908.00	110362.00	114700.00	112382.00	120890.00	89131.00	92749.00	94819.00	94921.00	119844.00	119810.00	119338.00	114475.00	91929.00	89885.00	89257.00	87449.00	90651.00	93498.00	93106.00	95319.00	97929.00	103272.00	113968.00	111515.00	86359.00	93638.00	95719.00	95365.00	89574.00	92590.00	116945.00	113138.00	96054.00	93889.00	98767.00	98864.00	111471.00	117291.00	92933.00	90904.00
Dichloroacetyl chloride	128063.00	125955.00	99163.00	98712.00	91963.00	90311.00	111213.00	109674.00	101382.00	96642.00	114181.00	111285.00	89377.00	89109.00	125655.00	121988.00	94851.00	92432.00	85668.00	89214.00	66801.00	63430.00	115563.00	113369.00	88066.00	90337.00	95714.00	96727.00	90626.00	89735.00	101156.00	105263.00	74167.00	74237.00	95726.00	88852.00	107744.00	110611.00	105101.00	99997.00	106617.00	100476.00	114787.00	108373.00	115848.00	121036.00	89518.00	87649.00	99393.00	98810.00	118441.00	117965.00	99906.00	111010.00
DG(18:3(9Z,12Z,15Z)/14:0/0:0)	1.00	1.00	35820.00	26669.00	179658.00	98341.00	99267.00	302181.00	39385.00	73906.00	1.00	1.00	53263.00	1.00	1.00	1.00	1.00	1.00	114089.00	43260.00	107362.00	1.00	1.00	1.00	1.00	1.00	128247.00	49427.00	219828.00	222360.00	40983.00	170058.00	152897.00	1.00	30401.00	145689.00	1.00	1.00	83912.00	34293.00	34430.00	1.00	38357.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	43001.00	1.00	151571.00	36743.00
Montanol	21266.00	17255.00	37371.00	26573.00	43765.00	36835.00	42841.00	109417.00	37024.00	39509.00	25982.00	23348.00	37964.00	27656.00	21420.00	22311.00	26917.00	23733.00	53688.00	40262.00	62928.00	34214.00	22843.00	23500.00	24358.00	26531.00	56870.00	37791.00	102871.00	117379.00	36896.00	59424.00	47342.00	32177.00	26057.00	43391.00	21968.00	23214.00	48848.00	39392.00	36668.00	26692.00	38750.00	29772.00	23414.00	19048.00	20550.00	21510.00	24607.00	21125.00	35397.00	25882.00	69003.00	35559.00
1,2,3,4,7,8,9-Heptachlorodibenzofuran	82131.00	82334.00	78794.00	78820.00	82425.00	84424.00	83637.00	82825.00	79634.00	79576.00	91663.00	84267.00	83413.00	83748.00	86416.00	89312.00	90055.00	83774.00	81998.00	88277.00	85300.00	86923.00	90136.00	98254.00	93162.00	91836.00	90453.00	85343.00	86598.00	78287.00	89622.00	90934.00	85151.00	89248.00	86919.00	89291.00	90293.00	95275.00	85818.00	86034.00	88696.00	85465.00	90089.00	89307.00	93913.00	93698.00	89207.00	87579.00	95707.00	83457.00	97875.00	92081.00	79628.00	84219.00
C29 H63 N2 O13 S	1.00	1.00	26902.00	13041.00	14947.00	48491.00	33590.00	139567.00	48638.00	41803.00	1.00	1.00	35234.00	1.00	1.00	1.00	39082.00	26133.00	101715.00	18889.00	181562.00	16508.00	1.00	1.00	29688.00	24372.00	98934.00	46578.00	201943.00	201853.00	20498.00	73116.00	124502.00	1.00	1.00	63827.00	1.00	1.00	104861.00	45266.00	34163.00	11052.00	51440.00	16513.00	1.00	1.00	1.00	1.00	1.00	1.00	55971.00	16016.00	105743.00	19414.00
C15 H8 N2 O14 S2	23271.00	22125.00	1.00	1.00	28497.00	29182.00	64837.00	62709.00	57916.00	53052.00	24956.00	22510.00	15181.00	14910.00	51339.00	45749.00	37540.00	36941.00	97956.00	105196.00	59611.00	58725.00	72796.00	76677.00	29241.00	29061.00	45631.00	45223.00	48227.00	50248.00	30024.00	30777.00	94038.00	94131.00	18697.00	17818.00	68760.00	63923.00	47991.00	45326.00	32720.00	31121.00	24898.00	28095.00	29363.00	29466.00	92821.00	95842.00	41309.00	40914.00	66426.00	65400.00	38590.00	41828.00
Hippuric acid	45609.00	44349.00	43653.00	43377.00	85748.00	81232.00	75270.00	72054.00	65757.00	64587.00	53034.00	50344.00	66553.00	70381.00	90844.00	88700.00	60549.00	64020.00	88886.00	95546.00	66677.00	67511.00	77073.00	73867.00	54212.00	58518.00	95657.00	95225.00	84494.00	83545.00	58763.00	55029.00	101725.00	102785.00	52008.00	52927.00	71181.00	68197.00	50473.00	51365.00	96749.00	98086.00	80322.00	80214.00	85993.00	83199.00	112925.00	112012.00	78339.00	81081.00	94682.00	93986.00	72575.00	72643.00
C27 H45 O9	24069.00	23250.00	58553.00	52139.00	56007.00	54388.00	60339.00	94785.00	48222.00	49197.00	34380.00	34049.00	52283.00	50794.00	40089.00	42463.00	34398.00	32858.00	71759.00	63728.00	80912.00	54916.00	28799.00	30407.00	29330.00	29107.00	85802.00	61602.00	116147.00	121611.00	51391.00	62624.00	61910.00	53381.00	47946.00	56481.00	26623.00	30139.00	52770.00	49409.00	55158.00	50434.00	52740.00	42986.00	35257.00	32143.00	46443.00	44184.00	52977.00	54660.00	37228.00	29214.00	68587.00	44761.00
Tauroursodeoxycholic acid	46518.00	46831.00	24473.00	25531.00	43648.00	42395.00	30848.00	29461.00	1.00	1.00	29997.00	26480.00	1.00	9801.00	20199.00	21837.00	21584.00	23158.00	102506.00	101038.00	17672.00	16129.00	12756.00	12564.00	11650.00	11286.00	32594.00	33477.00	24662.00	23873.00	23123.00	24632.00	35057.00	34407.00	46960.00	47150.00	9910.00	1.00	114287.00	116167.00	11800.00	13508.00	1.00	1.00	27110.00	26003.00	1.00	1.00	20946.00	19861.00	17422.00	17458.00	20696.00	20563.00
C14 H Cl3 N5 O3 S5	139761.00	146683.00	79663.00	78948.00	84115.00	80983.00	92802.00	91611.00	91955.00	89520.00	130939.00	131399.00	96003.00	93009.00	132177.00	130607.00	128974.00	138870.00	82937.00	87609.00	92485.00	87577.00	144316.00	141590.00	137930.00	137543.00	85981.00	93362.00	92995.00	86301.00	98745.00	95033.00	88655.00	90659.00	106919.00	109907.00	131960.00	126998.00	90207.00	91270.00	96283.00	97262.00	91243.00	92058.00	135949.00	134357.00	94881.00	99257.00	95874.00	100003.00	133602.00	137857.00	90346.00	92426.00
?-9(10)-EpODE Esi-11.786005	33820.00	31784.00	19738.00	21950.00	20123.00	18190.00	20262.00	44584.00	28261.00	25565.00	23007.00	27772.00	26896.00	25309.00	39624.00	40852.00	38444.00	36030.00	48727.00	43297.00	66614.00	33399.00	28529.00	30088.00	49569.00	43500.00	68335.00	42808.00	112133.00	134722.00	55009.00	81983.00	21875.00	15730.00	23900.00	27259.00	33940.00	35761.00	80512.00	77515.00	59403.00	46896.00	79919.00	63978.00	25124.00	30801.00	15134.00	17003.00	26567.00	27895.00	38714.00	37756.00	112810.00	57384.00
C8 H7 N5 O2	64773.00	51167.00	66609.00	66435.00	83574.00	75548.00	85484.00	80566.00	101603.00	80647.00	77410.00	71527.00	69722.00	67589.00	39420.00	47925.00	62188.00	85443.00	69990.00	69683.00	106717.00	104644.00	56293.00	49254.00	77585.00	74287.00	100239.00	108879.00	73564.00	77769.00	77828.00	87940.00	77050.00	79661.00	96525.00	85073.00	81251.00	77800.00	87197.00	86671.00	78739.00	89021.00	76205.00	84244.00	53703.00	51524.00	103030.00	107301.00	114718.00	110672.00	94363.00	103593.00	102390.00	84486.00
His Glu Met	47344.00	44681.00	14434.00	13687.00	16170.00	20153.00	26488.00	26407.00	41254.00	43317.00	98746.00	91554.00	54171.00	57437.00	36183.00	33878.00	30302.00	31826.00	28484.00	31592.00	23380.00	20202.00	23337.00	24014.00	37700.00	38142.00	25416.00	23274.00	44945.00	43838.00	33467.00	35961.00	52866.00	53235.00	35467.00	34675.00	37338.00	39860.00	32615.00	29942.00	47058.00	43760.00	34059.00	32896.00	50795.00	43421.00	29131.00	32449.00	38374.00	37314.00	36448.00	36969.00	23982.00	23811.00
C39 H65 N5 O16	1.00	1.00	23412.00	1.00	62426.00	38435.00	44534.00	123223.00	43922.00	59395.00	1.00	1.00	56189.00	1.00	1.00	1.00	1.00	1.00	59863.00	25722.00	72952.00	1.00	1.00	1.00	22248.00	1.00	68187.00	23230.00	146241.00	150415.00	31720.00	106073.00	71180.00	1.00	1.00	61317.00	1.00	1.00	54475.00	27771.00	26079.00	1.00	32661.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	47084.00	1.00	121799.00	31613.00
MEDICA 16	1.00	1.00	15111.00	5283.00	21767.00	11736.00	14306.00	99089.00	8521.00	13824.00	1.00	1.00	20173.00	5451.00	1.00	1.00	3404.00	1.00	21935.00	7810.00	28885.00	3881.00	1.00	1.00	3403.00	1.00	27124.00	7754.00	75755.00	89122.00	8036.00	34696.00	18309.00	1.00	3447.00	19244.00	1.00	1.00	14707.00	7931.00	8137.00	1.00	9022.00	1.00	1.00	1.00	1.00	1.00	3127.00	1.00	7304.00	4928.00	39627.00	6945.00
C22 H44 O6 Esi-13.622991	161902.00	20566.00	178241.00	105467.00	235108.00	171042.00	206034.00	520837.00	76234.00	183009.00	32030.00	55539.00	143099.00	98575.00	96741.00	49477.00	92320.00	79130.00	181730.00	170159.00	336842.00	50440.00	67810.00	65500.00	88163.00	65846.00	328856.00	169001.00	485783.00	526921.00	121592.00	300836.00	247318.00	75069.00	80234.00	204570.00	19693.00	64649.00	231661.00	139868.00	144590.00	39413.00	185088.00	82209.00	100275.00	140648.00	46683.00	42129.00	41443.00	52881.00	143674.00	93171.00	395809.00	135719.00
C22 H43 N8 O6	117991.00	117174.00	117605.00	117478.00	121146.00	117894.00	113882.00	113620.00	114824.00	122654.00	120934.00	109435.00	118036.00	119260.00	115357.00	112155.00	129344.00	113869.00	123822.00	116636.00	117181.00	115816.00	116370.00	105854.00	115693.00	111989.00	116531.00	116730.00	117169.00	113860.00	111196.00	106023.00	114009.00	111028.00	114984.00	122162.00	117813.00	118328.00	114280.00	116169.00	125645.00	117707.00	120354.00	116832.00	117044.00	116791.00	112202.00	113711.00	113459.00	113594.00	113065.00	115907.00	112841.00	109305.00
(8)-Gingerol	1.00	1.00	1.00	1.00	1.00	1.00	1.00	62094.00	15344.00	26282.00	1.00	1.00	15665.00	1.00	1.00	1.00	1.00	1.00	23763.00	1.00	51921.00	1.00	1.00	1.00	12461.00	1.00	61793.00	16281.00	107267.00	117222.00	1.00	42099.00	1.00	1.00	1.00	1.00	1.00	1.00	41237.00	21517.00	31909.00	11621.00	46214.00	12337.00	1.00	1.00	1.00	1.00	1.00	1.00	14516.00	1.00	110288.00	21792.00
PAF C-16 Esi-12.328002	1.00	1.00	100016.00	43419.00	126414.00	73392.00	106587.00	493735.00	58486.00	81631.00	1.00	1.00	108018.00	39492.00	1.00	1.00	28352.00	20967.00	134414.00	67075.00	215797.00	38709.00	14829.00	15861.00	31018.00	24772.00	161991.00	58389.00	389733.00	419942.00	46196.00	138208.00	137238.00	36271.00	29630.00	96508.00	1.00	15286.00	121155.00	68943.00	55672.00	22923.00	75227.00	22606.00	1.00	1.00	16798.00	14758.00	30934.00	18497.00	51299.00	30635.00	223262.00	49955.00
Lawsone	130128.00	141419.00	88380.00	89513.00	96252.00	92978.00	111423.00	105183.00	113265.00	120366.00	133040.00	136566.00	101772.00	100836.00	117178.00	116605.00	136242.00	143114.00	105707.00	103023.00	123398.00	123094.00	128780.00	131860.00	153746.00	142459.00	115247.00	123041.00	105959.00	107047.00	102472.00	112847.00	107305.00	108150.00	115589.00	115095.00	140191.00	135539.00	122316.00	114029.00	111957.00	114394.00	113604.00	104987.00	134724.00	131568.00	123082.00	132236.00	125153.00	129592.00	142620.00	143415.00	127178.00	116666.00
C33 H56 N3 O8	1.00	1.00	8317.00	3588.00	19103.00	11498.00	22497.00	107568.00	9619.00	14430.00	1.00	1.00	13464.00	1.00	1.00	1.00	1.00	1.00	34419.00	13292.00	40079.00	5182.00	1.00	1.00	1.00	1.00	29059.00	7921.00	67726.00	65310.00	4712.00	22463.00	27669.00	5815.00	1.00	14129.00	1.00	1.00	17611.00	9113.00	10853.00	1.00	12934.00	1.00	1.00	1.00	1.00	1.00	3288.00	1.00	5372.00	1.00	39143.00	5516.00
C23 H47 N16 O3 S	1.00	1.00	37597.00	30753.00	62317.00	48005.00	37268.00	126046.00	21437.00	29562.00	1.00	1.00	49023.00	30698.00	1.00	1.00	24618.00	19382.00	48641.00	31118.00	60429.00	16618.00	1.00	1.00	19049.00	13142.00	63310.00	23561.00	106108.00	120055.00	37609.00	91512.00	51507.00	23526.00	25855.00	56317.00	1.00	11193.00	40667.00	27500.00	22287.00	11410.00	29726.00	14844.00	12580.00	12834.00	15049.00	13901.00	26561.00	22714.00	26457.00	20810.00	83300.00	27824.00
Aspirin	46952.00	45358.00	73573.00	70535.00	70418.00	69462.00	55007.00	58323.00	38969.00	41809.00	42442.00	48229.00	93867.00	100880.00	87702.00	86769.00	106319.00	116829.00	66011.00	70250.00	77192.00	70361.00	51879.00	49975.00	94977.00	97023.00	61999.00	57605.00	38038.00	35994.00	107364.00	101829.00	50496.00	51317.00	81062.00	78752.00	49441.00	50038.00	66043.00	75846.00	56803.00	56216.00	62978.00	62787.00	109142.00	97092.00	51182.00	49688.00	56252.00	57243.00	81132.00	84966.00	52103.00	57327.00
(R)-(+)-2-Pyrrolidone-5-carboxylic acid	68139.00	67926.00	69163.00	73190.00	74932.00	74362.00	74844.00	70731.00	62514.00	64010.00	71966.00	69108.00	88250.00	90343.00	84646.00	81617.00	75846.00	74789.00	87661.00	86849.00	68364.00	72017.00	87750.00	84183.00	74365.00	75843.00	82643.00	78000.00	77760.00	78756.00	96604.00	100879.00	88108.00	87537.00	79578.00	80489.00	78883.00	76226.00	78723.00	81574.00	76227.00	78720.00	75631.00	76953.00	78116.00	76117.00	80686.00	83912.00	111473.00	105692.00	95655.00	95076.00	99187.00	102522.00
C7 H6 N6 O4 S	71374.00	69672.00	67242.00	70285.00	76248.00	76693.00	80875.00	79981.00	75902.00	76061.00	75444.00	66412.00	56841.00	61067.00	62462.00	66134.00	51546.00	50445.00	76210.00	79574.00	78397.00	74441.00	70526.00	70112.00	79884.00	73887.00	91839.00	92289.00	75716.00	77443.00	87108.00	90479.00	88912.00	88061.00	72953.00	73138.00	84465.00	80772.00	75448.00	78405.00	84428.00	85347.00	50925.00	50016.00	101828.00	97840.00	92650.00	94167.00	93811.00	88581.00	32164.00	32211.00	85210.00	84938.00
L-Arginine	88545.00	86339.00	99823.00	93562.00	109278.00	108920.00	87560.00	94853.00	119773.00	112767.00	106605.00	106410.00	98917.00	97697.00	60067.00	58331.00	66128.00	67411.00	71892.00	72758.00	83677.00	82553.00	53833.00	60870.00	99107.00	106143.00	96825.00	103544.00	116698.00	112695.00	106298.00	103317.00	115119.00	114784.00	99915.00	89303.00	102522.00	95163.00	91949.00	94740.00	116137.00	109407.00	97937.00	95986.00	97895.00	99802.00	108768.00	105535.00	97476.00	98681.00	93515.00	91801.00	105082.00	108759.00
Creatine	82305.00	86305.00	78069.00	84931.00	112531.00	113027.00	92007.00	84003.00	74380.00	74931.00	75318.00	75270.00	85588.00	88178.00	39828.00	42061.00	68938.00	71775.00	69153.00	67722.00	106491.00	107959.00	47216.00	42314.00	73311.00	73825.00	75816.00	79550.00	94219.00	95068.00	69793.00	69356.00	79686.00	76845.00	84293.00	82738.00	66660.00	67943.00	82092.00	87788.00	61974.00	57309.00	55068.00	53841.00	55460.00	50681.00	80610.00	80991.00	86101.00	88320.00	66173.00	65546.00	82803.00	83794.00
C8	13941.00	66862.00	220617.00	68570.00	54192.00	231593.00	85342.00	148862.00	56280.00	81745.00	75253.00	50776.00	131256.00	113565.00	224212.00	118071.00	199746.00	57435.00	72412.00	71953.00	74223.00	125986.00	216793.00	49472.00	54267.00	111303.00	95977.00	104303.00	115376.00	81254.00	54296.00	80861.00	301339.00	31274.00	56494.00	69557.00	86480.00	81712.00	67795.00	82666.00	121671.00	72624.00	165799.00	61319.00	554850.00	65443.00	50712.00	247608.00	15196.00	100132.00	55512.00	37446.00	79036.00	85940.00
C9 H10 O6 S	32632.00	28891.00	20316.00	20173.00	97878.00	102384.00	26644.00	28692.00	55658.00	57566.00	40316.00	38975.00	31743.00	32306.00	35222.00	33888.00	26168.00	25531.00	62987.00	61032.00	53880.00	57706.00	36463.00	38016.00	32660.00	30318.00	54135.00	55329.00	98727.00	88698.00	27364.00	29302.00	60003.00	64262.00	40289.00	40132.00	31684.00	34611.00	31711.00	32123.00	46260.00	46589.00	30900.00	29069.00	44821.00	43439.00	62101.00	58483.00	60741.00	62900.00	21520.00	26078.00	52819.00	52349.00
4-Hydroxyethinylestradiol Esi-10.392005	259781.00	267032.00	256195.00	266525.00	276415.00	270338.00	279053.00	268349.00	275183.00	270291.00	266645.00	272183.00	257650.00	271452.00	264400.00	262377.00	268809.00	264489.00	283858.00	276165.00	271642.00	271314.00	272571.00	268433.00	257859.00	259604.00	274674.00	267477.00	273851.00	272389.00	260755.00	247814.00	259775.00	256428.00	262368.00	245517.00	255522.00	259621.00	260917.00	267049.00	270047.00	262496.00	248240.00	247430.00	260827.00	250144.00	249656.00	247303.00	248082.00	247394.00	247130.00	252115.00	248754.00	251047.00
C35 H53 N2 O17	1.00	1.00	83465.00	39604.00	99365.00	60125.00	85891.00	140446.00	49352.00	68278.00	1.00	13561.00	91246.00	34239.00	1.00	1.00	25841.00	19601.00	104288.00	63883.00	119177.00	27529.00	13270.00	18513.00	33272.00	26128.00	110963.00	56206.00	143615.00	135025.00	38065.00	93179.00	98046.00	28816.00	21323.00	73468.00	1.00	14876.00	72810.00	49197.00	51102.00	21456.00	67713.00	16831.00	1.00	1.00	1.00	14136.00	28502.00	17154.00	47525.00	26002.00	113277.00	37871.00
13(S)-HODE Esi-11.821002	48410.00	48869.00	34546.00	77433.00	17917.00	72608.00	16475.00	36408.00	21642.00	25867.00	33990.00	39510.00	49042.00	21529.00	41971.00	45481.00	54215.00	53038.00	26844.00	60516.00	58526.00	24493.00	37997.00	39885.00	57776.00	73617.00	49674.00	30407.00	89250.00	129402.00	63676.00	82816.00	83784.00	1.00	50184.00	63603.00	46125.00	58283.00	72740.00	57562.00	58314.00	39168.00	67726.00	68675.00	43292.00	55748.00	16344.00	20492.00	27550.00	24064.00	45497.00	55616.00	112565.00	55083.00
Phytuberin Esi-13.752009 :1	32319.00	32588.00	279088.00	162820.00	346600.00	301628.00	333356.00	211104.00	268807.00	312783.00	28483.00	74219.00	342014.00	176224.00	7953.00	14630.00	89256.00	36109.00	405609.00	247105.00	161108.00	97185.00	97342.00	120389.00	92229.00	107565.00	391530.00	244017.00	303421.00	245652.00	196514.00	363312.00	383631.00	109352.00	132651.00	314659.00	18141.00	83868.00	318256.00	214770.00	201798.00	101326.00	254284.00	73370.00	15088.00	11901.00	35267.00	56698.00	184456.00	173685.00	198354.00	141816.00	217532.00	184277.00
Norcocaine nitroxide	52261.00	54677.00	33410.00	32031.00	45847.00	49868.00	50545.00	54784.00	76472.00	77933.00	101857.00	93102.00	52064.00	45370.00	62793.00	62823.00	64794.00	65835.00	66597.00	62308.00	51041.00	47447.00	83765.00	84814.00	71227.00	65389.00	66997.00	63671.00	55810.00	61221.00	46635.00	51053.00	57234.00	57079.00	59591.00	65085.00	70030.00	76177.00	82620.00	71245.00	62065.00	59970.00	51295.00	51794.00	61436.00	65561.00	66212.00	62866.00	63062.00	65913.00	81023.00	82480.00	83213.00	78119.00
C28 H63 N15 O7 S	1.00	1.00	17925.00	1.00	50409.00	29913.00	27268.00	103455.00	22638.00	35205.00	1.00	1.00	35311.00	13073.00	1.00	1.00	1.00	1.00	41400.00	20026.00	43264.00	1.00	1.00	1.00	1.00	1.00	36779.00	1.00	123681.00	224848.00	17485.00	69228.00	48414.00	1.00	1.00	41188.00	1.00	1.00	31559.00	15150.00	1.00	1.00	21106.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	31106.00	1.00	85059.00	17972.00
C34 H57 O12	1.00	1.00	30498.00	1.00	35006.00	24515.00	29485.00	120026.00	25358.00	37805.00	1.00	1.00	38919.00	1.00	1.00	1.00	1.00	1.00	40783.00	20166.00	59268.00	1.00	1.00	1.00	1.00	1.00	61164.00	25503.00	126700.00	136536.00	25363.00	84059.00	49119.00	1.00	1.00	35076.00	1.00	1.00	46490.00	23732.00	26575.00	1.00	38027.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	24785.00	1.00	95474.00	22465.00
C37 H57 N10 O9	11671.00	11682.00	59377.00	44014.00	28675.00	22459.00	43560.00	84583.00	44198.00	51396.00	19529.00	19700.00	53433.00	37724.00	19283.00	17683.00	53644.00	49221.00	44666.00	30727.00	102780.00	41997.00	17342.00	15653.00	42723.00	39532.00	84025.00	49916.00	112168.00	127136.00	46994.00	73266.00	52754.00	26599.00	23474.00	32750.00	12875.00	13617.00	49452.00	44974.00	44341.00	33692.00	58434.00	30634.00	1.00	12392.00	21315.00	21298.00	19868.00	17916.00	24435.00	18188.00	81988.00	33749.00
C17 H25 N O6	83882.00	85067.00	40862.00	39503.00	36421.00	36188.00	89182.00	88461.00	39329.00	41133.00	25856.00	22865.00	33047.00	33857.00	28638.00	29407.00	32735.00	32077.00	43608.00	43305.00	42709.00	45774.00	36105.00	35554.00	40742.00	43558.00	57124.00	54190.00	49851.00	51242.00	46432.00	48030.00	47136.00	46491.00	62157.00	61914.00	33623.00	34419.00	55406.00	52664.00	63456.00	63205.00	50925.00	48739.00	49196.00	47720.00	61478.00	54718.00	55477.00	54380.00	65339.00	69657.00	82033.00	80115.00
C31 H55 N6 O3 S2	1.00	1.00	34991.00	18815.00	55282.00	32306.00	30819.00	130178.00	17402.00	27477.00	1.00	1.00	50182.00	14283.00	1.00	1.00	12258.00	1.00	41663.00	16751.00	55031.00	1.00	1.00	1.00	1.00	1.00	67393.00	22875.00	101338.00	125033.00	24886.00	86370.00	48182.00	11213.00	1.00	48294.00	1.00	1.00	34998.00	16799.00	15029.00	1.00	27867.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	26626.00	12611.00	82438.00	17424.00
cis,cis-2,4-Dihydroxy-5-methyl-6-oxo-2,4-hexadienoate Esi-1.9209993	116764.00	117062.00	58359.00	59309.00	122332.00	121369.00	89612.00	94121.00	141850.00	129730.00	108329.00	107056.00	50183.00	53029.00	113316.00	106059.00	247686.00	238692.00	91573.00	91895.00	124667.00	119807.00	95162.00	89714.00	131607.00	119905.00	135419.00	146170.00	123962.00	131994.00	198104.00	217687.00	72147.00	71958.00	78244.00	78297.00	153338.00	155167.00	168470.00	173678.00	118162.00	112321.00	186466.00	170113.00	112194.00	99770.00	147561.00	153492.00	123736.00	111750.00	215159.00	212757.00	214391.00	211615.00
Sulfuric acid Esi-0.9010007	61492.00	672510.00	90249.00	83190.00	84094.00	51406.00	106229.00	83884.00	692861.00	95709.00	69719.00	95262.00	63879.00	77869.00	47561.00	37426.00	40090.00	96316.00	48139.00	74896.00	55875.00	82903.00	17567.00	75492.00	68321.00	61975.00	62689.00	68427.00	91916.00	76936.00	10655.00	70353.00	63571.00	80299.00	66657.00	54759.00	45209.00	37745.00	51281.00	55411.00	93520.00	89577.00	105550.00	53431.00	929392.00	86047.00	91855.00	129720.00	67719.00	75575.00	43550.00	99209.00	23142.00	42627.00
5-Oxoavermectin ''2a'' aglycone	1.00	1.00	24021.00	1.00	32588.00	17575.00	22892.00	107505.00	14292.00	19219.00	1.00	1.00	29377.00	1.00	1.00	1.00	1.00	1.00	30916.00	12561.00	49927.00	1.00	1.00	1.00	1.00	1.00	40768.00	13027.00	77689.00	86427.00	15520.00	48469.00	34205.00	1.00	1.00	25468.00	1.00	1.00	24863.00	16136.00	16605.00	1.00	18646.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14348.00	1.00	64131.00	14456.00
C42 H57 N4 O4 S	16780.00	17211.00	52328.00	44406.00	64833.00	54822.00	44029.00	109809.00	34056.00	43464.00	18631.00	19006.00	56484.00	41972.00	26545.00	25486.00	55447.00	51041.00	52811.00	39386.00	79033.00	31758.00	22823.00	20232.00	47586.00	40685.00	72948.00	40636.00	106471.00	114168.00	59697.00	102518.00	63191.00	32037.00	37813.00	57733.00	19509.00	23716.00	69488.00	51892.00	42466.00	30061.00	56184.00	35079.00	25534.00	26653.00	25252.00	25793.00	44004.00	40634.00	48751.00	39516.00	119636.00	46387.00
Propanethial S-oxide	130968.00	136859.00	40374.00	44915.00	59336.00	70308.00	72984.00	73212.00	99575.00	85858.00	138831.00	137964.00	87071.00	91282.00	130727.00	142353.00	136985.00	145103.00	73520.00	92059.00	91996.00	80636.00	140328.00	127863.00	140862.00	130937.00	67416.00	62334.00	85615.00	93763.00	73680.00	91515.00	73875.00	80857.00	96231.00	88807.00	125216.00	122495.00	72825.00	77994.00	98262.00	96879.00	84053.00	96115.00	144481.00	137234.00	83096.00	100560.00	96676.00	100411.00	146360.00	145249.00	82630.00	91038.00
C19 H Cl3 O3 S5	102055.00	101538.00	79092.00	79342.00	84540.00	87640.00	90309.00	90767.00	86482.00	82418.00	101848.00	102542.00	85426.00	89984.00	101170.00	106618.00	101645.00	108030.00	85922.00	83762.00	90454.00	92772.00	107225.00	106765.00	104330.00	106290.00	87545.00	86701.00	81928.00	84494.00	88327.00	88732.00	89668.00	85405.00	92734.00	99712.00	97153.00	102477.00	87283.00	89779.00	92035.00	92764.00	89357.00	88379.00	102887.00	103812.00	89261.00	91566.00	90025.00	91987.00	102356.00	109087.00	83497.00	85455.00
C3 H4 O2 Esi-1.613999	63340.00	62765.00	75577.00	71484.00	68009.00	61735.00	81557.00	42349.00	71174.00	66559.00	63417.00	55427.00	64755.00	70474.00	68880.00	65943.00	58289.00	59222.00	63529.00	64324.00	85265.00	91208.00	72684.00	65754.00	100053.00	87159.00	93017.00	95980.00	65068.00	71181.00	70678.00	78858.00	61519.00	45505.00	68059.00	47923.00	60550.00	56074.00	75107.00	68828.00	77844.00	77545.00	91082.00	88664.00	83286.00	59676.00	93165.00	89014.00	63089.00	73534.00	76409.00	91653.00	85637.00	75413.00
C30 H53 N3 O8	1.00	1.00	19693.00	5495.00	29958.00	12081.00	26975.00	112223.00	9923.00	19154.00	1.00	1.00	24641.00	3947.00	1.00	1.00	1.00	1.00	33821.00	14334.00	46312.00	3439.00	1.00	1.00	5763.00	1.00	37572.00	9430.00	83163.00	84655.00	5938.00	33418.00	38605.00	5477.00	1.00	19517.00	1.00	1.00	18991.00	11827.00	11423.00	1.00	16297.00	1.00	1.00	1.00	1.00	1.00	4296.00	1.00	13814.00	5548.00	53415.00	7192.00
C35 H51 N23	1.00	1.00	14202.00	1.00	26719.00	1.00	26129.00	160104.00	23034.00	29284.00	1.00	1.00	34420.00	1.00	1.00	1.00	1.00	1.00	45167.00	15389.00	54895.00	1.00	1.00	1.00	12495.00	1.00	52293.00	13245.00	96416.00	129250.00	13910.00	48861.00	52510.00	1.00	1.00	20485.00	1.00	1.00	36557.00	14844.00	16477.00	1.00	19835.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	15747.00	1.00	59068.00	15665.00
5?-Cholestane-3?,6?,7?,25,26-pentol	924.00	1.00	6907.00	4531.00	17045.00	10308.00	13402.00	99415.00	8158.00	19239.00	939.00	2245.00	11566.00	2579.00	1.00	1.00	4580.00	1.00	14496.00	6180.00	34543.00	1.00	1214.00	1.00	6973.00	3229.00	34581.00	9602.00	97124.00	106784.00	9035.00	32087.00	28399.00	5157.00	3274.00	15502.00	1.00	1.00	17181.00	7351.00	10221.00	1.00	10658.00	1.00	1.00	285.00	659.00	1504.00	1.00	1.00	9738.00	6011.00	47068.00	5984.00
C33 H49 O11	24539.00	23135.00	64865.00	63918.00	39994.00	40821.00	59249.00	59764.00	56278.00	55960.00	49210.00	46242.00	47583.00	49891.00	55877.00	54295.00	69855.00	70486.00	51232.00	46382.00	88706.00	76783.00	50743.00	47365.00	63460.00	68067.00	88268.00	79504.00	108297.00	103131.00	78267.00	83120.00	58601.00	53768.00	54833.00	52917.00	43963.00	42162.00	66133.00	66851.00	78990.00	78270.00	79092.00	79027.00	27613.00	27008.00	59355.00	60185.00	45649.00	45757.00	38985.00	35479.00	74527.00	63837.00
?-hydroxyisobutyrate Esi-1.912	98044.00	100929.00	1.00	1.00	1.00	1.00	1.00	1.00	118844.00	137415.00	82676.00	1.00	1.00	1.00	1.00	103509.00	1.00	1.00	1.00	93070.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	160337.00	241634.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	162871.00	193955.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	178275.00	1.00	1.00
Diacetyl	111521.00	96288.00	163160.00	155817.00	186778.00	179568.00	174068.00	168555.00	153388.00	149505.00	120644.00	116194.00	128781.00	116971.00	87851.00	77353.00	121001.00	120687.00	145678.00	140476.00	170836.00	186156.00	96417.00	102959.00	133179.00	141434.00	179616.00	189272.00	156559.00	149992.00	140871.00	139123.00	145842.00	159349.00	152798.00	149660.00	117508.00	132437.00	157526.00	148702.00	149295.00	139638.00	149999.00	135094.00	103552.00	106195.00	175314.00	173702.00	153577.00	155565.00	125433.00	145716.00	168131.00	164827.00
cholesterol sulfate Esi-13.351994	14179.00	20251.00	280990.00	120087.00	402217.00	205393.00	407813.00	1267446.00	176514.00	303817.00	13997.00	45550.00	368139.00	86812.00	15135.00	14764.00	77427.00	57033.00	522740.00	231824.00	537284.00	95534.00	52917.00	56867.00	123354.00	79995.00	668161.00	260669.00	908940.00	875198.00	114981.00	421179.00	471363.00	101696.00	57641.00	285542.00	11988.00	49605.00	437734.00	231006.00	290560.00	92647.00	341650.00	83885.00	1.00	1.00	18858.00	26061.00	81738.00	32883.00	170353.00	89013.00	611129.00	144084.00
Pregna-4,16-diene-3,11,20-trione Esi-11.2000065	76946.00	98494.00	89261.00	88189.00	97475.00	90527.00	100486.00	99848.00	90458.00	90265.00	90894.00	101789.00	96850.00	83159.00	96216.00	86526.00	89214.00	55824.00	96792.00	101866.00	79781.00	87739.00	85076.00	86381.00	81812.00	81571.00	84186.00	74353.00	95023.00	98228.00	80446.00	79214.00	85962.00	77077.00	80499.00	83681.00	60749.00	76809.00	77925.00	93716.00	91040.00	86908.00	75007.00	86978.00	85394.00	63471.00	87504.00	85794.00	72141.00	59772.00	81365.00	81665.00	85549.00	84253.00
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol Esi-9.306003	82635.00	50593.00	43058.00	87367.00	70849.00	35192.00	70976.00	75625.00	100096.00	56186.00	45859.00	81709.00	48996.00	39982.00	159413.00	75720.00	72990.00	66883.00	100724.00	45725.00	64535.00	65828.00	80813.00	75303.00	110935.00	81473.00	83906.00	51941.00	102214.00	104645.00	83228.00	89119.00	98724.00	64381.00	64452.00	77604.00	60209.00	67464.00	85493.00	223187.00	182901.00	181144.00	172611.00	65614.00	70445.00	53404.00	71383.00	75112.00	151029.00	43239.00	69206.00	100220.00	188179.00	166598.00
C31 H56 N3 O21	1.00	1.00	23227.00	9847.00	51143.00	27568.00	54446.00	102927.00	21452.00	35052.00	1.00	1.00	31052.00	1.00	1.00	1.00	1.00	1.00	73128.00	35666.00	73860.00	14927.00	1.00	1.00	11511.00	1.00	58472.00	21252.00	75406.00	70147.00	13524.00	45768.00	56020.00	11616.00	1.00	35566.00	1.00	1.00	43670.00	22012.00	24954.00	1.00	27022.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	16111.00	1.00	63730.00	14243.00
Gemfibrozil, metabolite II	67516.00	64397.00	45081.00	45293.00	54615.00	48619.00	44244.00	58623.00	49922.00	51882.00	66748.00	64113.00	52085.00	42911.00	74120.00	76391.00	51732.00	52548.00	48359.00	47303.00	62690.00	44835.00	60737.00	63295.00	53898.00	53030.00	59054.00	51526.00	81903.00	89695.00	50281.00	50926.00	57631.00	51725.00	37653.00	40903.00	55527.00	50555.00	46679.00	40320.00	48725.00	42571.00	53486.00	41221.00	58144.00	52041.00	37198.00	35711.00	26064.00	25868.00	58234.00	52803.00	61405.00	45239.00
C32 H43 N22	1.00	1.00	31758.00	1.00	28723.00	17078.00	29640.00	106445.00	22624.00	35299.00	1.00	1.00	34947.00	1.00	1.00	1.00	15963.00	1.00	39536.00	17934.00	68755.00	1.00	1.00	1.00	14989.00	1.00	58512.00	30253.00	115173.00	132752.00	22856.00	81601.00	48262.00	1.00	1.00	35754.00	1.00	1.00	41629.00	21943.00	26423.00	1.00	35650.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	25070.00	1.00	77871.00	17188.00
C26 H57 N19 O10	1.00	1.00	36851.00	23296.00	49156.00	32981.00	39566.00	148402.00	21150.00	42858.00	1.00	1.00	46985.00	18857.00	1.00	1.00	1.00	1.00	54905.00	25906.00	70189.00	1.00	1.00	1.00	1.00	1.00	46664.00	26181.00	80527.00	121187.00	33419.00	86429.00	61978.00	16551.00	16220.00	48618.00	1.00	1.00	42013.00	23013.00	23890.00	1.00	41770.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	22804.00	1.00	91198.00	19974.00
2?-(3-Hydroxypropyl)-1?,25-dihydroxy-19-norvitamin D3 Esi-14.131997	1.00	1.00	17585.00	1.00	29191.00	16009.00	25961.00	107263.00	20548.00	34316.00	1.00	1.00	34882.00	1.00	1.00	1.00	10124.00	1.00	43698.00	19455.00	48068.00	1.00	1.00	1.00	15255.00	1.00	55899.00	19184.00	128177.00	147243.00	23293.00	83577.00	58047.00	10311.00	10641.00	40885.00	1.00	1.00	40108.00	20895.00	26384.00	1.00	31266.00	1.00	1.00	1.00	1.00	1.00	10538.00	1.00	43531.00	19620.00	86969.00	19287.00
(6S)-dehydrovomifoliol Esi-8.709998	41443.00	29811.00	28994.00	27033.00	1.00	9848.00	19020.00	1.00	21752.00	11725.00	30989.00	19029.00	37844.00	25992.00	34879.00	26379.00	79620.00	83622.00	1.00	1.00	26240.00	39423.00	22869.00	26821.00	95181.00	81232.00	23141.00	32056.00	17813.00	9492.00	53975.00	35249.00	20647.00	20331.00	31309.00	23689.00	42087.00	29599.00	29913.00	25123.00	25384.00	44145.00	24543.00	34483.00	32392.00	26583.00	47391.00	26830.00	16129.00	12470.00	58489.00	49526.00	24594.00	29588.00
C6 H9 N4 O3	63224.00	60545.00	56671.00	55000.00	70732.00	73564.00	74718.00	69147.00	94242.00	87273.00	95691.00	96178.00	65773.00	63674.00	70817.00	71028.00	69116.00	66732.00	82679.00	80874.00	67418.00	69792.00	85298.00	87133.00	79514.00	78411.00	92492.00	96086.00	73643.00	73747.00	69409.00	67573.00	76725.00	80079.00	82453.00	81641.00	83870.00	80704.00	97067.00	95351.00	73322.00	83105.00	74489.00	74262.00	71079.00	78987.00	95167.00	93803.00	91055.00	89166.00	98558.00	98705.00	101521.00	97085.00
C8 H3 N O5	73409.00	78342.00	56374.00	59729.00	46083.00	45583.00	44745.00	43372.00	62210.00	60310.00	46814.00	45754.00	46929.00	47417.00	64112.00	63819.00	50652.00	51771.00	73843.00	71270.00	82578.00	81192.00	97493.00	97524.00	64124.00	66199.00	67462.00	67212.00	68756.00	74402.00	80344.00	76171.00	75150.00	72295.00	50978.00	56723.00	85553.00	85398.00	72531.00	75330.00	53440.00	59631.00	56999.00	62868.00	65620.00	64113.00	105508.00	102624.00	64623.00	65833.00	70078.00	72939.00	66271.00	69855.00
C27 H45 N18	1.00	1.00	52033.00	40298.00	49046.00	50916.00	47115.00	165864.00	22914.00	83594.00	13264.00	16338.00	63184.00	25374.00	13170.00	13115.00	46003.00	41148.00	61180.00	50161.00	152431.00	20623.00	16583.00	14834.00	42277.00	29073.00	147460.00	42356.00	106796.00	99191.00	59653.00	72133.00	71685.00	16774.00	29200.00	27312.00	10210.00	16099.00	72854.00	43473.00	44473.00	20677.00	53248.00	18457.00	12384.00	15453.00	13431.00	14749.00	29883.00	22909.00	57387.00	38054.00	147661.00	44540.00
C38 H76 N O	52236.00	51126.00	106008.00	104374.00	106298.00	101863.00	105336.00	102058.00	77005.00	77789.00	75128.00	70879.00	94525.00	94899.00	71588.00	72378.00	67950.00	70115.00	95636.00	97008.00	95993.00	96973.00	64314.00	68701.00	73946.00	70789.00	99553.00	102875.00	102216.00	100113.00	102150.00	101751.00	100701.00	96814.00	96086.00	95974.00	73853.00	73102.00	103181.00	102583.00	98932.00	96785.00	101156.00	100986.00	74657.00	72966.00	92507.00	95423.00	90062.00	91216.00	75040.00	74658.00	105187.00	103374.00
C29 H57 N6 O10 S	1.00	1.00	56787.00	40971.00	63285.00	46401.00	51554.00	195593.00	35484.00	55102.00	1.00	1.00	78194.00	41779.00	1.00	1.00	32330.00	27244.00	59398.00	32289.00	114588.00	27271.00	1.00	1.00	24645.00	20420.00	130451.00	50487.00	210977.00	209366.00	35458.00	102861.00	69490.00	25515.00	21869.00	45569.00	1.00	1.00	61167.00	32747.00	40943.00	18175.00	61034.00	19648.00	1.00	1.00	16886.00	19073.00	25362.00	20428.00	34934.00	1.00	87651.00	31622.00
C39 H69 N6 O8 S2	1.00	1.00	24230.00	13164.00	15990.00	1.00	22681.00	135344.00	17391.00	31075.00	1.00	1.00	33916.00	1.00	1.00	1.00	18367.00	12951.00	46910.00	13237.00	108983.00	14264.00	1.00	1.00	15895.00	12418.00	93193.00	25806.00	148830.00	162336.00	15159.00	66002.00	49117.00	1.00	1.00	23658.00	1.00	1.00	48101.00	21093.00	25377.00	1.00	45273.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	15234.00	1.00	95469.00	14435.00
C50 H86 N4 S2 Esi-13.974	1.00	1.00	25793.00	35521.00	287999.00	64135.00	101093.00	366712.00	94796.00	169918.00	1.00	1.00	68399.00	36340.00	1.00	1.00	14521.00	1.00	97367.00	68669.00	146013.00	79832.00	1.00	1.00	54489.00	1.00	251736.00	96876.00	186512.00	202505.00	139410.00	102656.00	224449.00	1.00	1.00	49954.00	1.00	1.00	88931.00	94266.00	36405.00	1.00	67997.00	1.00	1.00	46823.00	1.00	63671.00	17593.00	1.00	77707.00	13198.00	451530.00	83880.00
(23S)-23,25-dihydroxyvitamin D3 / (23S)-23,25-dihydroxycholecalciferol	10000.00	4279.00	14151.00	15472.00	24092.00	13358.00	16096.00	43744.00	10893.00	20325.00	10403.00	10647.00	28425.00	14128.00	8490.00	7490.00	15484.00	11351.00	29739.00	15029.00	25919.00	14232.00	8079.00	7019.00	7647.00	6463.00	17865.00	10260.00	33506.00	39104.00	11532.00	30922.00	21421.00	9932.00	6827.00	21671.00	8483.00	12147.00	23050.00	11560.00	14011.00	8878.00	15513.00	8056.00	5379.00	7308.00	10969.00	7545.00	10219.00	11168.00	16312.00	8565.00	21810.00	11040.00
C27 H43 N11 O14	12736.00	14168.00	86875.00	68192.00	96879.00	81875.00	92671.00	104180.00	68257.00	83461.00	20581.00	27172.00	89796.00	68228.00	21271.00	19082.00	39764.00	33717.00	96265.00	75236.00	103362.00	51487.00	23901.00	24515.00	36663.00	30227.00	101586.00	69692.00	104768.00	111076.00	60971.00	89461.00	96268.00	62260.00	48418.00	80621.00	18269.00	26706.00	76767.00	59382.00	65512.00	43644.00	68634.00	39358.00	17364.00	17833.00	40181.00	40419.00	54000.00	50021.00	52053.00	35711.00	102692.00	62552.00
C26 H36 N10 Esi-5.4909983	90925.00	71404.00	107421.00	81786.00	82127.00	132832.00	189897.00	85793.00	116868.00	60036.00	77047.00	67173.00	61007.00	80530.00	107874.00	72110.00	67370.00	71777.00	70369.00	74937.00	65139.00	77008.00	78036.00	84376.00	155642.00	82359.00	79882.00	108555.00	82211.00	84557.00	14359.00	50027.00	74307.00	99763.00	110446.00	68754.00	74526.00	78617.00	78781.00	138337.00	84945.00	73590.00	76727.00	83997.00	76220.00	76032.00	76486.00	56828.00	97563.00	51268.00	96977.00	77150.00	69143.00	70236.00
Oxaloglutarate	709345.00	717793.00	172361.00	168503.00	168702.00	178124.00	249672.00	251431.00	388236.00	382198.00	632838.00	635144.00	388181.00	399052.00	688405.00	678313.00	608150.00	613159.00	290005.00	290219.00	271097.00	261225.00	745640.00	731423.00	617748.00	630159.00	242574.00	249524.00	281158.00	272777.00	309123.00	318946.00	225965.00	232619.00	345491.00	335010.00	599499.00	593425.00	302148.00	316340.00	369140.00	349735.00	325263.00	310696.00	625296.00	647027.00	321150.00	321756.00	358890.00	360887.00	604288.00	584475.00	272797.00	273016.00
C3 H2 N2 S2	94447.00	96049.00	72361.00	72713.00	79775.00	74972.00	84490.00	83520.00	87473.00	83239.00	81948.00	83627.00	79285.00	77361.00	83532.00	82185.00	76753.00	79781.00	84044.00	88005.00	80777.00	79062.00	86379.00	85501.00	79594.00	83916.00	73107.00	74156.00	68267.00	70730.00	85344.00	83448.00	71891.00	79294.00	78111.00	77732.00	85279.00	86774.00	74400.00	83442.00	78390.00	73096.00	76273.00	79010.00	82337.00	81885.00	87649.00	84907.00	83093.00	87504.00	89704.00	84155.00	83025.00	80888.00
Thifluzamide	93699.00	96535.00	62419.00	64550.00	69952.00	66623.00	72793.00	71542.00	69644.00	69617.00	88557.00	91688.00	78448.00	73340.00	91669.00	89151.00	92649.00	93581.00	64368.00	72263.00	71351.00	72954.00	92218.00	94690.00	88438.00	91938.00	68308.00	69472.00	63474.00	65116.00	66336.00	68684.00	69837.00	69312.00	76396.00	75992.00	86591.00	89651.00	66809.00	70879.00	73680.00	75997.00	67039.00	68499.00	86280.00	86953.00	69658.00	68670.00	73462.00	73163.00	86154.00	84726.00	64203.00	65122.00
2-Hydroxy-6-oxo-(2'-aminophenyl)-hexa-2,4-dienoate	62407.00	60486.00	67277.00	67558.00	76542.00	71370.00	69452.00	65457.00	80250.00	76857.00	92974.00	94456.00	69956.00	71082.00	83642.00	82942.00	72346.00	72118.00	73045.00	74204.00	62366.00	61727.00	82779.00	79629.00	62704.00	62107.00	74586.00	70235.00	68346.00	66318.00	66866.00	62646.00	73242.00	72291.00	69111.00	71143.00	71097.00	78812.00	75372.00	77461.00	81279.00	75819.00	72336.00	70693.00	69158.00	67681.00	79067.00	75290.00	78914.00	77683.00	79790.00	82351.00	77160.00	77946.00
PS(19:0/0:0)	28298.00	28444.00	69767.00	60012.00	121836.00	64065.00	57205.00	90120.00	110946.00	68771.00	46463.00	46353.00	66690.00	60736.00	47732.00	44070.00	70938.00	43386.00	65486.00	55692.00	84739.00	54109.00	33666.00	31526.00	33762.00	32577.00	91309.00	72707.00	105254.00	105001.00	57488.00	115755.00	55507.00	46442.00	47020.00	52121.00	30097.00	34475.00	69665.00	59461.00	66100.00	52792.00	59591.00	52517.00	41763.00	43297.00	46331.00	44475.00	74905.00	77080.00	44669.00	38899.00	80503.00	58434.00
Prostaglandin E2-PEG11-biotin	1.00	1.00	17646.00	10566.00	25622.00	14996.00	23021.00	90650.00	10583.00	16595.00	1.00	1.00	20090.00	1.00	1.00	1.00	1.00	1.00	27118.00	12096.00	38058.00	1.00	1.00	1.00	1.00	1.00	38056.00	11758.00	80320.00	84878.00	1.00	27448.00	26308.00	1.00	1.00	15812.00	1.00	1.00	18303.00	1.00	10073.00	1.00	12763.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	48887.00	9325.00
C21 H29 N5 O	1.00	1.00	10895.00	1.00	11471.00	1.00	11235.00	34284.00	12139.00	20482.00	1.00	1.00	14183.00	1.00	1.00	1.00	11588.00	1.00	35598.00	17569.00	54811.00	10915.00	1.00	1.00	15217.00	1.00	57123.00	22383.00	74028.00	75343.00	15903.00	44864.00	17216.00	1.00	1.00	15331.00	1.00	1.00	58751.00	36256.00	35028.00	15376.00	51295.00	15435.00	1.00	1.00	1.00	1.00	1.00	1.00	16748.00	9736.00	86563.00	24695.00
Hamamelose	90525.00	88131.00	63484.00	60813.00	67701.00	69011.00	69459.00	74590.00	64438.00	64679.00	75650.00	76081.00	65186.00	61290.00	64036.00	58983.00	81225.00	79088.00	103821.00	108997.00	82299.00	78162.00	74199.00	75077.00	98400.00	94729.00	72455.00	76241.00	87771.00	84904.00	77773.00	71002.00	60943.00	59126.00	81282.00	79324.00	59623.00	63885.00	78689.00	78729.00	78509.00	75952.00	84280.00	88305.00	62404.00	64045.00	92209.00	92215.00	85018.00	86552.00	100474.00	95547.00	94293.00	96924.00
1,2-Bis(4-nitrophenyl)ethane	60614.00	61064.00	62916.00	63532.00	65913.00	64872.00	76495.00	72030.00	65282.00	60243.00	88483.00	88895.00	55011.00	55984.00	90412.00	88168.00	65194.00	62912.00	79787.00	79394.00	61366.00	57379.00	74900.00	71716.00	59854.00	59127.00	75384.00	77531.00	66950.00	64295.00	69615.00	65581.00	72313.00	74209.00	74838.00	77523.00	79675.00	74395.00	68900.00	66599.00	65799.00	67917.00	57364.00	56765.00	64248.00	61725.00	69289.00	68767.00	79912.00	80257.00	75369.00	72363.00	79590.00	79556.00
MID42322:(17Z)-1?,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydrovitamin D3 / (17Z)-1?,25-	1.00	1.00	25622.00	10361.00	40448.00	23591.00	38177.00	82132.00	19885.00	27855.00	1.00	1.00	33915.00	10834.00	1.00	1.00	1.00	1.00	37285.00	19414.00	48690.00	11281.00	1.00	1.00	1.00	1.00	54112.00	25457.00	61456.00	62651.00	13795.00	46304.00	41023.00	10191.00	1.00	29556.00	1.00	1.00	36955.00	19366.00	20223.00	1.00	31542.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	15474.00	1.00	51891.00	16841.00
12R,13S-epoxy-9S-hydroxy-10E-octadecenoic acid	73131.00	72171.00	29816.00	29798.00	15717.00	20193.00	20754.00	16158.00	34875.00	33207.00	47571.00	45325.00	36449.00	35649.00	89850.00	87002.00	65149.00	64591.00	57452.00	55024.00	54964.00	56126.00	62502.00	60164.00	84572.00	81728.00	59425.00	56630.00	72036.00	76008.00	101508.00	101082.00	24430.00	22181.00	38844.00	44368.00	69939.00	79931.00	119097.00	125259.00	86433.00	85708.00	110574.00	97040.00	59288.00	65644.00	25478.00	27410.00	52062.00	55667.00	77924.00	83702.00	102593.00	106212.00
C35 H53 N3 O12	1.00	1.00	23858.00	14400.00	29127.00	18285.00	23936.00	77117.00	19348.00	28201.00	1.00	1.00	31378.00	1.00	1.00	1.00	1.00	1.00	31216.00	1.00	50262.00	1.00	1.00	1.00	1.00	1.00	48957.00	20798.00	87551.00	98621.00	17988.00	59444.00	35869.00	1.00	1.00	25916.00	1.00	1.00	36230.00	17524.00	20210.00	1.00	27185.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	18661.00	1.00	65412.00	18142.00
Flaviolin Esi-5.798002	54152.00	53050.00	63846.00	67960.00	82900.00	80124.00	77589.00	79262.00	60548.00	55943.00	71800.00	71274.00	54660.00	56242.00	59639.00	59810.00	39791.00	41213.00	92167.00	95422.00	73756.00	71463.00	61146.00	61930.00	58427.00	63071.00	94213.00	93717.00	68479.00	66330.00	64568.00	62903.00	74897.00	79296.00	68376.00	66559.00	46001.00	48875.00	56946.00	57100.00	70474.00	76350.00	70207.00	70547.00	68701.00	70741.00	79703.00	79117.00	77938.00	80455.00	55378.00	58828.00	66694.00	64282.00
C6 H10 N6 O4	1.00	1.00	1.00	1.00	15132.00	16044.00	1.00	1.00	19596.00	23758.00	1.00	1.00	1.00	1.00	1.00	1.00	68283.00	99181.00	1.00	1.00	41494.00	42694.00	13793.00	17595.00	39793.00	38031.00	53497.00	50212.00	32856.00	32211.00	64834.00	93718.00	1.00	1.00	1.00	1.00	43642.00	34519.00	48973.00	67566.00	26557.00	31135.00	96846.00	96723.00	15959.00	20203.00	58985.00	58707.00	21007.00	19329.00	114460.00	151175.00	119682.00	122189.00
2(R)-HPOT	53193.00	65650.00	23456.00	26055.00	1.00	1.00	14239.00	18845.00	38738.00	39079.00	52024.00	55880.00	21017.00	17071.00	74369.00	78344.00	63442.00	54261.00	38427.00	34996.00	58416.00	59528.00	74164.00	72564.00	87817.00	83040.00	41003.00	45435.00	70007.00	72011.00	68430.00	56564.00	15425.00	24117.00	24004.00	24509.00	53606.00	77325.00	89474.00	87283.00	103271.00	89600.00	115891.00	99935.00	58613.00	38492.00	23238.00	19604.00	30283.00	29027.00	59736.00	62864.00	73568.00	59731.00
2,5-Diaminohexanoate	51408.00	55039.00	61783.00	71229.00	68890.00	67646.00	49781.00	49238.00	64388.00	67652.00	55396.00	60743.00	68918.00	69763.00	33234.00	33043.00	59125.00	60231.00	50169.00	47090.00	60796.00	61934.00	34991.00	38575.00	59961.00	58384.00	65262.00	55047.00	97666.00	105576.00	64834.00	60383.00	75109.00	88169.00	60686.00	62489.00	71036.00	74305.00	62765.00	69480.00	94916.00	86681.00	63803.00	64198.00	90271.00	74253.00	61532.00	62359.00	73006.00	75876.00	58913.00	53675.00	75906.00	70494.00
C50 H86 N4 S2 Esi-13.754009	54608.00	44563.00	181228.00	79379.00	32139.00	95923.00	49866.00	1.00	129921.00	148874.00	75458.00	100292.00	218183.00	83782.00	71970.00	58172.00	62160.00	62914.00	216629.00	164499.00	195625.00	117175.00	112855.00	71811.00	77115.00	70108.00	166621.00	173208.00	1.00	1.00	94018.00	25393.00	322933.00	107657.00	77120.00	178360.00	116113.00	50502.00	105561.00	119672.00	113827.00	64780.00	85388.00	72113.00	52468.00	25524.00	65953.00	49536.00	90719.00	80368.00	54535.00	79711.00	108036.00	96335.00
C34 H53 N10 O4	1.00	1.00	13766.00	11350.00	37627.00	26066.00	31056.00	106236.00	10861.00	30193.00	1.00	1.00	35562.00	1.00	1.00	1.00	1.00	1.00	35627.00	19539.00	36959.00	1.00	1.00	1.00	1.00	1.00	34657.00	1.00	83358.00	87904.00	18649.00	60559.00	41043.00	1.00	1.00	28604.00	1.00	1.00	30043.00	14921.00	13422.00	1.00	15904.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	75652.00	9370.00
C5 H2 N3 S	97999.00	99884.00	1.00	15513.00	16691.00	15950.00	33089.00	36448.00	40205.00	42103.00	85999.00	86240.00	28089.00	31117.00	87648.00	86673.00	77559.00	75701.00	23351.00	25721.00	20379.00	23214.00	92330.00	93997.00	85681.00	85320.00	20221.00	21426.00	30969.00	29444.00	39228.00	43497.00	19503.00	20821.00	37213.00	37086.00	89866.00	86656.00	30286.00	28276.00	32922.00	32329.00	27487.00	26627.00	87241.00	89891.00	35145.00	35120.00	35756.00	35920.00	93251.00	88633.00	30432.00	28576.00
C28 H43 N10 O6	57029.00	62853.00	25227.00	30691.00	43372.00	45279.00	35949.00	36673.00	26891.00	26268.00	62022.00	49470.00	34267.00	42121.00	101054.00	106902.00	47044.00	47488.00	45189.00	49757.00	47336.00	47509.00	63411.00	65857.00	67991.00	71707.00	32165.00	35318.00	37225.00	39182.00	73832.00	76715.00	39456.00	43297.00	50859.00	51627.00	82546.00	82837.00	41885.00	42333.00	40138.00	39965.00	40112.00	38293.00	98602.00	99589.00	35791.00	34367.00	53811.00	58409.00	105161.00	104375.00	55214.00	54647.00
?-9(10)-EpODE Esi-11.619 :1	286166.00	285395.00	139582.00	124926.00	111312.00	20964.00	121736.00	44924.00	199184.00	219368.00	154859.00	203986.00	168043.00	156104.00	351280.00	320349.00	318126.00	298853.00	314982.00	52897.00	431163.00	255600.00	260330.00	264370.00	416043.00	386502.00	407192.00	55178.00	595683.00	522776.00	380900.00	487215.00	109632.00	95911.00	149654.00	185850.00	279047.00	295494.00	671446.00	590917.00	493138.00	399068.00	651347.00	485952.00	53004.00	189834.00	111754.00	110082.00	185741.00	182051.00	286198.00	261378.00	671402.00	424044.00
C5 H9 N7 O2	60108.00	64646.00	63886.00	62276.00	75473.00	75419.00	69607.00	71733.00	101164.00	100517.00	115196.00	117816.00	59052.00	64280.00	75770.00	73954.00	83552.00	83648.00	86446.00	86497.00	79569.00	85653.00	86852.00	87078.00	75617.00	74125.00	97712.00	97906.00	74295.00	73763.00	76555.00	75510.00	77142.00	77311.00	83644.00	88521.00	84079.00	83174.00	111419.00	105688.00	75650.00	76283.00	81637.00	77191.00	78516.00	88182.00	106248.00	107327.00	100994.00	102560.00	110124.00	114909.00	109278.00	106297.00
C30 H49 N4 O19	1.00	10459.00	51335.00	49922.00	70965.00	63122.00	73025.00	78079.00	59615.00	64084.00	23671.00	23503.00	58183.00	53823.00	20656.00	20375.00	19997.00	18281.00	80101.00	73457.00	81804.00	63192.00	20777.00	22762.00	26195.00	23500.00	79634.00	63518.00	97112.00	96272.00	46983.00	61325.00	78901.00	65835.00	49814.00	57175.00	18745.00	18957.00	73160.00	64823.00	66925.00	61294.00	60625.00	50971.00	1.00	1.00	55835.00	51861.00	59304.00	58588.00	18646.00	14039.00	85114.00	61272.00
C6 H13 N5 O2 S	18196.00	19598.00	41236.00	41954.00	30460.00	32637.00	38163.00	36640.00	30666.00	29443.00	28338.00	31931.00	69410.00	73693.00	33285.00	34230.00	37867.00	36956.00	28977.00	27196.00	45369.00	43267.00	21650.00	23810.00	17331.00	15310.00	93859.00	88153.00	43907.00	43683.00	55596.00	51037.00	25168.00	26053.00	31970.00	30804.00	18047.00	17843.00	56566.00	60197.00	56464.00	56978.00	61577.00	56154.00	18610.00	12961.00	28019.00	29693.00	36947.00	38707.00	32462.00	32255.00	44838.00	47117.00
L-Glutamate	70198.00	70436.00	87474.00	89122.00	85645.00	82618.00	72329.00	71666.00	75982.00	71888.00	72602.00	74037.00	29523.00	23093.00	32213.00	32203.00	79536.00	83662.00	58146.00	56323.00	86054.00	78515.00	31541.00	37800.00	60966.00	58335.00	52066.00	51217.00	49760.00	53034.00	98667.00	95664.00	55296.00	53363.00	61428.00	63992.00	40794.00	43435.00	71829.00	75284.00	38749.00	39939.00	69532.00	66655.00	90757.00	81918.00	85851.00	82959.00	76118.00	73688.00	102005.00	103222.00	82646.00	87673.00
Phe Arg Arg	1.00	1.00	25434.00	21248.00	24685.00	20396.00	25410.00	52809.00	29445.00	32787.00	15933.00	18535.00	23730.00	17841.00	13108.00	12105.00	13358.00	12754.00	32717.00	24742.00	40561.00	19889.00	12479.00	11835.00	11808.00	11668.00	35886.00	20452.00	75142.00	76400.00	14542.00	21350.00	39426.00	25055.00	13081.00	16445.00	1.00	10634.00	30313.00	24430.00	28479.00	21159.00	25386.00	16115.00	1.00	1.00	15065.00	12944.00	21684.00	19843.00	1.00	1.00	48229.00	21551.00
C28 H59 N29 O3	1.00	1.00	40145.00	1.00	12424.00	8532.00	63547.00	93537.00	36748.00	67217.00	1.00	1.00	78858.00	1.00	1.00	1.00	1.00	1.00	89589.00	1.00	38270.00	1.00	1.00	1.00	1.00	1.00	90703.00	16330.00	88037.00	177570.00	1.00	104421.00	61756.00	1.00	1.00	140476.00	1.00	1.00	144295.00	1.00	1.00	1.00	38904.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	19474.00	1.00	79143.00	37473.00
C27 H41 N17 O2	16245.00	20122.00	221660.00	164167.00	228837.00	176250.00	200438.00	599599.00	138655.00	201777.00	34194.00	43686.00	229683.00	149320.00	34996.00	35976.00	131949.00	106202.00	256511.00	152121.00	358096.00	110058.00	34833.00	37106.00	110156.00	83383.00	345302.00	164351.00	555235.00	684806.00	171773.00	399322.00	273416.00	115284.00	106898.00	206630.00	27438.00	43546.00	265184.00	165022.00	159537.00	83685.00	198357.00	83427.00	35724.00	34336.00	71149.00	70556.00	119950.00	101036.00	125833.00	75785.00	449519.00	143565.00
Pandaroside D	1.00	551.00	6836.00	1.00	18291.00	10817.00	21618.00	106134.00	7757.00	14541.00	1.00	1.00	12967.00	1.00	1.00	1.00	1.00	1.00	32102.00	13842.00	42151.00	5845.00	1.00	1.00	1.00	1.00	30880.00	9025.00	52692.00	53070.00	5680.00	19574.00	26585.00	4562.00	1.00	13183.00	275.00	1.00	16372.00	7049.00	9962.00	1.00	12791.00	3484.00	1.00	1.00	1.00	1.00	1.00	1.00	7507.00	1.00	34806.00	6544.00
Coriose	125108.00	124004.00	151737.00	153727.00	202167.00	210953.00	180382.00	178554.00	156768.00	158359.00	151974.00	144277.00	154619.00	170681.00	133261.00	130770.00	159918.00	166920.00	194331.00	192768.00	220850.00	223632.00	137175.00	141348.00	149759.00	150512.00	196148.00	190668.00	168971.00	160574.00	181789.00	182953.00	218286.00	217689.00	232151.00	240312.00	133694.00	143968.00	245591.00	249167.00	153481.00	148726.00	208328.00	196083.00	148603.00	154101.00	237304.00	233221.00	202725.00	199164.00	204328.00	207663.00	188188.00	172854.00
12R,13S-epoxy-9S-hydroxy-10E-octadecenoic acid Esi-10.200995	49238.00	50173.00	20143.00	19888.00	15717.00	20193.00	21499.00	14868.00	30717.00	28951.00	32278.00	32733.00	23207.00	24847.00	61315.00	61750.00	47708.00	53185.00	32073.00	32632.00	38520.00	33139.00	48897.00	46058.00	56541.00	58517.00	54692.00	34665.00	73647.00	48049.00	67192.00	71551.00	17840.00	15595.00	28377.00	25818.00	55797.00	59811.00	76951.00	87259.00	69765.00	65554.00	79627.00	75866.00	41182.00	40402.00	17724.00	17216.00	35836.00	34831.00	50435.00	56184.00	67987.00	69072.00
C4 H4 N2 O6 S Esi-0.96099955	56807.00	68249.00	66357.00	66920.00	59914.00	60111.00	68692.00	78638.00	71334.00	70496.00	79145.00	70563.00	69251.00	68673.00	74103.00	80117.00	77525.00	69751.00	69441.00	75915.00	65571.00	55972.00	74794.00	77066.00	64341.00	61992.00	60294.00	55012.00	73547.00	71824.00	66088.00	68870.00	66713.00	58040.00	55083.00	69289.00	46101.00	70381.00	74937.00	64415.00	72625.00	73575.00	72486.00	64515.00	53714.00	61023.00	56418.00	87652.00	42915.00	61606.00	62677.00	60847.00	67183.00	66726.00
N-Nitroso-N-methylurethane	54535.00	49530.00	53008.00	61196.00	50101.00	51518.00	52078.00	49000.00	66010.00	67366.00	63640.00	76990.00	50116.00	59557.00	29446.00	34319.00	61146.00	59914.00	41287.00	44231.00	35595.00	35455.00	35035.00	38885.00	48837.00	48754.00	48745.00	52951.00	68046.00	70814.00	61656.00	54541.00	60555.00	54841.00	46084.00	50420.00	48876.00	51322.00	51339.00	54962.00	54841.00	56319.00	52508.00	52523.00	56588.00	54467.00	45060.00	44466.00	52351.00	50341.00	50977.00	49762.00	53550.00	50913.00
C45 H79 N3 O13 Esi-12.808005	1.00	1.00	130040.00	67744.00	187706.00	119942.00	154686.00	509261.00	119736.00	186197.00	1.00	1.00	213036.00	81627.00	1.00	1.00	63678.00	43901.00	249870.00	127195.00	275868.00	59598.00	1.00	1.00	69709.00	46584.00	202623.00	99697.00	630172.00	550648.00	87890.00	248177.00	275623.00	77183.00	46685.00	128340.00	1.00	1.00	209900.00	120413.00	118710.00	39810.00	137448.00	31621.00	1.00	1.00	26466.00	28476.00	58975.00	32880.00	92650.00	46113.00	547762.00	111948.00
C13 H20 O4	30301.00	28144.00	19103.00	1.00	1.00	1.00	19294.00	22355.00	25913.00	39075.00	28960.00	48250.00	1.00	14875.00	40908.00	26848.00	65713.00	66199.00	1.00	1.00	30682.00	27664.00	27479.00	35801.00	97217.00	96741.00	26235.00	30270.00	19386.00	26278.00	123539.00	24198.00	16825.00	27147.00	12799.00	18212.00	31202.00	26819.00	18674.00	20849.00	33657.00	39094.00	47393.00	26404.00	13810.00	20832.00	17350.00	26130.00	1.00	1.00	32729.00	35983.00	25057.00	1.00
2(3H)-Furanone	136039.00	145971.00	178498.00	176068.00	197752.00	203290.00	186915.00	193716.00	189481.00	181614.00	148779.00	148472.00	158884.00	149045.00	107466.00	123052.00	157684.00	153462.00	164589.00	172182.00	203793.00	213471.00	118925.00	120290.00	158987.00	157283.00	176042.00	181268.00	158559.00	153203.00	155869.00	150056.00	168218.00	165200.00	167896.00	160667.00	146621.00	140383.00	161656.00	169417.00	158441.00	155652.00	154462.00	135796.00	118322.00	132496.00	163997.00	180995.00	166483.00	167663.00	155493.00	162065.00	185348.00	170214.00
Phytuberin Esi-11.130003	46162.00	42016.00	40140.00	41217.00	48243.00	47761.00	46160.00	1.00	43275.00	42911.00	46285.00	44755.00	37577.00	34256.00	42583.00	42512.00	41847.00	49990.00	50315.00	50961.00	53014.00	45801.00	41517.00	52428.00	41968.00	48256.00	52369.00	36980.00	49520.00	63495.00	39061.00	41986.00	52280.00	45609.00	40435.00	45981.00	55988.00	49344.00	42158.00	46061.00	44437.00	40931.00	53692.00	51322.00	51742.00	40469.00	48701.00	42820.00	41969.00	39886.00	46537.00	47683.00	59212.00	44478.00
C3 H9 Cl3 N3 O2 S2	48165.00	56253.00	11781.00	1.00	1.00	12669.00	14467.00	15405.00	23601.00	25496.00	41934.00	52688.00	16497.00	15600.00	47796.00	52221.00	41218.00	45104.00	14093.00	15068.00	1.00	16327.00	57595.00	49042.00	51831.00	52116.00	13332.00	15093.00	15579.00	19994.00	15305.00	16888.00	1.00	15717.00	15659.00	19265.00	39277.00	44610.00	15734.00	15959.00	19005.00	17232.00	15244.00	18644.00	42039.00	45214.00	14789.00	16920.00	15083.00	12302.00	44300.00	41289.00	15466.00	16235.00
C3 H5 N5 O4	79166.00	76283.00	18400.00	17569.00	17955.00	20594.00	13417.00	11766.00	25579.00	26054.00	58449.00	57370.00	26260.00	24365.00	63016.00	67196.00	59813.00	57170.00	11818.00	12624.00	17611.00	12447.00	84991.00	82059.00	66730.00	61177.00	11012.00	12579.00	10616.00	15327.00	21478.00	20578.00	11340.00	12880.00	25335.00	24080.00	57796.00	58939.00	18613.00	17239.00	21650.00	20986.00	16892.00	18507.00	66141.00	67570.00	18858.00	21538.00	25925.00	27908.00	57977.00	56888.00	14950.00	11817.00
Nonate	75346.00	80621.00	84392.00	83679.00	84336.00	89361.00	79574.00	77362.00	80008.00	79154.00	80458.00	77178.00	76938.00	81335.00	87228.00	84626.00	80333.00	81935.00	85803.00	81985.00	84683.00	89617.00	82799.00	82627.00	86002.00	83264.00	85134.00	87727.00	92227.00	95430.00	95126.00	101596.00	89227.00	86774.00	85677.00	93707.00	87311.00	92988.00	94749.00	92337.00	93945.00	94181.00	88824.00	94485.00	97050.00	97515.00	86070.00	86599.00	80359.00	81974.00	91607.00	94313.00	92077.00	86738.00
3-oxo-nonanoic acid	40999.00	34047.00	51223.00	47643.00	94080.00	81897.00	58502.00	82662.00	42213.00	47093.00	48969.00	51888.00	69989.00	71057.00	50911.00	50124.00	57319.00	47051.00	67064.00	62819.00	52949.00	60184.00	42910.00	40076.00	65606.00	66620.00	121080.00	61822.00	82244.00	107890.00	78830.00	102385.00	87711.00	62697.00	70684.00	74315.00	46708.00	63197.00	71515.00	56355.00	43694.00	40106.00	44044.00	38494.00	67896.00	81052.00	51752.00	47582.00	55189.00	57403.00	60254.00	75719.00	121399.00	63897.00
C38 H56 N6 O11	1.00	1.00	17072.00	1.00	38382.00	21123.00	20411.00	88297.00	12266.00	17116.00	1.00	1.00	25481.00	1.00	1.00	1.00	1.00	1.00	29954.00	12656.00	34853.00	1.00	1.00	1.00	1.00	1.00	37114.00	13354.00	66907.00	75887.00	15146.00	44151.00	34334.00	1.00	1.00	28619.00	1.00	1.00	27844.00	14107.00	12601.00	1.00	14440.00	1.00	1.00	1.00	1.00	1.00	14413.00	1.00	17671.00	1.00	76450.00	15994.00
C10 H18 Cl2 O	90782.00	91416.00	23070.00	26475.00	33067.00	32499.00	41830.00	37008.00	55400.00	52668.00	77020.00	72538.00	41366.00	41376.00	69603.00	70416.00	80085.00	84804.00	35791.00	39071.00	47391.00	48506.00	96715.00	93783.00	90091.00	90764.00	44225.00	45183.00	36281.00	37424.00	44430.00	43422.00	35214.00	36052.00	52426.00	51900.00	76938.00	82918.00	47429.00	43011.00	47753.00	43659.00	40645.00	38828.00	77266.00	73801.00	54785.00	55490.00	56018.00	55572.00	89952.00	86957.00	42341.00	44435.00
Atractylodin	53155.00	56050.00	84567.00	82742.00	87591.00	90819.00	79967.00	84486.00	75429.00	77749.00	61930.00	58150.00	64261.00	64874.00	46010.00	44901.00	61228.00	59761.00	75893.00	78509.00	89495.00	91029.00	53969.00	48751.00	64199.00	61054.00	91362.00	86592.00	73289.00	72865.00	70709.00	70157.00	80069.00	77882.00	72994.00	70477.00	58193.00	57153.00	70979.00	76863.00	71982.00	65013.00	67542.00	68372.00	57944.00	54352.00	81594.00	81791.00	79236.00	85830.00	62702.00	60606.00	84406.00	79277.00
Neoilludin A Esi-5.920003	13311.00	16918.00	16163.00	21422.00	22878.00	25188.00	19507.00	18895.00	19062.00	22679.00	26814.00	25396.00	22021.00	26322.00	24355.00	24259.00	27780.00	28181.00	17575.00	20964.00	17390.00	15919.00	21761.00	24591.00	24380.00	22201.00	34819.00	33519.00	21242.00	24721.00	20807.00	15337.00	28476.00	29053.00	25167.00	25218.00	32063.00	26122.00	16465.00	18250.00	16041.00	14794.00	31226.00	28393.00	80780.00	83111.00	20947.00	24394.00	18879.00	18158.00	28208.00	22961.00	18056.00	17455.00
Oxaloglutarate Esi-5.9769983	61738.00	62360.00	60945.00	59529.00	71102.00	68565.00	72001.00	74723.00	67805.00	69598.00	63038.00	60865.00	52780.00	54636.00	56364.00	55520.00	42372.00	44647.00	67021.00	64850.00	64417.00	69802.00	63593.00	60702.00	68053.00	67280.00	81094.00	78771.00	64306.00	69191.00	79245.00	83556.00	75464.00	73195.00	62988.00	68550.00	69990.00	71361.00	66153.00	63309.00	71340.00	71957.00	42501.00	43382.00	84753.00	86015.00	80943.00	81810.00	77108.00	75893.00	27922.00	30584.00	81617.00	74862.00
C22 H44 O8 Esi-12.243997	1.00	1.00	17472.00	13609.00	19280.00	13881.00	20078.00	88400.00	11245.00	12737.00	1.00	1.00	28368.00	16735.00	13275.00	12704.00	20052.00	19546.00	29948.00	15195.00	55507.00	13806.00	1.00	1.00	14237.00	13583.00	30777.00	23018.00	73763.00	80671.00	22839.00	43670.00	28269.00	9605.00	8520.00	21403.00	8830.00	8689.00	26646.00	16686.00	12736.00	1.00	22814.00	10476.00	1.00	1.00	1.00	1.00	10442.00	10265.00	13518.00	1.00	54132.00	13800.00
C41 H69 N3 O4 S2	1.00	1.00	43182.00	23461.00	116879.00	70952.00	76210.00	345724.00	61952.00	86042.00	1.00	1.00	89499.00	37379.00	1.00	1.00	22237.00	1.00	91732.00	37800.00	117916.00	22333.00	1.00	1.00	29121.00	21673.00	116036.00	38280.00	245824.00	236389.00	48892.00	149085.00	99120.00	36434.00	30251.00	101287.00	1.00	1.00	77785.00	34620.00	48212.00	1.00	52190.00	1.00	1.00	1.00	1.00	1.00	22143.00	1.00	61183.00	31554.00	177073.00	46236.00
Phytuberin Esi-13.126005 :1	1.00	1.00	33782.00	12251.00	58983.00	31478.00	56743.00	163868.00	23867.00	46351.00	1.00	1.00	56662.00	10754.00	1.00	1.00	1.00	1.00	92006.00	29743.00	113780.00	1.00	1.00	1.00	1.00	1.00	98728.00	34328.00	115544.00	198714.00	35647.00	80999.00	85949.00	1.00	1.00	47168.00	1.00	1.00	62762.00	28101.00	28922.00	1.00	33921.00	1.00	1.00	1.00	1.00	1.00	9709.00	1.00	18510.00	1.00	105520.00	26604.00
TRIBOA	99514.00	93938.00	77428.00	84583.00	79826.00	79424.00	33775.00	23717.00	63299.00	65764.00	57906.00	62270.00	55256.00	64658.00	54206.00	61172.00	77500.00	79926.00	79922.00	77907.00	69177.00	69678.00	48627.00	50276.00	71363.00	62254.00	57184.00	62659.00	46711.00	46786.00	63157.00	69993.00	78384.00	83673.00	75136.00	69453.00	45877.00	38945.00	70094.00	61520.00	83884.00	81066.00	67420.00	72439.00	55084.00	61481.00	64206.00	60392.00	1.00	1.00	48500.00	53361.00	58056.00	62116.00
C3 H6 N3 S Esi-1.2149996	254462.00	261380.00	222936.00	221364.00	227327.00	289194.00	286949.00	224570.00	303907.00	321059.00	385645.00	378298.00	239991.00	228218.00	244321.00	246234.00	278575.00	328603.00	290290.00	299810.00	305842.00	263920.00	334745.00	310765.00	290185.00	328919.00	355083.00	310957.00	258127.00	276723.00	224731.00	248221.00	254528.00	254566.00	293321.00	313034.00	296469.00	299367.00	337056.00	370686.00	298146.00	293256.00	289928.00	279772.00	297428.00	305433.00	347440.00	355915.00	307123.00	348756.00	360815.00	389802.00	340523.00	338728.00
C34 H50 N6 O10	1.00	1.00	13434.00	1.00	20679.00	1.00	19931.00	107384.00	14851.00	22512.00	1.00	1.00	23945.00	1.00	1.00	1.00	1.00	1.00	32611.00	10334.00	47055.00	1.00	1.00	1.00	9539.00	1.00	47243.00	12910.00	98846.00	110296.00	12952.00	44435.00	28282.00	1.00	1.00	16390.00	1.00	1.00	29336.00	12971.00	14924.00	1.00	20907.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	16900.00	1.00	71244.00	11471.00
C9 H4 N O10 S Esi-4.5260005	1.00	1.00	1.00	1.00	1.00	49315.00	25175.00	32474.00	25272.00	22175.00	1.00	29079.00	55524.00	1.00	23085.00	33876.00	22300.00	34153.00	41435.00	45122.00	25611.00	27915.00	33327.00	33821.00	116657.00	24421.00	21979.00	20395.00	37886.00	23985.00	51396.00	25472.00	44142.00	41806.00	1.00	1.00	33314.00	39429.00	26074.00	1.00	37150.00	26505.00	19720.00	1.00	29558.00	22250.00	43768.00	37830.00	17826.00	38530.00	28591.00	36559.00	1.00	79564.00
C3 H2 N3 O S3 Esi-1.0530006	230771.00	48875.00	99406.00	63913.00	52588.00	66594.00	67621.00	176446.00	54060.00	63678.00	33017.00	55681.00	117322.00	36594.00	54342.00	45417.00	52585.00	49554.00	47090.00	71684.00	72908.00	116948.00	46730.00	49747.00	29332.00	52775.00	158731.00	34422.00	116199.00	57588.00	51039.00	154021.00	108961.00	57571.00	54551.00	69039.00	64304.00	46001.00	78984.00	47240.00	61544.00	85158.00	57645.00	55009.00	48165.00	56619.00	127794.00	27131.00	58654.00	114920.00	108218.00	50135.00	82856.00	113643.00
PI(20:1(11Z)/0:0)	1.00	1.00	18237.00	1.00	36635.00	20935.00	18903.00	101465.00	9738.00	14164.00	1.00	1.00	23003.00	1.00	1.00	1.00	1.00	1.00	21850.00	11351.00	29845.00	1.00	1.00	1.00	1.00	1.00	33870.00	1.00	52182.00	73908.00	11966.00	40067.00	23186.00	1.00	1.00	28295.00	1.00	1.00	16129.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12936.00	1.00	51241.00	9719.00
C29 H49 N10 O19	1.00	1.00	68275.00	34997.00	82043.00	54002.00	70725.00	93650.00	39552.00	56410.00	1.00	1.00	75791.00	31429.00	1.00	1.00	23238.00	18345.00	86337.00	54814.00	92706.00	25717.00	1.00	15959.00	28481.00	22581.00	87067.00	48837.00	96757.00	94160.00	31666.00	76316.00	83791.00	27488.00	20515.00	67844.00	1.00	12972.00	62811.00	39887.00	45987.00	17846.00	57101.00	16120.00	1.00	1.00	1.00	1.00	26584.00	14226.00	38746.00	23784.00	86649.00	34881.00
C29 H56 O3	1.00	1.00	1.00	1.00	1.00	1.00	21872.00	141352.00	1.00	40671.00	1.00	1.00	28897.00	1.00	1.00	1.00	1.00	1.00	44918.00	1.00	77350.00	1.00	1.00	1.00	1.00	1.00	76114.00	19870.00	185557.00	215156.00	1.00	57681.00	58344.00	1.00	1.00	20215.00	1.00	1.00	44503.00	1.00	24515.00	1.00	32004.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	23219.00	1.00	118591.00	1.00
L-Leucine Esi-1.8960017	148448.00	143807.00	148538.00	156943.00	191922.00	180392.00	177190.00	176314.00	239112.00	234498.00	267753.00	260275.00	156386.00	148483.00	177413.00	174686.00	199500.00	192029.00	187549.00	191061.00	177548.00	190225.00	203517.00	204620.00	192642.00	198474.00	231968.00	242156.00	166772.00	177118.00	186119.00	189914.00	175238.00	185948.00	198303.00	209535.00	207131.00	211440.00	264263.00	255953.00	171539.00	189933.00	194302.00	190267.00	187035.00	196368.00	259244.00	252779.00	239822.00	245497.00	282342.00	269384.00	260791.00	256014.00
C9 Cl2 S5	62460.00	63705.00	73628.00	73666.00	78000.00	76683.00	80798.00	79740.00	68775.00	68092.00	69438.00	66897.00	77364.00	80209.00	69944.00	72337.00	70120.00	71876.00	71091.00	79786.00	73041.00	68149.00	69107.00	68698.00	69779.00	68805.00	74479.00	77234.00	71661.00	71222.00	73753.00	75089.00	77440.00	74033.00	77536.00	74043.00	69314.00	68231.00	73135.00	72158.00	76169.00	72905.00	73683.00	79464.00	64852.00	69868.00	70231.00	76328.00	74419.00	73314.00	73183.00	74164.00	78100.00	76311.00
Tyr Cys Asn	38226.00	34320.00	26429.00	26884.00	32738.00	32917.00	24850.00	28211.00	39439.00	38667.00	21373.00	21133.00	36565.00	37525.00	10093.00	10291.00	41825.00	44884.00	9507.00	11180.00	43904.00	42569.00	31509.00	30581.00	30108.00	32207.00	17497.00	18189.00	77309.00	76577.00	14867.00	14964.00	21470.00	21052.00	35026.00	36630.00	51311.00	53681.00	36447.00	38106.00	31496.00	31107.00	30857.00	33337.00	25794.00	24742.00	24416.00	24041.00	28201.00	26684.00	28819.00	26271.00	23774.00	25032.00
C31 H63 N7 O14	45940.00	48450.00	83139.00	79024.00	85471.00	82115.00	83575.00	81592.00	64302.00	64374.00	62707.00	60824.00	76071.00	76550.00	65177.00	62964.00	57838.00	64131.00	74228.00	79755.00	78514.00	78858.00	55975.00	56220.00	62652.00	60618.00	79055.00	80262.00	79427.00	79100.00	79218.00	81696.00	75898.00	83108.00	77461.00	76039.00	61077.00	64792.00	79617.00	81723.00	79388.00	79715.00	81901.00	81614.00	60696.00	63435.00	72602.00	74339.00	73169.00	73023.00	65042.00	64611.00	81567.00	79602.00
C23 H36 N7 O3	31200.00	30049.00	58956.00	57142.00	24534.00	20482.00	35791.00	30053.00	35717.00	33257.00	27223.00	21065.00	35508.00	45201.00	42666.00	40173.00	84584.00	86155.00	24872.00	26923.00	62299.00	64558.00	35534.00	33827.00	93078.00	91566.00	57544.00	59391.00	36384.00	30087.00	59200.00	54149.00	28048.00	26755.00	37929.00	34295.00	26998.00	26871.00	47900.00	46911.00	68171.00	63330.00	61073.00	56905.00	27842.00	26304.00	42652.00	37913.00	21696.00	22454.00	40478.00	42006.00	39288.00	39269.00
C39 H63 N2 O17	1.00	1.00	22400.00	1.00	55300.00	37243.00	35959.00	91878.00	40430.00	52043.00	1.00	1.00	53252.00	14504.00	1.00	1.00	14287.00	1.00	49638.00	24766.00	56988.00	1.00	1.00	1.00	18880.00	1.00	54099.00	21251.00	92139.00	101972.00	26881.00	72158.00	63468.00	15785.00	1.00	44866.00	1.00	1.00	39332.00	21845.00	24763.00	1.00	22352.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	34927.00	19168.00	86682.00	29587.00
C21 H31 N2 O4	61832.00	60117.00	60812.00	60121.00	62255.00	58794.00	55150.00	59729.00	64967.00	66025.00	62986.00	61539.00	58432.00	61662.00	63634.00	59983.00	63516.00	60379.00	57563.00	61614.00	59228.00	64132.00	60256.00	58712.00	58801.00	62820.00	60173.00	61295.00	66380.00	58018.00	60060.00	59646.00	57458.00	62643.00	82029.00	79767.00	59812.00	62432.00	60961.00	61873.00	64424.00	63711.00	59920.00	61028.00	61496.00	61592.00	62001.00	59449.00	59768.00	58937.00	70681.00	71888.00	59979.00	60638.00
C9 H2 N2 O11 S2	86601.00	86509.00	56840.00	59098.00	62710.00	65817.00	65277.00	65501.00	65156.00	66258.00	82169.00	80758.00	69112.00	67988.00	81864.00	84107.00	84650.00	81710.00	62513.00	66885.00	67638.00	65183.00	85287.00	84966.00	80436.00	83689.00	62639.00	62844.00	62493.00	59170.00	65713.00	67118.00	65009.00	66170.00	70225.00	69710.00	75559.00	81676.00	61047.00	65940.00	68595.00	70076.00	62814.00	64212.00	79402.00	80456.00	67783.00	68516.00	67045.00	67483.00	82316.00	79381.00	61498.00	65651.00
Phytuberin Esi-13.445999	67094.00	63975.00	110120.00	81239.00	135239.00	101250.00	146747.00	382331.00	164201.00	173104.00	72059.00	74275.00	161395.00	106047.00	56937.00	64747.00	123747.00	88234.00	251964.00	150970.00	302084.00	102376.00	73798.00	73114.00	119011.00	90467.00	296085.00	143081.00	437271.00	305317.00	198431.00	247922.00	169887.00	102271.00	62792.00	154806.00	60851.00	76798.00	285447.00	181385.00	192424.00	101378.00	234900.00	108199.00	48324.00	48802.00	55933.00	55773.00	61921.00	62536.00	143461.00	108506.00	370152.00	171950.00
C22 H40 N7 O3 Esi-13.447999	63947.00	65057.00	165682.00	141953.00	203579.00	152072.00	201793.00	261068.00	254037.00	338198.00	94752.00	65584.00	167147.00	68986.00	109830.00	81212.00	99190.00	157295.00	223896.00	188299.00	299742.00	136417.00	71728.00	120569.00	95595.00	77751.00	324743.00	207574.00	209938.00	364166.00	112783.00	291521.00	264077.00	144555.00	115015.00	206140.00	56066.00	120547.00	295101.00	196207.00	255947.00	96152.00	217790.00	97822.00	58894.00	57323.00	53342.00	52770.00	121868.00	109451.00	196901.00	186401.00	713329.00	155022.00
C19 H25 N5 O	23058.00	19480.00	29429.00	23295.00	32431.00	24694.00	34933.00	68056.00	39243.00	48216.00	17754.00	21632.00	38830.00	21500.00	18056.00	15086.00	30876.00	25261.00	67462.00	42523.00	99045.00	29362.00	22088.00	21807.00	31249.00	25428.00	82005.00	46616.00	101900.00	107752.00	46875.00	78050.00	42704.00	19619.00	19770.00	44428.00	16909.00	22798.00	90598.00	60750.00	61540.00	23325.00	83626.00	33681.00	18927.00	16332.00	14971.00	13629.00	26293.00	14793.00	34431.00	24811.00	107049.00	46971.00
C31 H49 N3 O8	1.00	1.00	25157.00	21018.00	29133.00	26292.00	36990.00	48279.00	12384.00	14816.00	1.00	1.00	33528.00	20243.00	1.00	1.00	1.00	1.00	39373.00	27720.00	58273.00	23465.00	1.00	1.00	1.00	1.00	60822.00	29341.00	101076.00	72403.00	1.00	31218.00	23569.00	26155.00	1.00	21809.00	1.00	1.00	36029.00	21178.00	12802.00	21904.00	25551.00	1.00	1.00	1.00	20301.00	21990.00	27901.00	25075.00	1.00	1.00	49285.00	1.00
C15 H Cl3 N O S5	73210.00	73899.00	63434.00	59991.00	67515.00	67783.00	70434.00	69705.00	67412.00	65100.00	79251.00	79336.00	67122.00	73025.00	79466.00	80114.00	81768.00	80482.00	65250.00	68877.00	69127.00	72279.00	82378.00	80367.00	77798.00	77956.00	67262.00	65504.00	65605.00	65998.00	64863.00	68773.00	61715.00	66303.00	73177.00	75738.00	77454.00	79808.00	67080.00	65341.00	72125.00	73474.00	68594.00	69547.00	76405.00	81953.00	66115.00	68211.00	70180.00	67446.00	75361.00	79700.00	68707.00	69073.00
C10 H2 N4 O11 S Esi-0.83599967	53571.00	53644.00	134248.00	134294.00	51641.00	145041.00	50528.00	155370.00	48638.00	46534.00	225941.00	49262.00	159863.00	160027.00	52901.00	53350.00	229708.00	57399.00	56180.00	161995.00	170078.00	168294.00	56708.00	62359.00	241894.00	52370.00	155807.00	54880.00	149306.00	146133.00	157593.00	51109.00	177554.00	57033.00	57615.00	193654.00	58547.00	51493.00	165988.00	154919.00	178012.00	173714.00	158285.00	153762.00	235170.00	22915.00	177836.00	175472.00	30220.00	52239.00	230676.00	55055.00	53862.00	53577.00
2-amino-4-hydroxy-3-methylpentanoic acid	39160.00	40368.00	52577.00	56721.00	58414.00	60831.00	60851.00	65290.00	53305.00	56180.00	63658.00	64384.00	47863.00	49784.00	51168.00	53407.00	44076.00	44920.00	67835.00	65114.00	64485.00	66385.00	76088.00	70540.00	63188.00	64508.00	47038.00	46382.00	49295.00	48809.00	61050.00	60078.00	63954.00	62356.00	63237.00	68372.00	85378.00	88697.00	71605.00	71815.00	53115.00	54186.00	54379.00	50283.00	45326.00	44664.00	66887.00	69381.00	67171.00	70172.00	66480.00	73787.00	74744.00	70883.00
Purine Esi-0.8950004	294620.00	346122.00	421693.00	413781.00	413370.00	418719.00	430468.00	409340.00	360247.00	368448.00	320189.00	290125.00	349639.00	317452.00	221480.00	225992.00	297361.00	272155.00	334432.00	334699.00	368391.00	419516.00	254963.00	258068.00	349937.00	327967.00	451056.00	440325.00	390343.00	377857.00	331953.00	364412.00	380974.00	374559.00	410921.00	375817.00	309082.00	327032.00	382908.00	379163.00	329790.00	353778.00	362982.00	348648.00	296287.00	289667.00	392192.00	435175.00	361198.00	402666.00	337975.00	345194.00	422481.00	416399.00
2-Hydroxy-6-oxonona-2,4-diene-1,9-dioate	1.00	1.00	34885.00	41192.00	83271.00	85663.00	49925.00	48327.00	24398.00	25724.00	1.00	1.00	20906.00	20798.00	1.00	1.00	25790.00	24184.00	24506.00	26239.00	78300.00	77751.00	1.00	1.00	19847.00	18441.00	23614.00	20673.00	23145.00	24837.00	1.00	1.00	24877.00	25497.00	56849.00	56572.00	23239.00	22021.00	49710.00	45704.00	21035.00	22864.00	38267.00	41386.00	17504.00	1.00	59273.00	58503.00	25148.00	24782.00	24563.00	24442.00	32473.00	33235.00
C35 H46 O	155533.00	12872.00	1.00	118772.00	52330.00	55308.00	32904.00	57249.00	1.00	46660.00	87930.00	103666.00	156339.00	60967.00	272747.00	88461.00	203443.00	163809.00	40569.00	82721.00	64278.00	114949.00	1.00	148202.00	326995.00	1.00	56191.00	64879.00	48353.00	62533.00	1.00	76099.00	101627.00	1.00	1.00	34021.00	151031.00	113893.00	32005.00	57524.00	1.00	101856.00	246866.00	156422.00	273711.00	23850.00	55410.00	79937.00	1.00	99520.00	91971.00	143138.00	62417.00	1.00
C28 H49 N3 O8	1.00	1.00	19889.00	49306.00	30820.00	19725.00	26242.00	102226.00	51398.00	19291.00	1.00	13207.00	23675.00	39801.00	1.00	1.00	25062.00	16428.00	33023.00	19460.00	42134.00	32407.00	13450.00	13426.00	28681.00	21489.00	42216.00	15764.00	90754.00	102893.00	14877.00	39787.00	27084.00	44866.00	25761.00	20290.00	1.00	17192.00	28008.00	17397.00	15954.00	23084.00	16291.00	21686.00	1.00	1.00	16700.00	17282.00	33240.00	23149.00	44780.00	21259.00	55769.00	50367.00
Phytuberin Esi-12.8150015	19038.00	18959.00	1.00	24125.00	1.00	1.00	1.00	1.00	43245.00	1.00	21567.00	29859.00	1.00	29506.00	20992.00	18297.00	35740.00	28118.00	1.00	39571.00	77485.00	31177.00	27950.00	15949.00	35361.00	26169.00	167377.00	57346.00	1.00	1.00	42947.00	1.00	81875.00	27066.00	28983.00	1.00	16943.00	25889.00	95201.00	52222.00	44313.00	26934.00	49216.00	21799.00	17371.00	19011.00	18384.00	22663.00	21305.00	26678.00	52077.00	32107.00	298448.00	35489.00
His Ser	54616.00	52666.00	59189.00	58443.00	73008.00	72243.00	63872.00	62566.00	77632.00	74522.00	71393.00	66613.00	64217.00	63188.00	40878.00	41752.00	44482.00	45456.00	50647.00	49829.00	55182.00	56575.00	41572.00	42533.00	73043.00	74787.00	67639.00	68293.00	68320.00	69842.00	70947.00	67665.00	81423.00	81426.00	71079.00	66564.00	71893.00	69956.00	65647.00	66345.00	73303.00	82221.00	68007.00	71402.00	72418.00	74443.00	74697.00	78991.00	69740.00	71540.00	64983.00	65440.00	67636.00	74440.00
Alanine Esi-0.8769998	60783.00	62094.00	96248.00	101547.00	85491.00	83127.00	73855.00	75968.00	88500.00	85442.00	79482.00	81883.00	65544.00	62067.00	43625.00	41312.00	81072.00	85536.00	62463.00	58761.00	70829.00	74935.00	57089.00	51763.00	76419.00	73535.00	72945.00	83946.00	79378.00	76849.00	82266.00	84397.00	86470.00	89471.00	86166.00	85099.00	57307.00	53453.00	68118.00	72039.00	61759.00	67272.00	71830.00	73010.00	81419.00	80425.00	92164.00	89275.00	88339.00	88836.00	69446.00	66924.00	69415.00	67116.00
C26 H49 N16 O3 S	1.00	1.00	33246.00	28748.00	38833.00	33144.00	29425.00	81006.00	23654.00	27661.00	1.00	1.00	39195.00	25793.00	1.00	1.00	31000.00	25465.00	33123.00	20374.00	54042.00	15577.00	1.00	1.00	22381.00	20575.00	48663.00	20584.00	78845.00	93061.00	35407.00	75927.00	46262.00	19159.00	19778.00	38210.00	1.00	1.00	31861.00	25633.00	21091.00	11667.00	27827.00	11759.00	10629.00	1.00	11434.00	14035.00	18962.00	14827.00	32156.00	18362.00	71900.00	19448.00
Probenecid	43307.00	46819.00	57796.00	50544.00	48339.00	51707.00	49465.00	48582.00	71004.00	71146.00	63925.00	64528.00	52018.00	49240.00	31734.00	34690.00	49422.00	50561.00	43320.00	45570.00	46191.00	44636.00	44937.00	43070.00	54922.00	52232.00	53109.00	54337.00	74537.00	69586.00	69097.00	67663.00	57564.00	59144.00	55972.00	58928.00	60000.00	59475.00	66833.00	64156.00	52922.00	55246.00	54152.00	49840.00	43638.00	44817.00	49106.00	49152.00	52456.00	52364.00	49202.00	49634.00	58039.00	60210.00
C13 H20 O4 Esi-9.860999	64183.00	62886.00	68074.00	65381.00	76449.00	79757.00	71933.00	64528.00	71754.00	67262.00	82015.00	87016.00	64823.00	71033.00	59186.00	59312.00	62005.00	68079.00	79228.00	81476.00	66140.00	66249.00	65771.00	66876.00	88041.00	79428.00	71228.00	72423.00	70685.00	71809.00	66716.00	70268.00	74514.00	68430.00	82910.00	79568.00	72087.00	71152.00	70949.00	62274.00	68862.00	60814.00	68324.00	64756.00	66537.00	66426.00	60538.00	65776.00	79724.00	78700.00	72497.00	73739.00	76579.00	73450.00
C22 H40 N7 O3 Esi-14.122005	19008.00	27854.00	100406.00	74932.00	110611.00	99072.00	188382.00	148682.00	60952.00	49771.00	76688.00	45677.00	110151.00	97265.00	68327.00	27354.00	59658.00	49079.00	149388.00	128428.00	180346.00	21202.00	26873.00	23128.00	62362.00	37874.00	127959.00	87825.00	130394.00	497519.00	207858.00	139399.00	118057.00	61034.00	65277.00	103597.00	49576.00	48441.00	103883.00	103545.00	120130.00	45494.00	101098.00	49953.00	39734.00	40791.00	44238.00	22542.00	33640.00	44887.00	70366.00	81693.00	142100.00	98826.00
C26 H39 N17 O14	13762.00	13060.00	72664.00	62071.00	82254.00	70251.00	77301.00	74751.00	60595.00	68458.00	18890.00	27647.00	73610.00	60906.00	18789.00	18027.00	33983.00	30062.00	80490.00	62010.00	82581.00	48749.00	21065.00	22316.00	33361.00	29065.00	80966.00	62714.00	80745.00	78467.00	50734.00	73151.00	82886.00	57466.00	44069.00	71135.00	16744.00	22684.00	64535.00	52894.00	59474.00	39193.00	58485.00	35717.00	15759.00	17261.00	36502.00	38035.00	53213.00	43643.00	45386.00	31422.00	78025.00	54488.00
C6 H2 N2 O3 S Esi-0.84299964	668935.00	638355.00	523212.00	498801.00	509929.00	522002.00	506113.00	577076.00	565531.00	597103.00	655221.00	603251.00	640036.00	622712.00	680791.00	629378.00	610781.00	670389.00	617189.00	621263.00	613919.00	580643.00	649091.00	707933.00	615785.00	657131.00	600688.00	575124.00	531378.00	538436.00	553504.00	580946.00	559832.00	595389.00	599406.00	632522.00	635306.00	605095.00	605521.00	552646.00	620338.00	532342.00	590902.00	554216.00	652742.00	656037.00	603459.00	610074.00	592135.00	599151.00	595024.00	668917.00	584654.00	516165.00
C29 H55 N6 O9 S	1.00	1.00	34282.00	26577.00	37331.00	29058.00	33948.00	82023.00	18264.00	25857.00	1.00	1.00	38833.00	28326.00	1.00	1.00	19132.00	18312.00	35054.00	22654.00	41372.00	14069.00	1.00	1.00	13147.00	11395.00	43730.00	20723.00	76726.00	84063.00	30611.00	68908.00	36123.00	18202.00	18453.00	36691.00	1.00	1.00	31220.00	18541.00	17206.00	1.00	23193.00	11874.00	1.00	1.00	11963.00	11622.00	16062.00	13866.00	23275.00	15036.00	65683.00	21094.00
L-Homotyrosine	55259.00	58729.00	63632.00	62747.00	68958.00	68889.00	54026.00	57579.00	83901.00	78488.00	65273.00	64449.00	75997.00	84054.00	65670.00	65845.00	67986.00	68076.00	61163.00	63629.00	70709.00	67814.00	67926.00	66317.00	70173.00	77294.00	61780.00	62906.00	76558.00	75941.00	66870.00	65668.00	68684.00	64378.00	67048.00	59112.00	62610.00	65447.00	69254.00	70752.00	74069.00	65639.00	67318.00	68969.00	82895.00	80818.00	67858.00	66253.00	65807.00	64325.00	70071.00	70379.00	65447.00	68160.00
C31 Cl3 S2	67644.00	63789.00	50542.00	50824.00	54851.00	56536.00	55263.00	55520.00	51620.00	53580.00	69077.00	68175.00	58204.00	61880.00	71175.00	69659.00	65560.00	70564.00	54478.00	58300.00	60988.00	56157.00	69003.00	71343.00	62385.00	70329.00	59543.00	55966.00	52726.00	53406.00	53061.00	59144.00	60459.00	58855.00	64554.00	63714.00	67080.00	68442.00	53747.00	56879.00	61202.00	61568.00	56611.00	55380.00	69630.00	68033.00	60108.00	57651.00	55373.00	59250.00	68212.00	73649.00	53500.00	55196.00
C15 H44 N17 S	101560.00	1.00	24317.00	1.00	77073.00	51007.00	66981.00	276745.00	46812.00	54655.00	110316.00	63098.00	34421.00	1.00	1.00	1.00	11780.00	23696.00	81462.00	36221.00	123701.00	71339.00	1.00	1.00	28295.00	1.00	41119.00	38810.00	143930.00	225044.00	38399.00	68106.00	70175.00	65932.00	1.00	55538.00	1.00	1.00	72199.00	10913.00	46126.00	1.00	42112.00	1.00	1.00	26416.00	1.00	1.00	24401.00	1.00	43567.00	1.00	139709.00	22093.00
Pregna-4,16-diene-3,11,20-trione Esi-10.9500065	250552.00	256350.00	247412.00	71488.00	66502.00	239951.00	70677.00	64535.00	250821.00	252650.00	264943.00	254682.00	222678.00	234996.00	234147.00	250430.00	67572.00	221899.00	242091.00	237230.00	216084.00	55349.00	232357.00	237128.00	246215.00	206496.00	229691.00	217737.00	66543.00	261444.00	212285.00	191535.00	65186.00	61835.00	223436.00	59643.00	66912.00	67377.00	225952.00	70024.00	220265.00	238630.00	66298.00	223478.00	235553.00	206967.00	49730.00	199649.00	59926.00	191977.00	223628.00	228747.00	200387.00	194755.00
2-Benzothiazolesulfonamide	60756.00	62035.00	58915.00	61930.00	73230.00	76926.00	71638.00	74781.00	63691.00	72388.00	57550.00	56026.00	61349.00	64633.00	69630.00	73345.00	76100.00	72197.00	53263.00	53649.00	69869.00	71613.00	66924.00	66331.00	65802.00	71935.00	57850.00	52509.00	65509.00	64853.00	61453.00	56119.00	60185.00	54201.00	63619.00	66123.00	56970.00	55414.00	58295.00	60083.00	67069.00	64670.00	60289.00	57044.00	61598.00	62147.00	62583.00	60972.00	19071.00	21086.00	22818.00	23200.00	23090.00	21903.00
Teniposide	59228.00	55561.00	45060.00	42765.00	62458.00	59479.00	36619.00	29827.00	41173.00	40705.00	70008.00	73224.00	42574.00	46935.00	64053.00	65366.00	53625.00	50345.00	46887.00	47633.00	40251.00	40619.00	40223.00	41953.00	80242.00	80334.00	80333.00	77987.00	54525.00	50781.00	50289.00	51080.00	59479.00	61910.00	59001.00	58843.00	55963.00	53769.00	55261.00	56003.00	46681.00	47458.00	52756.00	55585.00	52299.00	53307.00	54117.00	55113.00	49148.00	47888.00	54424.00	54452.00	54399.00	54222.00
C36 H56 N15 O	70817.00	72214.00	71190.00	72100.00	72839.00	71672.00	69998.00	72203.00	69895.00	67547.00	70833.00	62616.00	61054.00	71303.00	71051.00	67287.00	67583.00	67082.00	69270.00	65535.00	69014.00	66998.00	70217.00	68891.00	67542.00	64573.00	67813.00	66331.00	65760.00	66629.00	69793.00	69019.00	67500.00	69975.00	68219.00	71690.00	73125.00	69278.00	71991.00	72082.00	86369.00	81815.00	70094.00	73781.00	72872.00	72919.00	69175.00	68203.00	68244.00	66258.00	68614.00	67550.00	70415.00	71282.00
C39 H63 N6 O4 S	1.00	1.00	13374.00	6602.00	55364.00	34902.00	21101.00	87878.00	9041.00	13835.00	1.00	1.00	26573.00	10215.00	1.00	1.00	1.00	1.00	30525.00	16060.00	18209.00	1.00	1.00	1.00	1.00	1.00	21028.00	6863.00	47718.00	58781.00	15292.00	42199.00	32336.00	8162.00	12483.00	41356.00	1.00	1.00	15262.00	7625.00	4790.00	1.00	6780.00	1.00	1.00	1.00	1.00	1.00	10298.00	7868.00	12265.00	6790.00	45353.00	9983.00
2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene	81955.00	78150.00	57044.00	59294.00	78159.00	78741.00	66716.00	65151.00	59256.00	58530.00	70407.00	68847.00	69341.00	66791.00	32523.00	38709.00	63343.00	65893.00	51929.00	48822.00	79092.00	78388.00	41601.00	44673.00	65224.00	66617.00	60071.00	55545.00	68027.00	62079.00	52185.00	54646.00	57731.00	58294.00	67218.00	64268.00	57175.00	58616.00	60579.00	62870.00	52125.00	51062.00	44818.00	47180.00	50516.00	46210.00	60001.00	61271.00	70672.00	69640.00	60643.00	55441.00	60472.00	59215.00
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-octanoate	42809.00	44131.00	44196.00	43958.00	51416.00	47417.00	51326.00	44607.00	46970.00	46667.00	49423.00	46738.00	46436.00	45445.00	42071.00	46095.00	40196.00	39721.00	45999.00	42507.00	41744.00	41869.00	37375.00	37476.00	44961.00	33625.00	41367.00	41005.00	43069.00	38226.00	41045.00	39294.00	41090.00	39742.00	43415.00	46326.00	43991.00	39432.00	48843.00	42634.00	41086.00	41490.00	70303.00	64254.00	40830.00	41449.00	41188.00	39872.00	42437.00	39219.00	40413.00	44615.00	45560.00	41964.00
Allantoin Esi-0.9399995	105629.00	111182.00	103342.00	109533.00	151483.00	149552.00	129805.00	138304.00	136491.00	136875.00	118646.00	115661.00	107439.00	115189.00	103603.00	96817.00	168804.00	171800.00	100471.00	104732.00	157719.00	157032.00	114204.00	112263.00	147336.00	136436.00	129395.00	126131.00	138386.00	132945.00	118748.00	113058.00	115165.00	120504.00	123761.00	127304.00	125273.00	121105.00	128183.00	130907.00	116346.00	115673.00	163491.00	161211.00	156025.00	158672.00	190946.00	185143.00	150225.00	142865.00	169745.00	174122.00	147184.00	144361.00
6E-nonenoic acid	81607.00	84943.00	120708.00	120347.00	99790.00	101103.00	94896.00	100141.00	86929.00	84194.00	80484.00	78548.00	93239.00	112046.00	113331.00	116678.00	140220.00	144757.00	96892.00	92161.00	120174.00	116973.00	86842.00	93921.00	158807.00	168907.00	123592.00	117666.00	95997.00	98727.00	134472.00	143324.00	92638.00	90191.00	101540.00	98874.00	92336.00	75230.00	116817.00	105721.00	111886.00	111137.00	110226.00	112769.00	97511.00	98942.00	82984.00	90043.00	79437.00	77042.00	115672.00	114984.00	102426.00	106075.00
C37 H55 N18 O11	1.00	1.00	1.00	1.00	47773.00	29516.00	29072.00	85177.00	32028.00	41669.00	1.00	1.00	44039.00	1.00	1.00	1.00	1.00	1.00	42269.00	1.00	50992.00	1.00	1.00	1.00	1.00	1.00	50253.00	1.00	108808.00	115593.00	26185.00	72993.00	52388.00	1.00	1.00	47995.00	1.00	1.00	41655.00	1.00	1.00	1.00	23413.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	38926.00	1.00	93904.00	1.00
C21 H46 N3 O S2	1.00	1.00	7685.00	4094.00	19413.00	10595.00	16090.00	76298.00	5976.00	9066.00	1.00	1.00	17297.00	4703.00	1.00	1.00	3607.00	4011.00	16717.00	6771.00	24459.00	3542.00	1.00	1.00	3250.00	1.00	26038.00	8601.00	46028.00	51172.00	6862.00	25330.00	18909.00	3029.00	1.00	14119.00	1.00	1.00	14352.00	6040.00	5790.00	1.00	10728.00	1.00	6300.00	6323.00	1.00	1.00	1.00	1.00	5917.00	3580.00	33796.00	6491.00
C9 H4 N O10 S Esi-1.7799994	25053.00	28208.00	36586.00	39458.00	1.00	29722.00	44631.00	23079.00	23679.00	32384.00	60375.00	26046.00	1.00	24932.00	25985.00	38102.00	31553.00	34173.00	27064.00	33408.00	28229.00	1.00	1.00	29116.00	30061.00	60505.00	34386.00	28479.00	60468.00	25495.00	40971.00	31973.00	51376.00	30295.00	25781.00	71925.00	35222.00	62411.00	30434.00	33391.00	82496.00	43823.00	25533.00	38810.00	43955.00	50345.00	33301.00	40560.00	32477.00	58704.00	33797.00	35578.00	1.00	36649.00
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid Esi-8.378999	152608.00	151008.00	68191.00	67673.00	77473.00	77075.00	58933.00	60702.00	81128.00	83242.00	117021.00	118142.00	89421.00	98761.00	217753.00	216340.00	133739.00	137747.00	166632.00	164345.00	130623.00	133023.00	154487.00	153752.00	181005.00	187152.00	143572.00	138490.00	148891.00	151470.00	220252.00	220815.00	62593.00	57586.00	111516.00	114729.00	189234.00	190358.00	282821.00	306123.00	197664.00	191200.00	248664.00	245317.00	229538.00	223657.00	70953.00	72892.00	130369.00	132102.00	175757.00	179976.00	242123.00	246334.00
C22 H32 N19 O7	13617.00	17380.00	18077.00	14727.00	41664.00	16087.00	28306.00	41795.00	11098.00	37273.00	10901.00	16877.00	33702.00	16593.00	22863.00	12719.00	11885.00	11377.00	33126.00	25514.00	42663.00	8755.00	1.00	10202.00	22377.00	1.00	63422.00	33417.00	77872.00	55963.00	18011.00	33851.00	50666.00	18004.00	13133.00	33419.00	10955.00	17483.00	34489.00	35227.00	13288.00	1.00	9760.00	1.00	1.00	1.00	1.00	8955.00	23057.00	14101.00	33173.00	10416.00	68495.00	19284.00
C8 H12 Cl N3 O3	86167.00	89108.00	32800.00	32551.00	37205.00	39299.00	46310.00	44340.00	70920.00	66851.00	84370.00	82771.00	60942.00	60849.00	67914.00	66129.00	91281.00	89069.00	41279.00	43650.00	53931.00	56606.00	79037.00	83305.00	89219.00	90956.00	51295.00	51654.00	58441.00	56536.00	54464.00	53903.00	45759.00	46093.00	63195.00	65437.00	88296.00	97594.00	56302.00	56584.00	60668.00	59358.00	50884.00	54292.00	83425.00	79968.00	63598.00	64510.00	67984.00	70521.00	86889.00	96279.00	49434.00	49467.00
C30 H48 N6 O8	1.00	1.00	6421.00	1.00	16335.00	8148.00	18404.00	74502.00	6488.00	9483.00	1.00	1.00	9000.00	1.00	1.00	1.00	1.00	1.00	27151.00	11062.00	28454.00	4098.00	1.00	1.00	1.00	1.00	21243.00	6630.00	36979.00	36958.00	3942.00	15844.00	19876.00	3664.00	1.00	11562.00	1.00	1.00	13769.00	5527.00	7347.00	1.00	9439.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	5225.00	1.00	22070.00	5207.00
Pregna-4,16-diene-3,11,20-trione Esi-10.948997	169636.00	254327.00	231091.00	242843.00	180449.00	257066.00	186803.00	219653.00	247941.00	250019.00	263686.00	260110.00	223803.00	231161.00	159332.00	181156.00	251400.00	234765.00	246501.00	231544.00	233761.00	227167.00	240848.00	217801.00	246115.00	235677.00	167726.00	210604.00	240165.00	215391.00	195496.00	215748.00	178004.00	153333.00	223734.00	224818.00	141803.00	214121.00	161440.00	224712.00	241085.00	162588.00	164212.00	164120.00	172443.00	229292.00	216267.00	202293.00	150139.00	209976.00	223309.00	228134.00	202921.00	215670.00
C28 H43 N7 O2	8396.00	7007.00	21591.00	14444.00	27945.00	15682.00	21542.00	84279.00	15611.00	17873.00	7510.00	8673.00	26715.00	13503.00	8405.00	5911.00	10200.00	10052.00	31654.00	16445.00	37506.00	11603.00	8256.00	8723.00	13182.00	12252.00	38607.00	15224.00	78155.00	81254.00	13842.00	35319.00	34874.00	10557.00	9377.00	23071.00	7798.00	10980.00	23348.00	16014.00	16734.00	10028.00	19712.00	8925.00	6314.00	5787.00	9414.00	7275.00	11696.00	10218.00	17205.00	13956.00	45969.00	13344.00
5-(4-Hydroxybut-1-ynyl)-2,2'-bithiophene	122694.00	116053.00	1.00	1.00	1.00	1.00	19176.00	18639.00	49388.00	44064.00	95417.00	100603.00	52154.00	54539.00	115582.00	129641.00	95637.00	97419.00	28036.00	28654.00	20977.00	23294.00	124142.00	116965.00	94959.00	89839.00	19518.00	19182.00	26974.00	24893.00	37951.00	35594.00	20141.00	21272.00	45339.00	46974.00	95216.00	97075.00	32412.00	35415.00	46489.00	43367.00	38193.00	37938.00	117470.00	112870.00	30420.00	30853.00	45867.00	46556.00	86069.00	82619.00	22162.00	23285.00
C20 H41 N4 O13 S	33666.00	34634.00	44952.00	47926.00	49993.00	50222.00	51699.00	49788.00	43531.00	41440.00	57523.00	55033.00	43465.00	43125.00	49290.00	52051.00	47898.00	45176.00	45943.00	47054.00	44791.00	45660.00	53238.00	50325.00	50396.00	50867.00	52752.00	53554.00	50116.00	48420.00	45854.00	46956.00	49815.00	49756.00	50942.00	45201.00	52703.00	51823.00	55150.00	53641.00	57013.00	57129.00	50256.00	51917.00	46825.00	49389.00	61153.00	62689.00	58834.00	58738.00	67220.00	62353.00	59449.00	59398.00
AT-56	1.00	1.00	51201.00	24545.00	62802.00	32335.00	1.00	17060.00	1.00	12514.00	1.00	1.00	32052.00	9272.00	1.00	1.00	8947.00	1.00	17811.00	1.00	42798.00	1.00	1.00	1.00	1.00	1.00	21736.00	1.00	57092.00	61695.00	1.00	23023.00	33392.00	1.00	1.00	1.00	1.00	1.00	10245.00	1.00	1.00	1.00	13421.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	22246.00	1.00
C37 H59 N2 O17	1.00	1.00	20605.00	1.00	21670.00	1.00	18729.00	63977.00	14980.00	21702.00	1.00	1.00	24487.00	1.00	1.00	1.00	1.00	1.00	26904.00	1.00	45775.00	1.00	1.00	1.00	1.00	1.00	51598.00	18988.00	80846.00	83427.00	14044.00	55902.00	30328.00	1.00	1.00	24811.00	1.00	1.00	29452.00	14972.00	18856.00	1.00	26505.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	18875.00	1.00	51374.00	1.00
C15 H14 O6 S	18893.00	17355.00	18930.00	18901.00	19187.00	19429.00	42927.00	40460.00	41106.00	39431.00	14865.00	13678.00	12348.00	13593.00	91975.00	91107.00	37280.00	37275.00	139112.00	144606.00	121692.00	128291.00	109432.00	109961.00	27892.00	29490.00	28159.00	26842.00	56224.00	57448.00	55095.00	59931.00	65399.00	61748.00	30241.00	26966.00	86204.00	89749.00	25012.00	26421.00	16339.00	16693.00	38128.00	33787.00	35437.00	32140.00	55680.00	55501.00	23528.00	22931.00	92437.00	93410.00	33313.00	33272.00
C29 H49 N2 O15	41310.00	43699.00	24754.00	26441.00	33547.00	32197.00	36323.00	38376.00	32086.00	33145.00	57799.00	58845.00	26017.00	32715.00	67853.00	67930.00	41657.00	41455.00	37003.00	36571.00	48955.00	46355.00	57884.00	59959.00	75210.00	76306.00	39615.00	37671.00	41438.00	47602.00	48029.00	50039.00	33448.00	32103.00	36393.00	37324.00	53652.00	55077.00	40388.00	40485.00	40272.00	39853.00	41378.00	38855.00	57029.00	59661.00	36809.00	37179.00	31247.00	33906.00	63333.00	62666.00	42996.00	41587.00
3'-Oxopentobarbitone	25153.00	29214.00	21409.00	18573.00	28745.00	28966.00	18772.00	16060.00	28730.00	29774.00	13937.00	9699.00	27773.00	24154.00	1.00	1.00	33797.00	35516.00	1.00	1.00	31173.00	33366.00	23692.00	20117.00	22552.00	24520.00	12705.00	12271.00	72147.00	71865.00	1.00	8473.00	13425.00	9839.00	26523.00	26838.00	38685.00	41818.00	31051.00	32731.00	26938.00	25491.00	27069.00	25680.00	16291.00	16805.00	19901.00	17297.00	23533.00	20487.00	19997.00	21939.00	17241.00	19433.00
C25 H41 O4	17642.00	16790.00	44081.00	35390.00	78084.00	59816.00	5085.00	10607.00	1.00	4778.00	3940.00	4065.00	74019.00	53742.00	12503.00	11555.00	8879.00	8825.00	26973.00	17113.00	14098.00	4703.00	5765.00	4648.00	3982.00	1.00	14911.00	7353.00	28406.00	28089.00	13920.00	24723.00	7447.00	1.00	4314.00	7218.00	11802.00	12053.00	5701.00	4244.00	11304.00	6738.00	104083.00	54626.00	10358.00	9714.00	3451.00	3461.00	3416.00	4050.00	7473.00	4999.00	13906.00	3854.00
C4 H6 O5	111956.00	123471.00	32611.00	32244.00	35685.00	36447.00	58212.00	62838.00	83937.00	80176.00	113398.00	109714.00	80042.00	80059.00	114070.00	117372.00	119545.00	124580.00	67900.00	67767.00	65141.00	60245.00	130226.00	134202.00	131359.00	128614.00	60713.00	60265.00	69822.00	71529.00	79240.00	79087.00	61218.00	63658.00	87929.00	90504.00	127234.00	128378.00	78208.00	80712.00	85426.00	86977.00	79118.00	77047.00	128785.00	129475.00	77535.00	76018.00	90754.00	87168.00	115447.00	125548.00	69041.00	70250.00
C4 H2 N O5 S Esi-0.7890003	17645.00	982302.00	464778.00	339572.00	288908.00	388199.00	482973.00	443161.00	591039.00	637289.00	720245.00	864723.00	509525.00	576681.00	906095.00	892168.00	904307.00	856746.00	507793.00	496666.00	511060.00	508388.00	9171.00	942612.00	917160.00	856459.00	522727.00	492035.00	428448.00	377825.00	457429.00	390941.00	499834.00	492565.00	518672.00	584748.00	755107.00	884827.00	528930.00	556096.00	521059.00	555820.00	498778.00	472628.00	860448.00	4862.00	826890.00	762155.00	580064.00	577801.00	797848.00	898029.00	424406.00	466662.00
1-(3-Carboxypropyl)-3,7-dimethylxanthine	39694.00	38574.00	22178.00	23548.00	33561.00	35588.00	36007.00	33317.00	32719.00	34298.00	25659.00	23944.00	17177.00	18468.00	19442.00	19981.00	62837.00	61081.00	21211.00	19412.00	60890.00	64408.00	37128.00	35868.00	45320.00	47858.00	25033.00	24545.00	85706.00	81671.00	23111.00	23267.00	19110.00	22130.00	33667.00	35544.00	69465.00	66715.00	72519.00	73030.00	36013.00	38745.00	69702.00	66575.00	34192.00	40311.00	36534.00	36034.00	32311.00	28841.00	70824.00	75604.00	44910.00	43182.00
6-Oxocineole	60911.00	77989.00	96740.00	124637.00	85353.00	79823.00	60678.00	58722.00	67653.00	54661.00	56344.00	52357.00	77253.00	99025.00	115891.00	80792.00	111857.00	125981.00	69817.00	53210.00	86050.00	70617.00	60352.00	55289.00	98349.00	111494.00	76724.00	85088.00	66324.00	37682.00	75706.00	90513.00	76368.00	64262.00	108419.00	66003.00	77163.00	74622.00	99936.00	80734.00	97840.00	92066.00	95588.00	80470.00	52049.00	85568.00	92583.00	62902.00	54514.00	61532.00	101604.00	83603.00	75758.00	103450.00
C7 H5 O7	15417.00	16896.00	11806.00	12807.00	15218.00	17166.00	25579.00	24629.00	24985.00	20665.00	13290.00	12267.00	1.00	1.00	39784.00	39381.00	47112.00	44199.00	67586.00	72014.00	74233.00	75083.00	48980.00	52839.00	19100.00	22660.00	23327.00	25507.00	49680.00	53166.00	39455.00	45247.00	39981.00	43197.00	19456.00	19034.00	71397.00	65518.00	19299.00	18321.00	13295.00	12968.00	22170.00	22327.00	40304.00	40019.00	35449.00	31505.00	19878.00	17904.00	38589.00	37572.00	23146.00	22407.00
C28 H41 N7 O4	15232.00	17009.00	40838.00	38028.00	94857.00	38839.00	46152.00	70162.00	86925.00	39028.00	23574.00	25976.00	43952.00	41818.00	26709.00	28075.00	20263.00	22143.00	48180.00	43185.00	60204.00	42096.00	21373.00	23420.00	23446.00	22956.00	46825.00	92368.00	75280.00	81354.00	29662.00	91574.00	50869.00	44986.00	29808.00	34898.00	24481.00	27693.00	34551.00	33737.00	34056.00	31749.00	33391.00	27425.00	23472.00	25100.00	25895.00	26451.00	37589.00	37801.00	24032.00	17664.00	55203.00	36865.00
C3 H2 N2 O7 Esi-0.93000025	95230.00	95173.00	45090.00	50759.00	44779.00	49883.00	60197.00	65699.00	70292.00	69612.00	97928.00	86277.00	64048.00	60207.00	87762.00	88872.00	93249.00	76655.00	56789.00	59312.00	69399.00	57119.00	95211.00	94868.00	97410.00	91653.00	68562.00	62236.00	71671.00	73311.00	65530.00	73706.00	64536.00	60788.00	70659.00	78988.00	97517.00	96575.00	84701.00	59561.00	67758.00	71646.00	65912.00	67297.00	93617.00	81711.00	68662.00	67080.00	71437.00	70105.00	91466.00	80862.00	66820.00	64608.00
Deoxycytidine	64341.00	62623.00	54541.00	53880.00	51832.00	50533.00	55263.00	54549.00	49449.00	50043.00	52732.00	53121.00	70707.00	65860.00	53736.00	56066.00	65229.00	65835.00	51157.00	55822.00	61693.00	61784.00	48217.00	50556.00	56843.00	59297.00	56858.00	57783.00	57974.00	55719.00	66677.00	68483.00	54115.00	55138.00	60061.00	60338.00	53362.00	54845.00	64509.00	62544.00	63267.00	62158.00	63552.00	65090.00	67887.00	63362.00	54792.00	56607.00	55742.00	53456.00	57461.00	51588.00	50656.00	51442.00
C24 H43 N8	46983.00	43293.00	58608.00	55614.00	73217.00	57547.00	75024.00	94768.00	74521.00	74190.00	51045.00	53849.00	70969.00	61721.00	46616.00	46590.00	59311.00	55592.00	80665.00	75227.00	91637.00	73446.00	59323.00	51979.00	61077.00	56267.00	85000.00	76201.00	98050.00	100813.00	73002.00	71297.00	78887.00	61589.00	51155.00	69775.00	52431.00	53691.00	83076.00	69798.00	73175.00	61130.00	74377.00	57528.00	52384.00	48284.00	48286.00	50167.00	54890.00	50804.00	58536.00	60349.00	85198.00	72781.00
3,4-Dihydroxymandelonitrile	16409.00	17683.00	26873.00	29195.00	71627.00	69202.00	21565.00	25476.00	13197.00	12879.00	12907.00	14293.00	14223.00	14555.00	30663.00	31851.00	15148.00	13639.00	28566.00	25794.00	30890.00	24961.00	14900.00	14817.00	1.00	1.00	27994.00	27570.00	46976.00	49325.00	27349.00	27375.00	39553.00	39879.00	22156.00	27129.00	14935.00	15807.00	21353.00	20286.00	20100.00	18916.00	22957.00	25569.00	41342.00	40735.00	24171.00	26924.00	16906.00	17963.00	12554.00	14294.00	15114.00	16684.00
L-Ornithine	57351.00	59501.00	58304.00	62485.00	69897.00	66808.00	55279.00	56317.00	73288.00	67356.00	71571.00	70728.00	70269.00	71989.00	53531.00	46829.00	61836.00	66712.00	52272.00	54341.00	65673.00	63980.00	45364.00	44565.00	71515.00	69556.00	68950.00	73309.00	82407.00	89461.00	69951.00	77156.00	74019.00	68425.00	55144.00	56314.00	73824.00	65472.00	64703.00	68063.00	76542.00	73735.00	71639.00	71808.00	74155.00	71344.00	74615.00	72793.00	67728.00	70873.00	68966.00	67478.00	69551.00	70838.00
C33 H70 N3 O3 S	1.00	1.00	12292.00	1.00	14851.00	11432.00	15233.00	44083.00	14788.00	15613.00	1.00	1.00	15289.00	1.00	1.00	1.00	9598.00	1.00	31395.00	14931.00	39077.00	11371.00	1.00	1.00	11663.00	1.00	37270.00	14697.00	73498.00	77859.00	14826.00	37113.00	18450.00	10577.00	1.00	17400.00	1.00	1.00	40435.00	19903.00	17999.00	10672.00	25633.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14934.00	10382.00	65129.00	16019.00
3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole	67227.00	69827.00	13495.00	13655.00	16765.00	16557.00	33616.00	29962.00	53435.00	58058.00	65282.00	69961.00	43845.00	46851.00	53273.00	50421.00	69110.00	71581.00	32040.00	32626.00	41037.00	38193.00	63717.00	63265.00	67916.00	73051.00	36988.00	36262.00	35945.00	33544.00	42585.00	43761.00	27248.00	30830.00	50213.00	49054.00	69834.00	73643.00	40763.00	42792.00	49151.00	45424.00	40352.00	40613.00	68143.00	64228.00	49233.00	48881.00	56209.00	56747.00	74686.00	79433.00	36780.00	41841.00
C22 H31 N S	46139.00	37744.00	52461.00	47243.00	47256.00	45270.00	49344.00	40071.00	42651.00	49781.00	51235.00	49445.00	48379.00	45359.00	50191.00	49180.00	49289.00	49535.00	66958.00	55572.00	63284.00	52219.00	58579.00	45979.00	54179.00	43141.00	62201.00	52533.00	77236.00	57004.00	47418.00	63243.00	52821.00	57507.00	52337.00	53762.00	37423.00	51054.00	72349.00	69770.00	57401.00	58552.00	65281.00	60860.00	41087.00	44149.00	45008.00	40253.00	48716.00	41406.00	53455.00	53562.00	73758.00	53593.00
?-9(10)-EpODE Esi-11.619 :2	286166.00	285395.00	139582.00	124926.00	111312.00	79828.00	121736.00	150655.00	199184.00	220307.00	154859.00	203986.00	168043.00	156104.00	351280.00	320349.00	318126.00	299114.00	314982.00	212038.00	431163.00	255600.00	260330.00	264370.00	416041.00	386502.00	407192.00	245500.00	595683.00	522776.00	380900.00	487216.00	109632.00	95911.00	149654.00	185850.00	279047.00	295494.00	671444.00	590917.00	493140.00	399068.00	650968.00	485952.00	187134.00	189834.00	111754.00	110082.00	186065.00	182051.00	286198.00	261378.00	671402.00	424044.00
C4 H7 N O2 S	69587.00	69992.00	17914.00	18705.00	20034.00	20401.00	28068.00	31861.00	47152.00	46129.00	66008.00	62607.00	42077.00	43203.00	66720.00	67256.00	60421.00	68776.00	33877.00	35654.00	30179.00	30463.00	73290.00	73706.00	72321.00	74067.00	29702.00	28844.00	33204.00	37841.00	43579.00	42299.00	32049.00	32549.00	48079.00	46867.00	72943.00	71490.00	38425.00	37825.00	43275.00	43708.00	37867.00	39860.00	72582.00	73294.00	39729.00	39773.00	47378.00	48351.00	65634.00	63990.00	34987.00	31736.00
DHA (d5)	103642.00	48207.00	63838.00	43736.00	105690.00	45952.00	28638.00	64801.00	28824.00	34074.00	17592.00	20624.00	88346.00	27771.00	45702.00	23700.00	62597.00	96676.00	35631.00	76669.00	39595.00	495327.00	17864.00	75899.00	16847.00	31827.00	47730.00	21217.00	83080.00	71583.00	29616.00	39261.00	74971.00	24419.00	69890.00	31612.00	31428.00	13381.00	47840.00	48213.00	76228.00	56107.00	49801.00	37873.00	105824.00	24009.00	21687.00	47936.00	33580.00	25670.00	37430.00	44001.00	74012.00	197563.00
C29 H49 N3 O12	85291.00	130459.00	45227.00	50394.00	127312.00	131604.00	85764.00	90245.00	48514.00	50521.00	170188.00	143209.00	70977.00	86441.00	214316.00	215426.00	74947.00	74645.00	113439.00	115804.00	81193.00	51789.00	152813.00	150562.00	108541.00	115599.00	71023.00	68007.00	72026.00	77652.00	99653.00	67288.00	84877.00	82381.00	103016.00	103393.00	202421.00	204983.00	81516.00	85671.00	64738.00	64592.00	39152.00	67093.00	329015.00	323777.00	76845.00	80452.00	106981.00	105754.00	183524.00	190335.00	62473.00	91672.00
C30 H47 N14 O3	1.00	1.00	18361.00	11801.00	53604.00	38308.00	23572.00	76524.00	13260.00	21968.00	1.00	1.00	38329.00	23583.00	1.00	1.00	9967.00	9180.00	36017.00	21167.00	23253.00	1.00	1.00	1.00	10262.00	1.00	20724.00	9704.00	56105.00	49508.00	21498.00	50450.00	33362.00	15318.00	20643.00	39035.00	1.00	1.00	22129.00	14895.00	10037.00	1.00	10387.00	1.00	1.00	1.00	1.00	1.00	19798.00	16973.00	22759.00	15343.00	54616.00	17653.00
C30 H51 N3 O24	1.00	1.00	47233.00	44630.00	56230.00	52621.00	58839.00	63293.00	50753.00	55294.00	21209.00	21669.00	49361.00	46851.00	19540.00	18785.00	16972.00	15987.00	66818.00	63579.00	70758.00	52960.00	19665.00	20510.00	20638.00	19738.00	66435.00	56166.00	74776.00	74170.00	41245.00	49958.00	63487.00	53980.00	41979.00	45811.00	15729.00	17494.00	58770.00	53751.00	54210.00	48408.00	50658.00	43248.00	1.00	1.00	44914.00	44216.00	54430.00	49804.00	16312.00	11723.00	70222.00	49084.00
C8 H8 O4 S	32813.00	34242.00	35697.00	40054.00	50529.00	50740.00	47322.00	46923.00	45103.00	42656.00	47109.00	43566.00	31854.00	34496.00	38571.00	37472.00	26652.00	27178.00	53140.00	52641.00	44073.00	46486.00	40473.00	43918.00	53091.00	57895.00	59165.00	59539.00	43938.00	40847.00	56198.00	57659.00	49440.00	49702.00	39780.00	37423.00	46987.00	45854.00	58212.00	52411.00	49768.00	50986.00	33387.00	31112.00	64368.00	64115.00	63806.00	66733.00	61295.00	58625.00	17786.00	17642.00	52858.00	56260.00
C22 H39 N8	34728.00	35087.00	118100.00	80753.00	217069.00	143527.00	1.00	53619.00	1.00	1.00	1.00	1.00	215511.00	126381.00	28602.00	23608.00	19681.00	17958.00	82999.00	46260.00	47649.00	1.00	1.00	1.00	1.00	1.00	50386.00	18535.00	118053.00	134412.00	36817.00	80617.00	21156.00	1.00	1.00	18511.00	23567.00	27041.00	16390.00	1.00	29807.00	15516.00	282720.00	126935.00	21114.00	22123.00	1.00	1.00	1.00	1.00	16927.00	1.00	46206.00	1.00
C3 H3 N4 O5	88980.00	90137.00	115518.00	118592.00	125831.00	134143.00	121315.00	120984.00	107435.00	99718.00	117044.00	111756.00	91456.00	59724.00	89723.00	81885.00	94040.00	92546.00	94099.00	91389.00	96587.00	102186.00	99692.00	98988.00	75085.00	97804.00	107368.00	108832.00	56140.00	74212.00	55688.00	60115.00	109484.00	114283.00	103143.00	103801.00	53677.00	49457.00	63950.00	79755.00	80175.00	86692.00	60800.00	82867.00	95747.00	97566.00	121544.00	118723.00	125586.00	116904.00	91654.00	92565.00	97406.00	101819.00
Pyruvic acid	240010.00	271609.00	28024.00	103520.00	63136.00	96955.00	62191.00	59272.00	29602.00	157455.00	26945.00	227841.00	148396.00	158175.00	211924.00	22235.00	228548.00	263714.00	31962.00	139279.00	43186.00	32978.00	255817.00	64433.00	229256.00	231653.00	127241.00	27601.00	24763.00	132298.00	146898.00	19353.00	53015.00	73921.00	256593.00	185566.00	251759.00	252722.00	138950.00	133845.00	25167.00	143398.00	121731.00	136464.00	272019.00	272705.00	40141.00	64608.00	68248.00	65338.00	30561.00	237533.00	132558.00	133896.00
4-Hydroxyethinylestradiol Esi-10.392005 :1	253764.00	272782.00	256360.00	266525.00	276397.00	270129.00	276922.00	258471.00	284923.00	270272.00	266645.00	272321.00	257665.00	271164.00	264400.00	261925.00	268567.00	265239.00	282815.00	281140.00	269007.00	271368.00	272136.00	269642.00	250414.00	259449.00	267529.00	267239.00	262755.00	272375.00	260731.00	247814.00	260161.00	260894.00	262368.00	258542.00	255294.00	259511.00	260917.00	273251.00	270040.00	262496.00	230597.00	247430.00	170419.00	250034.00	252478.00	245814.00	247489.00	250149.00	252474.00	252098.00	249488.00	255408.00
N-Acetylmannosamine	26423.00	25077.00	59068.00	56303.00	58585.00	54478.00	54062.00	53406.00	42590.00	42632.00	27523.00	30012.00	57363.00	60653.00	31443.00	30899.00	36674.00	37456.00	49034.00	49398.00	58928.00	59088.00	26656.00	27878.00	35236.00	31931.00	64660.00	63771.00	70367.00	68757.00	50512.00	55074.00	58964.00	56199.00	38410.00	41081.00	29810.00	32571.00	44648.00	45095.00	61384.00	61037.00	75100.00	73951.00	38545.00	34623.00	62998.00	62936.00	48180.00	53684.00	40377.00	39998.00	46638.00	44838.00
C15 H30 N9 O2	1.00	1.00	32241.00	166813.00	11657.00	149598.00	26908.00	61952.00	53227.00	36577.00	1.00	1.00	12111.00	30165.00	84547.00	1.00	1.00	1.00	35182.00	60768.00	31314.00	26900.00	170566.00	171875.00	1.00	1.00	17544.00	44925.00	52154.00	61696.00	83060.00	36267.00	22113.00	1.00	166939.00	105607.00	1.00	176107.00	29355.00	153836.00	31882.00	1.00	12717.00	150202.00	1.00	1.00	1.00	1.00	34309.00	1.00	34826.00	60617.00	40982.00	139475.00
3-(3,4-Dihydroxyphenyl)lactate	39483.00	35452.00	23905.00	40226.00	45317.00	42146.00	53585.00	52955.00	43242.00	41401.00	51423.00	51323.00	16406.00	17525.00	57697.00	40295.00	31778.00	49761.00	50718.00	50873.00	31428.00	44487.00	71054.00	67504.00	35544.00	39509.00	67947.00	62072.00	41205.00	34079.00	29658.00	27811.00	48149.00	35246.00	56828.00	43153.00	50390.00	44009.00	48155.00	46805.00	48084.00	39773.00	29611.00	38588.00	30844.00	33970.00	52527.00	55285.00	45156.00	58970.00	56357.00	72330.00	58223.00	44716.00
C6 H Cl O6 S	48342.00	46321.00	19371.00	21548.00	22623.00	1.00	29263.00	28289.00	32983.00	24473.00	44760.00	43690.00	28329.00	29329.00	43169.00	39783.00	44384.00	42372.00	23823.00	24667.00	26475.00	22466.00	48186.00	54088.00	46523.00	44062.00	26915.00	24940.00	25560.00	28753.00	27895.00	31008.00	25848.00	26215.00	28794.00	29714.00	43636.00	48596.00	27275.00	26618.00	31379.00	28599.00	26632.00	22685.00	43707.00	47574.00	27354.00	26342.00	30527.00	21651.00	47255.00	48562.00	26646.00	26939.00
PA(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	1.00	1.00	10955.00	4311.00	24067.00	13316.00	22499.00	70402.00	17895.00	17081.00	1.00	1.00	19516.00	5181.00	1.00	1.00	3219.00	1.00	21474.00	9890.00	27040.00	3323.00	1.00	1.00	3909.00	1.00	21051.00	7371.00	50063.00	50783.00	13258.00	27552.00	26194.00	4859.00	3259.00	18607.00	1.00	1.00	14594.00	6245.00	8131.00	1.00	9734.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12490.00	4432.00	34489.00	11317.00
C3 H2 N O4	96588.00	103688.00	66175.00	61312.00	83716.00	107222.00	57070.00	59542.00	84266.00	68565.00	77334.00	102190.00	63957.00	58831.00	103586.00	95888.00	109499.00	83427.00	80818.00	74034.00	72481.00	86381.00	120626.00	77916.00	107120.00	95683.00	86002.00	88194.00	54610.00	57233.00	77528.00	77239.00	66120.00	68375.00	76191.00	94466.00	98484.00	74784.00	76196.00	104472.00	93464.00	73369.00	75605.00	74275.00	96975.00	84373.00	83073.00	109640.00	77506.00	99429.00	95197.00	95017.00	62171.00	55939.00
C31 H44 N6 O	1.00	1.00	19609.00	1.00	50148.00	29396.00	27288.00	71029.00	1.00	20436.00	1.00	1.00	35464.00	12922.00	1.00	1.00	1.00	1.00	30290.00	1.00	37692.00	1.00	1.00	1.00	1.00	1.00	43910.00	21556.00	71220.00	85222.00	19331.00	48411.00	40294.00	14810.00	1.00	35315.00	1.00	1.00	22456.00	1.00	18167.00	1.00	18321.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	15591.00	1.00	53748.00	14625.00
TCA-ethadyl	55006.00	56798.00	55503.00	51154.00	59764.00	55144.00	60497.00	58591.00	55363.00	51743.00	61231.00	60494.00	57770.00	58513.00	57895.00	62782.00	59286.00	61287.00	57843.00	60460.00	56593.00	58118.00	60900.00	62147.00	60362.00	56606.00	54359.00	58563.00	60117.00	54808.00	57513.00	58977.00	55675.00	56295.00	60333.00	59555.00	56045.00	61668.00	58227.00	59190.00	57314.00	61259.00	59808.00	56227.00	59479.00	59225.00	54988.00	61790.00	56839.00	60228.00	60417.00	61909.00	54295.00	56265.00
C31 H45 N3 O8	1.00	1.00	15384.00	16258.00	38526.00	36993.00	40849.00	41770.00	39550.00	37665.00	15080.00	14755.00	25008.00	23830.00	1.00	1.00	1.00	1.00	63447.00	61143.00	45128.00	41928.00	13683.00	12556.00	1.00	1.00	38102.00	33222.00	45493.00	44194.00	20843.00	22199.00	44137.00	43598.00	30842.00	29645.00	1.00	1.00	50479.00	50101.00	35373.00	31624.00	24322.00	23194.00	1.00	1.00	33440.00	35045.00	44123.00	40556.00	1.00	1.00	42585.00	36391.00
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol Esi-8.812995	73902.00	63918.00	76342.00	71047.00	71549.00	73516.00	69200.00	52774.00	72870.00	62799.00	79377.00	85842.00	75925.00	68281.00	70395.00	54629.00	66648.00	61104.00	73252.00	74241.00	51567.00	82286.00	87081.00	76440.00	73384.00	55112.00	81523.00	69200.00	70820.00	65032.00	54898.00	74260.00	82101.00	74591.00	76322.00	72929.00	80864.00	80888.00	73187.00	58044.00	77784.00	74878.00	55471.00	70818.00	75034.00	75232.00	69091.00	72527.00	79408.00	87256.00	71769.00	71409.00	76072.00	76410.00
N6,N6-Dimethyladenosine	13290.00	14283.00	47104.00	46554.00	53648.00	57431.00	55029.00	46733.00	40079.00	41042.00	27031.00	28100.00	40559.00	40404.00	10143.00	1.00	14808.00	14947.00	41345.00	43568.00	52115.00	52236.00	1.00	1.00	18134.00	18786.00	55625.00	55680.00	53367.00	50187.00	39844.00	36847.00	60827.00	64474.00	34352.00	35977.00	16946.00	16073.00	41329.00	43323.00	43745.00	41499.00	39944.00	39446.00	15212.00	12275.00	49742.00	46429.00	44228.00	45943.00	20557.00	19919.00	50104.00	49027.00
C14 H6 N2 O16 S2	68940.00	68745.00	32346.00	34467.00	38296.00	39773.00	39691.00	40279.00	40215.00	43098.00	59805.00	58811.00	41893.00	40858.00	62679.00	63326.00	58714.00	61378.00	38265.00	39317.00	39130.00	40767.00	62903.00	67109.00	61366.00	63833.00	39594.00	38115.00	36524.00	34232.00	37000.00	43120.00	39767.00	38244.00	45337.00	49165.00	60317.00	55910.00	36198.00	43710.00	42746.00	44991.00	38585.00	36581.00	56846.00	61853.00	42464.00	42746.00	45741.00	46285.00	64423.00	57772.00	38284.00	41268.00
C32 H49 N10 O21	1.00	1.00	55227.00	29983.00	61989.00	41067.00	54928.00	61427.00	32751.00	45463.00	1.00	1.00	61321.00	24176.00	1.00	1.00	18472.00	12679.00	64634.00	40837.00	68520.00	20024.00	1.00	12563.00	22956.00	17231.00	62814.00	37759.00	67067.00	61035.00	27703.00	52658.00	66064.00	22438.00	17462.00	51755.00	1.00	1.00	49199.00	31245.00	35232.00	16451.00	44691.00	13003.00	1.00	1.00	1.00	1.00	21707.00	13263.00	35316.00	19168.00	62571.00	28472.00
L-Ribulose	144893.00	138701.00	169401.00	160849.00	180554.00	183887.00	169060.00	171449.00	138457.00	147133.00	137282.00	141905.00	146743.00	111725.00	114697.00	92028.00	143901.00	140366.00	202917.00	203669.00	193791.00	180408.00	123937.00	125426.00	143108.00	163324.00	187549.00	182696.00	176360.00	171171.00	159805.00	118925.00	157811.00	158538.00	128435.00	163051.00	115136.00	117034.00	163257.00	170006.00	162531.00	125069.00	128451.00	176145.00	114214.00	118779.00	190224.00	189983.00	164281.00	137963.00	166756.00	171480.00	194885.00	185660.00
4-(2-hydroxypropoxy)-3,5-dimethyl-Phenol	88294.00	79138.00	87275.00	85096.00	78817.00	89428.00	104229.00	85468.00	26050.00	57141.00	67248.00	83658.00	58590.00	43704.00	139200.00	107473.00	132472.00	180408.00	41739.00	67606.00	73501.00	122881.00	75414.00	70161.00	166971.00	159466.00	90749.00	73389.00	139781.00	64488.00	194568.00	157609.00	74857.00	55857.00	110214.00	98955.00	98376.00	110857.00	97772.00	73583.00	74596.00	114796.00	97962.00	79929.00	123128.00	212098.00	117714.00	56628.00	65846.00	52486.00	121469.00	86657.00	37776.00	57349.00
Promacyl	61225.00	65041.00	65622.00	65873.00	65783.00	70688.00	71288.00	65562.00	65823.00	67258.00	68333.00	64681.00	62090.00	64942.00	67246.00	62617.00	63853.00	62172.00	65313.00	64878.00	60198.00	64966.00	60798.00	62662.00	65118.00	69671.00	62563.00	64886.00	62678.00	68095.00	68262.00	66219.00	64500.00	64039.00	62592.00	71535.00	62037.00	59931.00	67089.00	67549.00	66433.00	59768.00	60850.00	65079.00	63478.00	64965.00	62373.00	64880.00	62118.00	59602.00	63792.00	65795.00	65897.00	65108.00
C21 H43 N22 O3	1.00	1.00	39981.00	25804.00	37271.00	24009.00	30827.00	114915.00	26674.00	35275.00	1.00	1.00	45662.00	21257.00	1.00	1.00	34286.00	22894.00	41940.00	20948.00	73516.00	17389.00	1.00	1.00	24645.00	20978.00	75664.00	33907.00	126096.00	136433.00	29822.00	73254.00	43244.00	17469.00	12935.00	32098.00	1.00	1.00	45930.00	25518.00	27303.00	14256.00	47636.00	15367.00	1.00	1.00	11808.00	1.00	1.00	1.00	27260.00	17015.00	64514.00	1.00
Gly-His-OH	67470.00	67544.00	1.00	1.00	1.00	1.00	15898.00	17160.00	40193.00	37481.00	58664.00	61709.00	28464.00	29280.00	44608.00	44537.00	62043.00	61531.00	14933.00	16329.00	23533.00	22938.00	65727.00	58745.00	64717.00	66497.00	19666.00	18830.00	20599.00	21584.00	26856.00	28514.00	16549.00	14125.00	33194.00	32043.00	60613.00	59964.00	28314.00	24880.00	29035.00	30426.00	25438.00	25669.00	58397.00	61743.00	32669.00	35077.00	44257.00	40997.00	66703.00	72701.00	22644.00	23010.00
C16 H30 N4 O12	59357.00	58123.00	1.00	1.00	1.00	1.00	1.00	1.00	32617.00	32297.00	43120.00	43253.00	1.00	1.00	66718.00	68034.00	62458.00	62620.00	34394.00	30146.00	55308.00	42050.00	61131.00	59877.00	80430.00	76176.00	55408.00	44568.00	77649.00	74652.00	51455.00	57047.00	1.00	1.00	19126.00	1.00	54378.00	55360.00	100696.00	89652.00	89652.00	80767.00	104497.00	88136.00	29911.00	31342.00	1.00	1.00	23526.00	21829.00	43287.00	41666.00	75352.00	60497.00
C41 H65 N2 O9 S	1.00	1.00	12080.00	6787.00	42147.00	25444.00	21055.00	78132.00	8430.00	16012.00	1.00	1.00	27188.00	9171.00	1.00	1.00	3363.00	1.00	25103.00	11097.00	25149.00	1.00	1.00	1.00	4224.00	1.00	25987.00	8453.00	57490.00	61240.00	13760.00	42710.00	27821.00	7534.00	7749.00	32776.00	1.00	1.00	17848.00	8542.00	7445.00	1.00	9635.00	1.00	1.00	1.00	1.00	1.00	6704.00	1.00	14749.00	6769.00	46518.00	11118.00
2(R)-HPOT Esi-10.429995	44488.00	43932.00	1.00	1.00	1.00	1.00	1.00	24717.00	1.00	27746.00	25040.00	49995.00	1.00	1.00	34949.00	65229.00	37254.00	44744.00	48150.00	45085.00	62602.00	38215.00	32214.00	59604.00	40282.00	54878.00	43170.00	38625.00	63802.00	80298.00	58654.00	56259.00	1.00	1.00	1.00	38848.00	33557.00	61155.00	70374.00	68595.00	51261.00	49996.00	66669.00	66216.00	45016.00	33710.00	1.00	1.00	1.00	35112.00	51789.00	57723.00	67701.00	54969.00
Methylarsonate	55632.00	56184.00	42125.00	45321.00	32197.00	32427.00	39959.00	40272.00	51493.00	48409.00	50823.00	51516.00	24412.00	23155.00	71353.00	69069.00	27473.00	26402.00	35264.00	38903.00	15549.00	15780.00	60339.00	65864.00	37080.00	36017.00	38188.00	36122.00	37006.00	32543.00	58119.00	57957.00	22038.00	24062.00	40637.00	44093.00	53743.00	57836.00	64388.00	63925.00	41898.00	37435.00	64559.00	66175.00	52719.00	52851.00	33162.00	33395.00	36959.00	36954.00	53877.00	57401.00	50841.00	47306.00
1-(10-methyl-hexadecanoyl-2-(8-[3]-ladderane-octanyl)-sn-glycerol	1.00	1.00	11381.00	1.00	15271.00	1.00	13457.00	70362.00	12399.00	12743.00	1.00	1.00	13139.00	1.00	1.00	1.00	1.00	1.00	25392.00	11830.00	28507.00	1.00	1.00	1.00	1.00	1.00	23414.00	11166.00	60536.00	69366.00	1.00	23506.00	15659.00	1.00	1.00	14443.00	1.00	1.00	22588.00	14762.00	11200.00	1.00	13123.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	34967.00	1.00
C44 H79 N6 O6 S2	1.00	1.00	60244.00	45983.00	11629.00	128670.00	106623.00	98906.00	80198.00	77024.00	1.00	1.00	109473.00	54749.00	1.00	1.00	1.00	1.00	49543.00	67661.00	92754.00	1.00	1.00	1.00	1.00	1.00	93412.00	41509.00	21629.00	190787.00	77363.00	155881.00	140977.00	53563.00	38179.00	104218.00	1.00	1.00	92577.00	52676.00	36843.00	1.00	34123.00	1.00	1.00	1.00	1.00	1.00	65640.00	43439.00	63338.00	1.00	233657.00	66149.00
Mono-N-depropylprobenecid	41682.00	44291.00	31685.00	40703.00	33394.00	28229.00	60189.00	51423.00	31402.00	32716.00	35978.00	38087.00	57870.00	58511.00	47652.00	45723.00	39319.00	43926.00	49223.00	48966.00	48891.00	45375.00	42614.00	42344.00	34517.00	33752.00	45447.00	46030.00	35103.00	32579.00	32161.00	29488.00	19613.00	18782.00	37748.00	35486.00	27139.00	31565.00	47317.00	50254.00	47714.00	45145.00	46687.00	46325.00	36317.00	30928.00	52177.00	56647.00	52570.00	50963.00	46119.00	44676.00	25958.00	26737.00
Erythromycin D Esi-12.593997	1.00	1.00	77028.00	49642.00	205182.00	156537.00	109127.00	431013.00	110811.00	147037.00	28040.00	36321.00	170537.00	74687.00	1.00	1.00	47291.00	42534.00	185233.00	103505.00	163597.00	52432.00	27310.00	29178.00	59120.00	50372.00	161900.00	63771.00	338585.00	444433.00	87432.00	252636.00	215634.00	69596.00	60081.00	159988.00	1.00	26850.00	131768.00	74084.00	70573.00	24727.00	73244.00	28244.00	1.00	1.00	22812.00	28416.00	56091.00	38670.00	107650.00	65361.00	323943.00	117236.00
C3 H4 N2 O5 S Esi-0.9589997 :1	90217.00	177123.00	149698.00	116985.00	98856.00	118839.00	131810.00	114094.00	109818.00	93424.00	121584.00	114550.00	109802.00	116063.00	159384.00	127676.00	119764.00	111843.00	93823.00	114892.00	147350.00	129976.00	94439.00	105863.00	163444.00	98672.00	98978.00	96426.00	98466.00	118492.00	118129.00	121083.00	153542.00	119242.00	105147.00	103486.00	160699.00	111142.00	116989.00	98914.00	120668.00	109778.00	122521.00	101398.00	157036.00	82662.00	119237.00	106405.00	91027.00	110023.00	121995.00	142948.00	136115.00	96017.00
Methyl jasmonate	37084.00	48700.00	99664.00	77087.00	58181.00	43549.00	1.00	76549.00	31597.00	51353.00	24611.00	34638.00	59008.00	70171.00	44805.00	69243.00	55132.00	95720.00	49917.00	29565.00	129871.00	39702.00	46819.00	39363.00	94705.00	51958.00	54895.00	88788.00	111338.00	47816.00	84610.00	97155.00	69861.00	53615.00	64909.00	36646.00	29426.00	56404.00	72603.00	69342.00	60504.00	68925.00	91394.00	63398.00	56419.00	48929.00	69587.00	57581.00	31209.00	25447.00	83060.00	62479.00	97425.00	75220.00
Iridotrial glucoside	190804.00	197670.00	245310.00	251652.00	292533.00	293555.00	243946.00	241235.00	252833.00	246722.00	319432.00	285321.00	281155.00	304956.00	269115.00	274274.00	312754.00	305966.00	262560.00	267172.00	238439.00	252404.00	262565.00	263586.00	290543.00	290152.00	381350.00	388653.00	286099.00	279190.00	236601.00	228326.00	385437.00	390683.00	318994.00	324916.00	332808.00	321475.00	248243.00	236997.00	209483.00	214173.00	334941.00	336357.00	825046.00	828316.00	288585.00	281646.00	286837.00	284397.00	306051.00	320277.00	238712.00	241960.00
Thyrotropin releasing hormone Esi-10.057005	48450.00	49739.00	50879.00	52456.00	58558.00	50420.00	48870.00	48621.00	57131.00	53183.00	49005.00	52989.00	48304.00	49466.00	51364.00	51481.00	54867.00	55710.00	50647.00	48492.00	58975.00	59823.00	60574.00	54578.00	56462.00	55897.00	54920.00	60007.00	50110.00	53663.00	60482.00	66312.00	52339.00	53082.00	54071.00	58437.00	64414.00	54770.00	59177.00	61951.00	60663.00	62398.00	62693.00	53933.00	58225.00	59546.00	61572.00	56806.00	53707.00	54994.00	60660.00	59095.00	58769.00	52886.00
L-Leucine Esi-1.8929994	148448.00	143832.00	148538.00	156943.00	191922.00	180392.00	177195.00	176314.00	239112.00	234498.00	267752.00	260275.00	156386.00	148483.00	177413.00	174686.00	199500.00	191858.00	187549.00	191061.00	177548.00	189421.00	203658.00	204765.00	192642.00	198474.00	231968.00	242156.00	166772.00	177118.00	186119.00	189914.00	175238.00	185959.00	198303.00	209535.00	206907.00	210947.00	264263.00	255953.00	171539.00	189933.00	194302.00	190267.00	186876.00	196368.00	259244.00	252779.00	239822.00	245498.00	282342.00	269383.00	260791.00	256016.00
C33 H61 N7 O13	1.00	1.00	22079.00	17204.00	86745.00	48295.00	41906.00	143127.00	57184.00	81122.00	1.00	1.00	47922.00	23411.00	1.00	1.00	19909.00	14323.00	48902.00	35413.00	67587.00	1.00	1.00	1.00	1.00	16615.00	72645.00	28497.00	230692.00	168402.00	36153.00	109571.00	79061.00	19423.00	1.00	61479.00	1.00	1.00	37676.00	27385.00	31952.00	1.00	54385.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	41769.00	26056.00	146755.00	37090.00
C16 H4 O20 S2	67104.00	65556.00	37889.00	37692.00	42616.00	40963.00	43660.00	44675.00	43749.00	44107.00	57498.00	56219.00	46520.00	46033.00	59557.00	58129.00	59816.00	61897.00	39850.00	42768.00	45977.00	45374.00	60463.00	63200.00	58865.00	61529.00	39591.00	39061.00	38663.00	40285.00	40165.00	42456.00	39140.00	42691.00	49403.00	51555.00	58634.00	58467.00	37754.00	39898.00	43182.00	46422.00	40182.00	38714.00	55971.00	56114.00	42028.00	41254.00	47680.00	46858.00	58641.00	55523.00	39192.00	39893.00
[6]-Shogaol	58476.00	53793.00	57784.00	58706.00	55350.00	57396.00	55261.00	40330.00	63624.00	52935.00	52596.00	53680.00	51961.00	52468.00	55327.00	56877.00	50127.00	53959.00	52514.00	53443.00	44595.00	53634.00	50027.00	51453.00	54660.00	51938.00	51934.00	52606.00	44039.00	45343.00	56995.00	49919.00	54082.00	50355.00	52182.00	56860.00	51365.00	54689.00	50918.00	49870.00	52759.00	48439.00	49587.00	49542.00	54138.00	48908.00	52767.00	60952.00	55888.00	51636.00	53134.00	52946.00	43825.00	53718.00
Aminomuconic acid	49638.00	53593.00	71877.00	81734.00	64800.00	69273.00	69507.00	68679.00	71533.00	72078.00	67286.00	68044.00	55195.00	60960.00	33952.00	34986.00	79472.00	80710.00	47218.00	47296.00	59779.00	57192.00	39702.00	40721.00	67264.00	56810.00	67188.00	68026.00	54886.00	59546.00	61422.00	65926.00	75847.00	69712.00	76041.00	74859.00	43374.00	45344.00	53632.00	49508.00	55081.00	50292.00	55636.00	48383.00	67683.00	65344.00	77709.00	75072.00	73781.00	78751.00	61983.00	54000.00	59512.00	55239.00
N-Desmethyltolmetin	1.00	1.00	13744.00	15723.00	62222.00	59556.00	1.00	1.00	60126.00	60315.00	7511.00	8237.00	14692.00	14670.00	14554.00	14020.00	19697.00	19035.00	7580.00	6501.00	15411.00	11761.00	9769.00	9792.00	10662.00	9534.00	7450.00	7971.00	5616.00	5677.00	8522.00	9762.00	8401.00	8269.00	1.00	1.00	3154.00	3354.00	5198.00	4439.00	6155.00	5049.00	8033.00	8796.00	5294.00	4716.00	1.00	1.00	1.00	1.00	1.00	3850.00	1.00	1.00
C20 H34 N7	1.00	1.00	16312.00	5913.00	25098.00	12461.00	16345.00	59959.00	3827.00	8450.00	1.00	1.00	18951.00	6425.00	1.00	1.00	1.00	1.00	18302.00	8843.00	27264.00	4364.00	1.00	1.00	1.00	1.00	20365.00	7212.00	46548.00	52982.00	8940.00	28587.00	17198.00	3662.00	4453.00	20279.00	1.00	1.00	15606.00	7749.00	5046.00	1.00	11883.00	1.00	1.00	1.00	1.00	1.00	4329.00	1.00	6719.00	1.00	31478.00	7488.00
C27 H41 N22	1.00	1.00	22114.00	15075.00	40735.00	29612.00	23282.00	83667.00	14107.00	24753.00	1.00	1.00	30540.00	15862.00	1.00	1.00	1.00	1.00	35965.00	19346.00	34606.00	1.00	1.00	1.00	1.00	1.00	34658.00	1.00	65430.00	70445.00	18809.00	48732.00	35615.00	13263.00	13349.00	32464.00	1.00	1.00	22457.00	14175.00	1.00	1.00	17038.00	1.00	1.00	1.00	1.00	1.00	14784.00	11061.00	19043.00	11327.00	53126.00	16030.00
C10 H4 N O3 S4	64781.00	64526.00	11666.00	12735.00	14445.00	15687.00	18308.00	19450.00	30284.00	30471.00	60022.00	61797.00	24260.00	24632.00	60263.00	61173.00	54850.00	58520.00	22900.00	21140.00	22740.00	22602.00	66044.00	65339.00	63270.00	61104.00	19924.00	20749.00	22898.00	19952.00	27475.00	30369.00	19333.00	20058.00	28897.00	28760.00	52278.00	54717.00	26360.00	26068.00	28302.00	28031.00	24417.00	24955.00	57475.00	60526.00	26962.00	29447.00	28098.00	26828.00	55178.00	54229.00	21324.00	22923.00
C3 H4 O2 Esi-6.933998	48657.00	43602.00	51709.00	48735.00	52634.00	38950.00	44534.00	42047.00	40353.00	38846.00	39402.00	43485.00	53235.00	49603.00	54857.00	51109.00	63666.00	65074.00	42380.00	40723.00	54219.00	58130.00	57925.00	46400.00	86246.00	90715.00	57146.00	57008.00	43067.00	49699.00	67620.00	63473.00	50495.00	42547.00	49161.00	51068.00	48646.00	45178.00	61127.00	45605.00	50802.00	56639.00	58176.00	62539.00	50418.00	47540.00	57676.00	47804.00	40427.00	48222.00	56519.00	60150.00	42439.00	45857.00
C14 H4 N3 O11 S2 Esi-0.8400001	139931.00	136527.00	70326.00	71679.00	79263.00	78525.00	84836.00	75882.00	88026.00	85218.00	124226.00	114046.00	88352.00	92926.00	124353.00	128742.00	124111.00	131976.00	82851.00	85124.00	87857.00	91091.00	142377.00	144864.00	131590.00	134199.00	85846.00	82208.00	75267.00	81857.00	88154.00	92219.00	93877.00	93038.00	101685.00	104399.00	127464.00	125837.00	88663.00	89571.00	96391.00	90148.00	86572.00	80649.00	128577.00	127053.00	92461.00	91568.00	100147.00	102132.00	131881.00	131145.00	84754.00	78972.00
C8 H Cl N3 O2 S3	60417.00	61358.00	47003.00	47509.00	51536.00	51556.00	49012.00	52479.00	47134.00	49517.00	58853.00	55286.00	54277.00	50784.00	55682.00	59148.00	53990.00	55961.00	50539.00	49151.00	52150.00	51136.00	57932.00	59386.00	60259.00	55800.00	49478.00	50322.00	47967.00	46979.00	47650.00	48393.00	49875.00	49303.00	54615.00	55167.00	55450.00	56851.00	49564.00	49762.00	54508.00	51301.00	49874.00	48112.00	53550.00	58043.00	49066.00	49213.00	53630.00	50076.00	57211.00	55182.00	48919.00	49953.00
C43 H77 N6 O11	1.00	1.00	95835.00	60219.00	264369.00	174915.00	155210.00	518633.00	65524.00	110322.00	1.00	1.00	170048.00	79501.00	1.00	1.00	30406.00	1.00	249293.00	135057.00	172547.00	36749.00	1.00	1.00	37686.00	1.00	178714.00	61841.00	288964.00	289865.00	73981.00	195384.00	238189.00	80321.00	60759.00	142762.00	1.00	1.00	139635.00	85595.00	63633.00	1.00	80608.00	1.00	1.00	1.00	31634.00	31555.00	86207.00	65015.00	49049.00	29587.00	323427.00	95138.00
C6 H4 N2 O3 S	168494.00	159973.00	164557.00	146604.00	169852.00	169362.00	159168.00	148886.00	148231.00	157522.00	175913.00	149474.00	153473.00	152524.00	85140.00	161491.00	149748.00	154852.00	154532.00	160907.00	152513.00	154493.00	147375.00	153843.00	140767.00	148119.00	147771.00	146778.00	142525.00	154276.00	150834.00	152037.00	157786.00	146969.00	145086.00	151858.00	143563.00	136847.00	169740.00	156644.00	150461.00	164526.00	161003.00	152022.00	158476.00	151328.00	144104.00	140931.00	146079.00	132879.00	143258.00	149654.00	151632.00	145143.00
Actinonin	54856.00	50250.00	53865.00	48755.00	53798.00	52876.00	50812.00	49944.00	58961.00	57982.00	53366.00	48077.00	48730.00	47271.00	52987.00	50360.00	51528.00	51814.00	49822.00	52310.00	53121.00	49896.00	49045.00	46159.00	47173.00	49112.00	46109.00	50946.00	48567.00	49880.00	47528.00	48040.00	48771.00	48202.00	61172.00	63746.00	50793.00	51432.00	48300.00	50462.00	54070.00	53575.00	52383.00	49191.00	52200.00	51070.00	53221.00	50682.00	47663.00	53126.00	56943.00	56135.00	51207.00	49731.00
PE(20:0/0:0) Esi-11.605001	1.00	1.00	20499.00	12745.00	24805.00	17744.00	22711.00	68839.00	14121.00	17427.00	1.00	1.00	22133.00	11092.00	1.00	1.00	1.00	1.00	26175.00	15388.00	35867.00	10147.00	1.00	1.00	1.00	1.00	36801.00	16052.00	64932.00	71363.00	12130.00	30113.00	27388.00	10780.00	1.00	18665.00	1.00	1.00	21307.00	12366.00	13295.00	1.00	15178.00	1.00	1.00	1.00	1.00	1.00	11556.00	1.00	1.00	1.00	42601.00	13500.00
C34 H60 N16 O2	58522.00	56598.00	56348.00	54358.00	54109.00	53554.00	56196.00	55080.00	56995.00	53635.00	55772.00	50237.00	49478.00	55563.00	53041.00	52889.00	53602.00	52867.00	49676.00	50983.00	53414.00	51003.00	54152.00	51261.00	49334.00	51873.00	49512.00	53154.00	51841.00	50099.00	53591.00	51128.00	53657.00	53008.00	54641.00	54303.00	52584.00	52414.00	55128.00	56141.00	66706.00	65347.00	56903.00	53561.00	54557.00	52187.00	52664.00	52330.00	52122.00	52699.00	55402.00	53512.00	53261.00	55743.00
C8 H10 O4 S Esi-5.9769983	1449672.00	1481390.00	1434680.00	1458398.00	1634643.00	1614592.00	1748780.00	1783096.00	1660252.00	1613861.00	1558642.00	1488342.00	1220239.00	1321072.00	1425600.00	1446876.00	1101124.00	1075207.00	1660460.00	1688003.00	1653440.00	1626906.00	1400957.00	1380071.00	1485926.00	1540684.00	1803930.00	1734974.00	1475897.00	1452896.00	1772868.00	1800908.00	1674269.00	1641984.00	1396833.00	1418753.00	1587292.00	1622907.00	1434005.00	1493973.00	1757193.00	1622228.00	992367.00	959362.00	2036632.00	1977045.00	1791106.00	1746973.00	1660071.00	1684522.00	590972.00	626790.00	1689860.00	1671508.00
C9 H Cl3 N2 O8 S5	50830.00	50426.00	40729.00	44289.00	42943.00	41609.00	50184.00	45896.00	41403.00	38878.00	54662.00	49682.00	44692.00	45642.00	57709.00	52503.00	53664.00	55227.00	44937.00	43686.00	46983.00	46099.00	50281.00	55211.00	52914.00	50925.00	42060.00	43065.00	41391.00	44579.00	41682.00	45783.00	47034.00	41694.00	49162.00	48806.00	48819.00	49304.00	47573.00	42016.00	50006.00	47921.00	45699.00	43691.00	52845.00	50949.00	44029.00	46532.00	47235.00	48945.00	50929.00	52261.00	44245.00	41273.00
3,5-Dinitroguaiacol	210153.00	176905.00	116827.00	248529.00	174537.00	206580.00	467477.00	160598.00	150307.00	215684.00	455201.00	138466.00	160477.00	119753.00	172269.00	118142.00	60700.00	87983.00	140063.00	181321.00	162950.00	479309.00	215955.00	166161.00	167722.00	196490.00	217431.00	179447.00	70280.00	146250.00	149220.00	173043.00	53923.00	193152.00	79851.00	129837.00	151418.00	201465.00	181900.00	150732.00	149803.00	224735.00	492953.00	77542.00	174522.00	272029.00	175039.00	178968.00	144338.00	67852.00	149725.00	235404.00	163628.00	177627.00
Obliquine	52303.00	50559.00	1.00	1.00	1.00	1.00	1.00	1.00	28708.00	30553.00	39452.00	35980.00	1.00	1.00	59782.00	59340.00	49672.00	52307.00	31740.00	28215.00	48361.00	36404.00	51285.00	52171.00	69140.00	67086.00	53082.00	41089.00	68315.00	68022.00	45829.00	49725.00	1.00	1.00	1.00	1.00	48966.00	47210.00	85240.00	84342.00	77280.00	67515.00	90995.00	77652.00	32031.00	27965.00	1.00	1.00	22764.00	21006.00	39018.00	36226.00	70430.00	51536.00
9,12-dioxo-dodecanoic acid Esi-6.934998	122353.00	157951.00	231870.00	214525.00	183090.00	178346.00	177361.00	214796.00	170846.00	163151.00	94206.00	138338.00	210574.00	202284.00	203185.00	210349.00	267584.00	273113.00	145519.00	147124.00	229288.00	224213.00	160194.00	167856.00	293250.00	296518.00	215846.00	192725.00	154320.00	170970.00	218587.00	143522.00	162818.00	184766.00	191882.00	204412.00	151692.00	153913.00	203099.00	201645.00	191825.00	192860.00	197206.00	159886.00	197521.00	191591.00	167617.00	184566.00	153526.00	135435.00	212087.00	205626.00	144624.00	176497.00
C34 H53 N13 O3	1.00	1.00	30195.00	24089.00	76765.00	1.00	89897.00	80621.00	64358.00	93628.00	1.00	1.00	103414.00	25693.00	1.00	1.00	1.00	1.00	58418.00	15673.00	22458.00	1.00	1.00	1.00	1.00	1.00	65968.00	46208.00	91432.00	86964.00	49964.00	131087.00	1.00	1.00	28987.00	37923.00	1.00	1.00	17239.00	13607.00	54062.00	1.00	70764.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14150.00	1.00	40769.00	48032.00
C8 H N2	865717.00	864825.00	494482.00	492641.00	382932.00	380415.00	382313.00	373861.00	602438.00	602547.00	617640.00	630447.00	485434.00	480521.00	787315.00	775210.00	633040.00	631400.00	543007.00	558158.00	611362.00	627355.00	995023.00	1009631.00	701253.00	693847.00	528878.00	555859.00	609408.00	608520.00	690309.00	699911.00	544681.00	539578.00	479034.00	479586.00	856675.00	850524.00	632749.00	620554.00	488065.00	506886.00	523215.00	526899.00	747426.00	749175.00	823659.00	822885.00	585688.00	590876.00	749580.00	721232.00	573054.00	561321.00
C31 H44 N9 O9	1.00	1.00	11769.00	1.00	26438.00	15677.00	17909.00	64729.00	1.00	14293.00	1.00	1.00	19363.00	1.00	1.00	1.00	1.00	1.00	21084.00	11680.00	18332.00	1.00	1.00	1.00	1.00	1.00	22503.00	1.00	37889.00	41499.00	10955.00	27125.00	20051.00	1.00	1.00	19175.00	1.00	1.00	14834.00	1.00	1.00	1.00	10385.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11754.00	1.00	41208.00	1.00
C45 H87 N O	55857.00	62724.00	45243.00	44730.00	51085.00	46589.00	51609.00	49677.00	43557.00	46877.00	60047.00	54650.00	52553.00	55172.00	63496.00	59252.00	57903.00	64047.00	47645.00	47356.00	50783.00	49590.00	61487.00	58897.00	56179.00	62319.00	51545.00	48894.00	48959.00	48873.00	48638.00	50156.00	53018.00	48921.00	58044.00	55911.00	58382.00	59678.00	49716.00	49704.00	54697.00	53240.00	51704.00	49066.00	58291.00	55709.00	50962.00	48587.00	53799.00	50499.00	63026.00	62633.00	46532.00	46116.00
PS(20:1(11Z)/0:0) Esi-9.027005	53118.00	52215.00	26660.00	324485.00	32964.00	32963.00	35480.00	41719.00	34261.00	36543.00	68756.00	69991.00	31287.00	34661.00	83889.00	78440.00	52489.00	51219.00	35902.00	36867.00	53695.00	54351.00	75134.00	70899.00	99676.00	98303.00	42775.00	40618.00	49087.00	45506.00	50456.00	50490.00	35233.00	32065.00	37019.00	42862.00	67151.00	66162.00	49861.00	50637.00	47028.00	43182.00	43477.00	41102.00	75181.00	75241.00	42136.00	40774.00	35246.00	35705.00	83452.00	81446.00	48039.00	44749.00
C35 H17 N8 O27	60134.00	57967.00	34475.00	48731.00	54478.00	45056.00	40523.00	50976.00	78086.00	49840.00	64663.00	60147.00	107643.00	25005.00	47974.00	37421.00	48927.00	37276.00	25194.00	55376.00	36482.00	1.00	23465.00	1.00	71169.00	84801.00	35237.00	23748.00	62239.00	43242.00	20958.00	28371.00	30210.00	1.00	25768.00	32087.00	1.00	31821.00	74670.00	27474.00	38694.00	46078.00	37076.00	42487.00	1.00	30744.00	31266.00	25761.00	1.00	79038.00	59755.00	25123.00	26344.00	30595.00
Isosakuranetin 5-O-glucoside	41962.00	43449.00	44137.00	42975.00	44381.00	47114.00	43843.00	41915.00	41998.00	42993.00	44542.00	43966.00	36202.00	41572.00	43897.00	48038.00	42687.00	42329.00	44902.00	44917.00	40232.00	43273.00	43465.00	44542.00	46715.00	50013.00	48341.00	47744.00	47586.00	46152.00	47535.00	44837.00	52954.00	50841.00	50750.00	50841.00	52505.00	51903.00	54333.00	54900.00	50644.00	53353.00	56458.00	54229.00	57191.00	53583.00	56498.00	53540.00	54673.00	52873.00	52769.00	51479.00	54694.00	53990.00
C42 H89 N6	53303.00	54043.00	33881.00	34590.00	36982.00	37231.00	38839.00	39949.00	39368.00	39083.00	50349.00	52498.00	40737.00	41955.00	54047.00	53624.00	53629.00	54658.00	35911.00	38435.00	39588.00	42608.00	56528.00	52978.00	52138.00	53359.00	39784.00	40419.00	39142.00	35195.00	39453.00	40064.00	42592.00	39711.00	43213.00	43689.00	47836.00	48242.00	38527.00	38897.00	40547.00	40705.00	36470.00	38602.00	51329.00	52094.00	40213.00	38725.00	43364.00	40666.00	48287.00	53144.00	39169.00	37235.00
C30 H49 N5 O14	1.00	1.00	22884.00	19210.00	29174.00	21402.00	28056.00	64029.00	19433.00	23372.00	1.00	1.00	26528.00	17685.00	1.00	1.00	1.00	1.00	31694.00	21724.00	45668.00	15994.00	1.00	1.00	1.00	1.00	40067.00	21608.00	64257.00	63297.00	14812.00	30182.00	30288.00	16346.00	13217.00	19555.00	1.00	1.00	24831.00	18399.00	20408.00	1.00	21823.00	1.00	1.00	1.00	1.00	1.00	16055.00	14377.00	1.00	1.00	44972.00	17857.00
C43 H51 N3 O23	1.00	4545.00	49485.00	27135.00	53400.00	38598.00	49841.00	44978.00	29409.00	41616.00	1.00	8213.00	50841.00	22869.00	5362.00	1.00	18126.00	11959.00	55262.00	40075.00	54594.00	18916.00	10669.00	11291.00	21560.00	17204.00	55107.00	35569.00	49511.00	42714.00	22322.00	50896.00	52951.00	22695.00	15513.00	45081.00	3588.00	10994.00	43227.00	31310.00	32132.00	15818.00	43735.00	14788.00	1.00	1.00	8042.00	9177.00	20677.00	11723.00	31923.00	19028.00	53419.00	27411.00
C23 H44 N22 O6	1.00	1.00	12110.00	1.00	16344.00	10786.00	14599.00	65576.00	10321.00	13392.00	1.00	1.00	16223.00	1.00	1.00	1.00	1.00	1.00	19103.00	11637.00	27012.00	1.00	1.00	1.00	1.00	1.00	28287.00	11845.00	51776.00	53485.00	1.00	22999.00	18200.00	1.00	1.00	11528.00	1.00	1.00	14714.00	10672.00	11164.00	1.00	10642.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	37781.00	1.00
3-hydroxy-3-methyl-Glutaric acid	301451.00	311279.00	381160.00	381454.00	388833.00	421659.00	397737.00	412036.00	383414.00	376150.00	330777.00	316996.00	323308.00	316781.00	248066.00	235197.00	308546.00	314269.00	357402.00	355553.00	423925.00	413564.00	268720.00	266011.00	319967.00	324431.00	391986.00	414312.00	356689.00	352578.00	353982.00	348122.00	383712.00	362154.00	354993.00	330408.00	295570.00	292940.00	341496.00	347400.00	346527.00	308727.00	318857.00	336618.00	265718.00	270835.00	388604.00	389630.00	394116.00	377948.00	350047.00	353244.00	401941.00	416385.00
C5 H Cl O2 S3	56311.00	57954.00	59428.00	57325.00	61954.00	62135.00	60411.00	63607.00	55920.00	57839.00	63232.00	59791.00	62880.00	60751.00	64903.00	64301.00	61326.00	65168.00	61117.00	62155.00	59426.00	61308.00	61555.00	60135.00	55348.00	59164.00	56950.00	56025.00	56437.00	53995.00	55785.00	52143.00	53114.00	56554.00	61625.00	60931.00	58274.00	55431.00	58643.00	62740.00	63834.00	58996.00	62447.00	57614.00	58457.00	61158.00	56379.00	57180.00	57947.00	54984.00	59745.00	60133.00	58536.00	55082.00
C9 H3 Cl3 N O7 S2	63270.00	63612.00	29170.00	33034.00	32775.00	33822.00	36965.00	36008.00	42492.00	41958.00	53905.00	57606.00	36085.00	37776.00	55460.00	57126.00	51798.00	49995.00	38679.00	40930.00	37864.00	38499.00	60909.00	62885.00	55268.00	55503.00	33313.00	33167.00	34551.00	34366.00	40469.00	41493.00	35211.00	36492.00	40984.00	41772.00	53895.00	53893.00	39329.00	39409.00	40132.00	42297.00	37562.00	41905.00	58625.00	64597.00	46327.00	42104.00	45776.00	44731.00	58690.00	56518.00	37798.00	38683.00
ZK 168281	1.00	1.00	19808.00	9674.00	21663.00	14017.00	21803.00	67524.00	13546.00	19211.00	1.00	1.00	16570.00	1.00	1.00	1.00	1.00	1.00	27203.00	13775.00	33462.00	1.00	1.00	1.00	1.00	1.00	34938.00	16188.00	43808.00	44127.00	1.00	25568.00	23949.00	1.00	1.00	16764.00	1.00	1.00	22452.00	10610.00	17950.00	1.00	18214.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12557.00	1.00	32692.00	11866.00
Dichloroacetate	60370.00	63630.00	59382.00	65826.00	67286.00	66198.00	64938.00	69353.00	66871.00	50062.00	58520.00	67350.00	69306.00	71294.00	67029.00	76360.00	62891.00	68602.00	68712.00	70139.00	76489.00	77130.00	73153.00	71115.00	55110.00	54192.00	68308.00	66419.00	62711.00	59109.00	64065.00	61845.00	73791.00	72831.00	73111.00	65043.00	69291.00	66977.00	67769.00	69528.00	75243.00	71201.00	71903.00	69018.00	69176.00	73900.00	66870.00	69100.00	72923.00	72539.00	76969.00	59130.00	65011.00	67393.00
Thifluzamide Esi-0.84400064	59719.00	58490.00	36163.00	34723.00	38696.00	39594.00	38568.00	42059.00	41110.00	40408.00	50960.00	53476.00	43508.00	44161.00	53512.00	56338.00	55947.00	59086.00	41020.00	38269.00	43808.00	45833.00	59374.00	59850.00	57981.00	56791.00	42595.00	41646.00	39050.00	40415.00	41683.00	41394.00	43555.00	44213.00	47500.00	50011.00	54915.00	56474.00	46367.00	39701.00	45532.00	45642.00	42020.00	41841.00	55399.00	56428.00	42063.00	44666.00	45923.00	46382.00	54123.00	56783.00	39735.00	41084.00
C10 H6 N7 O3 S	44153.00	48970.00	38200.00	37848.00	35424.00	37626.00	41449.00	42992.00	41826.00	41834.00	54128.00	53007.00	41869.00	40119.00	51064.00	50806.00	42747.00	43213.00	43020.00	46383.00	37717.00	40864.00	61836.00	63189.00	50661.00	51616.00	40218.00	42901.00	44883.00	45446.00	42484.00	44617.00	43889.00	40788.00	43071.00	41742.00	51602.00	49142.00	45413.00	44073.00	48802.00	48553.00	41973.00	41673.00	52264.00	53523.00	46114.00	45186.00	45119.00	43318.00	49325.00	53333.00	45545.00	43649.00
C8 N O2 S Esi-0.8689997	416917.00	420275.00	26423.00	21753.00	42636.00	32708.00	69188.00	70349.00	170243.00	168802.00	341689.00	348461.00	126301.00	123811.00	359395.00	352831.00	305750.00	301253.00	84173.00	83898.00	86752.00	89282.00	356784.00	370985.00	332075.00	339302.00	79757.00	81191.00	104737.00	108833.00	135389.00	127237.00	60103.00	65392.00	116663.00	126728.00	312756.00	296877.00	105415.00	101183.00	122130.00	121757.00	114064.00	116803.00	328459.00	329462.00	107931.00	107035.00	105639.00	103032.00	288783.00	277737.00	94227.00	94038.00
O-Demethylpuromycin	22077.00	25454.00	6495.00	6922.00	19507.00	20125.00	12361.00	18154.00	6528.00	9237.00	22994.00	27727.00	12065.00	11976.00	34399.00	36198.00	12960.00	13228.00	15345.00	15608.00	12749.00	12072.00	20264.00	24893.00	18820.00	21248.00	9617.00	9691.00	14176.00	16810.00	14580.00	20688.00	14083.00	13017.00	15319.00	17353.00	29025.00	37041.00	10896.00	11587.00	8113.00	7775.00	9089.00	8437.00	56059.00	55990.00	9211.00	9135.00	14839.00	14888.00	28874.00	33238.00	15373.00	13027.00
C12 H2 N2 O13 S2	62876.00	63642.00	37767.00	37413.00	43851.00	43004.00	47795.00	46038.00	46974.00	47272.00	56586.00	59192.00	48837.00	46286.00	61972.00	60389.00	61203.00	61062.00	47831.00	47990.00	46730.00	48623.00	62430.00	65496.00	61460.00	63759.00	44502.00	44780.00	44349.00	41519.00	48242.00	46810.00	49160.00	50075.00	52960.00	56830.00	57738.00	57396.00	44572.00	43783.00	47855.00	50278.00	47876.00	43960.00	58475.00	58623.00	49477.00	50063.00	52332.00	50340.00	58689.00	58127.00	43898.00	46387.00
Myristic Acid ethyl ester	1.00	1.00	14494.00	1.00	26811.00	44546.00	26410.00	63803.00	1.00	32201.00	1.00	1.00	27143.00	1.00	1.00	1.00	1.00	1.00	13560.00	23984.00	32011.00	1.00	1.00	1.00	1.00	1.00	25599.00	1.00	54446.00	55629.00	1.00	27883.00	30346.00	1.00	1.00	31740.00	1.00	1.00	27425.00	1.00	1.00	1.00	21923.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	22421.00	1.00
DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0/0:0) Esi-13.755004	1.00	1.00	236938.00	58662.00	378461.00	209504.00	311661.00	1336344.00	158709.00	219731.00	1.00	18039.00	326699.00	76458.00	1.00	1.00	20377.00	1.00	418779.00	155873.00	532419.00	28551.00	30590.00	43320.00	24548.00	32976.00	515553.00	152333.00	982327.00	1081837.00	80548.00	400001.00	401321.00	28382.00	47488.00	268457.00	1.00	24682.00	246412.00	115291.00	95582.00	27259.00	175654.00	24280.00	1.00	1.00	1.00	15471.00	76568.00	66455.00	97135.00	54093.00	649613.00	85651.00
C41 H89 N5 O	55001.00	52341.00	40661.00	38993.00	44813.00	42450.00	42579.00	44823.00	40066.00	40459.00	53884.00	52057.00	44326.00	44966.00	52838.00	53761.00	55040.00	52061.00	40316.00	41955.00	49353.00	44272.00	55162.00	58390.00	55989.00	53080.00	41361.00	44182.00	44931.00	40976.00	42598.00	46837.00	44413.00	41347.00	49816.00	48209.00	49987.00	53345.00	44420.00	41875.00	46320.00	50814.00	43664.00	41079.00	55124.00	54055.00	43996.00	42735.00	43826.00	48733.00	54500.00	54841.00	44430.00	41887.00
C26 H45 N23	1.00	1.00	19505.00	1.00	49476.00	39169.00	23181.00	123666.00	1.00	31180.00	1.00	1.00	33300.00	12956.00	1.00	1.00	1.00	1.00	38467.00	17015.00	39470.00	1.00	1.00	1.00	1.00	1.00	32968.00	1.00	90900.00	105843.00	16364.00	69813.00	46917.00	1.00	1.00	51532.00	1.00	1.00	22751.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	19769.00	1.00	70228.00	1.00
Idebenone Metabolite (Benzenedecanoic acid, 2,5-dihydroxy-3,4-dimethoxy-6-methyl-)	40801.00	37438.00	32785.00	32145.00	30224.00	35106.00	32108.00	29567.00	34615.00	38689.00	29489.00	33556.00	28787.00	28570.00	34154.00	32039.00	33683.00	32769.00	33451.00	28472.00	33102.00	30490.00	32239.00	34205.00	38003.00	45612.00	36028.00	32772.00	34686.00	34894.00	33963.00	33687.00	26204.00	26042.00	26789.00	24287.00	31838.00	34327.00	38832.00	39639.00	44162.00	41300.00	62777.00	57763.00	38363.00	36608.00	27696.00	32012.00	30277.00	33293.00	38259.00	39463.00	35605.00	40122.00
Uric acid	40077.00	36765.00	44539.00	45078.00	36046.00	35571.00	38011.00	35729.00	38047.00	35213.00	30528.00	29274.00	30682.00	29862.00	51244.00	54149.00	27815.00	34465.00	35489.00	37999.00	27229.00	29616.00	64118.00	56409.00	39613.00	37757.00	48668.00	48634.00	43522.00	44104.00	35732.00	38163.00	29551.00	33229.00	22798.00	24179.00	34816.00	39323.00	45294.00	43357.00	44902.00	42510.00	56033.00	55749.00	33601.00	30606.00	60269.00	61484.00	44505.00	47521.00	43436.00	46777.00	39396.00	38111.00
C39 H65 N O22	1.00	1.00	15592.00	1.00	45653.00	27649.00	27274.00	74748.00	27332.00	34347.00	1.00	1.00	37817.00	1.00	1.00	1.00	1.00	1.00	36054.00	18950.00	34308.00	1.00	1.00	1.00	15789.00	1.00	38428.00	13990.00	63754.00	67656.00	19558.00	57015.00	41548.00	15008.00	1.00	35439.00	1.00	1.00	28346.00	16835.00	16660.00	1.00	17494.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	28262.00	14941.00	65059.00	22210.00
C6 H11 N4 O7 S	31594.00	32606.00	44783.00	44520.00	33943.00	35401.00	53037.00	46236.00	36388.00	33776.00	36349.00	34859.00	30057.00	32039.00	39604.00	40646.00	44408.00	43070.00	27246.00	29359.00	51521.00	51740.00	40461.00	39615.00	33079.00	37230.00	42487.00	41121.00	57840.00	56573.00	60907.00	58369.00	50644.00	46220.00	28208.00	28693.00	53009.00	52836.00	47995.00	49017.00	51955.00	50009.00	55163.00	49821.00	49027.00	52929.00	20107.00	21517.00	39866.00	40215.00	50939.00	54676.00	52162.00	47591.00
DG(18:3(9Z,12Z,15Z)/14:0/0:0) Esi-15.092003	1.00	1.00	28936.00	26669.00	179658.00	98341.00	99563.00	302181.00	39385.00	73906.00	1.00	1.00	45588.00	1.00	1.00	1.00	1.00	1.00	114089.00	43260.00	107362.00	1.00	1.00	1.00	1.00	1.00	128247.00	49427.00	220075.00	222360.00	40983.00	170058.00	152897.00	1.00	30401.00	145689.00	1.00	1.00	83913.00	34293.00	34430.00	1.00	38357.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	43001.00	1.00	151571.00	36743.00
C8 H9 N O3 S	39786.00	43061.00	42571.00	41439.00	28101.00	28414.00	25119.00	25764.00	23395.00	23411.00	19527.00	18898.00	60208.00	54908.00	48647.00	45912.00	19922.00	20798.00	39967.00	39827.00	28418.00	27497.00	33307.00	29914.00	28700.00	27606.00	38912.00	40228.00	37045.00	42084.00	45166.00	46156.00	33743.00	40350.00	27536.00	25912.00	38077.00	36174.00	27946.00	28233.00	33283.00	31953.00	32341.00	30099.00	35649.00	39651.00	40373.00	40578.00	40342.00	37235.00	37181.00	36002.00	29948.00	30494.00
C33 H12 N10 O27 Esi-1.0299995	101883.00	95170.00	91647.00	112800.00	87264.00	103222.00	94674.00	101283.00	106726.00	95215.00	81466.00	98272.00	89778.00	92068.00	97900.00	103683.00	80776.00	82996.00	100926.00	85483.00	63398.00	73116.00	98682.00	91547.00	88459.00	73375.00	93018.00	91781.00	75466.00	93116.00	103799.00	101893.00	69934.00	113317.00	97167.00	91046.00	79917.00	99823.00	107610.00	98960.00	91139.00	90110.00	103285.00	100931.00	122606.00	91506.00	271056.00	108394.00	82917.00	87160.00	84412.00	96890.00	114208.00	99134.00
C9 H2 O5 S4	30525.00	31219.00	21506.00	20042.00	27030.00	22595.00	22643.00	25276.00	23372.00	23637.00	27674.00	25297.00	21721.00	24129.00	29462.00	30528.00	25262.00	27200.00	29044.00	24774.00	22698.00	21361.00	31609.00	30358.00	29620.00	29589.00	22352.00	22760.00	22358.00	22992.00	21459.00	27544.00	21734.00	26890.00	25036.00	21504.00	28307.00	29176.00	22256.00	27792.00	24281.00	22780.00	21465.00	23538.00	30508.00	32122.00	25827.00	26067.00	26395.00	25980.00	30298.00	29972.00	27086.00	21724.00
3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-methylcyclo-hexanecarboxylate	77333.00	72034.00	74021.00	65225.00	54688.00	67815.00	59782.00	76722.00	63138.00	77078.00	64867.00	70596.00	58157.00	66738.00	81349.00	67931.00	82838.00	78938.00	55501.00	72099.00	78296.00	62748.00	66984.00	78550.00	55597.00	65266.00	60270.00	58347.00	62098.00	64957.00	64164.00	77985.00	61425.00	57293.00	57545.00	51411.00	53906.00	61190.00	58982.00	65206.00	62046.00	65622.00	72626.00	64245.00	64202.00	63117.00	62135.00	68591.00	69213.00	61748.00	80024.00	61228.00	62362.00	58149.00
Myristic acid	19318.00	18223.00	26896.00	19372.00	32223.00	26668.00	29989.00	50549.00	30286.00	33941.00	19889.00	20878.00	31875.00	22116.00	18297.00	19088.00	25483.00	25517.00	47959.00	33212.00	51048.00	25647.00	21098.00	21678.00	23688.00	20214.00	49386.00	30196.00	62506.00	64135.00	29287.00	49800.00	40880.00	23239.00	20492.00	35294.00	20903.00	23131.00	53614.00	40012.00	35727.00	26282.00	42176.00	27059.00	20743.00	17943.00	22218.00	21439.00	24248.00	22491.00	30845.00	24854.00	67027.00	31840.00
Doisynoestrol	84334.00	80826.00	88817.00	88685.00	81908.00	90035.00	89001.00	83395.00	77323.00	83620.00	82011.00	88232.00	78423.00	80715.00	83355.00	82594.00	77370.00	86567.00	84778.00	82851.00	87848.00	74814.00	79778.00	79116.00	74719.00	74252.00	78726.00	72548.00	82582.00	82396.00	72233.00	78665.00	75765.00	82588.00	75034.00	76461.00	75792.00	79040.00	70596.00	78068.00	86028.00	72386.00	77402.00	71670.00	81774.00	79360.00	74249.00	77815.00	79783.00	74676.00	73269.00	72901.00	77452.00	73575.00
Cucurbitacin S	1.00	1.00	11899.00	1.00	18618.00	9542.00	14101.00	60071.00	1.00	11257.00	1.00	1.00	17142.00	1.00	1.00	1.00	1.00	1.00	18325.00	1.00	15556.00	1.00	1.00	1.00	1.00	1.00	23888.00	1.00	42519.00	45704.00	1.00	27891.00	18846.00	1.00	1.00	16350.00	1.00	1.00	16117.00	1.00	9090.00	1.00	9750.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12995.00	1.00	29803.00	1.00
C22 H39 N8 Esi-12.428994	34728.00	35087.00	118100.00	80753.00	217069.00	143527.00	1.00	53604.00	1.00	1.00	1.00	1.00	215511.00	126381.00	28602.00	23608.00	19681.00	17958.00	82999.00	46260.00	47649.00	1.00	1.00	1.00	1.00	1.00	50386.00	18535.00	118641.00	134433.00	36817.00	80617.00	21156.00	1.00	1.00	18511.00	23567.00	27041.00	16390.00	1.00	29807.00	15516.00	282720.00	126935.00	21114.00	22123.00	1.00	1.00	1.00	1.00	16927.00	1.00	46206.00	1.00
C23 H25 N8 O	55364.00	53921.00	33530.00	31308.00	28939.00	25488.00	29119.00	42673.00	19804.00	20842.00	38080.00	40909.00	52385.00	48346.00	44704.00	45817.00	44747.00	41407.00	44103.00	35859.00	50124.00	32924.00	38438.00	36318.00	44587.00	41797.00	49079.00	40850.00	62684.00	62236.00	40970.00	40956.00	47062.00	43043.00	25790.00	26349.00	29693.00	31003.00	29485.00	26692.00	44085.00	37674.00	41588.00	37721.00	35074.00	35710.00	19427.00	18551.00	14814.00	15395.00	42873.00	44681.00	52472.00	36534.00
C20 H40 N5 O6	1.00	1.00	14038.00	1.00	30655.00	16205.00	21262.00	53460.00	1.00	19044.00	1.00	1.00	19969.00	1.00	1.00	1.00	1.00	1.00	24220.00	11033.00	23163.00	1.00	1.00	1.00	1.00	1.00	31386.00	12238.00	47981.00	51436.00	11637.00	31397.00	29982.00	1.00	1.00	24733.00	1.00	1.00	20474.00	11248.00	11550.00	1.00	13953.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	15485.00	1.00	38664.00	10129.00
C8 H4 O5 S2	63957.00	71347.00	20073.00	19996.00	50763.00	24194.00	37226.00	31323.00	52026.00	39080.00	73267.00	44503.00	42628.00	53190.00	44802.00	50350.00	51904.00	53576.00	26644.00	38076.00	28737.00	26292.00	56999.00	52938.00	51782.00	62260.00	29180.00	31545.00	23988.00	23452.00	43366.00	30608.00	21656.00	21202.00	59137.00	33959.00	63917.00	71164.00	57323.00	32546.00	29099.00	31529.00	42858.00	27187.00	61263.00	46158.00	63583.00	59581.00	34315.00	36786.00	45323.00	47579.00	32118.00	31420.00
Dibenzo[1,4]dioxin-2,3-dione	21165.00	20710.00	21296.00	25422.00	24615.00	26839.00	41791.00	37443.00	18868.00	18408.00	49278.00	41046.00	18203.00	33607.00	43941.00	47242.00	21257.00	17265.00	56270.00	55730.00	29542.00	22379.00	34736.00	26519.00	29473.00	23775.00	28760.00	33500.00	38563.00	34463.00	42073.00	39712.00	42395.00	44498.00	34095.00	33548.00	22407.00	19543.00	30647.00	26662.00	34252.00	25348.00	25788.00	26227.00	37215.00	33819.00	24888.00	20649.00	33542.00	32763.00	27430.00	27158.00	57075.00	42388.00
C29 H49 N2 O15 Esi-9.178001	31519.00	31814.00	17593.00	18223.00	23020.00	24213.00	26449.00	28767.00	26110.00	25933.00	47980.00	48393.00	21818.00	23488.00	54630.00	52084.00	33826.00	34220.00	26230.00	26597.00	36735.00	35964.00	48781.00	47116.00	56940.00	63687.00	31255.00	29748.00	34578.00	36219.00	33380.00	36140.00	22887.00	23018.00	26674.00	27603.00	40596.00	45379.00	30632.00	30053.00	31042.00	31555.00	28720.00	27175.00	45419.00	46184.00	29089.00	29063.00	22763.00	23311.00	50947.00	51557.00	31995.00	31076.00
C8 Cl2 N O4 S5	47684.00	49285.00	46548.00	47009.00	45979.00	47694.00	48041.00	49582.00	45315.00	44921.00	50625.00	55561.00	52045.00	47222.00	50691.00	52355.00	49584.00	53454.00	42430.00	49004.00	50195.00	48258.00	52597.00	51737.00	48351.00	51147.00	48071.00	43772.00	41820.00	46024.00	47315.00	49611.00	47890.00	46550.00	49591.00	48686.00	44567.00	52653.00	43836.00	51718.00	50772.00	51591.00	46472.00	46463.00	54281.00	52117.00	48391.00	50334.00	47793.00	50509.00	53582.00	56283.00	45624.00	50142.00
1,3,5-Trihydroxyxanthone	51452.00	47856.00	26671.00	27210.00	33877.00	32993.00	44521.00	46493.00	52606.00	49771.00	51661.00	48918.00	42531.00	41090.00	42052.00	39744.00	53687.00	47575.00	39627.00	39693.00	49789.00	50871.00	43195.00	45078.00	54216.00	52659.00	49615.00	50767.00	41649.00	43841.00	47155.00	47475.00	38646.00	38438.00	50178.00	47049.00	49701.00	48886.00	42442.00	46399.00	45767.00	43456.00	44830.00	41090.00	43746.00	46258.00	54802.00	52184.00	55155.00	55913.00	56017.00	56222.00	50297.00	48474.00
Mephenesin	18645.00	17232.00	13811.00	21807.00	1.00	1.00	1.00	1.00	18511.00	16330.00	16930.00	14607.00	12285.00	16767.00	21478.00	25473.00	46826.00	53509.00	1.00	1.00	28381.00	22147.00	27304.00	29085.00	69413.00	77155.00	22264.00	21648.00	14259.00	18936.00	25250.00	24638.00	14399.00	1.00	25841.00	17495.00	21119.00	19068.00	19101.00	21087.00	24383.00	26177.00	30331.00	22590.00	13884.00	15762.00	18398.00	22272.00	10317.00	12653.00	44978.00	33236.00	15441.00	19835.00
C15 H7 N O3	18379.00	20527.00	26347.00	25531.00	20115.00	17852.00	30420.00	31192.00	21844.00	24147.00	21775.00	20618.00	17971.00	17968.00	33499.00	31174.00	25144.00	28025.00	23733.00	22651.00	33660.00	33334.00	26811.00	25893.00	22426.00	20585.00	30034.00	29955.00	39353.00	39073.00	39107.00	35363.00	30041.00	32126.00	17006.00	15878.00	32532.00	31916.00	31291.00	33775.00	29749.00	30465.00	33736.00	31995.00	35120.00	33897.00	16965.00	15605.00	27864.00	26352.00	34725.00	34513.00	34722.00	32732.00
L-beta-aspartyl-L-aspartic acid	22647.00	20924.00	16100.00	14746.00	18831.00	16175.00	25017.00	24103.00	27216.00	27321.00	33018.00	31558.00	26625.00	27348.00	17309.00	17538.00	22680.00	23074.00	18955.00	18322.00	22163.00	20986.00	20277.00	43244.00	36531.00	34142.00	19899.00	21243.00	51774.00	26632.00	36509.00	36211.00	26058.00	25666.00	30210.00	30701.00	36211.00	37559.00	26725.00	27570.00	30766.00	30024.00	31943.00	27720.00	38377.00	40373.00	32759.00	30394.00	34887.00	35998.00	35564.00	34099.00	34389.00	34133.00
Orthothymotinic Acid Esi-8.777004	360034.00	347673.00	368401.00	355841.00	330518.00	367159.00	343914.00	339169.00	343735.00	354160.00	351960.00	350409.00	330494.00	337478.00	327870.00	326611.00	320657.00	314919.00	327157.00	325773.00	293213.00	340794.00	346574.00	335420.00	330118.00	334565.00	325300.00	342322.00	293311.00	341551.00	351158.00	343863.00	358302.00	360750.00	337700.00	361346.00	348358.00	338611.00	348926.00	321572.00	315939.00	340743.00	318271.00	338776.00	331746.00	350523.00	339968.00	353778.00	346404.00	344470.00	347018.00	333302.00	342740.00	351875.00
C3 H4 N2 O4 S	61761.00	63937.00	1.00	1.00	1.00	14465.00	22564.00	22579.00	30389.00	31005.00	57669.00	55754.00	25337.00	24729.00	61080.00	65356.00	51384.00	52110.00	22244.00	21361.00	20658.00	20628.00	61053.00	60914.00	58997.00	56829.00	18057.00	18004.00	16722.00	20322.00	27592.00	32972.00	14531.00	15874.00	30702.00	33763.00	54696.00	56750.00	27775.00	25886.00	24534.00	26277.00	21786.00	22912.00	59462.00	58740.00	26784.00	26334.00	27858.00	28695.00	55180.00	58235.00	25458.00	22579.00
C6 H2 N2 O3 S Esi-0.84299964 :1	668935.00	694028.00	515420.00	498776.00	509929.00	522002.00	565394.00	577076.00	565531.00	599614.00	655221.00	603251.00	640036.00	622789.00	680641.00	629378.00	610923.00	670389.00	617189.00	621073.00	613919.00	580643.00	649091.00	704149.00	598215.00	654279.00	600688.00	574861.00	531378.00	533666.00	554440.00	580739.00	559832.00	595389.00	599406.00	630971.00	635306.00	605095.00	605521.00	552646.00	597257.00	533123.00	591244.00	554216.00	652742.00	656177.00	601948.00	610074.00	592135.00	599151.00	595026.00	638170.00	586916.00	519505.00
C38 H61 N3 O13	1.00	1.00	39765.00	37533.00	55274.00	43282.00	39602.00	142398.00	31700.00	35554.00	1.00	1.00	45749.00	34153.00	1.00	1.00	32947.00	26473.00	48125.00	26544.00	104472.00	18173.00	1.00	1.00	25104.00	18844.00	72329.00	27740.00	70169.00	151898.00	44895.00	71122.00	58647.00	25144.00	27589.00	50481.00	1.00	1.00	51263.00	24031.00	33536.00	1.00	44237.00	14571.00	14627.00	12013.00	14221.00	16323.00	22749.00	23862.00	27238.00	15173.00	110226.00	26706.00
Mecarbinzid Esi-0.8969996	198744.00	195892.00	654120.00	663558.00	751392.00	773456.00	637626.00	634592.00	449677.00	426444.00	242633.00	247772.00	322017.00	320445.00	141056.00	143289.00	263746.00	262430.00	545224.00	557551.00	800114.00	777942.00	175621.00	175729.00	278137.00	281363.00	780530.00	751658.00	631610.00	628648.00	376221.00	477991.00	641445.00	650653.00	371652.00	384046.00	284002.00	283228.00	467808.00	584648.00	406572.00	495586.00	497125.00	489889.00	219099.00	215901.00	689921.00	690154.00	459653.00	447912.00	311144.00	313158.00	710850.00	701067.00
Chloral hydrate	53943.00	51655.00	51096.00	52350.00	51660.00	53064.00	53312.00	52336.00	46818.00	51608.00	57186.00	55859.00	52396.00	53931.00	57043.00	58897.00	59813.00	60744.00	55138.00	55367.00	58076.00	58822.00	59597.00	59242.00	60257.00	59361.00	59232.00	53924.00	52909.00	55713.00	54054.00	53718.00	59099.00	57808.00	51563.00	59918.00	56765.00	59991.00	57015.00	53874.00	56046.00	60027.00	57991.00	55147.00	56886.00	58244.00	55854.00	58016.00	54510.00	57739.00	56913.00	56260.00	51650.00	52376.00
4-Hydroxy-L-proline	45910.00	45311.00	50323.00	50491.00	39986.00	40199.00	42477.00	42764.00	35539.00	34743.00	38542.00	39685.00	58872.00	62892.00	45124.00	43024.00	51444.00	47678.00	37617.00	34470.00	39921.00	43933.00	37036.00	34255.00	37811.00	39136.00	53920.00	53433.00	63134.00	61820.00	50985.00	50349.00	47562.00	50088.00	40635.00	40472.00	43803.00	42418.00	30791.00	34972.00	50721.00	55499.00	63713.00	62162.00	58979.00	57377.00	47815.00	49032.00	46658.00	47807.00	43615.00	43608.00	39473.00	39866.00
(-)-erythro-(2R,3R)-Dihydroxybutylamide	406291.00	417076.00	428148.00	429720.00	483077.00	473975.00	411227.00	409387.00	436502.00	438077.00	598091.00	590220.00	617111.00	638993.00	384613.00	371409.00	468989.00	443230.00	389989.00	402912.00	429426.00	420486.00	315532.00	314281.00	493966.00	510066.00	559045.00	606480.00	705399.00	705253.00	474762.00	509981.00	652195.00	632742.00	401868.00	382920.00	447549.00	422478.00	413427.00	415264.00	585275.00	550508.00	507692.00	507744.00	389046.00	420927.00	423779.00	413959.00	452606.00	451193.00	406556.00	380625.00	462442.00	501926.00
C4 H3 N O7	57883.00	54126.00	1.00	1.00	1.00	10013.00	29316.00	28380.00	32255.00	29948.00	60470.00	61068.00	24825.00	22267.00	54819.00	51660.00	53042.00	57185.00	18403.00	17379.00	18478.00	20084.00	53704.00	58948.00	63034.00	62958.00	14556.00	18173.00	22959.00	20308.00	33886.00	36056.00	13649.00	13703.00	31859.00	34489.00	58759.00	59268.00	23833.00	23061.00	27030.00	25767.00	22259.00	23872.00	62146.00	62071.00	24218.00	26373.00	31784.00	32198.00	58687.00	62608.00	26397.00	25700.00
C3 H3 Cl3 O4 S4	40606.00	40435.00	50905.00	51798.00	49791.00	49697.00	52647.00	50380.00	48059.00	45071.00	48117.00	44680.00	50237.00	49713.00	48922.00	46380.00	45296.00	48565.00	48381.00	50798.00	48798.00	48611.00	46675.00	46836.00	49500.00	45780.00	49295.00	50244.00	49086.00	50709.00	52770.00	53318.00	51411.00	47765.00	50666.00	54963.00	44964.00	46214.00	51702.00	51073.00	44436.00	49711.00	52172.00	55604.00	48981.00	47407.00	52100.00	52105.00	54015.00	47545.00	49349.00	46867.00	46883.00	49458.00
C9 H2 N2 O5 S Esi-1.7860008	33828.00	29121.00	55909.00	1.00	33315.00	24691.00	74866.00	53000.00	48310.00	45985.00	26110.00	48104.00	31177.00	41939.00	70848.00	31648.00	1.00	51503.00	31543.00	32187.00	37269.00	36497.00	42988.00	27058.00	39769.00	66952.00	41653.00	41373.00	47484.00	43847.00	30663.00	64083.00	27474.00	41273.00	32084.00	63384.00	30291.00	38169.00	75328.00	40456.00	63104.00	46419.00	39185.00	55653.00	34517.00	29021.00	59940.00	37643.00	46397.00	1.00	48703.00	35130.00	43818.00	45098.00
C17 H33 O8	3601.00	3163.00	3628.00	1.00	1.00	1.00	3236.00	8693.00	4875.00	7070.00	1.00	1.00	3084.00	1.00	1.00	1.00	3738.00	3620.00	11876.00	6235.00	27093.00	5680.00	4111.00	4552.00	4914.00	3234.00	21984.00	8392.00	28160.00	27226.00	1.00	7516.00	4292.00	1.00	1.00	1.00	1.00	1.00	22100.00	12726.00	15685.00	6780.00	22221.00	7166.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	21916.00	6191.00
(2E,6Z)-nona-2,6-dienal	17881.00	18902.00	31628.00	27940.00	17232.00	17130.00	14175.00	19836.00	18570.00	19623.00	18686.00	20550.00	23211.00	26552.00	32004.00	29910.00	54229.00	54502.00	14691.00	14467.00	35500.00	30763.00	20829.00	21236.00	53282.00	57209.00	25515.00	26740.00	23654.00	21997.00	44566.00	45419.00	17028.00	17397.00	24935.00	24698.00	21580.00	21796.00	26196.00	28637.00	30095.00	29607.00	29451.00	29358.00	20371.00	22271.00	20844.00	19124.00	17577.00	16573.00	37271.00	34374.00	25572.00	27211.00
Sulfamethazine	31275.00	31173.00	48234.00	46959.00	63332.00	59549.00	48353.00	54814.00	44897.00	42688.00	47081.00	42145.00	28594.00	26197.00	26281.00	27623.00	35135.00	36422.00	33550.00	38295.00	44247.00	37486.00	34285.00	35783.00	42119.00	40116.00	50238.00	48122.00	26353.00	22602.00	28935.00	32881.00	40737.00	39341.00	46393.00	40073.00	22318.00	25194.00	25864.00	33790.00	30963.00	32818.00	27691.00	26586.00	36383.00	33978.00	55601.00	59841.00	57159.00	46017.00	41933.00	30395.00	41374.00	38478.00
C16 H22 N14 O8	58031.00	61966.00	1.00	1.00	1.00	1.00	1.00	1.00	33017.00	34507.00	44226.00	43521.00	1.00	17765.00	66108.00	63833.00	57928.00	55459.00	36309.00	30234.00	53235.00	40410.00	63733.00	60503.00	75627.00	76444.00	54139.00	49112.00	67732.00	67118.00	52749.00	55658.00	1.00	1.00	19844.00	18048.00	59193.00	55528.00	97156.00	90115.00	83857.00	78617.00	95003.00	86170.00	34374.00	36180.00	17904.00	18717.00	26788.00	22826.00	46466.00	43580.00	73688.00	59928.00
C18 H36 N11	21170.00	11948.00	46081.00	15284.00	60846.00	37485.00	55815.00	248441.00	43294.00	31983.00	1.00	16349.00	49515.00	17408.00	1.00	1.00	23354.00	26803.00	72179.00	35753.00	80088.00	27699.00	13295.00	29573.00	21126.00	18849.00	74305.00	37849.00	157602.00	181975.00	26265.00	65875.00	66130.00	33927.00	21716.00	50938.00	1.00	18234.00	47390.00	55283.00	30466.00	22558.00	43295.00	19989.00	1.00	1.00	12658.00	12572.00	19325.00	26058.00	31637.00	27151.00	91539.00	20700.00
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, 2-hydroxy-2-methylpropyl	31848.00	34250.00	36939.00	41094.00	43095.00	40637.00	40088.00	39455.00	40616.00	35572.00	50813.00	49643.00	36852.00	36754.00	45138.00	45037.00	39570.00	39825.00	40485.00	39641.00	38884.00	39342.00	47022.00	47739.00	43666.00	43162.00	45116.00	46379.00	44463.00	42068.00	41068.00	43420.00	42569.00	43949.00	41645.00	38614.00	46696.00	43541.00	48666.00	47039.00	44973.00	48274.00	44362.00	42609.00	40262.00	42987.00	48154.00	48765.00	51150.00	50596.00	54537.00	55503.00	49826.00	49258.00
C19 H4 Cl2 N4 O7 S5	54048.00	53670.00	34095.00	32672.00	36681.00	37214.00	39958.00	38239.00	38438.00	38014.00	50086.00	50182.00	39734.00	41219.00	51393.00	51742.00	53260.00	54047.00	35236.00	37674.00	39619.00	40262.00	53496.00	54722.00	53310.00	52451.00	37334.00	36982.00	36657.00	34865.00	37766.00	36250.00	38670.00	39580.00	42176.00	42113.00	48927.00	53863.00	37818.00	37160.00	40656.00	42368.00	35617.00	34359.00	47051.00	51841.00	40119.00	39742.00	41245.00	40203.00	48432.00	51677.00	35159.00	34543.00
C16 H30 N3 O7 S	12658.00	13811.00	18782.00	19820.00	20131.00	18925.00	16991.00	15388.00	26265.00	25051.00	22102.00	22499.00	29928.00	30055.00	1.00	1.00	20122.00	20892.00	14000.00	13059.00	22134.00	20931.00	1.00	1.00	31427.00	31357.00	22802.00	24457.00	49849.00	54044.00	37839.00	34110.00	40179.00	40960.00	29365.00	30172.00	39785.00	44455.00	24835.00	26740.00	48429.00	40470.00	34571.00	30999.00	48349.00	42245.00	26822.00	32706.00	42591.00	44016.00	21512.00	20619.00	43079.00	40254.00
C7 H8 O5 S	20704.00	19681.00	1.00	1.00	13676.00	14042.00	31115.00	31900.00	36593.00	35117.00	19740.00	17456.00	21252.00	21107.00	26047.00	24632.00	16693.00	16741.00	33635.00	34337.00	17931.00	18060.00	26455.00	27287.00	26152.00	27080.00	47311.00	43353.00	23997.00	20605.00	26890.00	26513.00	23118.00	23934.00	17017.00	19267.00	31481.00	33622.00	18560.00	18749.00	32859.00	32333.00	29783.00	30528.00	26409.00	28316.00	28364.00	29027.00	22863.00	22198.00	55071.00	55473.00	27736.00	30284.00
3-Epihydroxymugineic acid	1.00	13489.00	15205.00	16965.00	13240.00	19576.00	16383.00	13155.00	15104.00	15574.00	14232.00	13483.00	15254.00	17569.00	14740.00	15122.00	17152.00	15958.00	16148.00	13242.00	15954.00	13398.00	13925.00	13645.00	15623.00	15906.00	22088.00	19881.00	12953.00	15897.00	13312.00	14423.00	18010.00	18706.00	14957.00	14646.00	17006.00	19409.00	16038.00	14429.00	14080.00	13899.00	17897.00	18164.00	61506.00	59161.00	16703.00	11564.00	16164.00	12287.00	16172.00	13646.00	13897.00	14873.00
C5 H9 N7 O2 Esi-1.6699988	30583.00	28356.00	29321.00	28412.00	34112.00	34757.00	33949.00	35334.00	48540.00	45071.00	57061.00	57385.00	25557.00	25237.00	35709.00	35087.00	49518.00	47874.00	39608.00	40266.00	38157.00	38150.00	42161.00	39912.00	35178.00	37830.00	47065.00	47302.00	35613.00	31829.00	33842.00	36861.00	35737.00	34798.00	38301.00	43355.00	43454.00	41726.00	49596.00	53449.00	34733.00	37430.00	36329.00	36690.00	39134.00	35124.00	46753.00	46978.00	47857.00	50952.00	53449.00	55222.00	49191.00	49886.00
C10 H2 N4 O11 S Esi-11.257	1.00	1.00	116515.00	87628.00	138543.00	111619.00	110174.00	62986.00	1.00	103000.00	1.00	1.00	131587.00	1.00	1.00	1.00	56273.00	1.00	127579.00	109467.00	142195.00	74169.00	1.00	1.00	1.00	1.00	144451.00	110938.00	61329.00	1.00	62302.00	114240.00	1.00	1.00	1.00	110022.00	1.00	1.00	77474.00	1.00	65918.00	1.00	73722.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	64493.00
Tolazamide	11229.00	11638.00	36793.00	36786.00	54641.00	53316.00	44509.00	39605.00	27903.00	27363.00	13371.00	13404.00	29692.00	28520.00	1.00	1.00	10958.00	11138.00	27124.00	29060.00	47449.00	47562.00	1.00	1.00	9993.00	12202.00	33466.00	33908.00	39881.00	38275.00	27366.00	24848.00	33140.00	33204.00	29991.00	33381.00	11556.00	12755.00	32514.00	35586.00	26326.00	23579.00	22007.00	20559.00	1.00	1.00	29779.00	32307.00	31951.00	34076.00	11500.00	12612.00	37673.00	36256.00
C20 H42 N3 O7	1.00	1.00	16173.00	13531.00	15857.00	11565.00	18019.00	1.00	11245.00	1.00	1.00	9845.00	26595.00	18537.00	16943.00	14992.00	20570.00	19491.00	27567.00	14697.00	53254.00	14419.00	1.00	1.00	14379.00	13583.00	27809.00	1.00	67842.00	1.00	20918.00	38885.00	25363.00	8989.00	1.00	17803.00	8830.00	12202.00	24638.00	15890.00	11891.00	1.00	21458.00	10909.00	1.00	1.00	1.00	1.00	10512.00	10265.00	1.00	11570.00	48556.00	13566.00
3'-HydroxyIndinavir	1.00	1.00	14909.00	10304.00	11453.00	1.00	12480.00	48753.00	11871.00	14720.00	1.00	1.00	20542.00	10298.00	1.00	1.00	14097.00	11693.00	14333.00	1.00	31176.00	1.00	1.00	1.00	10517.00	1.00	30698.00	14354.00	52461.00	59829.00	10636.00	29212.00	15752.00	1.00	1.00	10359.00	1.00	1.00	16088.00	10064.00	11412.00	1.00	17675.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14256.00	1.00	32898.00	1.00
C6 H8 Cl N3 O	144573.00	145409.00	117261.00	117036.00	127497.00	122796.00	123584.00	122827.00	164205.00	148859.00	174337.00	181388.00	142484.00	142124.00	127415.00	131876.00	160106.00	173913.00	120913.00	123199.00	132126.00	130969.00	147821.00	153477.00	163117.00	160852.00	139673.00	145476.00	158541.00	159550.00	155662.00	152172.00	156245.00	148460.00	146245.00	144160.00	161479.00	164179.00	164264.00	164994.00	150731.00	149578.00	131954.00	134037.00	149247.00	145189.00	133999.00	136979.00	142299.00	139244.00	146628.00	155802.00	146695.00	139628.00
C6 H2 N O3 S2	243526.00	248935.00	118703.00	120319.00	133151.00	128724.00	147417.00	146158.00	148688.00	146226.00	221752.00	219853.00	152605.00	151978.00	230838.00	230380.00	217638.00	231057.00	143754.00	147141.00	147273.00	148909.00	249763.00	251776.00	228836.00	226786.00	143155.00	139036.00	140466.00	137164.00	150202.00	150564.00	147600.00	150961.00	163069.00	171970.00	219384.00	224536.00	139698.00	144474.00	154732.00	155370.00	147575.00	145444.00	232366.00	229606.00	156750.00	151996.00	163987.00	159802.00	219116.00	228429.00	144893.00	144421.00
13(S)-HODE Esi-11.346992 :1	135700.00	118104.00	53902.00	55585.00	35042.00	36668.00	31802.00	54936.00	66535.00	71577.00	86683.00	96476.00	57935.00	54520.00	139667.00	122962.00	111905.00	109920.00	91448.00	79172.00	109242.00	101433.00	129069.00	119738.00	152792.00	160215.00	158523.00	100918.00	178547.00	198440.00	101382.00	110790.00	56295.00	35414.00	68268.00	67811.00	103594.00	131480.00	248216.00	235052.00	178180.00	172313.00	221653.00	197871.00	82949.00	91748.00	56303.00	54675.00	66269.00	77613.00	103735.00	89844.00	163909.00	138684.00
C33 H53 N5 O16	1.00	1.00	15735.00	8683.00	18205.00	10288.00	15919.00	50178.00	10055.00	20009.00	1.00	1.00	19627.00	6582.00	1.00	1.00	9183.00	5723.00	19237.00	9924.00	32385.00	5921.00	1.00	1.00	8817.00	4934.00	35897.00	12788.00	54338.00	61216.00	12677.00	39206.00	23461.00	4569.00	4396.00	16575.00	338.00	1.00	22063.00	11859.00	12863.00	1.00	16877.00	3462.00	529.00	1.00	1.00	1.00	4605.00	1.00	9330.00	5414.00	43171.00	9925.00
Kaempferol 3-(3''-acetyl-alpha-L-arabinofuranoside)-7-rhamnoside	43078.00	49436.00	1.00	1.00	1.00	1.00	1.00	1.00	26313.00	26248.00	35535.00	32858.00	1.00	1.00	49175.00	50471.00	47711.00	45424.00	27653.00	27772.00	40183.00	34991.00	53535.00	50192.00	58288.00	61980.00	43387.00	35133.00	48335.00	50316.00	41170.00	43853.00	1.00	1.00	1.00	1.00	48350.00	44545.00	69385.00	67130.00	64353.00	62837.00	73237.00	68825.00	27596.00	28383.00	1.00	1.00	1.00	20566.00	34996.00	33374.00	54814.00	50528.00
C27 H47 N9 O24	1.00	1.00	53263.00	44282.00	58492.00	50329.00	56388.00	48844.00	40988.00	52283.00	14504.00	21524.00	52485.00	42033.00	14800.00	14886.00	28701.00	23872.00	57371.00	48804.00	54999.00	38411.00	17857.00	17500.00	28020.00	23202.00	53437.00	45113.00	57234.00	52982.00	37671.00	52281.00	57894.00	43070.00	34838.00	48809.00	13600.00	19281.00	47037.00	39537.00	42680.00	29866.00	44189.00	28698.00	13819.00	14049.00	32265.00	31466.00	36928.00	36323.00	36819.00	23459.00	52518.00	42785.00
C3 H2 N3 O3 Esi-0.84700006	148420.00	119477.00	117282.00	135785.00	117120.00	176757.00	146995.00	165644.00	158003.00	143284.00	152341.00	159664.00	135559.00	139473.00	123662.00	119732.00	116879.00	149434.00	148995.00	159041.00	138038.00	147328.00	160024.00	158597.00	165464.00	133296.00	170334.00	154370.00	109754.00	148765.00	132205.00	120152.00	134810.00	167655.00	133077.00	144587.00	161708.00	165520.00	152600.00	157062.00	123043.00	142194.00	145385.00	166131.00	183323.00	127617.00	158553.00	165600.00	188051.00	128927.00	166715.00	168164.00	152745.00	168602.00
C20 H5	64175.00	64687.00	21716.00	23301.00	23012.00	21889.00	24216.00	30638.00	10981.00	12861.00	44742.00	40984.00	11361.00	13605.00	57224.00	59285.00	46824.00	47920.00	25502.00	32034.00	27676.00	23705.00	67850.00	68764.00	44714.00	46020.00	24472.00	25528.00	20106.00	20542.00	26672.00	21457.00	24627.00	24193.00	11386.00	10759.00	41399.00	39597.00	23866.00	26132.00	9952.00	10215.00	23112.00	23269.00	49770.00	50154.00	26150.00	8269.00	13249.00	12212.00	39404.00	38734.00	24655.00	27929.00
Phytuberin Esi-13.976994	19726.00	18659.00	81967.00	25767.00	172504.00	37151.00	126293.00	339588.00	81736.00	100054.00	28941.00	21937.00	134933.00	11987.00	18293.00	26140.00	35563.00	37957.00	188435.00	44530.00	257113.00	47773.00	21320.00	20632.00	14997.00	30172.00	218721.00	32860.00	460829.00	438585.00	41410.00	265263.00	150801.00	37325.00	28052.00	97753.00	28333.00	17283.00	98219.00	44279.00	44132.00	12235.00	48651.00	23887.00	22480.00	1.00	16933.00	1.00	13481.00	1.00	63181.00	23836.00	358121.00	35472.00
C28 H55 N16 O3 S	1.00	1.00	1.00	1.00	1.00	1.00	1.00	109137.00	1.00	91869.00	1.00	1.00	53009.00	1.00	1.00	1.00	31508.00	37375.00	107214.00	1.00	148687.00	1.00	1.00	1.00	29646.00	32211.00	59947.00	36677.00	289050.00	274717.00	39737.00	160880.00	44195.00	21767.00	33989.00	27095.00	1.00	1.00	20126.00	23738.00	54111.00	1.00	33858.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	62626.00	25340.00	85398.00	1.00
D1-2-Hydroxymethylethisterone	67984.00	69210.00	62176.00	72284.00	52303.00	63803.00	64060.00	66014.00	61611.00	63527.00	69535.00	69974.00	63889.00	64429.00	63693.00	63135.00	60878.00	51597.00	63287.00	63647.00	59668.00	60124.00	62438.00	66274.00	58296.00	63407.00	58010.00	57630.00	70842.00	65243.00	59316.00	54054.00	60327.00	50352.00	63251.00	63668.00	48433.00	65063.00	59130.00	60508.00	59625.00	60775.00	60884.00	59637.00	62283.00	63220.00	63381.00	54105.00	55710.00	70181.00	55495.00	61694.00	56322.00	53587.00
C3 H2 N4 O4 S	53798.00	59237.00	20464.00	20895.00	23235.00	20632.00	25371.00	24349.00	37977.00	36306.00	51161.00	48558.00	33175.00	35122.00	52257.00	52687.00	54184.00	54038.00	26229.00	30015.00	28252.00	30592.00	50905.00	53738.00	49821.00	49870.00	28109.00	26507.00	23499.00	19971.00	26253.00	27540.00	20460.00	23362.00	31636.00	32104.00	49156.00	47981.00	29353.00	28563.00	29645.00	33717.00	28640.00	27648.00	43453.00	47371.00	43467.00	39978.00	31452.00	34041.00	45216.00	48638.00	25328.00	26723.00
Gly Cys Arg	42938.00	41469.00	42954.00	49305.00	49740.00	48136.00	48628.00	45670.00	45080.00	44498.00	46916.00	41189.00	41044.00	45676.00	48620.00	44077.00	45196.00	47204.00	47475.00	45332.00	45646.00	46827.00	45759.00	44511.00	49422.00	47439.00	47100.00	47319.00	47805.00	45923.00	49461.00	46715.00	46225.00	45703.00	48979.00	45094.00	43112.00	45137.00	50692.00	48243.00	49013.00	47410.00	54238.00	50624.00	45797.00	44945.00	45072.00	41762.00	43560.00	43262.00	47669.00	43493.00	45704.00	46713.00
?-9(10)-EpODE Esi-11.619997	286166.00	285530.00	139582.00	124926.00	111312.00	20964.00	121736.00	44924.00	199184.00	219372.00	42497.00	203986.00	168043.00	156104.00	351280.00	320349.00	318126.00	298854.00	314982.00	52897.00	431163.00	255600.00	260330.00	264309.00	416045.00	386502.00	407192.00	55178.00	595683.00	145855.00	380900.00	487215.00	21361.00	95911.00	149654.00	185850.00	279047.00	295494.00	671446.00	590917.00	493004.00	399068.00	651347.00	486107.00	53007.00	52853.00	111754.00	110082.00	186065.00	182051.00	286198.00	261378.00	671402.00	424044.00
C12 Cl3 N O13 S4	53777.00	53386.00	41772.00	43448.00	45413.00	44627.00	51315.00	50046.00	46915.00	45621.00	57973.00	56988.00	50214.00	49100.00	60845.00	58326.00	55292.00	61615.00	45777.00	44615.00	50624.00	50563.00	58079.00	59496.00	59995.00	59286.00	45383.00	47125.00	43220.00	47098.00	47790.00	48851.00	49009.00	47824.00	55202.00	54639.00	54648.00	58997.00	49766.00	48653.00	50669.00	50178.00	46092.00	46126.00	56072.00	55053.00	48435.00	49174.00	50375.00	49657.00	60643.00	59341.00	45550.00	47733.00
Gal?1-3GlcNAc?-Sp	11236.00	12708.00	13223.00	14457.00	18479.00	16819.00	15680.00	13994.00	16359.00	15864.00	20708.00	20597.00	20473.00	20528.00	18057.00	18236.00	20164.00	20413.00	14145.00	15237.00	13658.00	14833.00	14918.00	16827.00	22318.00	19375.00	26974.00	27164.00	16933.00	19024.00	12322.00	13034.00	20392.00	22326.00	17441.00	17180.00	19996.00	20596.00	14095.00	14542.00	14094.00	12175.00	21515.00	20527.00	56929.00	57386.00	16035.00	17680.00	13883.00	12521.00	14728.00	16567.00	13063.00	13053.00
PE(22:2(13Z,16Z)/0:0)	1.00	1.00	10977.00	1.00	1.00	1.00	13915.00	55447.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13600.00	1.00	24962.00	1.00	1.00	1.00	1.00	1.00	24346.00	10745.00	49280.00	54790.00	1.00	1.00	12644.00	1.00	1.00	1.00	1.00	1.00	11874.00	1.00	11430.00	1.00	11788.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	17350.00	1.00
C31 H41 N12 O9	1.00	1.00	22642.00	19648.00	16128.00	13956.00	19110.00	21262.00	16847.00	17181.00	1.00	1.00	16953.00	13895.00	1.00	1.00	1.00	1.00	20499.00	18710.00	24380.00	18296.00	1.00	1.00	1.00	1.00	24108.00	22510.00	34224.00	30994.00	14298.00	13783.00	22560.00	20357.00	11900.00	12699.00	1.00	1.00	19612.00	16017.00	19564.00	18138.00	18668.00	14349.00	1.00	1.00	14855.00	14579.00	15551.00	16728.00	1.00	1.00	21133.00	15516.00
C4 H6 N6 O4 Esi-1.3840002	139529.00	147621.00	360590.00	348032.00	584045.00	576306.00	442127.00	454053.00	276991.00	282708.00	301576.00	314942.00	154512.00	143550.00	141652.00	143948.00	228908.00	236082.00	217877.00	223971.00	284187.00	290230.00	203379.00	198164.00	211372.00	212653.00	277870.00	277405.00	106601.00	99632.00	131178.00	124351.00	302240.00	314134.00	280361.00	274840.00	88343.00	84364.00	144788.00	149413.00	149050.00	143079.00	135287.00	136202.00	208245.00	228184.00	448962.00	455063.00	394661.00	404272.00	202383.00	203350.00	210366.00	229300.00
C7 H6 N2 O7 S	40332.00	44163.00	52709.00	50272.00	52671.00	51267.00	53093.00	52384.00	45749.00	54983.00	60127.00	57938.00	44300.00	40722.00	52410.00	50361.00	46047.00	42744.00	50214.00	49981.00	48542.00	47111.00	57423.00	54940.00	45886.00	48866.00	47621.00	50767.00	48247.00	49657.00	50070.00	48936.00	50067.00	48611.00	48998.00	46754.00	56998.00	54548.00	45304.00	51007.00	46305.00	46462.00	51785.00	45983.00	45140.00	44485.00	38876.00	50026.00	48373.00	46953.00	51150.00	50474.00	52403.00	58845.00
C32 H65 N3 O17	1.00	1.00	18264.00	14678.00	18071.00	13727.00	15775.00	36846.00	15611.00	15269.00	1.00	1.00	16055.00	12097.00	1.00	1.00	14611.00	12568.00	19238.00	11136.00	34567.00	1.00	1.00	1.00	14807.00	1.00	33788.00	16379.00	43124.00	28763.00	1.00	24315.00	17525.00	1.00	1.00	15546.00	1.00	1.00	24118.00	13074.00	16438.00	1.00	18379.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	21793.00	1.00
methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate Esi-13.752007	1.00	1.00	27881.00	1.00	27909.00	45553.00	30598.00	1.00	65698.00	15721.00	1.00	1.00	10633.00	8842.00	1.00	1.00	1.00	1.00	27919.00	23084.00	38473.00	91263.00	19552.00	17396.00	23405.00	16031.00	28547.00	29727.00	20826.00	1.00	1.00	24668.00	36793.00	1.00	21475.00	29823.00	1.00	1.00	27456.00	1.00	1.00	24925.00	16494.00	30320.00	1.00	1.00	1.00	1.00	22364.00	16854.00	21810.00	1.00	1.00	18522.00
C14 H6 N2 O16 S2 Esi-13.447006	18253.00	25987.00	25531.00	18346.00	71004.00	19451.00	24518.00	23041.00	17661.00	28745.00	23836.00	18982.00	25054.00	19217.00	21261.00	23245.00	27470.00	22187.00	36380.00	30353.00	35280.00	24344.00	26797.00	23794.00	19867.00	22706.00	38913.00	25688.00	36714.00	27271.00	19331.00	36851.00	26099.00	33888.00	16989.00	27226.00	27498.00	28154.00	45623.00	37025.00	38353.00	19479.00	43719.00	30572.00	18173.00	24618.00	20988.00	15095.00	28218.00	16637.00	22805.00	28836.00	40879.00	29860.00
C15 H2 O17	27023.00	23282.00	27854.00	20914.00	27332.00	19291.00	26843.00	24346.00	22430.00	29867.00	32120.00	17738.00	40808.00	21571.00	23138.00	31590.00	40030.00	34345.00	43928.00	32759.00	50570.00	29067.00	29033.00	25592.00	28663.00	27018.00	54962.00	37655.00	49190.00	47152.00	28588.00	45576.00	28142.00	23003.00	33470.00	33861.00	26573.00	33998.00	68293.00	49135.00	47269.00	30925.00	61227.00	37007.00	17798.00	26324.00	27903.00	30197.00	24643.00	43263.00	26886.00	27843.00	68488.00	32682.00
C41 H47 N3 O23	1.00	1.00	45089.00	41807.00	48967.00	45772.00	47628.00	39489.00	38557.00	42911.00	14875.00	19749.00	47108.00	38464.00	15062.00	15874.00	26652.00	22299.00	47594.00	40695.00	48860.00	35248.00	16688.00	16844.00	24537.00	19976.00	46499.00	40269.00	40265.00	40902.00	34711.00	43006.00	47823.00	39646.00	31522.00	42048.00	13017.00	21317.00	41444.00	35009.00	39294.00	28828.00	38561.00	25574.00	12399.00	12741.00	26032.00	28502.00	35458.00	34281.00	33280.00	23551.00	40994.00	33229.00
C28 H63 N29 O4	1.00	1.00	111503.00	60158.00	1.00	1.00	161495.00	50522.00	112033.00	165962.00	1.00	1.00	1.00	76412.00	1.00	1.00	1.00	39428.00	233058.00	118549.00	258452.00	55410.00	1.00	1.00	63372.00	43924.00	227792.00	86363.00	53293.00	593317.00	80769.00	228223.00	22688.00	1.00	41458.00	119868.00	1.00	1.00	195172.00	110642.00	106965.00	38096.00	110764.00	1.00	1.00	1.00	25851.00	28476.00	56682.00	1.00	87111.00	1.00	42741.00	104046.00
C13 H3 Cl3 O5 S3	47403.00	45015.00	21812.00	21196.00	23780.00	23108.00	24781.00	24117.00	29441.00	27491.00	35733.00	44164.00	26480.00	27723.00	42270.00	39048.00	35277.00	36479.00	26544.00	26752.00	25281.00	24123.00	43614.00	43659.00	41484.00	35569.00	23730.00	22549.00	22850.00	21604.00	25699.00	25721.00	22857.00	22608.00	28998.00	29518.00	37629.00	40685.00	27860.00	26513.00	27478.00	23595.00	25484.00	22804.00	43270.00	42730.00	29875.00	26608.00	29428.00	29363.00	38209.00	42289.00	27086.00	25214.00
C6 H4 N O7 S2	48495.00	45080.00	17662.00	14790.00	16082.00	18231.00	20014.00	19744.00	26477.00	24532.00	43064.00	41177.00	26140.00	22204.00	38979.00	39769.00	31804.00	35396.00	19691.00	21226.00	19973.00	19280.00	44665.00	51002.00	41570.00	41815.00	16738.00	18506.00	18424.00	19405.00	19971.00	24299.00	18402.00	20773.00	23380.00	22073.00	41141.00	36385.00	21611.00	20590.00	21267.00	22505.00	20553.00	22928.00	41493.00	40533.00	24803.00	23419.00	26831.00	24295.00	38130.00	39223.00	21835.00	18411.00
C21 H40 N8 O3	1.00	1.00	19481.00	22343.00	25002.00	24185.00	21903.00	40804.00	1.00	15965.00	1.00	1.00	29772.00	15258.00	1.00	1.00	13420.00	1.00	37306.00	17917.00	34107.00	18595.00	12806.00	16356.00	1.00	1.00	33531.00	29725.00	37191.00	36790.00	16755.00	33101.00	25543.00	35759.00	17781.00	18762.00	1.00	10833.00	19671.00	28350.00	14294.00	17299.00	36377.00	13726.00	1.00	1.00	1.00	1.00	15862.00	14791.00	17114.00	12792.00	10561.00	17287.00
(23R)-1?,23,25-trihydroxyvitamin D3 / (23R)-1?,23,25-trihydroxycholecalciferol	1.00	1.00	8261.00	1.00	23934.00	17327.00	11418.00	54077.00	1.00	11806.00	1.00	1.00	27484.00	13614.00	10076.00	10763.00	14497.00	11272.00	14440.00	10596.00	22126.00	1.00	1.00	1.00	15100.00	13071.00	19251.00	1.00	44773.00	47754.00	15239.00	26174.00	21343.00	1.00	9592.00	16219.00	1.00	1.00	13197.00	1.00	1.00	1.00	12160.00	14702.00	12976.00	17966.00	1.00	1.00	8181.00	1.00	13197.00	11738.00	40274.00	8264.00
Taurodeoxycholate	31219.00	33164.00	28369.00	25686.00	33791.00	33356.00	33317.00	28979.00	16221.00	18172.00	10812.00	10847.00	1.00	1.00	1.00	1.00	10466.00	11143.00	24444.00	27553.00	1.00	1.00	1.00	1.00	1.00	1.00	12337.00	11257.00	16639.00	18451.00	19518.00	17222.00	11315.00	10368.00	38423.00	38663.00	1.00	1.00	54298.00	55007.00	17123.00	19570.00	17953.00	17296.00	13360.00	14276.00	1.00	1.00	15523.00	15739.00	1.00	1.00	1.00	1.00
C50 H86 N4 S2 Esi-13.4500065	31023.00	27936.00	66999.00	67632.00	51187.00	70488.00	88245.00	68225.00	121335.00	104400.00	60850.00	56113.00	82458.00	59973.00	50734.00	34433.00	57174.00	48858.00	107081.00	116818.00	1.00	111093.00	49341.00	47977.00	63783.00	52675.00	83720.00	162516.00	17548.00	1.00	156914.00	45690.00	1.00	67840.00	46510.00	98750.00	32258.00	33354.00	129195.00	84350.00	97333.00	57381.00	135704.00	71587.00	48214.00	30519.00	27575.00	35376.00	56672.00	7813.00	100379.00	57626.00	216171.00	77485.00
C26 H28 N6 O2	37774.00	38033.00	47449.00	48485.00	51022.00	52379.00	55248.00	54714.00	46416.00	42632.00	44045.00	46479.00	50581.00	47663.00	44749.00	44586.00	46495.00	48096.00	47582.00	48778.00	46690.00	50171.00	46070.00	46745.00	44924.00	46046.00	50563.00	54488.00	52047.00	51397.00	50012.00	49601.00	53432.00	49167.00	51999.00	52163.00	45034.00	47344.00	54024.00	54150.00	51325.00	51064.00	52043.00	52211.00	47337.00	48022.00	49619.00	52081.00	52314.00	51844.00	47554.00	48982.00	52805.00	54422.00
8-Oxodeoxycoformycin	29358.00	34055.00	16401.00	15465.00	23385.00	23155.00	23459.00	24313.00	21694.00	22226.00	21555.00	23102.00	19960.00	21894.00	21044.00	20680.00	26686.00	28957.00	25146.00	24724.00	30651.00	28519.00	26257.00	28562.00	37246.00	32341.00	24253.00	23621.00	52538.00	47360.00	27921.00	30025.00	22336.00	23586.00	27828.00	27824.00	51558.00	51060.00	38567.00	41072.00	31171.00	33525.00	48397.00	48411.00	28106.00	27532.00	26041.00	24116.00	27338.00	26681.00	42217.00	45593.00	38219.00	41155.00
Trinexapac-ethyl Esi-8.647001	127091.00	122970.00	133418.00	133163.00	138161.00	120377.00	127968.00	124999.00	133177.00	135994.00	130554.00	121128.00	115822.00	122379.00	131377.00	123268.00	126541.00	128811.00	128681.00	131291.00	132728.00	130541.00	124524.00	122882.00	118497.00	118336.00	135519.00	127312.00	127886.00	121069.00	127207.00	123139.00	135327.00	128880.00	137716.00	129476.00	135957.00	120942.00	128322.00	132924.00	118787.00	134299.00	123120.00	126621.00	123553.00	128778.00	127332.00	132248.00	123143.00	125808.00	123479.00	126833.00	124160.00	118921.00
C47 H80 N4 S2 Esi-13.4509945	39280.00	27083.00	27570.00	37552.00	33923.00	34074.00	17596.00	1.00	1.00	106638.00	24204.00	35653.00	1.00	35547.00	61459.00	39782.00	50756.00	39575.00	30072.00	80910.00	1.00	79422.00	52652.00	20359.00	42788.00	27036.00	1.00	54365.00	66319.00	318821.00	1.00	110774.00	1.00	48189.00	31913.00	59449.00	21718.00	30799.00	92907.00	35363.00	64504.00	44686.00	33483.00	52815.00	23149.00	20730.00	25075.00	21262.00	14552.00	19625.00	19510.00	47933.00	97724.00	56997.00
C3 O3 S2	17025.00	15216.00	20307.00	25400.00	34807.00	32085.00	24243.00	28607.00	28077.00	34074.00	24726.00	30100.00	30871.00	35025.00	21285.00	30082.00	24613.00	23825.00	40521.00	47864.00	25088.00	30161.00	22545.00	24422.00	26297.00	25703.00	35581.00	32776.00	33130.00	41296.00	31099.00	46566.00	29183.00	35446.00	29777.00	41901.00	25975.00	26968.00	36380.00	34573.00	21141.00	31109.00	26942.00	31310.00	29326.00	34767.00	23121.00	27930.00	26570.00	30380.00	28189.00	31883.00	33494.00	29065.00
Deoxycytidine Esi-1.5419999	48360.00	49856.00	40047.00	46855.00	40454.00	41749.00	47127.00	46343.00	39299.00	42641.00	42891.00	42257.00	50665.00	53968.00	43182.00	47577.00	50535.00	47105.00	40530.00	40501.00	44326.00	43981.00	39948.00	37611.00	42949.00	42124.00	47610.00	46706.00	42236.00	41453.00	50908.00	50202.00	45086.00	47208.00	45715.00	46205.00	35838.00	38164.00	48290.00	48321.00	54375.00	51749.00	44470.00	44403.00	50812.00	52967.00	43343.00	41356.00	44745.00	41589.00	39752.00	39519.00	41667.00	37665.00
C5 H3 N3 O2 S3	15734.00	36988.00	27126.00	17620.00	78833.00	21702.00	61939.00	13149.00	66458.00	23002.00	20491.00	38633.00	15803.00	1.00	125738.00	14434.00	48113.00	26163.00	1.00	23201.00	27140.00	95363.00	13295.00	30148.00	272803.00	15051.00	52263.00	182430.00	1.00	91337.00	35252.00	187115.00	18423.00	16747.00	1.00	46184.00	77308.00	35106.00	34830.00	153727.00	216371.00	52515.00	44017.00	16370.00	20314.00	39375.00	13165.00	1.00	18400.00	62109.00	35929.00	39182.00	22340.00	400239.00
C39 H57 O7 S	1.00	1.00	31944.00	25177.00	31741.00	23075.00	27608.00	101155.00	22380.00	33672.00	1.00	1.00	35321.00	20106.00	1.00	1.00	24685.00	20482.00	31461.00	18313.00	65676.00	24384.00	1.00	1.00	21376.00	19084.00	60363.00	25221.00	162357.00	184899.00	29915.00	66688.00	60599.00	13353.00	14581.00	29572.00	1.00	1.00	37313.00	22617.00	24701.00	1.00	31517.00	11634.00	1.00	1.00	1.00	10924.00	12393.00	1.00	31729.00	1.00	76513.00	20318.00
C28 H40 N23 O11	1.00	1.00	13677.00	1.00	34482.00	19349.00	32928.00	55897.00	11214.00	22781.00	1.00	1.00	19752.00	1.00	1.00	1.00	1.00	1.00	47246.00	22132.00	47560.00	1.00	1.00	1.00	1.00	1.00	38217.00	12444.00	44298.00	39824.00	1.00	30967.00	36198.00	1.00	1.00	25582.00	1.00	1.00	26907.00	15097.00	18073.00	1.00	19030.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10001.00	1.00	39021.00	1.00
C6 H3 Cl3 S5	41069.00	38140.00	44307.00	46168.00	52512.00	46735.00	49482.00	52866.00	41905.00	42245.00	47699.00	48519.00	50824.00	49151.00	50217.00	47407.00	43971.00	50826.00	45425.00	47786.00	48952.00	47977.00	43012.00	44118.00	40500.00	41585.00	48469.00	46452.00	47767.00	47667.00	47455.00	45011.00	48676.00	48668.00	48903.00	50332.00	44891.00	41423.00	49525.00	49469.00	48288.00	49550.00	50483.00	47564.00	49905.00	49017.00	45838.00	43202.00	46520.00	44693.00	45247.00	48902.00	48940.00	53036.00
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-octanoate Esi-9.640996	66765.00	62707.00	63338.00	70209.00	46255.00	50103.00	65077.00	65311.00	66569.00	48920.00	66578.00	67814.00	49216.00	71176.00	66694.00	55222.00	77009.00	74854.00	64436.00	70690.00	54578.00	54605.00	50159.00	53982.00	52597.00	69911.00	53101.00	70984.00	54605.00	53323.00	51670.00	49690.00	54369.00	51929.00	53984.00	72188.00	65339.00	70457.00	75866.00	71573.00	72799.00	69470.00	68616.00	70439.00	53063.00	72301.00	66195.00	52640.00	67410.00	73611.00	54416.00	53508.00	69063.00	52343.00
C17 H6 N2 O18 S2	16663.00	16223.00	21307.00	12681.00	16759.00	16094.00	17003.00	1.00	15359.00	19277.00	12004.00	16650.00	37373.00	14972.00	21143.00	20994.00	21394.00	20593.00	29134.00	23252.00	22270.00	16631.00	17886.00	15112.00	23951.00	16681.00	27610.00	19963.00	20128.00	13457.00	16115.00	27669.00	40584.00	21191.00	16410.00	15111.00	18049.00	31415.00	29623.00	25980.00	25328.00	18933.00	29198.00	22376.00	21106.00	24466.00	21321.00	21169.00	16450.00	19711.00	21820.00	16918.00	26934.00	19978.00
C29 H45 N11 O14	1.00	1.00	21552.00	16007.00	25886.00	20154.00	25882.00	52490.00	16689.00	21627.00	1.00	1.00	22264.00	16047.00	1.00	1.00	1.00	1.00	30620.00	20638.00	39304.00	14785.00	1.00	1.00	1.00	1.00	35031.00	17340.00	54403.00	53365.00	13891.00	25316.00	26890.00	16352.00	1.00	19168.00	1.00	1.00	20249.00	14953.00	18499.00	1.00	19979.00	1.00	1.00	1.00	1.00	1.00	12707.00	1.00	1.00	1.00	39316.00	16239.00
C26 H22 N6 O2	10502.00	1.00	12198.00	11960.00	15869.00	14654.00	13966.00	13054.00	15873.00	13738.00	22054.00	22014.00	13813.00	16550.00	17080.00	16223.00	19170.00	18865.00	14823.00	12363.00	11705.00	12373.00	15935.00	15814.00	19505.00	19511.00	25063.00	24836.00	15694.00	15392.00	1.00	1.00	16315.00	17043.00	14623.00	14177.00	18378.00	18407.00	10276.00	10775.00	10833.00	10798.00	18191.00	18149.00	66354.00	59205.00	14965.00	14720.00	1.00	1.00	12246.00	13348.00	1.00	10589.00
C22 H40 N7 O3 Esi-13.752008 :1	37934.00	133643.00	170785.00	150516.00	209571.00	196013.00	207056.00	1.00	255267.00	187450.00	48338.00	131695.00	83139.00	140472.00	103060.00	21302.00	149862.00	99172.00	225063.00	167163.00	240491.00	255918.00	149827.00	165429.00	111508.00	78703.00	168088.00	172183.00	1.00	1.00	174846.00	212028.00	209622.00	189126.00	124047.00	187140.00	49444.00	115892.00	155460.00	149098.00	197360.00	102424.00	186094.00	115442.00	54072.00	53527.00	102554.00	85373.00	174610.00	143066.00	149925.00	126830.00	1.00	81342.00
C30 H58 N6 O2	1.00	1.00	1.00	1.00	8706.00	1.00	1.00	29673.00	1.00	8813.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	19131.00	9824.00	23519.00	1.00	1.00	1.00	1.00	1.00	24851.00	9880.00	51446.00	54695.00	1.00	24887.00	9656.00	1.00	1.00	9919.00	1.00	1.00	26819.00	14366.00	12586.00	1.00	18553.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	8967.00	1.00	44713.00	9850.00
2-O-Caffeoylglucarate	49999.00	51335.00	53987.00	57377.00	62636.00	61021.00	54261.00	52174.00	49659.00	51882.00	49377.00	50333.00	49374.00	50523.00	60400.00	63022.00	47067.00	46020.00	46862.00	51641.00	50366.00	46660.00	49060.00	48010.00	49310.00	49961.00	48582.00	48292.00	49191.00	52620.00	63837.00	61734.00	57528.00	54473.00	55858.00	54325.00	58896.00	57201.00	52667.00	50953.00	55692.00	56650.00	51887.00	53638.00	57475.00	56436.00	42540.00	44355.00	48854.00	52237.00	50310.00	48896.00	60888.00	61004.00
13(S)-HODE Esi-11.9749975	81807.00	83758.00	78535.00	1.00	70809.00	72486.00	19687.00	60544.00	27087.00	30229.00	64072.00	69716.00	51512.00	1.00	85687.00	92318.00	96723.00	85452.00	47429.00	37087.00	117928.00	30269.00	82263.00	83203.00	117543.00	114331.00	65305.00	33673.00	156542.00	196389.00	122680.00	102621.00	86877.00	58633.00	46694.00	29230.00	41672.00	99583.00	84243.00	69165.00	105938.00	90376.00	70663.00	110374.00	44760.00	97001.00	50323.00	49699.00	55014.00	61165.00	97334.00	96638.00	148472.00	56061.00
(3R)-3-isopropenyl-6-oxoheptanoic acid	50017.00	38543.00	41072.00	83959.00	40262.00	21131.00	34077.00	73617.00	37252.00	42940.00	43312.00	43107.00	54366.00	53141.00	58720.00	62105.00	78280.00	76644.00	42229.00	39577.00	88577.00	65210.00	40698.00	62332.00	65272.00	100818.00	67291.00	56748.00	56753.00	57092.00	77265.00	70640.00	44823.00	42014.00	52583.00	47276.00	48394.00	57605.00	119568.00	49818.00	47538.00	50189.00	75099.00	70869.00	136598.00	29211.00	38379.00	24165.00	37910.00	47711.00	39607.00	56848.00	61510.00	52647.00
Furfural diethyl acetal Esi-7.721994	34101.00	30642.00	76252.00	41849.00	52409.00	56149.00	40079.00	47797.00	44525.00	31774.00	27290.00	55704.00	42972.00	59716.00	46390.00	67384.00	80126.00	44129.00	45555.00	43503.00	53134.00	52145.00	58403.00	49555.00	89762.00	62747.00	55373.00	52243.00	53966.00	59420.00	54892.00	86637.00	32830.00	45790.00	41514.00	58763.00	47775.00	31308.00	61751.00	43166.00	52889.00	47901.00	42411.00	49568.00	55126.00	75790.00	43699.00	46994.00	42456.00	39021.00	39835.00	92733.00	63108.00	55958.00
Indole-3-carboxaldehyde	24309.00	28011.00	27801.00	35271.00	37473.00	37008.00	36441.00	45103.00	27672.00	27372.00	33185.00	33501.00	27857.00	25032.00	39979.00	41523.00	24136.00	25960.00	52344.00	51522.00	35937.00	31867.00	30935.00	33935.00	25735.00	28276.00	44563.00	42259.00	35233.00	39953.00	31203.00	35326.00	47621.00	39524.00	34237.00	36619.00	28687.00	30398.00	33098.00	32185.00	28449.00	27756.00	27302.00	24792.00	32609.00	33173.00	33103.00	32093.00	39727.00	35043.00	28950.00	30590.00	36678.00	34357.00
Lys Pro His Esi-11.620996	33012.00	33667.00	11784.00	12969.00	1.00	1.00	1.00	13458.00	16197.00	18339.00	23222.00	20964.00	12755.00	14073.00	38533.00	39445.00	36861.00	37234.00	25903.00	21263.00	40201.00	23734.00	31475.00	30906.00	47744.00	45780.00	40475.00	28494.00	52337.00	55922.00	38022.00	46023.00	11468.00	9667.00	14019.00	15498.00	30873.00	30218.00	70916.00	56256.00	53060.00	42542.00	64654.00	52954.00	20072.00	19868.00	10460.00	10897.00	16813.00	14685.00	29965.00	26405.00	62087.00	39705.00
C5 H9 N7 O2 Esi-2.2190008	42899.00	45156.00	41625.00	40731.00	50735.00	52210.00	52959.00	52078.00	73057.00	70120.00	76594.00	80622.00	36838.00	41846.00	52683.00	52802.00	47506.00	46204.00	60874.00	61942.00	52236.00	54800.00	64546.00	57382.00	50098.00	53836.00	72513.00	72898.00	50004.00	51518.00	47028.00	52078.00	53907.00	55985.00	60340.00	58645.00	61833.00	61307.00	69607.00	74848.00	61109.00	59728.00	59131.00	56787.00	51342.00	60342.00	73062.00	77870.00	72581.00	67859.00	78725.00	81010.00	68509.00	70619.00
C27 H45 O4	50575.00	45267.00	45376.00	65388.00	60994.00	47554.00	50496.00	48523.00	56881.00	51808.00	45748.00	66813.00	48553.00	47249.00	62070.00	58169.00	51555.00	53034.00	52381.00	67160.00	55711.00	76995.00	56846.00	42609.00	63896.00	54860.00	44309.00	53379.00	51582.00	48762.00	67264.00	46509.00	48495.00	64662.00	53998.00	52060.00	59372.00	57176.00	80557.00	81393.00	76926.00	64865.00	41313.00	65935.00	48542.00	40679.00	48728.00	64023.00	63428.00	45847.00	51985.00	48786.00	59774.00	49734.00
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol Esi-13.44399	15608.00	16653.00	22243.00	17154.00	31764.00	20457.00	25414.00	47127.00	34282.00	37014.00	13061.00	17542.00	34252.00	16423.00	15161.00	12958.00	25648.00	21429.00	60615.00	32907.00	62605.00	22645.00	17005.00	16673.00	22720.00	20159.00	85428.00	38162.00	87086.00	70631.00	42079.00	63390.00	35658.00	20047.00	17286.00	37613.00	12250.00	16254.00	67144.00	51047.00	48236.00	22104.00	65200.00	26360.00	13175.00	12817.00	10710.00	12272.00	15529.00	14014.00	32817.00	26087.00	77078.00	33502.00
6-Hydroxygenistein	29533.00	27981.00	1.00	1.00	11946.00	9898.00	19557.00	21028.00	33149.00	31407.00	31686.00	33526.00	23881.00	24298.00	24601.00	24900.00	32005.00	35179.00	19569.00	21396.00	26537.00	25644.00	29393.00	29807.00	36870.00	37175.00	26453.00	26011.00	23404.00	24055.00	27819.00	27488.00	19078.00	18468.00	32051.00	33178.00	33712.00	38285.00	29737.00	29278.00	29878.00	28795.00	26999.00	26457.00	33562.00	32208.00	31895.00	29705.00	34881.00	37274.00	41118.00	46527.00	25372.00	28303.00
C8 H9 O9 S	17612.00	16562.00	16364.00	15202.00	32331.00	34480.00	18231.00	15130.00	13920.00	12215.00	10579.00	10281.00	1.00	1.00	35082.00	33572.00	16748.00	15609.00	17196.00	18177.00	22240.00	25208.00	16336.00	15085.00	1.00	1.00	20392.00	22236.00	49337.00	50016.00	20379.00	21647.00	29137.00	31636.00	17345.00	14250.00	15134.00	13942.00	14434.00	13045.00	22517.00	21570.00	23294.00	26637.00	24992.00	27134.00	28594.00	25549.00	14032.00	15347.00	11829.00	11816.00	10923.00	12170.00
C27 H48 N16 O2	52252.00	51344.00	51071.00	51195.00	51563.00	51494.00	50787.00	49026.00	47260.00	51105.00	53149.00	45682.00	46904.00	52313.00	52084.00	52304.00	52491.00	51632.00	49404.00	52770.00	49591.00	50304.00	51027.00	50006.00	48692.00	47966.00	49136.00	50582.00	48988.00	50468.00	47851.00	48340.00	49490.00	52713.00	47647.00	51087.00	49989.00	51101.00	52364.00	54299.00	54279.00	53896.00	52714.00	49856.00	50794.00	49594.00	50767.00	49414.00	46534.00	47292.00	48596.00	50933.00	47740.00	50927.00
C23 H55 N12 O13	1.00	1.00	14883.00	12380.00	16980.00	12764.00	16095.00	62446.00	11994.00	17721.00	1.00	1.00	18425.00	1.00	1.00	1.00	1.00	1.00	24447.00	15053.00	34593.00	1.00	1.00	1.00	1.00	1.00	36162.00	13399.00	62157.00	64839.00	1.00	24391.00	25299.00	1.00	1.00	16133.00	1.00	1.00	19377.00	12782.00	14864.00	1.00	15972.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	30824.00	1.00
C23 H44 N7 O5	57003.00	65226.00	59831.00	43883.00	69266.00	45261.00	54878.00	103099.00	58347.00	60243.00	51226.00	77454.00	55791.00	63476.00	92584.00	71051.00	77014.00	58792.00	79729.00	41521.00	59437.00	62022.00	115979.00	54497.00	75640.00	64744.00	60109.00	63032.00	62931.00	55355.00	49378.00	64377.00	56803.00	71322.00	77728.00	51576.00	55735.00	58509.00	43183.00	63639.00	56602.00	57298.00	72865.00	73010.00	59677.00	65624.00	178503.00	81627.00	52731.00	88535.00	61475.00	70023.00	62655.00	63762.00
C13 H17 O4	54602.00	53464.00	52246.00	51445.00	52554.00	49145.00	56274.00	54438.00	54073.00	53325.00	54575.00	54628.00	53788.00	51079.00	55671.00	54185.00	53854.00	54769.00	53099.00	55724.00	55739.00	49723.00	50587.00	51082.00	52752.00	51975.00	49334.00	50423.00	49929.00	52669.00	52574.00	51922.00	50733.00	50822.00	53040.00	52038.00	48889.00	52882.00	50623.00	52095.00	53359.00	53403.00	54636.00	51519.00	54338.00	54796.00	46346.00	47775.00	50171.00	53229.00	55458.00	56969.00	52693.00	49613.00
3-(3,4-Dihydroxyphenyl)lactate Esi-4.112	19563.00	23164.00	13066.00	15398.00	26851.00	27935.00	23294.00	23171.00	28194.00	25547.00	31357.00	32099.00	14985.00	1.00	23329.00	22671.00	13887.00	12167.00	24442.00	26545.00	15655.00	17575.00	52874.00	52931.00	22723.00	22354.00	34677.00	28737.00	21848.00	21907.00	17843.00	18055.00	21533.00	18955.00	26601.00	24314.00	34292.00	30950.00	24003.00	28964.00	22468.00	22526.00	18103.00	16992.00	19671.00	20277.00	30790.00	31257.00	26045.00	28034.00	34248.00	38503.00	27666.00	21477.00
C14 H Cl3 N5 O3 S5 Esi-0.8450003	158052.00	166133.00	85117.00	84299.00	89695.00	87391.00	99807.00	99518.00	102271.00	99822.00	147698.00	149401.00	103638.00	101940.00	150349.00	149319.00	146251.00	156489.00	89701.00	94753.00	100086.00	95332.00	163543.00	160379.00	158442.00	156414.00	93351.00	100189.00	100743.00	92837.00	109487.00	104329.00	95711.00	98557.00	116821.00	120308.00	148640.00	144083.00	98451.00	98380.00	104462.00	104559.00	100694.00	99670.00	152987.00	152528.00	102066.00	110141.00	104341.00	108831.00	150163.00	155596.00	98244.00	98955.00
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid Esi-8.378999 :1	152608.00	151008.00	68191.00	67673.00	77473.00	77075.00	58933.00	60702.00	81128.00	83242.00	117021.00	118142.00	89421.00	98761.00	217753.00	216340.00	133739.00	137747.00	166632.00	164345.00	130623.00	133023.00	154487.00	153752.00	181005.00	187152.00	143572.00	138490.00	148891.00	151470.00	220252.00	220815.00	62593.00	57586.00	111516.00	114729.00	189234.00	190358.00	282821.00	306123.00	197664.00	191200.00	248664.00	245317.00	229538.00	223657.00	70953.00	72892.00	130369.00	132102.00	175757.00	179976.00	242123.00	246334.00
C28 H51 N23 S	1.00	1.00	55721.00	32677.00	90919.00	61400.00	57737.00	24592.00	34881.00	15151.00	1.00	1.00	12893.00	32201.00	1.00	1.00	29028.00	22537.00	12847.00	43962.00	22025.00	24259.00	1.00	1.00	23928.00	16871.00	13640.00	55548.00	34983.00	228270.00	58908.00	20067.00	15019.00	32781.00	28643.00	83562.00	1.00	1.00	10612.00	36320.00	35487.00	1.00	45419.00	1.00	1.00	1.00	1.00	1.00	28611.00	22970.00	16486.00	27852.00	30685.00	38778.00
2-amino-4-cyano-butanoic acid	43085.00	42734.00	46183.00	46346.00	43022.00	44576.00	41185.00	44496.00	47924.00	48058.00	57131.00	52920.00	54498.00	52007.00	69671.00	50564.00	40270.00	55043.00	51787.00	54030.00	49584.00	51128.00	67938.00	64512.00	54032.00	49735.00	52951.00	52094.00	66746.00	66243.00	71610.00	54679.00	41860.00	57118.00	45875.00	53630.00	51539.00	60221.00	61216.00	65568.00	54535.00	49824.00	54153.00	51561.00	53652.00	47499.00	48767.00	51887.00	47123.00	47842.00	57735.00	46863.00	63434.00	58210.00
CI Pigment Red 3	45033.00	42465.00	172971.00	168942.00	186353.00	184254.00	161334.00	154924.00	25484.00	27500.00	10923.00	13311.00	18699.00	19294.00	35007.00	34478.00	9856.00	10711.00	122911.00	122471.00	173385.00	171089.00	38415.00	37647.00	14190.00	11316.00	185267.00	186722.00	145021.00	144284.00	119817.00	122495.00	155424.00	157536.00	33059.00	30317.00	13303.00	14191.00	132193.00	28148.00	23626.00	25933.00	114762.00	116246.00	49032.00	50758.00	33906.00	167648.00	33078.00	35483.00	14095.00	13893.00	171904.00	172157.00
Glycine	35534.00	37466.00	37288.00	41781.00	42485.00	41864.00	39395.00	37893.00	43395.00	41609.00	50211.00	49846.00	46694.00	47764.00	31512.00	32364.00	40721.00	41139.00	38328.00	31837.00	37460.00	37206.00	33956.00	34977.00	47788.00	45896.00	48793.00	55760.00	59787.00	61572.00	51400.00	51747.00	59275.00	58820.00	40289.00	36478.00	46368.00	42785.00	44340.00	44610.00	48077.00	47054.00	50374.00	44980.00	38540.00	38719.00	42777.00	39980.00	47781.00	45271.00	39811.00	38867.00	44526.00	44661.00
C3 H4 O2 Esi-1.2680001	55881.00	58915.00	59751.00	63940.00	75843.00	80513.00	60159.00	43721.00	57470.00	66994.00	55033.00	40115.00	57847.00	64594.00	67296.00	50168.00	85829.00	60763.00	66692.00	39821.00	61870.00	62336.00	53346.00	67987.00	69263.00	63436.00	55048.00	56380.00	65932.00	67203.00	51705.00	53850.00	65300.00	62514.00	71324.00	50952.00	49678.00	48790.00	58487.00	55137.00	66871.00	75328.00	83142.00	66621.00	52360.00	48472.00	73224.00	100231.00	48856.00	49840.00	51486.00	86255.00	58975.00	71506.00
C3 H6 N2 O S2	64062.00	108372.00	41778.00	42583.00	18040.00	39188.00	33909.00	36600.00	35557.00	39627.00	62836.00	63440.00	31290.00	27412.00	63628.00	65327.00	60274.00	67177.00	25729.00	59335.00	32289.00	53624.00	61437.00	61569.00	68428.00	64236.00	23122.00	25991.00	27753.00	28285.00	39549.00	36741.00	24479.00	20735.00	37333.00	37878.00	61574.00	62929.00	33718.00	29821.00	29747.00	28943.00	26189.00	28608.00	64168.00	67193.00	29663.00	36520.00	36686.00	34530.00	66599.00	61727.00	26978.00	55984.00
CAY10398	16996.00	16239.00	20382.00	24211.00	1.00	22439.00	14896.00	1.00	24100.00	26576.00	25409.00	26888.00	28138.00	34496.00	23506.00	24395.00	21838.00	20163.00	20899.00	24894.00	37004.00	34953.00	26345.00	28459.00	27903.00	29226.00	32980.00	28188.00	34541.00	1.00	35643.00	1.00	39154.00	33541.00	36038.00	22404.00	23858.00	14437.00	38581.00	28308.00	33302.00	38279.00	30577.00	32342.00	23792.00	20205.00	26406.00	22721.00	17861.00	21876.00	27994.00	26735.00	1.00	35430.00
Sulfaphenazole	14666.00	13281.00	20775.00	20861.00	24761.00	20952.00	27221.00	48668.00	31265.00	27903.00	15003.00	15817.00	32927.00	20370.00	12212.00	10867.00	21683.00	18296.00	37599.00	20708.00	33282.00	23476.00	16377.00	17001.00	20310.00	17784.00	36093.00	21516.00	54901.00	54400.00	22590.00	28025.00	34250.00	18290.00	18596.00	30451.00	14615.00	16868.00	28795.00	20472.00	30986.00	16613.00	25930.00	13409.00	14758.00	13328.00	15526.00	12196.00	17005.00	18196.00	24061.00	22364.00	51108.00	23899.00
Tephcalostan B	48409.00	50485.00	1.00	1.00	1.00	1.00	11388.00	12097.00	26743.00	26465.00	46383.00	44221.00	21255.00	23104.00	39379.00	40075.00	44057.00	44143.00	11867.00	12321.00	15294.00	12139.00	46484.00	47229.00	51573.00	48850.00	11221.00	14914.00	13503.00	13797.00	20089.00	20377.00	11497.00	12142.00	25843.00	24593.00	45757.00	48161.00	17697.00	20140.00	23695.00	21695.00	19150.00	20504.00	47279.00	46134.00	22494.00	23053.00	28764.00	29197.00	50107.00	46664.00	14783.00	15438.00
C29 H37 N20 O15	1.00	1.00	36877.00	35531.00	46624.00	44906.00	47499.00	43474.00	40333.00	43327.00	18366.00	17726.00	38113.00	37184.00	15061.00	14292.00	15244.00	13457.00	50590.00	47982.00	51587.00	40307.00	16783.00	17270.00	18612.00	17494.00	45738.00	39859.00	53823.00	50952.00	32256.00	39245.00	48612.00	42635.00	33143.00	38031.00	13908.00	14392.00	44541.00	42148.00	41441.00	38124.00	40040.00	34829.00	1.00	1.00	36763.00	35871.00	40104.00	39130.00	15432.00	10899.00	48283.00	40565.00
Oxolinic Acid	39004.00	38214.00	31580.00	32622.00	32424.00	32428.00	28857.00	30590.00	33482.00	32880.00	47330.00	49519.00	39954.00	38678.00	33122.00	31853.00	25530.00	25973.00	28711.00	31398.00	25626.00	24857.00	29754.00	33075.00	31246.00	30911.00	38819.00	38347.00	34884.00	34431.00	31921.00	31324.00	36792.00	40152.00	28050.00	28348.00	34701.00	34108.00	32815.00	34216.00	39527.00	38208.00	30987.00	33057.00	30719.00	31642.00	30711.00	32388.00	35566.00	36522.00	32259.00	34836.00	35399.00	31911.00
Picrotoxinin	14316.00	13095.00	20279.00	19735.00	31297.00	28371.00	33534.00	30713.00	31173.00	31365.00	23392.00	21752.00	25905.00	24350.00	11821.00	10015.00	21947.00	19800.00	30815.00	30518.00	39663.00	39920.00	10791.00	12070.00	22050.00	22070.00	30723.00	33311.00	26814.00	27475.00	29025.00	28826.00	31954.00	34954.00	42390.00	40879.00	19510.00	21155.00	37071.00	36822.00	27107.00	26810.00	30047.00	28114.00	21137.00	17916.00	46970.00	49788.00	40216.00	41384.00	28463.00	27437.00	34771.00	32241.00
C9 H12 N4 O2 S	10572.00	11980.00	13458.00	11426.00	21921.00	16801.00	15980.00	34697.00	17381.00	17033.00	1.00	11888.00	16166.00	13532.00	1.00	8365.00	13345.00	11155.00	24050.00	18714.00	26488.00	14964.00	13935.00	11223.00	11800.00	12926.00	25000.00	16098.00	39521.00	42517.00	17851.00	24321.00	23140.00	16080.00	12576.00	19408.00	11147.00	11464.00	19814.00	11129.00	13765.00	12097.00	17925.00	10659.00	10762.00	9170.00	1.00	12410.00	13004.00	13325.00	13877.00	13102.00	36687.00	17389.00
C14 H4 Cl2 N O7 S4	48060.00	46690.00	34879.00	36561.00	39030.00	38808.00	41346.00	41816.00	38033.00	38575.00	45578.00	47294.00	39515.00	41479.00	45632.00	48187.00	47116.00	50526.00	34485.00	37218.00	41247.00	42325.00	50403.00	50060.00	51237.00	49731.00	39493.00	41348.00	35454.00	38243.00	38270.00	40063.00	40136.00	40996.00	44251.00	44729.00	49824.00	47491.00	38518.00	36801.00	42423.00	40903.00	37709.00	38991.00	48526.00	49477.00	41269.00	39704.00	44917.00	40971.00	49557.00	47416.00	39230.00	40022.00
C30 H65 N14	19738.00	19285.00	50034.00	48076.00	48430.00	47856.00	47635.00	47836.00	34838.00	34084.00	28294.00	29201.00	40267.00	40103.00	27795.00	31626.00	28329.00	30106.00	42889.00	44812.00	41791.00	40088.00	29626.00	26642.00	28598.00	30164.00	44291.00	45628.00	43539.00	45462.00	44245.00	44777.00	44788.00	39703.00	41894.00	39166.00	31784.00	27797.00	43896.00	46036.00	45893.00	43215.00	45328.00	47064.00	28158.00	28576.00	40678.00	41090.00	37960.00	38246.00	31009.00	32920.00	48392.00	48477.00
(ѩ-Goniothalesdiol	47932.00	48855.00	48911.00	51334.00	45690.00	45826.00	48607.00	38929.00	46286.00	43631.00	47867.00	45818.00	46169.00	44203.00	48834.00	48411.00	46121.00	51660.00	48942.00	49365.00	46890.00	47129.00	49312.00	46750.00	41183.00	45686.00	46891.00	50298.00	41484.00	42642.00	47397.00	45942.00	53007.00	52914.00	51561.00	48952.00	51531.00	49561.00	49803.00	50892.00	49833.00	48526.00	48722.00	47871.00	50375.00	51498.00	46889.00	51600.00	45422.00	50467.00	51876.00	55832.00	48863.00	53431.00
6-Cyano-7-nitroquinoxaline-2,3-dione	51952.00	53444.00	1.00	1.00	1.00	1.00	1.00	1.00	22488.00	21069.00	44996.00	44171.00	22970.00	21211.00	53869.00	53243.00	42609.00	43621.00	9144.00	9928.00	1.00	1.00	56688.00	55794.00	41745.00	41867.00	1.00	1.00	10016.00	11486.00	16601.00	16001.00	1.00	1.00	20923.00	17934.00	45459.00	42884.00	14194.00	13569.00	16537.00	18582.00	14511.00	16415.00	51641.00	52098.00	12954.00	15639.00	18324.00	19765.00	39163.00	41202.00	1.00	9695.00
3-Epihydroxymugineic acid Esi-6.0530005	1.00	13489.00	15205.00	16965.00	18310.00	19576.00	16383.00	17602.00	15104.00	15574.00	20702.00	17635.00	17656.00	18445.00	17702.00	19213.00	21012.00	22803.00	16148.00	17935.00	15954.00	15469.00	20083.00	17378.00	20455.00	21938.00	26933.00	24702.00	18412.00	17675.00	13076.00	14423.00	24309.00	23754.00	19255.00	19865.00	23413.00	21400.00	16038.00	14429.00	14080.00	13899.00	21622.00	23239.00	52849.00	53286.00	16703.00	17033.00	16164.00	15538.00	20313.00	21261.00	13897.00	14873.00
C9 H26 N6 O S2	62791.00	62397.00	49361.00	66266.00	69674.00	67033.00	67528.00	63964.00	63076.00	64815.00	61190.00	69099.00	52860.00	70847.00	58250.00	63174.00	63085.00	63383.00	58568.00	64868.00	59233.00	59256.00	63970.00	58642.00	59073.00	52317.00	58696.00	53157.00	67913.00	50985.00	54425.00	58265.00	62718.00	55081.00	58440.00	53831.00	52628.00	53049.00	63900.00	62425.00	49324.00	65902.00	59939.00	46551.00	60133.00	55165.00	52061.00	62198.00	58332.00	51773.00	47417.00	59368.00	54334.00	52840.00
methyl 8-[3,5-epidioxy-2-(3-hydroperoxy-1-pentenyl)-cyclopentyl]-octanoate	44686.00	44219.00	41114.00	45356.00	42910.00	42552.00	43640.00	36599.00	48055.00	43732.00	45019.00	45533.00	42220.00	45832.00	45067.00	46082.00	44922.00	42471.00	42220.00	44233.00	47329.00	45447.00	47498.00	45636.00	41661.00	44453.00	43016.00	44658.00	39775.00	41388.00	43963.00	46550.00	44943.00	43769.00	42558.00	45869.00	41948.00	44945.00	44110.00	45860.00	45658.00	45286.00	44508.00	46201.00	51878.00	44231.00	43784.00	43638.00	41152.00	45417.00	44472.00	45129.00	41744.00	44851.00
Naringenin 5-O-rhamnoside	18283.00	18004.00	25807.00	26048.00	27664.00	27227.00	51122.00	48016.00	23048.00	20988.00	23816.00	22629.00	18031.00	20068.00	32288.00	31312.00	44545.00	46277.00	40601.00	43024.00	49974.00	46675.00	23604.00	24519.00	22343.00	23257.00	26438.00	27244.00	47276.00	45407.00	32756.00	34068.00	45789.00	47144.00	20755.00	20974.00	24850.00	24585.00	30677.00	30042.00	25364.00	24096.00	26376.00	26839.00	33690.00	35177.00	22964.00	21692.00	28939.00	26849.00	25711.00	25256.00	27794.00	29273.00
C26 H16 O12	21556.00	22326.00	29260.00	29509.00	22688.00	21407.00	33565.00	30744.00	28009.00	25172.00	25056.00	23475.00	20816.00	23007.00	23283.00	23316.00	28851.00	28704.00	16799.00	17822.00	34627.00	35993.00	28191.00	28344.00	22318.00	23652.00	29689.00	29476.00	38099.00	36083.00	40097.00	39043.00	33243.00	33391.00	19494.00	18888.00	34798.00	33084.00	33446.00	35124.00	37116.00	32643.00	34989.00	32156.00	43161.00	36092.00	1.00	1.00	24797.00	25727.00	35416.00	37868.00	33704.00	35852.00
9,10-Epoxy-18-hydroxystearate	28772.00	20177.00	23998.00	19257.00	20289.00	1.00	1.00	17639.00	14428.00	15109.00	17983.00	17240.00	10322.00	25123.00	26734.00	26181.00	25237.00	24699.00	17362.00	13055.00	19140.00	11606.00	19384.00	21317.00	30145.00	32389.00	22351.00	13949.00	41030.00	52000.00	28333.00	34930.00	12176.00	14449.00	27327.00	12794.00	21966.00	22225.00	35663.00	30313.00	22577.00	20468.00	30440.00	25461.00	22206.00	22321.00	1.00	18799.00	12933.00	12970.00	23905.00	24813.00	48881.00	25812.00
C9 H4 N O10 S Esi-14.121001	1.00	1.00	1.00	1.00	16585.00	1.00	1.00	18562.00	1.00	18734.00	1.00	1.00	26652.00	1.00	1.00	1.00	14473.00	25037.00	46217.00	14762.00	34655.00	1.00	1.00	1.00	1.00	1.00	19574.00	1.00	47456.00	48038.00	1.00	21987.00	13820.00	1.00	18600.00	14480.00	1.00	1.00	16523.00	15916.00	10115.00	1.00	10210.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	24557.00	16104.00
Caffeoquinone	1.00	1.00	21682.00	22139.00	32767.00	29657.00	24920.00	24813.00	10568.00	11129.00	1.00	1.00	49091.00	50039.00	12834.00	13615.00	1.00	11061.00	45647.00	48156.00	21579.00	23124.00	1.00	1.00	1.00	1.00	20446.00	19221.00	12272.00	13048.00	24204.00	24940.00	26506.00	22337.00	29809.00	31576.00	10938.00	10599.00	25473.00	29664.00	13735.00	12611.00	16108.00	14930.00	30117.00	27950.00	15129.00	15903.00	19677.00	19789.00	12808.00	12703.00	20252.00	18477.00
PE(20:2(11Z,14Z)/0:0) Esi-11.127997	1.00	1.00	13744.00	13879.00	19443.00	18203.00	20116.00	31766.00	15427.00	16234.00	1.00	1.00	15252.00	15353.00	1.00	1.00	1.00	1.00	26691.00	24146.00	27748.00	18548.00	1.00	1.00	1.00	1.00	25753.00	18494.00	41752.00	39866.00	13338.00	17700.00	23761.00	18610.00	11999.00	15846.00	1.00	1.00	21839.00	17927.00	21452.00	15962.00	17369.00	12643.00	1.00	1.00	13235.00	14150.00	17204.00	16963.00	1.00	1.00	30292.00	18905.00
4,6-Dihydroxysulfadiazine	41097.00	39648.00	30592.00	31875.00	33196.00	31331.00	36431.00	34074.00	38126.00	36405.00	45928.00	48188.00	37651.00	36525.00	46284.00	48829.00	40345.00	40404.00	39789.00	40151.00	35610.00	35912.00	52828.00	52230.00	42303.00	43605.00	37598.00	37837.00	41012.00	41895.00	36022.00	37033.00	35148.00	35670.00	37078.00	37005.00	44413.00	46130.00	43184.00	41928.00	44533.00	43202.00	39575.00	38967.00	46837.00	42400.00	35772.00	36942.00	37701.00	37503.00	41203.00	44203.00	39677.00	37421.00
(6S)-dehydrovomifoliol Esi-8.546998	40182.00	42613.00	40510.00	40793.00	51329.00	40130.00	41293.00	40123.00	44892.00	42484.00	37546.00	42021.00	37883.00	35949.00	36193.00	41075.00	40279.00	27197.00	41793.00	37288.00	45715.00	44835.00	42425.00	41296.00	41917.00	47480.00	46678.00	44200.00	47145.00	48919.00	34666.00	38769.00	38442.00	42992.00	54055.00	38359.00	44633.00	44980.00	50680.00	39295.00	45921.00	49983.00	44770.00	46856.00	43363.00	43378.00	40927.00	48827.00	43276.00	41840.00	46546.00	48646.00	44563.00	44380.00
C27 H43 N11 O14 Esi-11.606001	12736.00	14168.00	86875.00	68192.00	96879.00	81875.00	92671.00	104180.00	68257.00	83461.00	20581.00	27172.00	89796.00	68228.00	21271.00	19082.00	39764.00	33717.00	96265.00	75236.00	103362.00	51487.00	23901.00	24515.00	36663.00	30227.00	101586.00	69692.00	104768.00	111076.00	60971.00	89461.00	96268.00	62260.00	48418.00	80621.00	18269.00	26706.00	76767.00	59382.00	65512.00	43644.00	68634.00	39358.00	17364.00	17833.00	40181.00	40419.00	54000.00	50021.00	52053.00	35711.00	102692.00	62552.00
C3 H2 O3 S3	254697.00	264844.00	184595.00	186283.00	196226.00	190248.00	211066.00	212008.00	217095.00	208851.00	244923.00	246390.00	210132.00	216461.00	259142.00	274214.00	278867.00	275974.00	212015.00	201796.00	219696.00	226367.00	301992.00	287325.00	280882.00	267816.00	216587.00	221495.00	208768.00	200600.00	209518.00	219003.00	213316.00	219385.00	237482.00	247152.00	265429.00	263462.00	220117.00	214408.00	232877.00	233223.00	221383.00	219994.00	271502.00	276748.00	241371.00	252071.00	230912.00	233932.00	275355.00	284294.00	209981.00	205843.00
Isobenzan	38794.00	40276.00	44183.00	44205.00	41073.00	41379.00	44185.00	43071.00	41571.00	37677.00	41000.00	42241.00	44134.00	42659.00	42682.00	46815.00	45718.00	43577.00	41301.00	43344.00	45644.00	47200.00	44865.00	44750.00	46667.00	45160.00	46519.00	46106.00	44141.00	44926.00	45885.00	46873.00	43958.00	44444.00	50984.00	45778.00	45451.00	46313.00	45573.00	43051.00	44127.00	46415.00	48250.00	41448.00	46665.00	43715.00	48735.00	45805.00	45393.00	42320.00	46326.00	47641.00	44441.00	44677.00
3-hydroxy-3-methyl-2-oxo-pentanoic acid	1.00	1.00	28000.00	29204.00	50981.00	50379.00	46128.00	44743.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	48057.00	51585.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	16681.00	33781.00	34522.00	1.00	1.00	30948.00	29214.00	1.00	1.00	24112.00	23969.00	1.00	1.00	41112.00	37407.00	16986.00	1.00	15043.00	1.00	18901.00	19271.00
C7 H6 Cl2 N2 O4 S5	31612.00	31676.00	11031.00	11918.00	11019.00	12444.00	12990.00	15941.00	17269.00	15893.00	27376.00	29563.00	15737.00	15772.00	32438.00	29905.00	29344.00	24925.00	11551.00	13248.00	15111.00	14806.00	28502.00	29366.00	28082.00	29569.00	14610.00	14195.00	12756.00	10878.00	13157.00	13741.00	14246.00	14274.00	14914.00	18251.00	24125.00	26237.00	11703.00	14760.00	16926.00	16050.00	16039.00	14589.00	25493.00	29726.00	13469.00	15700.00	15862.00	13743.00	26202.00	28807.00	11895.00	11240.00
7-octenoic acid	1.00	9921.00	21704.00	17732.00	19739.00	18441.00	17661.00	36468.00	17197.00	23875.00	13053.00	11993.00	25611.00	19972.00	12829.00	16032.00	22222.00	25404.00	21777.00	14634.00	25940.00	14245.00	11489.00	12246.00	26449.00	25474.00	30443.00	18951.00	43603.00	66660.00	25996.00	44224.00	44340.00	16577.00	16029.00	27652.00	13746.00	12567.00	34175.00	23162.00	24169.00	12358.00	19655.00	14900.00	22811.00	17967.00	12471.00	15028.00	11490.00	13575.00	29508.00	27281.00	50650.00	22782.00
Magnoshinin	30878.00	32705.00	29100.00	31736.00	42321.00	41928.00	35572.00	29037.00	47437.00	43647.00	44752.00	41375.00	31010.00	30685.00	35835.00	36434.00	41659.00	43433.00	42454.00	41859.00	36748.00	35729.00	32977.00	33541.00	35316.00	36107.00	36796.00	36716.00	38547.00	35108.00	28847.00	26416.00	51058.00	51785.00	46920.00	46975.00	38142.00	37935.00	34959.00	37522.00	29842.00	30779.00	37880.00	36001.00	62790.00	60598.00	43810.00	42253.00	37801.00	38810.00	42445.00	43486.00	26597.00	29093.00
C32 H49 N16 O3	1.00	1.00	33475.00	21263.00	34886.00	1.00	23597.00	59133.00	23951.00	66419.00	1.00	1.00	56352.00	1.00	1.00	1.00	1.00	1.00	23582.00	25150.00	67686.00	14576.00	1.00	1.00	1.00	1.00	50524.00	29888.00	66373.00	139531.00	27164.00	18772.00	70746.00	1.00	1.00	1.00	1.00	1.00	43894.00	19012.00	30148.00	1.00	37120.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14591.00	1.00
C10 H4 N2 O5 S	47976.00	50544.00	39005.00	38471.00	38214.00	38916.00	41167.00	41704.00	40886.00	36914.00	45106.00	46072.00	43558.00	40920.00	50579.00	51121.00	45149.00	51894.00	45010.00	40453.00	42059.00	44516.00	56490.00	56487.00	51937.00	48526.00	45381.00	42135.00	42082.00	41139.00	41493.00	43060.00	42989.00	47872.00	43645.00	45060.00	49481.00	53496.00	42877.00	45079.00	46087.00	46644.00	42870.00	42785.00	49557.00	48778.00	42935.00	44959.00	43326.00	45533.00	50880.00	51034.00	39102.00	41831.00
C13 H20 N3 O11	24709.00	26447.00	15731.00	15227.00	20723.00	18930.00	32351.00	30283.00	39764.00	41597.00	32351.00	29165.00	26849.00	27827.00	16451.00	17620.00	30896.00	30249.00	24909.00	27552.00	40292.00	39882.00	20355.00	22927.00	39115.00	34231.00	38255.00	39610.00	29711.00	28872.00	32453.00	33382.00	26595.00	26605.00	35943.00	35898.00	35699.00	35401.00	35453.00	35114.00	35960.00	32531.00	30901.00	30099.00	27364.00	26054.00	46014.00	44775.00	45160.00	42719.00	40540.00	40853.00	38657.00	35965.00
C24 H42 N2 O4	1.00	1.00	23656.00	1.00	34613.00	24374.00	28260.00	40452.00	15274.00	20832.00	1.00	1.00	26552.00	1.00	1.00	1.00	1.00	1.00	30236.00	21126.00	24663.00	1.00	1.00	1.00	1.00	1.00	28531.00	19004.00	33874.00	33105.00	1.00	25761.00	35435.00	1.00	1.00	27581.00	1.00	1.00	24191.00	15182.00	1.00	1.00	21125.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	34035.00	13149.00
C33 H43 N14 O	1.00	1.00	15880.00	13680.00	18553.00	11710.00	17843.00	56255.00	13118.00	17515.00	1.00	1.00	24055.00	13802.00	1.00	1.00	12288.00	11470.00	17654.00	15998.00	43367.00	11770.00	1.00	1.00	10537.00	12263.00	42873.00	15030.00	60469.00	61526.00	11224.00	27491.00	17449.00	12846.00	1.00	13355.00	1.00	1.00	15391.00	19268.00	12271.00	1.00	19937.00	10760.00	1.00	1.00	1.00	1.00	1.00	1.00	12570.00	1.00	32779.00	1.00
Dehydrojuvabione Esi-10.3810005	32409.00	99360.00	123286.00	36190.00	90453.00	94169.00	38147.00	36975.00	41157.00	97956.00	38310.00	94311.00	120421.00	38443.00	125833.00	36691.00	182288.00	194430.00	36970.00	32111.00	134009.00	120918.00	96052.00	28285.00	177218.00	170558.00	115011.00	108251.00	109037.00	122778.00	163168.00	176564.00	38094.00	36412.00	34593.00	35398.00	104598.00	28031.00	121294.00	109881.00	119353.00	115424.00	108885.00	110079.00	99480.00	35373.00	30287.00	93379.00	38936.00	36128.00	130912.00	135712.00	130622.00	36614.00
PS(12:0/12:0)	1.00	1.00	16755.00	1.00	1.00	1.00	14715.00	50839.00	1.00	14820.00	1.00	1.00	16051.00	1.00	1.00	1.00	12723.00	1.00	16811.00	1.00	30215.00	1.00	1.00	1.00	1.00	1.00	28239.00	12386.00	53701.00	56503.00	11825.00	32910.00	15216.00	1.00	1.00	1.00	1.00	1.00	19710.00	11901.00	19948.00	1.00	19468.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11926.00	1.00	34634.00	1.00
C6 H2 N2 O3 S2	27624.00	26737.00	15085.00	16156.00	20040.00	19569.00	33108.00	31035.00	35154.00	35210.00	32397.00	31539.00	32042.00	32916.00	28868.00	29343.00	30560.00	30039.00	29069.00	28746.00	27973.00	26445.00	29331.00	27309.00	33758.00	34832.00	24703.00	26212.00	26111.00	29587.00	37610.00	36599.00	25415.00	22418.00	34922.00	35212.00	31578.00	31543.00	33928.00	34650.00	33645.00	34171.00	29210.00	30981.00	32608.00	30687.00	32972.00	35251.00	36815.00	34634.00	30888.00	29219.00	31619.00	33026.00
C15 H2 Cl2 O2 S5	33377.00	35070.00	12639.00	13275.00	15498.00	12368.00	15012.00	15659.00	17529.00	17550.00	28797.00	29914.00	15936.00	16891.00	35944.00	33238.00	30314.00	29100.00	15956.00	16674.00	15666.00	14021.00	36312.00	34428.00	32490.00	27297.00	15139.00	15727.00	14322.00	15218.00	17014.00	16879.00	16436.00	16011.00	19533.00	17642.00	30992.00	30610.00	17243.00	15608.00	16337.00	16558.00	16735.00	14442.00	30301.00	33087.00	19710.00	20344.00	19752.00	21667.00	29670.00	32625.00	15732.00	17073.00
9S,12S,13S-trihydroxy-10E-octadecenoic acid Esi-7.9899964	93159.00	98712.00	38554.00	40147.00	29962.00	31355.00	27165.00	27828.00	46965.00	45392.00	57891.00	56162.00	45118.00	54811.00	139456.00	145304.00	98280.00	94228.00	79658.00	78833.00	80315.00	80209.00	93974.00	95085.00	122353.00	124311.00	80479.00	79059.00	88883.00	90691.00	156766.00	164363.00	38407.00	37000.00	59375.00	63649.00	110756.00	115027.00	173222.00	182520.00	133185.00	130585.00	158334.00	160156.00	96323.00	93659.00	38456.00	36756.00	83016.00	85671.00	121545.00	122545.00	164064.00	158035.00
Arg Arg Arg	1.00	1.00	17242.00	1.00	20136.00	9979.00	18979.00	47345.00	11302.00	16421.00	1.00	1.00	24410.00	1.00	1.00	1.00	13723.00	11262.00	20492.00	1.00	19757.00	1.00	1.00	1.00	1.00	1.00	23347.00	1.00	39163.00	37978.00	13129.00	37003.00	15094.00	1.00	1.00	17673.00	1.00	1.00	19622.00	1.00	1.00	1.00	11585.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	30029.00	14444.00	32647.00	9966.00
2-methylene-4-oxo-pentanedioic acid Esi-1.3909994	409602.00	409090.00	570639.00	566652.00	669462.00	672026.00	625103.00	597148.00	514821.00	528056.00	549457.00	542251.00	398882.00	406597.00	392690.00	367285.00	456298.00	458843.00	429568.00	443142.00	495761.00	489509.00	438878.00	471659.00	498066.00	457947.00	508777.00	530079.00	365514.00	369081.00	385057.00	379413.00	548681.00	550746.00	505519.00	514479.00	325780.00	315103.00	390749.00	365918.00	395559.00	397001.00	388488.00	382946.00	464072.00	488454.00	606075.00	595164.00	603311.00	615712.00	479922.00	462984.00	475237.00	487782.00
C6 H3 N4 O7 S	1.00	1.00	1.00	1.00	1.00	1.00	30350.00	28673.00	26228.00	24715.00	1.00	1.00	1.00	1.00	21736.00	22177.00	16078.00	16988.00	47250.00	49208.00	28663.00	27768.00	36884.00	35854.00	1.00	15128.00	24833.00	22205.00	24967.00	25594.00	14710.00	1.00	47582.00	48983.00	1.00	1.00	41967.00	32815.00	26131.00	23349.00	17744.00	15648.00	13892.00	14003.00	15573.00	15503.00	48361.00	45351.00	24424.00	21409.00	33636.00	29616.00	20872.00	20508.00
C33 H51 N10 O6	1.00	1.00	36030.00	28786.00	38283.00	31382.00	26607.00	75070.00	22033.00	27416.00	1.00	12128.00	38734.00	29799.00	12814.00	11818.00	36099.00	32781.00	36649.00	23675.00	55804.00	22483.00	1.00	1.00	26638.00	23865.00	49001.00	26343.00	73313.00	81860.00	39248.00	80880.00	36915.00	18830.00	21817.00	37833.00	1.00	11246.00	42445.00	28932.00	27297.00	17228.00	32864.00	18618.00	13223.00	13157.00	15419.00	14998.00	20321.00	16878.00	27036.00	19189.00	76258.00	27477.00
C20 H2 N2 O18 S	1.00	1.00	1.00	15976.00	1.00	1.00	1.00	1.00	1.00	225932.00	1.00	1.00	1.00	1.00	1.00	11396.00	9499.00	1.00	1.00	41803.00	270535.00	1.00	1.00	1.00	10248.00	20393.00	57302.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	75582.00	33827.00	1.00	16090.00	29735.00	17215.00	1.00	1.00	1.00	1.00	44687.00	1.00	31577.00	1.00	29740.00	1.00
C15 H2 O17 Esi-14.120995	17146.00	1.00	16459.00	1.00	13505.00	1.00	29999.00	55768.00	22179.00	25226.00	1.00	13745.00	19217.00	17920.00	1.00	17618.00	24162.00	1.00	25318.00	31078.00	64303.00	1.00	18275.00	17105.00	22927.00	1.00	19541.00	35124.00	56407.00	44856.00	21675.00	23777.00	37270.00	18975.00	10791.00	17676.00	11252.00	11702.00	34275.00	23017.00	16663.00	18551.00	19650.00	1.00	15819.00	17559.00	1.00	17575.00	11873.00	31718.00	23611.00	1.00	48987.00	27987.00
Gingerdione	43893.00	52945.00	62499.00	59611.00	55016.00	55516.00	51811.00	49830.00	65348.00	62818.00	62411.00	62660.00	65471.00	66140.00	55822.00	53879.00	55628.00	52892.00	61256.00	69280.00	71614.00	69331.00	55313.00	52252.00	55806.00	58182.00	64620.00	66040.00	65043.00	64695.00	59342.00	58429.00	71355.00	69268.00	58159.00	58883.00	52921.00	50459.00	66249.00	63112.00	68887.00	66989.00	63906.00	63862.00	50271.00	48949.00	51709.00	54540.00	47207.00	50676.00	60820.00	54078.00	73209.00	67417.00
C5 H5 Cl3 O2 S	46774.00	44666.00	38365.00	36476.00	41502.00	42185.00	42860.00	43330.00	37690.00	39307.00	46119.00	45514.00	39610.00	39224.00	45055.00	48515.00	46563.00	47718.00	40153.00	42099.00	41153.00	43229.00	44711.00	44862.00	45161.00	43569.00	41059.00	37759.00	35240.00	36785.00	38423.00	40726.00	40030.00	37744.00	40611.00	40504.00	41987.00	41470.00	38482.00	37374.00	41923.00	40635.00	40389.00	38204.00	43198.00	43531.00	41012.00	39843.00	41928.00	38469.00	43822.00	45152.00	39732.00	37721.00
C8 H6 N4 O2	35128.00	35823.00	26889.00	26171.00	31656.00	31995.00	36176.00	35861.00	29328.00	30093.00	33144.00	30477.00	27058.00	25996.00	33141.00	32240.00	31872.00	32617.00	24720.00	24136.00	30639.00	29845.00	40721.00	42408.00	39714.00	38524.00	35797.00	32972.00	32087.00	32106.00	32191.00	30185.00	29415.00	26743.00	31469.00	33216.00	29159.00	27453.00	26181.00	26177.00	36466.00	38169.00	46514.00	45815.00	36681.00	37176.00	48257.00	49141.00	36928.00	38133.00	55283.00	55263.00	33398.00	30184.00
Asp Gln Tyr	24465.00	22183.00	27634.00	27077.00	27843.00	26540.00	23046.00	21203.00	23179.00	20957.00	32188.00	31734.00	27270.00	29488.00	25093.00	25789.00	26594.00	28555.00	27385.00	25698.00	26655.00	26075.00	23116.00	24985.00	26945.00	25357.00	32824.00	31145.00	26219.00	25802.00	24781.00	26568.00	31894.00	33555.00	31436.00	32806.00	27535.00	27044.00	30093.00	30861.00	28690.00	26249.00	32787.00	28930.00	42464.00	39148.00	28078.00	26922.00	28707.00	27426.00	28227.00	27327.00	28946.00	30866.00
C17 H23 N8	1.00	1.00	34985.00	24228.00	40937.00	32379.00	33689.00	1.00	27151.00	34371.00	1.00	10364.00	34461.00	26805.00	1.00	1.00	17227.00	1.00	38091.00	30377.00	34730.00	16932.00	15336.00	20858.00	16118.00	17342.00	23135.00	33168.00	1.00	1.00	24765.00	35069.00	28298.00	15901.00	23327.00	28751.00	1.00	18480.00	28303.00	31999.00	32550.00	15054.00	26256.00	17061.00	1.00	1.00	1.00	10435.00	22859.00	24661.00	29357.00	21565.00	26415.00	23197.00
Triciribine	28146.00	29604.00	26371.00	24967.00	35009.00	30451.00	40856.00	49178.00	30037.00	32567.00	44008.00	40818.00	1.00	25742.00	39648.00	31869.00	24096.00	24554.00	48234.00	43009.00	27032.00	25935.00	63079.00	59004.00	23899.00	20853.00	33598.00	32306.00	40587.00	35527.00	37154.00	41687.00	46224.00	43280.00	49277.00	56525.00	53341.00	49930.00	56842.00	49999.00	34772.00	33579.00	37462.00	33221.00	38689.00	41072.00	37083.00	36047.00	54487.00	56751.00	44303.00	44353.00	53781.00	46620.00
C10 H6 O5	2067927.00	2081182.00	249972.00	249272.00	333333.00	327269.00	618340.00	619371.00	1179172.00	1175489.00	1870393.00	1829361.00	1194756.00	1208392.00	1967641.00	1926185.00	1816198.00	1860227.00	766760.00	782085.00	746415.00	734230.00	1974673.00	2014406.00	1779579.00	1795171.00	628319.00	640064.00	722179.00	723232.00	893180.00	926790.00	625229.00	628525.00	1071647.00	1038484.00	1787433.00	1756520.00	850600.00	871310.00	1090491.00	1003851.00	902623.00	863573.00	1779771.00	1852663.00	916708.00	942719.00	1137932.00	1108449.00	1755160.00	1707505.00	693119.00	738133.00
C41 H83 N6	41479.00	40791.00	33659.00	34264.00	37003.00	34745.00	37918.00	38462.00	37509.00	34746.00	42781.00	43380.00	41359.00	39247.00	44041.00	42999.00	42387.00	41606.00	36163.00	36838.00	40401.00	38045.00	43724.00	43543.00	42014.00	41989.00	35229.00	39098.00	35361.00	36828.00	35866.00	37700.00	36792.00	40330.00	41112.00	40548.00	40046.00	43376.00	35667.00	35570.00	41339.00	41115.00	36285.00	36171.00	42555.00	42127.00	35989.00	37672.00	37639.00	35756.00	40690.00	44981.00	35091.00	37565.00
(6S)-dehydrovomifoliol Esi-8.214997	65693.00	44824.00	61788.00	91969.00	41912.00	37967.00	49108.00	23967.00	72721.00	56507.00	43740.00	47472.00	72431.00	79737.00	67470.00	57999.00	149058.00	20859.00	32152.00	16469.00	28343.00	23287.00	63810.00	54913.00	131471.00	39334.00	91150.00	65383.00	52805.00	40958.00	30713.00	111126.00	47263.00	40987.00	76958.00	70750.00	49325.00	45108.00	19677.00	21617.00	25426.00	66265.00	27395.00	25806.00	44582.00	36195.00	51878.00	76616.00	28058.00	26914.00	81069.00	87791.00	82008.00	54450.00
C35 H57 N3 O12 Esi-11.7699995	1.00	1.00	23741.00	19029.00	22972.00	18162.00	18527.00	70774.00	1.00	19766.00	1.00	1.00	28021.00	16761.00	1.00	1.00	17517.00	13594.00	22507.00	1.00	48823.00	1.00	1.00	1.00	14386.00	1.00	38000.00	15506.00	69511.00	92131.00	22420.00	45108.00	28723.00	1.00	1.00	22018.00	1.00	1.00	28224.00	17496.00	19166.00	1.00	21512.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	53675.00	16291.00
4-Pyridoxic acid	29655.00	26587.00	30861.00	31178.00	37186.00	30872.00	37982.00	33580.00	31969.00	32172.00	41815.00	41426.00	39078.00	37007.00	25418.00	26887.00	27643.00	29215.00	31475.00	34106.00	35473.00	37227.00	27598.00	27513.00	34014.00	32408.00	40544.00	40398.00	38783.00	43601.00	38076.00	33716.00	49838.00	53122.00	38619.00	36582.00	30511.00	30719.00	35336.00	35549.00	36761.00	39420.00	38272.00	35195.00	36037.00	31622.00	39569.00	41579.00	43707.00	42690.00	35330.00	33040.00	36858.00	35729.00
C11 H2 N2 O8 S5	43580.00	45545.00	20688.00	17795.00	22164.00	18980.00	23072.00	22106.00	28202.00	26524.00	36614.00	38173.00	24668.00	25746.00	37711.00	36967.00	33981.00	35002.00	23260.00	23447.00	23826.00	22578.00	42718.00	41916.00	39136.00	39374.00	19842.00	21714.00	22456.00	21362.00	25006.00	24395.00	23198.00	21967.00	27078.00	26668.00	36074.00	35757.00	23355.00	23115.00	24225.00	25143.00	24469.00	24620.00	38062.00	37412.00	26711.00	25735.00	29344.00	29620.00	36460.00	35819.00	22710.00	23967.00
C20 H42 N3 O7 Esi-12.237	1.00	1.00	16173.00	13531.00	15857.00	11565.00	18019.00	1.00	11245.00	1.00	1.00	9845.00	26595.00	18537.00	16943.00	14992.00	20570.00	19491.00	27567.00	14697.00	53254.00	14419.00	1.00	1.00	14379.00	13583.00	27809.00	1.00	67842.00	1.00	20918.00	38885.00	25363.00	8989.00	1.00	17803.00	8830.00	12202.00	24638.00	15890.00	11891.00	1.00	21458.00	10909.00	1.00	1.00	1.00	1.00	10512.00	10265.00	1.00	11570.00	48556.00	13566.00
13(S)-HODE Esi-11.895001	42757.00	44225.00	34516.00	77433.00	19286.00	72608.00	14958.00	45201.00	26723.00	32052.00	35362.00	38784.00	49029.00	69426.00	46591.00	49354.00	54858.00	52193.00	38737.00	59719.00	52531.00	30703.00	44262.00	45819.00	63578.00	63585.00	60193.00	39244.00	114426.00	138424.00	65858.00	86082.00	83036.00	57325.00	50184.00	28760.00	60407.00	59039.00	82783.00	64021.00	58463.00	47983.00	85106.00	60531.00	55007.00	52104.00	16344.00	49699.00	31570.00	31302.00	59386.00	56943.00	123093.00	64957.00
C12 H26 N7 O7 S	38688.00	39813.00	41093.00	42026.00	41135.00	42357.00	43725.00	42515.00	37474.00	31224.00	41971.00	41206.00	39805.00	42088.00	40649.00	40852.00	42992.00	43303.00	39685.00	41548.00	42380.00	43486.00	40795.00	42946.00	45112.00	47119.00	42124.00	42755.00	42322.00	38630.00	42273.00	45610.00	40884.00	37003.00	41402.00	40392.00	43032.00	41545.00	45319.00	43513.00	47389.00	45190.00	44802.00	44730.00	45121.00	45272.00	41256.00	43517.00	44618.00	41645.00	44467.00	43352.00	41817.00	40430.00
Tephcalostan C	16968.00	17757.00	28945.00	33615.00	30567.00	32094.00	27323.00	26845.00	27842.00	26949.00	18274.00	15893.00	17932.00	20254.00	39406.00	37524.00	29594.00	28016.00	23383.00	26991.00	41788.00	41652.00	43002.00	43443.00	19905.00	19680.00	24728.00	24401.00	52729.00	53370.00	51276.00	49419.00	54492.00	51961.00	20928.00	20037.00	53505.00	55154.00	40510.00	43532.00	23605.00	21969.00	33671.00	32091.00	36999.00	40037.00	39850.00	37359.00	35949.00	35737.00	39711.00	40704.00	35420.00	36989.00
ent-Corey PG-Lactone Diol	1.00	1.00	11144.00	1.00	22292.00	18811.00	18877.00	29565.00	14271.00	20321.00	1.00	12414.00	18306.00	13849.00	1.00	1.00	1.00	1.00	18148.00	15210.00	13915.00	1.00	1.00	1.00	15232.00	1.00	18732.00	11066.00	36057.00	46985.00	14775.00	27900.00	29698.00	12143.00	11447.00	22704.00	1.00	1.00	13587.00	1.00	1.00	1.00	1.00	1.00	14589.00	15025.00	1.00	1.00	12328.00	1.00	19956.00	18522.00	29233.00	10949.00
C56 H96 N4 O4 S	1.00	13676.00	78357.00	29945.00	47475.00	110262.00	104864.00	1.00	116962.00	105470.00	1.00	37034.00	87571.00	36409.00	60067.00	1.00	56385.00	77939.00	84069.00	828157.00	1.00	123257.00	164887.00	116894.00	120792.00	399762.00	47709.00	30207.00	1.00	125892.00	815603.00	1.00	243145.00	103349.00	59192.00	474771.00	1.00	242878.00	345512.00	70178.00	59308.00	54789.00	118681.00	37526.00	49813.00	1.00	105089.00	51389.00	503097.00	212547.00	16262.00	73565.00	58560.00	119208.00
C36 H75 N3 O	22183.00	24415.00	48794.00	48609.00	46801.00	48124.00	45043.00	45083.00	38491.00	37780.00	32463.00	32747.00	37679.00	42659.00	28964.00	33000.00	33098.00	33995.00	42674.00	41337.00	40156.00	43673.00	29205.00	30691.00	30641.00	32159.00	44738.00	42925.00	42884.00	44308.00	46042.00	44780.00	43422.00	43602.00	46145.00	40607.00	31592.00	32594.00	44398.00	47225.00	43298.00	43196.00	49040.00	46358.00	29913.00	32284.00	43952.00	44589.00	39302.00	38502.00	35636.00	34270.00	48082.00	44889.00
7-Methylxanthine	12366.00	9917.00	16812.00	13837.00	21837.00	14776.00	21753.00	40874.00	19736.00	19887.00	12204.00	11130.00	22560.00	14591.00	11856.00	1.00	16025.00	10695.00	19677.00	15712.00	23211.00	14545.00	11131.00	1.00	11631.00	11778.00	21819.00	13884.00	31460.00	34258.00	17317.00	29147.00	19998.00	15048.00	14261.00	24021.00	11723.00	13381.00	18726.00	11158.00	18110.00	10962.00	19858.00	1.00	12286.00	11575.00	1.00	1.00	10919.00	13743.00	15596.00	17682.00	27853.00	18100.00
Butopyronoxyl	22093.00	43258.00	58722.00	24882.00	44138.00	12860.00	45032.00	63103.00	37886.00	33283.00	18301.00	34508.00	33375.00	24961.00	25215.00	46914.00	64425.00	29433.00	21259.00	52437.00	38059.00	25176.00	22894.00	20682.00	72176.00	36343.00	60416.00	28749.00	38451.00	48266.00	45429.00	48798.00	43996.00	50732.00	50987.00	45559.00	24412.00	47564.00	54416.00	59539.00	26348.00	33191.00	53098.00	50175.00	40405.00	59825.00	34364.00	36913.00	26361.00	16596.00	24983.00	37981.00	60160.00	38612.00
C5 H4 N2	37333.00	34199.00	47439.00	48699.00	86949.00	86047.00	51390.00	56496.00	48586.00	46260.00	43186.00	50498.00	40128.00	40800.00	41615.00	41424.00	36451.00	43797.00	48073.00	39758.00	51853.00	51130.00	41501.00	44018.00	42008.00	42485.00	50596.00	42598.00	33338.00	35517.00	32028.00	31840.00	51736.00	52143.00	48410.00	42904.00	28102.00	29543.00	32690.00	32841.00	34892.00	29860.00	31258.00	34577.00	42516.00	40043.00	51577.00	47478.00	46159.00	48523.00	38702.00	36882.00	43909.00	42865.00
C9 H4 N O10 S Esi-13.447006	25550.00	14560.00	24752.00	22635.00	19967.00	19045.00	27685.00	21115.00	16860.00	25155.00	15721.00	17762.00	27064.00	17139.00	19103.00	24980.00	22926.00	16858.00	38229.00	24009.00	41708.00	17423.00	16683.00	17263.00	21399.00	14385.00	50340.00	21253.00	56932.00	54731.00	19030.00	44059.00	14239.00	39828.00	11172.00	27086.00	20066.00	18026.00	65486.00	36214.00	46048.00	21858.00	53635.00	26286.00	16051.00	23264.00	14534.00	15292.00	27530.00	27607.00	16400.00	23511.00	62659.00	25202.00
3-oxo-nonanoic acid Esi-6.8459973	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	45088.00	43847.00	1.00	1.00	38858.00	35778.00	35718.00	1.00	1.00	1.00	43623.00	45380.00	46744.00	1.00	47140.00	47854.00	51229.00	66620.00	1.00	1.00	40220.00	42879.00	37250.00	45916.00	65296.00	61478.00	49129.00	45643.00	57707.00	50103.00	55299.00	64114.00	1.00	1.00	39658.00	1.00	47846.00	52861.00	65766.00	58348.00
C31 H49 O11 Esi-8.1849985	38181.00	39159.00	1.00	1.00	26295.00	1.00	13135.00	1.00	1.00	1.00	37336.00	37530.00	26434.00	29980.00	66224.00	61923.00	30385.00	29151.00	29297.00	29326.00	30702.00	29846.00	43131.00	42462.00	46882.00	50210.00	1.00	1.00	1.00	25987.00	51648.00	53478.00	27323.00	26435.00	31839.00	33446.00	52972.00	55680.00	28448.00	27732.00	26549.00	25347.00	26188.00	28488.00	33062.00	29955.00	1.00	1.00	37435.00	36141.00	80783.00	35220.00	37327.00	34524.00
C6 H4 N O2 S3 Esi-1.1730002	56305.00	56428.00	1.00	43381.00	1.00	43141.00	1.00	32795.00	51375.00	1.00	21207.00	1.00	52513.00	50946.00	48832.00	38024.00	53162.00	49015.00	1.00	1.00	58089.00	66101.00	52935.00	52558.00	58594.00	52922.00	1.00	48584.00	42614.00	50001.00	1.00	1.00	50213.00	68525.00	54508.00	1.00	1.00	35216.00	42699.00	43156.00	57249.00	54152.00	45814.00	46200.00	1.00	42031.00	36778.00	66735.00	25570.00	1.00	12084.00	48356.00	41680.00	12477.00
C15 H2 O17 Esi-4.525001	1.00	1.00	1.00	1.00	1.00	1.00	1.00	27340.00	15876.00	13954.00	1.00	1.00	1.00	1.00	1.00	17143.00	1.00	28147.00	23979.00	24648.00	1.00	18692.00	1.00	18253.00	1.00	1.00	1.00	64710.00	1.00	24450.00	1.00	1.00	23678.00	19967.00	1.00	1.00	23148.00	23565.00	16127.00	15912.00	1.00	1.00	1.00	1.00	1.00	40827.00	25170.00	25954.00	1.00	21991.00	18434.00	18448.00	1.00	1.00
Glu His Trp	69782.00	68598.00	1.00	19773.00	1.00	1.00	1.00	1.00	38143.00	39016.00	49847.00	50162.00	19386.00	19312.00	77424.00	78896.00	71824.00	71833.00	39634.00	35866.00	64711.00	48661.00	71441.00	68562.00	95159.00	89303.00	65990.00	52560.00	90234.00	86060.00	60659.00	66908.00	1.00	1.00	22129.00	21575.00	63564.00	64439.00	116557.00	106308.00	104769.00	95149.00	120358.00	105109.00	36760.00	37371.00	1.00	19493.00	26968.00	26381.00	51542.00	48159.00	89905.00	70087.00
C9 H7 N O5 S	17204.00	16116.00	16504.00	17906.00	1.00	1.00	1.00	1.00	21731.00	19428.00	15468.00	16093.00	18739.00	17285.00	18420.00	20479.00	1.00	1.00	12980.00	11873.00	12641.00	12703.00	14239.00	15702.00	16961.00	16785.00	24531.00	26084.00	17179.00	21026.00	36071.00	33943.00	14937.00	14851.00	1.00	1.00	22577.00	19688.00	17116.00	16516.00	25149.00	24594.00	33502.00	36745.00	33579.00	32984.00	43541.00	42538.00	14013.00	14430.00	34006.00	34309.00	25566.00	27305.00
C14 H4 N3 O11 S2 Esi-0.8400001 :1	139686.00	137056.00	70513.00	71782.00	78795.00	77763.00	84931.00	75647.00	88026.00	84869.00	124226.00	120764.00	88575.00	92926.00	123857.00	129553.00	130551.00	131334.00	82661.00	84123.00	87857.00	90706.00	142916.00	144620.00	130756.00	134844.00	85896.00	82208.00	78144.00	81857.00	87608.00	92219.00	90378.00	93408.00	101859.00	104611.00	129013.00	123882.00	88306.00	89571.00	96391.00	91094.00	86572.00	87736.00	128153.00	126396.00	93259.00	90905.00	100519.00	101862.00	131881.00	131582.00	80425.00	78941.00
C13 H2 N2 O4 S	32432.00	31892.00	29472.00	31664.00	37968.00	40192.00	37541.00	41418.00	35530.00	34089.00	31696.00	31293.00	31021.00	34087.00	46744.00	47614.00	39601.00	39534.00	32052.00	33046.00	38767.00	37836.00	40012.00	36948.00	36731.00	38393.00	28007.00	29132.00	36690.00	36851.00	30989.00	30191.00	33771.00	31969.00	34787.00	35894.00	32250.00	32201.00	33461.00	32005.00	36746.00	36634.00	34418.00	34900.00	31944.00	30710.00	46001.00	43478.00	13794.00	13050.00	12155.00	12007.00	11254.00	13256.00
Malate Esi-1.0909997	27205.00	24209.00	20021.00	18538.00	26671.00	21884.00	25585.00	50549.00	24535.00	24193.00	25093.00	20652.00	15096.00	1.00	18035.00	19061.00	26870.00	25595.00	28324.00	22081.00	39518.00	24083.00	26506.00	26116.00	29247.00	29454.00	29727.00	24531.00	24498.00	26466.00	14082.00	17071.00	17827.00	17355.00	16906.00	17400.00	14881.00	14777.00	18136.00	15535.00	21461.00	13947.00	16156.00	11965.00	21852.00	22231.00	24668.00	22490.00	31318.00	31076.00	26288.00	25518.00	34365.00	26443.00
C29 H30 N2 O21	44758.00	44261.00	1.00	1.00	1.00	1.00	1.00	1.00	25810.00	25838.00	33990.00	31754.00	1.00	1.00	49269.00	47855.00	40624.00	39787.00	26256.00	26415.00	33224.00	32996.00	47127.00	47308.00	53601.00	51112.00	37616.00	35128.00	42351.00	40528.00	39138.00	38032.00	1.00	1.00	1.00	1.00	43249.00	44546.00	61683.00	61049.00	57389.00	56665.00	65627.00	57650.00	27796.00	26743.00	1.00	1.00	19810.00	1.00	34117.00	33519.00	49765.00	45767.00
Trans-2, 3, 4-Trimethoxycinnamate	15080.00	15891.00	26180.00	24664.00	47446.00	45885.00	29340.00	31892.00	20408.00	19927.00	16706.00	21284.00	34654.00	37321.00	20321.00	25161.00	16986.00	18827.00	34131.00	34415.00	20919.00	19798.00	14517.00	12906.00	20620.00	19226.00	22971.00	17779.00	21822.00	25898.00	31431.00	35549.00	30302.00	26759.00	28845.00	36116.00	16065.00	20139.00	22970.00	23612.00	15446.00	17232.00	16869.00	15760.00	32522.00	32106.00	20099.00	20165.00	29970.00	33189.00	26818.00	28113.00	29414.00	29383.00
C23 H38 N3 O6	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14259.00	14504.00	49152.00	47014.00	14398.00	11788.00	46809.00	45810.00	12209.00	12077.00	1.00	1.00	1.00	1.00	32405.00	32190.00	1.00	1.00	22901.00	24447.00	1.00	1.00	16850.00	17426.00	12754.00	15495.00	1.00	1.00	1.00	1.00	33407.00	31310.00	41763.00	41248.00	10591.00	10805.00	10256.00	11926.00	1.00	1.00
C41 H87 N3 O	49140.00	44575.00	33285.00	34262.00	35781.00	38175.00	36483.00	38515.00	38238.00	36529.00	45905.00	44025.00	38525.00	39303.00	46975.00	44333.00	41591.00	41633.00	38184.00	40042.00	36576.00	40081.00	48551.00	47654.00	42533.00	46111.00	36647.00	37806.00	35099.00	35224.00	40460.00	36138.00	40328.00	39934.00	38258.00	40995.00	42688.00	44158.00	39680.00	38614.00	37342.00	38088.00	38533.00	40329.00	45551.00	43734.00	43232.00	40302.00	43383.00	44047.00	47215.00	45380.00	37266.00	36256.00
C4 H2 N O5 S Esi-0.7890003 :1	17645.00	982302.00	464778.00	344751.00	288866.00	388950.00	482973.00	443161.00	591039.00	637289.00	720245.00	871614.00	512301.00	576681.00	906095.00	831652.00	892587.00	856746.00	507793.00	492727.00	416639.00	508388.00	10755.00	942612.00	940907.00	856459.00	522727.00	492035.00	428448.00	377825.00	457429.00	390941.00	499834.00	492565.00	518672.00	577323.00	755107.00	884827.00	528930.00	556096.00	523638.00	555820.00	498778.00	472628.00	860448.00	4845.00	826890.00	761975.00	580064.00	577801.00	797848.00	898029.00	418853.00	447539.00
C22 H44 O8 Esi-11.6900015	52301.00	52088.00	115440.00	79860.00	78175.00	54563.00	90085.00	224091.00	51360.00	75855.00	60055.00	54636.00	132669.00	116543.00	85217.00	83858.00	96667.00	92266.00	116920.00	72478.00	163519.00	113596.00	51179.00	53717.00	80934.00	65561.00	123839.00	59982.00	204700.00	232744.00	112007.00	128688.00	117417.00	59690.00	87055.00	77474.00	52307.00	62673.00	95000.00	92592.00	63926.00	51272.00	99482.00	85011.00	74876.00	52298.00	47533.00	40139.00	61257.00	66657.00	87045.00	77051.00	157810.00	77236.00
15-hydroxy stearic acid	31549.00	32260.00	34283.00	33338.00	34686.00	35749.00	35576.00	63649.00	28737.00	33488.00	32693.00	32269.00	32776.00	1.00	30171.00	1.00	33499.00	33638.00	37987.00	36939.00	39748.00	35333.00	33024.00	32348.00	33078.00	33997.00	31147.00	32922.00	63954.00	71064.00	36094.00	42548.00	40933.00	34059.00	30290.00	36452.00	32706.00	34281.00	38337.00	35452.00	38694.00	36247.00	35549.00	33115.00	34183.00	33861.00	33279.00	32786.00	1.00	30113.00	1.00	31691.00	52938.00	34602.00
C11 H4 N2 O4 S	39036.00	40345.00	39540.00	38298.00	39777.00	45124.00	32785.00	32122.00	37741.00	36667.00	44962.00	44306.00	26459.00	28595.00	40995.00	39227.00	34891.00	36711.00	32432.00	31818.00	35109.00	45390.00	48425.00	48106.00	40756.00	40200.00	39711.00	40031.00	32907.00	30032.00	32675.00	31522.00	46906.00	44408.00	31446.00	30570.00	43064.00	47587.00	34961.00	37418.00	28225.00	32612.00	35720.00	33047.00	36619.00	36546.00	49324.00	35381.00	34058.00	41863.00	49342.00	46838.00	36461.00	47664.00
C7 H3 N3 O3	31694.00	34693.00	32164.00	32074.00	36457.00	40073.00	35178.00	34691.00	32364.00	35856.00	43985.00	43509.00	42942.00	44174.00	30810.00	32410.00	40755.00	36084.00	31344.00	27742.00	35034.00	35081.00	31283.00	30974.00	40956.00	44054.00	49987.00	52088.00	53442.00	53678.00	39342.00	40627.00	51015.00	51626.00	32623.00	32532.00	39043.00	40001.00	35848.00	33221.00	45325.00	45952.00	38363.00	41957.00	34015.00	36665.00	34786.00	37607.00	39386.00	37458.00	33757.00	34820.00	38772.00	39912.00
Purine Esi-3.7680006	47016.00	1.00	208956.00	124684.00	64936.00	58553.00	1.00	72454.00	61741.00	1.00	1.00	1.00	78612.00	85866.00	69345.00	63998.00	112280.00	107329.00	50215.00	102830.00	29089.00	89356.00	1.00	1.00	68234.00	119663.00	26914.00	41191.00	40300.00	1.00	86377.00	83139.00	58930.00	1.00	82939.00	1.00	56126.00	18661.00	43357.00	1.00	43584.00	41315.00	24398.00	75065.00	74398.00	37003.00	43082.00	1.00	42715.00	64008.00	715403.00	159993.00	1.00	97808.00
C6 H2 N2 O3 S Esi-1.2029994	16590.00	9046.00	18359.00	1.00	1.00	20405.00	31378.00	27768.00	1.00	1.00	1.00	1.00	1.00	1.00	22700.00	21040.00	13246.00	19758.00	39596.00	34284.00	38838.00	22675.00	16994.00	7249.00	23336.00	26891.00	1.00	18668.00	10189.00	21710.00	17537.00	28804.00	25712.00	18797.00	32845.00	25030.00	7679.00	1.00	17874.00	1.00	18024.00	22034.00	18044.00	1.00	23615.00	21726.00	34351.00	36204.00	12964.00	20471.00	1.00	1.00	1.00	1.00
17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carboxylic acid, gamma-lactone	27637.00	19660.00	27822.00	30401.00	28879.00	26370.00	25227.00	32770.00	22506.00	21766.00	16531.00	21543.00	28010.00	16979.00	17905.00	25411.00	27648.00	19494.00	31222.00	25102.00	27594.00	24265.00	29750.00	23588.00	27370.00	31260.00	23651.00	27379.00	24231.00	29530.00	18408.00	25845.00	22885.00	22689.00	25269.00	27276.00	26138.00	27151.00	26609.00	22098.00	24423.00	27431.00	18757.00	23821.00	35075.00	27036.00	30145.00	22335.00	26750.00	19904.00	19916.00	21585.00	25683.00	25405.00
Doisynoestrol Esi-9.844996	97203.00	97761.00	100470.00	103886.00	102453.00	107818.00	105531.00	99930.00	98569.00	104912.00	103314.00	99917.00	98173.00	98249.00	95511.00	101997.00	98684.00	103489.00	100853.00	97900.00	100304.00	100733.00	95992.00	95179.00	98505.00	90456.00	101418.00	90132.00	98331.00	98859.00	91804.00	95713.00	90499.00	91242.00	94786.00	89633.00	94023.00	93780.00	83520.00	97392.00	95181.00	94926.00	95508.00	93333.00	95272.00	92920.00	90710.00	89376.00	93382.00	88278.00	90767.00	90946.00	93445.00	92513.00
C18 H29 N13 O9	16850.00	17970.00	24404.00	26237.00	30577.00	29168.00	29357.00	28852.00	31363.00	28549.00	44272.00	41893.00	23826.00	25118.00	33904.00	36570.00	28443.00	28903.00	30325.00	29638.00	25629.00	24002.00	35943.00	37354.00	29871.00	28198.00	35364.00	33794.00	31655.00	31091.00	26752.00	27424.00	31458.00	32555.00	31377.00	31406.00	35564.00	35366.00	35647.00	35820.00	36935.00	38002.00	32167.00	31824.00	26842.00	27583.00	40866.00	39628.00	41133.00	39996.00	46745.00	46126.00	42507.00	41662.00
3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid	56513.00	51310.00	61751.00	54686.00	64289.00	64427.00	63280.00	63236.00	59344.00	55933.00	54885.00	61107.00	58064.00	59902.00	46903.00	58320.00	46408.00	53353.00	60728.00	65228.00	45026.00	41140.00	50335.00	52752.00	53064.00	49115.00	57422.00	51735.00	61273.00	52738.00	54275.00	56975.00	55869.00	60648.00	60288.00	62656.00	57533.00	53868.00	61774.00	50042.00	52676.00	49859.00	51305.00	44409.00	19988.00	54729.00	58759.00	53011.00	60028.00	61032.00	61042.00	61441.00	52055.00	57226.00
C29 H28 N3 O16	56859.00	57662.00	1.00	1.00	1.00	1.00	1.00	1.00	30898.00	32785.00	40629.00	42229.00	1.00	1.00	60882.00	65748.00	54050.00	54185.00	31803.00	31577.00	47709.00	40997.00	59935.00	61155.00	73231.00	76037.00	49754.00	44612.00	60146.00	55066.00	49506.00	47931.00	1.00	1.00	1.00	18512.00	56900.00	56613.00	80993.00	79333.00	75734.00	71725.00	83973.00	80464.00	34146.00	32058.00	18293.00	1.00	23765.00	23458.00	43965.00	42485.00	62129.00	56990.00
Propanethial S-oxide Esi-0.9370002	126539.00	133759.00	43280.00	45851.00	58570.00	69649.00	80378.00	70037.00	82281.00	79794.00	118671.00	130134.00	91829.00	91206.00	124195.00	136473.00	130400.00	132482.00	74414.00	80580.00	84494.00	95858.00	130062.00	120194.00	127727.00	124097.00	68720.00	72365.00	84640.00	79695.00	73563.00	94381.00	72160.00	77738.00	89736.00	85900.00	108306.00	117629.00	69293.00	72292.00	96755.00	82032.00	82369.00	90904.00	141358.00	128732.00	79534.00	93909.00	92861.00	89029.00	140034.00	137229.00	86009.00	84876.00
(6S)-dehydrovomifoliol Esi-7.915002	27326.00	18362.00	16086.00	49534.00	15301.00	15165.00	23367.00	30264.00	21852.00	25293.00	34820.00	15543.00	34650.00	64429.00	29708.00	29122.00	50275.00	48342.00	25598.00	37583.00	40634.00	44138.00	25446.00	22073.00	50683.00	55009.00	32186.00	32647.00	1.00	35718.00	48955.00	54765.00	21247.00	28942.00	31088.00	30198.00	23766.00	24938.00	40026.00	30429.00	36582.00	33670.00	41366.00	35723.00	28323.00	34724.00	27273.00	29179.00	28106.00	33147.00	39096.00	43352.00	33268.00	44750.00
Taurocholic acid Esi-6.434	28914.00	24097.00	35539.00	34163.00	29931.00	26885.00	26944.00	27781.00	29557.00	29858.00	20490.00	17841.00	15640.00	18479.00	17571.00	17310.00	19781.00	19439.00	67096.00	63795.00	15086.00	16288.00	17064.00	19073.00	1.00	1.00	20647.00	20507.00	1.00	1.00	17977.00	19024.00	21228.00	22979.00	37409.00	38217.00	1.00	1.00	72172.00	72912.00	20710.00	20329.00	20556.00	19805.00	27779.00	28529.00	1.00	1.00	21988.00	20762.00	1.00	1.00	1.00	1.00
C4 H5 Cl N O	65973.00	63795.00	33197.00	39424.00	46422.00	37931.00	44409.00	48312.00	49315.00	47547.00	71175.00	67721.00	53922.00	56864.00	57021.00	63169.00	65611.00	62451.00	55031.00	43627.00	49373.00	51674.00	54305.00	66075.00	57279.00	68287.00	51250.00	48564.00	50832.00	49395.00	55187.00	51525.00	49187.00	48931.00	55885.00	61041.00	67316.00	66451.00	52840.00	55787.00	50861.00	52416.00	49298.00	45694.00	70516.00	58352.00	59881.00	50811.00	56434.00	55756.00	64780.00	72717.00	46507.00	48890.00
(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid	24859.00	32279.00	1.00	1.00	1.00	1.00	1.00	1.00	16358.00	15396.00	16585.00	15059.00	1.00	1.00	22583.00	30298.00	24145.00	18346.00	1.00	1.00	19477.00	17251.00	21177.00	28593.00	42736.00	42774.00	28316.00	25343.00	30962.00	29222.00	20432.00	29365.00	1.00	1.00	1.00	1.00	25561.00	29706.00	33835.00	33375.00	40674.00	41168.00	50207.00	44934.00	26627.00	23927.00	1.00	1.00	21938.00	23263.00	26730.00	28405.00	47008.00	41814.00
N5-Ethyl-L-glutamine	152725.00	150119.00	162340.00	166319.00	227005.00	231072.00	199292.00	194802.00	181241.00	180560.00	179026.00	169608.00	54933.00	52794.00	167110.00	165819.00	185065.00	191967.00	224006.00	223442.00	245757.00	247093.00	168758.00	170805.00	178528.00	182232.00	223462.00	218050.00	51182.00	50862.00	211920.00	50794.00	247252.00	243231.00	260766.00	273298.00	160385.00	169286.00	273347.00	275297.00	183428.00	47414.00	237651.00	226679.00	48460.00	48821.00	269205.00	259364.00	242050.00	237507.00	235230.00	243614.00	217830.00	40131.00
C43 H47 N4 O	1.00	1.00	51833.00	34762.00	57255.00	43846.00	42388.00	131013.00	27945.00	44456.00	1.00	1.00	68097.00	44866.00	1.00	1.00	34045.00	28101.00	56049.00	34822.00	97028.00	25269.00	1.00	1.00	25334.00	21597.00	102961.00	45752.00	127224.00	148358.00	36123.00	85154.00	61009.00	28332.00	23851.00	50388.00	1.00	1.00	54527.00	34839.00	38503.00	19701.00	50606.00	21305.00	1.00	1.00	19260.00	19718.00	34097.00	24845.00	33565.00	21968.00	95120.00	27942.00
1-(3-Carboxypropyl)-3,7-dimethylxanthine Esi-2.4609995	36052.00	33226.00	1.00	1.00	1.00	28339.00	1.00	1.00	28911.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	50383.00	49999.00	1.00	1.00	46206.00	43692.00	29760.00	1.00	33256.00	34491.00	1.00	1.00	66112.00	61310.00	1.00	1.00	1.00	1.00	1.00	1.00	57450.00	25093.00	58875.00	63854.00	1.00	1.00	50689.00	58347.00	1.00	1.00	1.00	26181.00	1.00	1.00	55429.00	52866.00	33062.00	1.00
C9 H20 O S3	33073.00	34438.00	29131.00	28004.00	28706.00	32412.00	27732.00	26660.00	27363.00	28994.00	31017.00	33146.00	24920.00	25829.00	28112.00	29631.00	26853.00	28625.00	24460.00	27610.00	23788.00	28260.00	28301.00	29255.00	28743.00	30486.00	25088.00	27456.00	24593.00	29473.00	25953.00	30838.00	25558.00	27693.00	26469.00	27839.00	30625.00	29608.00	23890.00	24428.00	26757.00	28270.00	24618.00	28611.00	33218.00	34124.00	30454.00	27227.00	24289.00	27303.00	27585.00	29038.00	26268.00	28592.00
C26 H51 N19 O2 S	1.00	1.00	49594.00	26513.00	87754.00	49438.00	84724.00	171753.00	66714.00	54232.00	1.00	1.00	63206.00	21376.00	1.00	1.00	20050.00	35748.00	67959.00	28532.00	96132.00	16620.00	1.00	1.00	23629.00	19743.00	107995.00	39483.00	166244.00	194949.00	38660.00	106558.00	74940.00	32355.00	1.00	86790.00	1.00	1.00	64148.00	33498.00	36490.00	21020.00	42146.00	12123.00	1.00	1.00	1.00	1.00	1.00	1.00	35148.00	17375.00	130066.00	30110.00
13(S)-HODE Esi-11.974	144428.00	85294.00	39878.00	18514.00	28401.00	64091.00	77596.00	60630.00	53793.00	34593.00	69549.00	73995.00	1.00	77278.00	95047.00	121717.00	99503.00	89301.00	166428.00	63971.00	127176.00	122911.00	85245.00	143047.00	119847.00	116060.00	64656.00	67140.00	149237.00	177706.00	153276.00	78246.00	23455.00	15939.00	50345.00	34488.00	95827.00	137238.00	83357.00	61531.00	110087.00	159048.00	190277.00	110184.00	97033.00	99354.00	13335.00	43300.00	30414.00	62979.00	108017.00	41836.00	140618.00	51498.00
1-(3-Carboxypropyl)-3,7-dimethylxanthine Esi-1.8280003	57581.00	55172.00	1.00	1.00	44928.00	46220.00	45768.00	46405.00	48737.00	47989.00	1.00	39764.00	1.00	1.00	1.00	1.00	66817.00	62492.00	34598.00	1.00	61999.00	67001.00	46339.00	46014.00	63796.00	67632.00	36476.00	37895.00	97034.00	96812.00	19533.00	36862.00	1.00	1.00	48996.00	45469.00	85285.00	84905.00	47329.00	43371.00	1.00	29032.00	90672.00	90486.00	49345.00	60517.00	48761.00	49104.00	27082.00	45726.00	96807.00	106028.00	66267.00	67961.00
C30 H59 N6 O8 S Esi-12.6	1.00	1.00	154509.00	86242.00	192742.00	113650.00	161814.00	542529.00	101650.00	162083.00	1.00	1.00	187025.00	68154.00	1.00	1.00	67743.00	50860.00	241197.00	111814.00	331853.00	64302.00	1.00	1.00	72313.00	44093.00	356295.00	130944.00	480192.00	473110.00	116967.00	351661.00	247731.00	62047.00	52932.00	192809.00	1.00	18384.00	212511.00	108235.00	118997.00	36700.00	160796.00	38708.00	1.00	1.00	17898.00	23681.00	46551.00	29716.00	103673.00	49234.00	398438.00	74820.00
C3 H8 O4	30653.00	28231.00	43888.00	43882.00	47940.00	44538.00	45524.00	41546.00	40332.00	40941.00	32676.00	29076.00	32502.00	34080.00	23868.00	23190.00	32614.00	37964.00	42067.00	39873.00	45838.00	44448.00	26149.00	26921.00	35911.00	35350.00	46505.00	41857.00	37270.00	35663.00	35209.00	34181.00	37702.00	39684.00	34674.00	34744.00	28565.00	29493.00	37794.00	35180.00	35035.00	36293.00	32360.00	32378.00	27250.00	26313.00	37612.00	38016.00	38400.00	34822.00	30013.00	32690.00	39273.00	36098.00
Glu Ile Ala	35707.00	46909.00	48952.00	35769.00	49947.00	52272.00	51010.00	50095.00	55679.00	48023.00	53626.00	51681.00	49531.00	45799.00	53530.00	53257.00	34356.00	49615.00	36209.00	51057.00	35402.00	46566.00	47198.00	45478.00	51243.00	38543.00	48320.00	36802.00	42919.00	36734.00	54840.00	36870.00	50375.00	50796.00	48511.00	35766.00	52573.00	30976.00	55782.00	47565.00	33163.00	50370.00	45226.00	49213.00	50360.00	51742.00	48961.00	34827.00	49561.00	35015.00	52067.00	53749.00	50535.00	37496.00
Lys Pro His Esi-11.439004 :2	226848.00	231758.00	71877.00	66815.00	39475.00	35395.00	53933.00	77799.00	127016.00	133463.00	165005.00	151425.00	72971.00	72247.00	256235.00	247865.00	233869.00	226421.00	139185.00	118659.00	226461.00	156680.00	235076.00	237910.00	331124.00	328734.00	244012.00	185100.00	371141.00	386564.00	219772.00	253246.00	59072.00	51314.00	79889.00	76958.00	225507.00	206660.00	453739.00	397186.00	364617.00	317764.00	447285.00	396798.00	121454.00	124302.00	67195.00	66333.00	98971.00	89117.00	172844.00	160703.00	376769.00	254948.00
C29 H47 N10 O19	1.00	1.00	19219.00	15648.00	23695.00	18094.00	23029.00	43815.00	14740.00	19345.00	1.00	1.00	20387.00	13568.00	1.00	1.00	1.00	1.00	25130.00	18035.00	33286.00	13997.00	1.00	1.00	1.00	1.00	29249.00	15946.00	42575.00	42712.00	1.00	22049.00	22912.00	12687.00	1.00	17461.00	1.00	1.00	18561.00	14289.00	16144.00	1.00	16921.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	33314.00	14048.00
C9 H3 Cl3 N2 O6 S5	37245.00	35730.00	22320.00	23385.00	25062.00	25820.00	27727.00	26176.00	28089.00	26533.00	36356.00	33098.00	27363.00	25821.00	36420.00	37815.00	29591.00	30611.00	25989.00	29747.00	28009.00	24903.00	42161.00	40150.00	33573.00	34954.00	25523.00	26638.00	23957.00	24191.00	28504.00	29189.00	25694.00	25211.00	30127.00	28012.00	39365.00	35328.00	27313.00	27932.00	26872.00	27888.00	27856.00	26342.00	34847.00	39340.00	32235.00	30005.00	31864.00	29923.00	36302.00	37995.00	27420.00	25793.00
C32 H49 N4 O19	1.00	1.00	20603.00	19033.00	11758.00	11934.00	17974.00	16097.00	13502.00	14155.00	1.00	1.00	13384.00	13489.00	1.00	1.00	1.00	1.00	18236.00	16475.00	19615.00	15519.00	1.00	1.00	1.00	1.00	19869.00	17852.00	26780.00	24881.00	11562.00	11585.00	20570.00	18044.00	10882.00	11553.00	1.00	1.00	15044.00	14220.00	16374.00	14371.00	15672.00	13686.00	1.00	1.00	12752.00	12680.00	14387.00	13667.00	1.00	1.00	18336.00	13416.00
C13 H25 N O3	26231.00	24828.00	33804.00	32264.00	40863.00	41546.00	22384.00	18588.00	23850.00	25079.00	14705.00	15521.00	18425.00	20767.00	18913.00	19468.00	19315.00	19731.00	23085.00	24148.00	17768.00	17978.00	14761.00	15424.00	13478.00	15141.00	16518.00	15990.00	20688.00	19512.00	30467.00	32116.00	22554.00	22178.00	29366.00	28046.00	17869.00	19213.00	14483.00	14528.00	21279.00	19944.00	39110.00	33926.00	17026.00	18276.00	17577.00	17658.00	16132.00	16917.00	34397.00	32172.00	15086.00	14958.00
C43 H77 N6 O11 Esi-12.743005	1.00	1.00	96043.00	59696.00	258692.00	175294.00	150089.00	494630.00	69492.00	108965.00	1.00	1.00	166471.00	79225.00	1.00	1.00	29562.00	1.00	255422.00	133552.00	172215.00	36312.00	1.00	1.00	37686.00	1.00	186934.00	66185.00	274616.00	307800.00	74009.00	196233.00	237935.00	79681.00	60454.00	145505.00	1.00	1.00	144012.00	85023.00	63134.00	1.00	79725.00	1.00	1.00	1.00	31310.00	31555.00	86207.00	64723.00	48774.00	29587.00	316862.00	94299.00
C40 H77	19885.00	19384.00	37404.00	41418.00	36584.00	36444.00	40006.00	37673.00	30110.00	29497.00	26478.00	28541.00	36800.00	34463.00	23162.00	26524.00	27631.00	27760.00	36332.00	35803.00	36245.00	36965.00	23621.00	21983.00	23602.00	24192.00	38551.00	37415.00	35745.00	36275.00	39461.00	37017.00	36679.00	31458.00	34170.00	38370.00	29751.00	28159.00	38981.00	37429.00	35766.00	33453.00	38390.00	37649.00	27867.00	25758.00	33186.00	35960.00	32543.00	34037.00	30658.00	27415.00	37128.00	40053.00
C15 H22 N2 O5	58529.00	56716.00	52362.00	40010.00	36209.00	53777.00	43832.00	28607.00	52662.00	44944.00	38504.00	49954.00	56620.00	64403.00	47919.00	55760.00	60414.00	50549.00	40179.00	41720.00	42174.00	34203.00	45264.00	51856.00	43699.00	45696.00	61513.00	55091.00	43316.00	39518.00	44665.00	32970.00	39111.00	47867.00	49914.00	45074.00	60001.00	46629.00	58062.00	50692.00	54916.00	53908.00	46084.00	39557.00	42395.00	57703.00	46145.00	73392.00	52266.00	40083.00	40259.00	46380.00	46215.00	63269.00
C16 H12 N O3 S Esi-8.854003	32096.00	35707.00	32764.00	34448.00	39174.00	38097.00	38326.00	41628.00	38700.00	39712.00	34488.00	38677.00	22516.00	25113.00	30313.00	32655.00	23512.00	22835.00	28582.00	32006.00	36823.00	37588.00	30701.00	33804.00	30767.00	36358.00	31252.00	33959.00	35318.00	36892.00	31666.00	32007.00	31947.00	32061.00	32651.00	32642.00	31244.00	34625.00	30441.00	30526.00	40148.00	40247.00	37079.00	36930.00	41469.00	38981.00	30150.00	30655.00	26315.00	26479.00	25327.00	28307.00	33767.00	34492.00
C39 H73 N O4	16313.00	17971.00	36769.00	36100.00	35029.00	34173.00	35288.00	34420.00	26720.00	25462.00	25595.00	25094.00	30744.00	35382.00	24305.00	24026.00	24104.00	26157.00	35026.00	34333.00	32909.00	33996.00	21965.00	22483.00	22797.00	23782.00	34998.00	36256.00	35275.00	36842.00	33016.00	35467.00	35507.00	33843.00	32438.00	30590.00	22458.00	24450.00	34668.00	34222.00	34028.00	34040.00	35242.00	36760.00	24851.00	21351.00	32270.00	32878.00	27883.00	32008.00	25756.00	25810.00	32819.00	34479.00
(3R)-3-isopropenyl-6-oxoheptanoic acid Esi-6.9259977	41068.00	41502.00	27649.00	45936.00	40146.00	1.00	1.00	1.00	26255.00	43302.00	27409.00	1.00	45067.00	56481.00	74191.00	42718.00	55461.00	55225.00	1.00	1.00	51678.00	52225.00	35485.00	1.00	59493.00	65785.00	48188.00	52070.00	38596.00	33452.00	49310.00	47739.00	1.00	30248.00	37781.00	1.00	31387.00	37951.00	46049.00	33632.00	43653.00	40618.00	45746.00	52092.00	1.00	1.00	37310.00	1.00	31423.00	35671.00	23096.00	48839.00	27682.00	31145.00
C31 H51 N5 O30	1.00	1.00	35253.00	33160.00	39505.00	39515.00	42686.00	36598.00	35827.00	36393.00	16849.00	16827.00	35945.00	33650.00	15067.00	15583.00	13427.00	13066.00	45359.00	41654.00	44510.00	37915.00	16462.00	17206.00	17162.00	16493.00	43172.00	37980.00	45550.00	42171.00	31123.00	33899.00	41606.00	38201.00	29243.00	33231.00	14503.00	13701.00	41070.00	39405.00	38726.00	36536.00	36603.00	32444.00	1.00	1.00	33037.00	31478.00	35074.00	34918.00	13724.00	1.00	41744.00	36302.00
C16 H Cl3 O2 S2	29401.00	28638.00	13616.00	10694.00	13362.00	11711.00	12939.00	14471.00	17081.00	16208.00	25660.00	25518.00	15657.00	16720.00	24137.00	28621.00	25280.00	27218.00	14130.00	14491.00	13400.00	13064.00	27519.00	24396.00	25476.00	26882.00	14496.00	14181.00	14563.00	13605.00	13332.00	15242.00	15729.00	13996.00	19794.00	17259.00	24939.00	28449.00	16683.00	15103.00	18136.00	16858.00	14386.00	15835.00	27353.00	28537.00	15838.00	18828.00	17984.00	15567.00	26232.00	27960.00	16170.00	14191.00
C17 H32 N4 O14	51635.00	52355.00	1.00	1.00	1.00	1.00	1.00	1.00	32019.00	32725.00	40505.00	39036.00	1.00	1.00	59790.00	57969.00	53728.00	53881.00	32383.00	31201.00	50787.00	38686.00	53224.00	51894.00	69829.00	65348.00	52056.00	40886.00	67985.00	65081.00	46783.00	52100.00	1.00	1.00	19703.00	1.00	48724.00	50849.00	80383.00	77074.00	72791.00	70533.00	85361.00	75506.00	31632.00	31302.00	1.00	17898.00	24165.00	23110.00	40851.00	39270.00	68215.00	53182.00
C28 H46 N2 O10 S	1.00	1.00	9330.00	1.00	12409.00	5309.00	12503.00	42773.00	4988.00	10194.00	1.00	1.00	11748.00	1.00	1.00	1.00	1.00	1.00	17382.00	6281.00	18736.00	1.00	1.00	1.00	3063.00	1.00	22429.00	8433.00	30484.00	29285.00	3052.00	14796.00	15568.00	1.00	1.00	8671.00	1.00	1.00	13779.00	6668.00	8513.00	1.00	10498.00	1.00	1.00	1.00	264.00	1.00	1.00	1.00	5330.00	1.00	21903.00	3751.00
Dehydrojuvabione Esi-9.741002	26536.00	21753.00	20300.00	18611.00	23524.00	17954.00	20084.00	32504.00	75432.00	28989.00	28619.00	12629.00	37649.00	24551.00	27065.00	25497.00	56282.00	42625.00	22634.00	41180.00	34900.00	36452.00	28976.00	24878.00	46153.00	41140.00	35223.00	26685.00	51340.00	48092.00	41038.00	45610.00	38369.00	20157.00	24343.00	26376.00	21753.00	24898.00	24323.00	34642.00	49359.00	29344.00	70223.00	18561.00	23519.00	29998.00	28795.00	20527.00	27379.00	34166.00	36846.00	35604.00	62393.00	30861.00
C17 H28 O3 S	122564.00	120178.00	137918.00	130353.00	124778.00	130531.00	140662.00	143223.00	142203.00	128401.00	134565.00	139216.00	131548.00	129572.00	114430.00	114390.00	136903.00	137643.00	143003.00	139774.00	120499.00	133390.00	131719.00	129205.00	106829.00	131719.00	146107.00	130819.00	121916.00	145578.00	135491.00	134733.00	135150.00	124966.00	124186.00	131802.00	130800.00	134685.00	133421.00	140727.00	141764.00	138951.00	136996.00	113935.00	111449.00	114993.00	112284.00	122538.00	129039.00	121372.00	136213.00	121234.00	118833.00	111794.00
C8 H6 N7 S	1.00	1.00	17690.00	16543.00	27357.00	28063.00	29552.00	26468.00	23026.00	20950.00	35747.00	34400.00	14924.00	17357.00	32173.00	35493.00	15580.00	16404.00	23616.00	27499.00	20887.00	21458.00	33714.00	31059.00	28754.00	26011.00	23939.00	21715.00	32487.00	32340.00	37520.00	38452.00	40236.00	42531.00	32093.00	32852.00	21731.00	20717.00	18915.00	22296.00	22844.00	18174.00	16489.00	16036.00	27803.00	27462.00	26283.00	25492.00	27343.00	28685.00	35333.00	39019.00	35228.00	35153.00
10,15-Octadecadienoic acid, 9,12,13-trihydroxy-	1.00	30502.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	31035.00	1.00	1.00	1.00	42626.00	22689.00	1.00	28215.00	1.00	31342.00	1.00	1.00	38526.00	34771.00	38467.00	36445.00	30447.00	51772.00	67674.00	29458.00	41719.00	1.00	1.00	1.00	1.00	24320.00	37365.00	48245.00	46509.00	34429.00	33541.00	47524.00	46713.00	1.00	1.00	1.00	1.00	1.00	1.00	27350.00	30065.00	56039.00	38232.00
C33 H62 N2 O10	14045.00	15460.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	23445.00	22903.00	16407.00	18469.00	1.00	1.00	22734.00	1.00	22698.00	19409.00	54332.00	50989.00	25578.00	1.00	96121.00	108289.00	15489.00	25240.00	1.00	1.00	1.00	1.00	15885.00	15380.00	114846.00	84037.00	68940.00	46765.00	123347.00	75625.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	83201.00	23422.00
C45 H79 N3 O13 Esi-12.808005 :1	1.00	1.00	130040.00	67744.00	187706.00	110249.00	154114.00	306743.00	110839.00	185936.00	1.00	1.00	214464.00	81627.00	1.00	1.00	63678.00	43901.00	252862.00	127195.00	279124.00	59598.00	1.00	1.00	69709.00	46584.00	197779.00	99697.00	525688.00	550455.00	77432.00	269331.00	277184.00	77183.00	46685.00	130302.00	1.00	1.00	209322.00	120413.00	118710.00	39810.00	137448.00	31621.00	1.00	1.00	26466.00	28476.00	58975.00	32880.00	92650.00	46113.00	547762.00	111948.00
C38 H53 N14 S	1.00	1.00	20726.00	25382.00	11846.00	21676.00	10661.00	62693.00	12957.00	18090.00	1.00	1.00	18673.00	13617.00	1.00	1.00	1.00	1.00	16384.00	10136.00	15795.00	1.00	1.00	1.00	9808.00	1.00	14345.00	1.00	50463.00	32483.00	17993.00	26120.00	16802.00	27601.00	18226.00	21563.00	1.00	1.00	16811.00	12494.00	1.00	1.00	53530.00	1.00	1.00	1.00	1.00	1.00	19771.00	1.00	16678.00	1.00	28933.00	14942.00
C22 H44 N11 O2	38279.00	1.00	12463.00	1.00	42648.00	40858.00	11277.00	26142.00	28640.00	34821.00	117238.00	1.00	13873.00	1.00	1.00	1.00	12411.00	1.00	65300.00	36221.00	78071.00	38886.00	1.00	1.00	16992.00	1.00	53070.00	42408.00	53539.00	10556.00	36428.00	53145.00	64449.00	61929.00	1.00	39083.00	1.00	1.00	14956.00	34484.00	72283.00	1.00	27222.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	39165.00	1.00	1.00	81286.00
C27 H20 N15 O16	40452.00	44024.00	1.00	1.00	1.00	1.00	1.00	1.00	22400.00	22623.00	33208.00	33058.00	1.00	1.00	46458.00	43830.00	40559.00	39767.00	24431.00	23950.00	35553.00	30762.00	43941.00	43360.00	47433.00	51263.00	34635.00	31693.00	40025.00	36480.00	36388.00	35367.00	1.00	1.00	1.00	1.00	42476.00	41773.00	57124.00	53222.00	53649.00	52352.00	58450.00	58801.00	25879.00	27395.00	1.00	1.00	19183.00	1.00	32900.00	31596.00	43794.00	39461.00
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol Esi-13.752007	1.00	1.00	31296.00	20812.00	36716.00	28108.00	32490.00	1.00	31200.00	28947.00	1.00	1.00	35693.00	23477.00	1.00	1.00	13788.00	1.00	36674.00	28727.00	31242.00	15297.00	16556.00	19199.00	14609.00	16621.00	31656.00	30760.00	1.00	1.00	21439.00	26518.00	30494.00	15899.00	21312.00	27339.00	1.00	16998.00	24530.00	28555.00	27788.00	13508.00	25095.00	18470.00	1.00	1.00	1.00	10188.00	21445.00	25351.00	25374.00	22344.00	1.00	22192.00
C7 H2 N3 O6 S	26826.00	30775.00	12464.00	12850.00	16213.00	16677.00	33992.00	35657.00	41610.00	40845.00	33301.00	32886.00	34396.00	33552.00	30082.00	33021.00	33834.00	37343.00	30653.00	28473.00	30962.00	32480.00	29455.00	29707.00	39091.00	37947.00	26740.00	24621.00	31986.00	30344.00	40584.00	39248.00	22310.00	26659.00	40061.00	43859.00	33618.00	34209.00	38449.00	34916.00	38073.00	36362.00	35995.00	30929.00	35013.00	33224.00	41807.00	41978.00	39600.00	40573.00	32576.00	35866.00	36290.00	34729.00
L-Ribulose Esi-1.0019996	146872.00	145540.00	191676.00	190557.00	241601.00	250053.00	216575.00	213259.00	183783.00	186360.00	176863.00	172799.00	185186.00	205564.00	155972.00	151375.00	181629.00	192527.00	240754.00	231431.00	259061.00	259710.00	156647.00	162200.00	174911.00	177204.00	236726.00	230465.00	211702.00	205306.00	212764.00	210087.00	256857.00	260925.00	259136.00	270227.00	154906.00	163592.00	281556.00	287473.00	186732.00	188711.00	250603.00	236903.00	170416.00	176083.00	275531.00	279205.00	237677.00	234655.00	231004.00	238076.00	222364.00	209296.00
2,4-Diamino-6,7-dimethoxyquinazoline Esi-1.5729986	187855.00	182864.00	75281.00	80432.00	140663.00	132041.00	145490.00	134846.00	137821.00	136329.00	131617.00	125576.00	89863.00	88051.00	101865.00	101185.00	196941.00	193135.00	108398.00	108178.00	196989.00	203338.00	144142.00	148085.00	196361.00	193025.00	112758.00	110266.00	290913.00	292636.00	110687.00	116887.00	108474.00	103424.00	152123.00	151463.00	278320.00	265405.00	239257.00	238965.00	193211.00	175613.00	283911.00	284181.00	160141.00	173561.00	155940.00	145565.00	140792.00	140494.00	288610.00	286110.00	203036.00	206096.00
?-D-Glucose Esi-1.0919993	1.00	1.00	1.00	102024.00	130293.00	45092.00	121987.00	110843.00	102805.00	132162.00	102145.00	114014.00	104659.00	88914.00	67872.00	1.00	119454.00	130902.00	111194.00	103619.00	168446.00	168947.00	88967.00	92923.00	160049.00	150609.00	112358.00	131593.00	141202.00	1.00	90209.00	1.00	121232.00	103059.00	113038.00	114486.00	102568.00	97666.00	99112.00	94739.00	87757.00	129792.00	80421.00	89212.00	1.00	76928.00	148465.00	139201.00	138501.00	169189.00	117514.00	117395.00	128270.00	110477.00
C33 H45 N14	1.00	1.00	45044.00	33167.00	71426.00	27072.00	43991.00	133163.00	21730.00	50797.00	1.00	1.00	42628.00	42285.00	1.00	1.00	1.00	1.00	33813.00	16029.00	48018.00	1.00	1.00	1.00	1.00	1.00	10833.00	19295.00	120523.00	148715.00	40845.00	89427.00	36455.00	1.00	1.00	55365.00	1.00	1.00	25822.00	1.00	30164.00	1.00	39914.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	34775.00	1.00	53453.00	15859.00
C3 H2 N O3 S	38681.00	39601.00	11871.00	12005.00	12765.00	11855.00	18696.00	16033.00	21840.00	23145.00	33657.00	32292.00	20128.00	22855.00	32759.00	36106.00	32796.00	32572.00	18182.00	17680.00	15372.00	19435.00	38408.00	41721.00	41308.00	35834.00	16143.00	21269.00	15156.00	17331.00	22505.00	18164.00	13643.00	14226.00	21383.00	25847.00	32195.00	36074.00	21062.00	17045.00	20308.00	19154.00	18864.00	22661.00	32789.00	36722.00	27401.00	30598.00	22029.00	23876.00	37300.00	38882.00	21458.00	23730.00
C8 H4 N4 O9 S	43269.00	44567.00	30293.00	29584.00	32334.00	30262.00	33416.00	34396.00	35805.00	32397.00	41470.00	40758.00	33943.00	32776.00	40001.00	42569.00	41177.00	42272.00	29522.00	31958.00	28945.00	33304.00	41266.00	43888.00	39904.00	42431.00	31443.00	30847.00	28349.00	29435.00	30516.00	32910.00	32685.00	31172.00	33462.00	33938.00	39784.00	39489.00	34198.00	30295.00	34543.00	34606.00	32543.00	31046.00	38303.00	38114.00	33079.00	34848.00	35017.00	33073.00	40575.00	38876.00	31070.00	31633.00
C6 H8 N4 O4	29590.00	30856.00	31100.00	28321.00	35564.00	36626.00	32354.00	35582.00	40791.00	37797.00	42310.00	40089.00	34213.00	31498.00	19343.00	18972.00	33217.00	32774.00	30055.00	29933.00	24532.00	23777.00	23428.00	23428.00	35117.00	29680.00	35511.00	35913.00	32047.00	29990.00	36845.00	34157.00	44343.00	38354.00	31398.00	30018.00	26020.00	25238.00	26266.00	25946.00	34626.00	30488.00	30252.00	32784.00	34231.00	33003.00	42849.00	41485.00	39096.00	37919.00	31763.00	31026.00	33092.00	35309.00
PE(19:0/0:0) Esi-11.3980055 :1	31332.00	31866.00	243656.00	194591.00	271650.00	206032.00	245492.00	700865.00	171443.00	201244.00	54727.00	64993.00	238441.00	162519.00	50785.00	51160.00	95929.00	85331.00	249390.00	172284.00	409577.00	154065.00	55438.00	50987.00	82835.00	71298.00	325123.00	158004.00	647587.00	673652.00	129379.00	260016.00	265967.00	149121.00	132195.00	210196.00	45742.00	65260.00	245219.00	176017.00	155621.00	102451.00	166390.00	88362.00	40568.00	43591.00	101317.00	106040.00	137664.00	123166.00	117176.00	73455.00	392544.00	145062.00
PS(21:0/0:0) Esi-11.638	1.00	1.00	50658.00	42422.00	53533.00	44554.00	52770.00	121067.00	39677.00	43901.00	15385.00	17441.00	51547.00	42264.00	14375.00	14655.00	21427.00	20654.00	55224.00	39665.00	87741.00	39747.00	14314.00	13743.00	21511.00	16921.00	66929.00	39131.00	118075.00	121251.00	34670.00	55301.00	58063.00	35199.00	30723.00	42958.00	1.00	15977.00	57993.00	44637.00	40191.00	28669.00	40555.00	23527.00	1.00	1.00	26537.00	24401.00	34448.00	31468.00	24319.00	17951.00	83556.00	35985.00
12R,13S-epoxy-9S-hydroxy-10E-octadecenoic acid Esi-10.308003	73131.00	72171.00	29816.00	29798.00	15717.00	20193.00	20754.00	16158.00	34875.00	33207.00	47571.00	45325.00	36449.00	35649.00	89850.00	87568.00	65149.00	64591.00	57452.00	55024.00	54964.00	56126.00	62502.00	60164.00	84568.00	81728.00	59425.00	56630.00	72036.00	76008.00	101508.00	104160.00	24429.00	22181.00	38875.00	44368.00	69939.00	79931.00	119097.00	125259.00	86433.00	85708.00	110574.00	97040.00	59288.00	65644.00	25478.00	27410.00	52062.00	55667.00	77924.00	83702.00	102593.00	106212.00
Ile Ser His	8999.00	11417.00	1.00	1.00	13932.00	12101.00	11895.00	10230.00	16473.00	17814.00	15476.00	17374.00	1.00	1.00	1.00	1.00	21025.00	20701.00	9644.00	10477.00	20806.00	19526.00	10962.00	12337.00	15310.00	15466.00	11007.00	10714.00	26044.00	25933.00	1.00	1.00	1.00	1.00	11291.00	10705.00	24833.00	24149.00	33111.00	38881.00	13296.00	13490.00	23870.00	25564.00	11284.00	12550.00	15033.00	15971.00	12599.00	12671.00	30071.00	29987.00	18944.00	21700.00
m-Trifluoromethylhippuric acid	17949.00	16789.00	16415.00	17587.00	32472.00	29739.00	28053.00	28701.00	23057.00	22194.00	20966.00	19630.00	27025.00	27702.00	33138.00	34633.00	26041.00	25848.00	37929.00	36953.00	26975.00	25647.00	28442.00	27097.00	22253.00	19520.00	34097.00	34037.00	30536.00	27492.00	19304.00	19746.00	37465.00	38223.00	18522.00	21163.00	26660.00	26013.00	19115.00	18014.00	38436.00	38430.00	32154.00	31056.00	35188.00	30327.00	39828.00	39500.00	30066.00	29651.00	35251.00	37262.00	26854.00	27473.00
3-Hydroxy-2-naphthoate Esi-0.9049997	30847.00	29367.00	61812.00	62792.00	67245.00	66968.00	76601.00	72069.00	71376.00	75305.00	77424.00	82186.00	74113.00	73882.00	38506.00	41573.00	79351.00	86377.00	69640.00	65071.00	83056.00	77703.00	37804.00	36139.00	76056.00	79481.00	82389.00	85145.00	72820.00	70848.00	71618.00	67742.00	74965.00	75938.00	76582.00	77702.00	72447.00	74664.00	77099.00	76067.00	78518.00	78018.00	78884.00	71054.00	66472.00	71231.00	83906.00	82644.00	87065.00	87902.00	83468.00	82306.00	83257.00	77536.00
C33 H53 O11 Esi-12.002008	1.00	1.00	139525.00	89027.00	167671.00	115122.00	120425.00	484258.00	95496.00	144421.00	1.00	23638.00	182029.00	76375.00	1.00	1.00	82715.00	59791.00	139959.00	74935.00	262407.00	58598.00	19718.00	20903.00	62779.00	50913.00	285143.00	108830.00	487025.00	553430.00	104374.00	300120.00	175296.00	49804.00	45502.00	147793.00	1.00	22018.00	152191.00	82450.00	100568.00	35575.00	148653.00	43872.00	1.00	1.00	22847.00	24274.00	48305.00	33578.00	106605.00	53969.00	302610.00	77503.00
C12 H2 O3 S3	24874.00	22811.00	1.00	1.00	1.00	1.00	1.00	1.00	18533.00	14313.00	21163.00	21759.00	1.00	13267.00	21929.00	22227.00	19353.00	20455.00	1.00	13065.00	1.00	1.00	21006.00	29675.00	24234.00	21391.00	1.00	1.00	1.00	1.00	11969.00	12752.00	1.00	1.00	12760.00	11838.00	21778.00	22883.00	13606.00	12593.00	1.00	13954.00	12687.00	11309.00	22735.00	22171.00	13319.00	15429.00	13879.00	13407.00	20449.00	21764.00	1.00	12626.00
Obliquine Esi-11.458006	52303.00	50559.00	1.00	1.00	1.00	1.00	1.00	1.00	28708.00	30553.00	39452.00	35980.00	1.00	1.00	59782.00	59340.00	49672.00	52959.00	32047.00	28215.00	48361.00	36404.00	51285.00	52171.00	69140.00	67086.00	53082.00	41089.00	68315.00	68022.00	45829.00	49725.00	1.00	1.00	1.00	1.00	48966.00	47210.00	85240.00	84342.00	77280.00	67515.00	90995.00	77652.00	32031.00	27965.00	1.00	1.00	22764.00	21006.00	39018.00	36226.00	70430.00	51536.00
C22 H9 N3 O2	43435.00	44077.00	1.00	1.00	1.00	1.00	10565.00	10248.00	22007.00	22446.00	38604.00	34733.00	18555.00	17095.00	29207.00	30363.00	36550.00	38748.00	9081.00	10049.00	11729.00	9861.00	39284.00	38996.00	39133.00	37885.00	1.00	11496.00	9903.00	11515.00	15629.00	15446.00	1.00	9140.00	16724.00	19042.00	36952.00	36193.00	14194.00	14893.00	17338.00	18774.00	15079.00	11539.00	38742.00	37293.00	17625.00	18420.00	21042.00	20434.00	38703.00	39056.00	9712.00	11682.00
2-Iodophenol Esi-1.1757107	1.00	43761.00	27615.00	33068.00	1.00	1.00	1.00	23794.00	38413.00	1.00	28629.00	1.00	1.00	37380.00	30231.00	30477.00	38436.00	37287.00	57050.00	32843.00	46138.00	1.00	1.00	32810.00	38937.00	35759.00	35845.00	34929.00	25019.00	1.00	37355.00	35660.00	37655.00	1.00	111468.00	39052.00	31310.00	30268.00	28072.00	36935.00	44934.00	36434.00	34210.00	34028.00	42379.00	36682.00	34762.00	48175.00	1.00	1.00	37156.00	30515.00	33105.00	29837.00
C28 H43 N10 O5	21816.00	23561.00	18624.00	19941.00	20154.00	20181.00	22906.00	24366.00	19373.00	20694.00	34540.00	36025.00	18312.00	23454.00	44117.00	40516.00	31688.00	29598.00	19061.00	18315.00	24318.00	23359.00	31415.00	29608.00	41942.00	39820.00	20335.00	20687.00	24390.00	25681.00	31413.00	30504.00	21689.00	18581.00	22298.00	25037.00	32911.00	31099.00	18000.00	18449.00	20970.00	18472.00	16863.00	18396.00	43649.00	47725.00	19834.00	19642.00	19597.00	20803.00	41521.00	41746.00	24112.00	22082.00
C25 H56 N3 O17 S	14985.00	17304.00	23504.00	24816.00	25840.00	27471.00	27770.00	24718.00	19519.00	19227.00	28053.00	28054.00	21809.00	21657.00	24425.00	25941.00	24054.00	24626.00	23589.00	25152.00	26041.00	26821.00	27584.00	27392.00	27902.00	28303.00	30753.00	30052.00	25451.00	25802.00	25044.00	24945.00	24811.00	25413.00	25987.00	26561.00	26728.00	27515.00	29548.00	29943.00	31494.00	31511.00	29501.00	29091.00	25335.00	28448.00	33631.00	32949.00	33980.00	31802.00	35679.00	35151.00	31824.00	32661.00
C21 H25 N10 O16	30466.00	31237.00	22507.00	25470.00	28993.00	31746.00	20311.00	15581.00	24606.00	22158.00	35818.00	35057.00	21955.00	22459.00	31921.00	35873.00	27619.00	26022.00	23294.00	23803.00	20424.00	20868.00	21829.00	22272.00	40264.00	41785.00	39461.00	39727.00	25429.00	25352.00	26652.00	25393.00	30746.00	33099.00	30982.00	30196.00	28042.00	27112.00	26880.00	29260.00	24978.00	23861.00	26924.00	26887.00	28147.00	27040.00	28912.00	27833.00	26738.00	25657.00	28579.00	30061.00	27569.00	28189.00
C16 H41 N9 O12 S	22581.00	23503.00	29777.00	30283.00	32004.00	33182.00	36782.00	35835.00	25181.00	22997.00	29450.00	29071.00	27555.00	30638.00	29433.00	29010.00	28504.00	28323.00	28166.00	30880.00	34902.00	33066.00	31620.00	30974.00	37919.00	37935.00	35476.00	34777.00	33864.00	32352.00	31748.00	32902.00	30584.00	30090.00	35047.00	31835.00	34470.00	30563.00	37022.00	35969.00	38932.00	37944.00	36654.00	36068.00	34892.00	35075.00	38583.00	35464.00	35556.00	35694.00	38070.00	37895.00	36270.00	36063.00
2-O-Caffeoylglucarate Esi-10.441	32663.00	36721.00	38105.00	39690.00	41801.00	43985.00	38738.00	34878.00	36250.00	36790.00	33458.00	33778.00	33084.00	33942.00	40178.00	39857.00	33464.00	32506.00	32724.00	34862.00	37023.00	34428.00	32980.00	32530.00	31599.00	32757.00	31530.00	31954.00	33129.00	33777.00	39139.00	41089.00	38768.00	39778.00	38192.00	41137.00	39364.00	38175.00	34313.00	34245.00	38768.00	35577.00	32504.00	34566.00	39887.00	37317.00	30766.00	31927.00	36303.00	36183.00	33366.00	32088.00	41337.00	40458.00
C12 H10 N3 O9 S	30886.00	30668.00	20616.00	21981.00	21567.00	22702.00	25349.00	25248.00	26803.00	24516.00	34719.00	35095.00	27676.00	27301.00	35708.00	37420.00	27857.00	32132.00	26316.00	28932.00	23921.00	27532.00	39987.00	41370.00	33961.00	31688.00	24802.00	23841.00	27059.00	27402.00	26476.00	25581.00	23009.00	24602.00	26982.00	26659.00	32023.00	33893.00	28417.00	26711.00	32787.00	30874.00	24438.00	27247.00	32485.00	33219.00	28356.00	26871.00	25791.00	26184.00	36631.00	33110.00	28769.00	27920.00
C12 H24 O10	13983.00	14523.00	1.00	1.00	11025.00	10528.00	9397.00	1.00	12030.00	12679.00	12292.00	11020.00	1.00	1.00	1.00	1.00	17585.00	17457.00	1.00	1.00	15482.00	16597.00	11348.00	11461.00	14741.00	13682.00	1.00	1.00	23891.00	24010.00	1.00	1.00	1.00	1.00	1.00	9516.00	19691.00	19073.00	19898.00	20152.00	1.00	10173.00	16057.00	17337.00	12253.00	11508.00	10473.00	9784.00	1.00	1.00	16593.00	15425.00	11361.00	10970.00
13Z-octadecenoic acid Esi-13.49101	26385.00	19885.00	61257.00	27584.00	80742.00	41447.00	70715.00	355433.00	86722.00	130953.00	22085.00	28640.00	87310.00	28765.00	23622.00	15718.00	60345.00	47082.00	262791.00	100625.00	464561.00	64832.00	41657.00	39792.00	91393.00	60718.00	522563.00	153201.00	1194035.00	1350025.00	111468.00	401916.00	111828.00	25831.00	26409.00	94695.00	28064.00	46124.00	572308.00	285186.00	287730.00	85404.00	478842.00	104345.00	14175.00	15655.00	15584.00	17075.00	45310.00	24085.00	122733.00	60354.00	1152453.00	199509.00
C6 H12 N6 S2	65520.00	62646.00	23052.00	25619.00	26519.00	27868.00	42820.00	39934.00	60114.00	57669.00	63596.00	65969.00	47519.00	48930.00	50035.00	52606.00	67362.00	70574.00	42432.00	39680.00	49643.00	51797.00	61730.00	63277.00	69885.00	69759.00	48367.00	45673.00	41717.00	42165.00	50505.00	46147.00	38493.00	41784.00	58982.00	56061.00	65590.00	70399.00	49253.00	53700.00	45938.00	48891.00	50971.00	51499.00	60986.00	62696.00	61198.00	60077.00	64115.00	63736.00	72125.00	78115.00	46532.00	45108.00
N2,N2-Dimethylguanosine	19006.00	19572.00	30279.00	25105.00	27911.00	22414.00	22920.00	22159.00	19063.00	18922.00	18342.00	19135.00	31040.00	31964.00	22135.00	19883.00	23394.00	26339.00	18878.00	19145.00	20637.00	22317.00	14898.00	17689.00	19846.00	21636.00	26504.00	26728.00	34183.00	29691.00	30875.00	25136.00	25480.00	24424.00	22471.00	22381.00	23156.00	22037.00	17517.00	18745.00	28829.00	28889.00	35083.00	31870.00	28074.00	27869.00	27052.00	24697.00	26709.00	27143.00	19974.00	23562.00	22513.00	20858.00
C31 H49 N3 O8 Esi-11.506003	1.00	1.00	25157.00	21018.00	29114.00	26292.00	37306.00	28880.00	12771.00	15572.00	1.00	1.00	33528.00	10234.00	1.00	1.00	1.00	1.00	39461.00	27720.00	58538.00	23465.00	1.00	1.00	1.00	1.00	60822.00	29341.00	16349.00	26179.00	1.00	31542.00	36746.00	26155.00	1.00	22161.00	1.00	1.00	36029.00	21178.00	12525.00	21904.00	25838.00	1.00	1.00	1.00	20301.00	21990.00	27901.00	25075.00	1.00	1.00	49025.00	1.00
C4 H6 S	68479.00	47198.00	31672.00	34592.00	28552.00	12956.00	41088.00	17669.00	54276.00	20183.00	52485.00	54827.00	80011.00	86752.00	116075.00	113274.00	99699.00	94837.00	17118.00	36911.00	20534.00	49493.00	91040.00	63375.00	30456.00	30051.00	67977.00	65365.00	21358.00	22027.00	32452.00	28696.00	32656.00	37558.00	48770.00	18715.00	27061.00	25831.00	31780.00	37529.00	37444.00	38720.00	37291.00	36943.00	31830.00	31981.00	46963.00	49190.00	22312.00	23452.00	50042.00	44183.00	18600.00	23022.00
Pyroglutamic acid	28273.00	27591.00	51093.00	47975.00	40778.00	41685.00	31998.00	30436.00	36413.00	28709.00	36099.00	33192.00	36364.00	33974.00	33069.00	27003.00	24986.00	25987.00	30532.00	39384.00	25749.00	27755.00	28175.00	35305.00	33851.00	34787.00	39782.00	30361.00	42310.00	40106.00	33336.00	42436.00	27840.00	29233.00	26855.00	27422.00	33660.00	34486.00	40356.00	38173.00	30325.00	36380.00	39783.00	33017.00	34573.00	35486.00	31955.00	32658.00	29537.00	30748.00	29209.00	39590.00	43566.00	44730.00
Cytidine	26009.00	25103.00	25243.00	28165.00	31251.00	33002.00	29401.00	26671.00	33092.00	29620.00	32206.00	29751.00	30278.00	34217.00	27878.00	31320.00	32622.00	31254.00	28525.00	25978.00	34032.00	32262.00	24055.00	27801.00	36088.00	38219.00	37910.00	39310.00	42234.00	42170.00	34671.00	36812.00	33155.00	34796.00	28525.00	31081.00	36902.00	35400.00	37938.00	35658.00	35487.00	38289.00	35641.00	37883.00	41367.00	33329.00	40703.00	38496.00	34518.00	34008.00	33277.00	37322.00	34393.00	34268.00
C9 H6 N O5	41020.00	42197.00	1.00	1.00	1.00	1.00	12962.00	13834.00	22070.00	22705.00	37056.00	35960.00	25258.00	22597.00	39260.00	39044.00	35841.00	37308.00	16967.00	16718.00	15233.00	16149.00	42808.00	39311.00	35562.00	38130.00	12992.00	13518.00	15229.00	15123.00	18433.00	18925.00	13534.00	13336.00	21591.00	22117.00	36447.00	37195.00	18137.00	18281.00	21450.00	23417.00	20730.00	18147.00	35130.00	36763.00	20701.00	18019.00	21708.00	22710.00	33708.00	35832.00	14800.00	16080.00
C18 H42 N16 S	1.00	1.00	15870.00	1.00	17511.00	1.00	15317.00	46209.00	12019.00	16626.00	1.00	1.00	19553.00	1.00	1.00	1.00	1.00	1.00	20653.00	1.00	20556.00	1.00	1.00	1.00	1.00	1.00	24433.00	1.00	45406.00	41560.00	10646.00	35907.00	16583.00	1.00	1.00	16692.00	1.00	1.00	19732.00	1.00	13069.00	1.00	12732.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	24485.00	13195.00	36161.00	1.00
1-Hydroxy-2-naphthoic acid	31649.00	29110.00	65873.00	66073.00	99240.00	1294964.00	77200.00	76387.00	49899.00	53378.00	59418.00	56298.00	27913.00	26227.00	28526.00	28788.00	47641.00	49389.00	36521.00	34209.00	47486.00	47919.00	37944.00	40682.00	43607.00	44902.00	51423.00	49915.00	573975.00	24661.00	24401.00	25935.00	55311.00	53360.00	54800.00	51224.00	552338.00	540256.00	25490.00	616154.00	28593.00	25278.00	24434.00	23116.00	42522.00	47415.00	80373.00	73398.00	77874.00	78908.00	43378.00	44333.00	42809.00	39769.00
Cer(d18:1/24:0)	31922.00	29629.00	31628.00	32694.00	33628.00	33680.00	32385.00	33915.00	31278.00	29185.00	34267.00	34956.00	32331.00	33219.00	37032.00	33124.00	35973.00	34067.00	32575.00	32551.00	35059.00	31573.00	35309.00	31066.00	33018.00	35385.00	30969.00	32110.00	30716.00	31589.00	30571.00	32382.00	33693.00	31436.00	34010.00	36014.00	34308.00	34202.00	31018.00	32057.00	32915.00	33033.00	31405.00	31768.00	33415.00	33573.00	32925.00	32908.00	32936.00	33518.00	33316.00	35964.00	31095.00	30487.00
C3 H2 N2 O5 S	37827.00	42773.00	1.00	14697.00	1.00	1.00	28099.00	27568.00	27851.00	25470.00	41945.00	36268.00	28271.00	22451.00	37450.00	40471.00	33356.00	33230.00	21769.00	24069.00	30440.00	26847.00	46997.00	46254.00	41072.00	36099.00	22036.00	22471.00	27301.00	24729.00	38912.00	39081.00	19312.00	19122.00	32812.00	38324.00	40255.00	41389.00	33823.00	31465.00	33784.00	33722.00	32949.00	33455.00	38062.00	43313.00	39335.00	38979.00	36379.00	35933.00	41425.00	42093.00	32751.00	28413.00
C4 H6 N6 O4 Esi-1.266999	1161602.00	1145908.00	1488239.00	1414590.00	1608217.00	1676972.00	1564193.00	454053.00	1397614.00	1375763.00	1434915.00	1412733.00	1255704.00	1274759.00	1240364.00	1240529.00	1295943.00	1302934.00	1361087.00	1357592.00	1425405.00	1434965.00	1290290.00	1255399.00	1226649.00	1213894.00	1472549.00	1402370.00	1104698.00	1109303.00	1170540.00	1159913.00	1430455.00	1445159.00	1361031.00	1376222.00	996004.00	1042437.00	1180038.00	1195595.00	1283231.00	1242211.00	1180680.00	1141247.00	1255074.00	1288296.00	1517915.00	1561710.00	1447496.00	1472942.00	1175586.00	1217185.00	1298135.00	1272722.00
5-Hydroxymethyl-2-furaldehyde	12436.00	14816.00	18087.00	17377.00	22358.00	14784.00	14807.00	14339.00	18807.00	14466.00	1.00	16097.00	20092.00	28143.00	18462.00	20007.00	23829.00	29262.00	17353.00	18421.00	16924.00	15461.00	14720.00	24096.00	28273.00	26152.00	29919.00	22941.00	12323.00	46067.00	17827.00	27484.00	17401.00	20186.00	26898.00	24713.00	17562.00	17652.00	25162.00	20107.00	19295.00	24610.00	21886.00	26071.00	23356.00	25479.00	23978.00	29810.00	19554.00	12742.00	22082.00	23222.00	25802.00	14165.00
C12 H12 N3 O4	49106.00	50504.00	51228.00	53841.00	43584.00	43339.00	48105.00	53176.00	70691.00	65259.00	46600.00	47142.00	70990.00	57914.00	28116.00	26571.00	56803.00	58686.00	27528.00	30868.00	60073.00	77129.00	45371.00	48643.00	70168.00	64358.00	36275.00	39162.00	83577.00	80413.00	60727.00	60977.00	49025.00	48046.00	67651.00	65373.00	85300.00	82935.00	76433.00	78177.00	62163.00	76363.00	73137.00	72888.00	69576.00	73820.00	58520.00	65473.00	68966.00	68985.00	63958.00	58834.00	63629.00	63330.00
C8 H17 N O12	42523.00	41887.00	1.00	1.00	1.00	1.00	9824.00	9168.00	22817.00	22595.00	34953.00	35867.00	17580.00	15693.00	29269.00	30332.00	36845.00	39429.00	8867.00	9578.00	10757.00	13325.00	38182.00	37749.00	38449.00	42779.00	9742.00	11373.00	9711.00	11684.00	14746.00	17097.00	1.00	1.00	21138.00	21292.00	37093.00	37702.00	16438.00	15251.00	16503.00	17858.00	13919.00	14648.00	38604.00	37207.00	17981.00	18425.00	24949.00	20710.00	43917.00	42255.00	11789.00	11787.00
C6 H3 N5 O2 S	1.00	1.00	23039.00	20755.00	16740.00	14880.00	33992.00	30122.00	15540.00	12877.00	19444.00	17097.00	1.00	1.00	21990.00	22396.00	1.00	14756.00	28984.00	31526.00	42987.00	39671.00	30888.00	31461.00	14348.00	16796.00	15944.00	18034.00	24717.00	21257.00	19716.00	23568.00	23075.00	21144.00	16137.00	16485.00	35417.00	30153.00	23907.00	22587.00	1.00	1.00	1.00	1.00	20847.00	19664.00	31420.00	30576.00	21038.00	19923.00	23321.00	23574.00	17944.00	17996.00
C3 H6 N3 S Esi-1.2720002	124091.00	125563.00	113212.00	55514.00	128478.00	131450.00	124493.00	62635.00	55332.00	55719.00	146505.00	140074.00	112949.00	110734.00	74132.00	81482.00	147914.00	145811.00	119948.00	71188.00	139532.00	133571.00	90629.00	102286.00	92545.00	144832.00	142489.00	77853.00	76285.00	76525.00	75003.00	83367.00	133485.00	132980.00	125933.00	139031.00	118324.00	105727.00	68368.00	113923.00	123092.00	72844.00	120599.00	70455.00	83774.00	144430.00	154949.00	146473.00	142127.00	145022.00	86024.00	145989.00	134966.00	128417.00
C19 H34 N7 O Esi-13.123999	1.00	1.00	27833.00	17880.00	11971.00	33823.00	12179.00	36214.00	24488.00	31468.00	1.00	1.00	37953.00	18021.00	1.00	1.00	14602.00	10551.00	14159.00	28884.00	16655.00	16662.00	13639.00	14654.00	13052.00	10467.00	17753.00	31220.00	28816.00	31983.00	21367.00	17016.00	14686.00	16101.00	16496.00	12856.00	1.00	13008.00	11096.00	27315.00	27284.00	14927.00	34533.00	13372.00	1.00	1.00	1.00	9646.00	17979.00	16170.00	22477.00	18615.00	20990.00	25845.00
C10 H2 N4 O11 S Esi-13.447006	16984.00	34443.00	23123.00	23682.00	23097.00	20271.00	21549.00	34530.00	13605.00	24535.00	18101.00	23942.00	38893.00	15194.00	29173.00	50898.00	20199.00	26272.00	32359.00	26908.00	38533.00	25589.00	24894.00	14592.00	30470.00	42078.00	36326.00	21423.00	48013.00	42814.00	20324.00	32660.00	36021.00	27830.00	13866.00	23505.00	17630.00	18052.00	55136.00	33785.00	35128.00	24153.00	46434.00	21907.00	12164.00	20026.00	40913.00	15328.00	21456.00	22980.00	27198.00	20038.00	49616.00	24957.00
Perfluorooctanesulfonic acid	1.00	1.00	1.00	1.00	18526.00	16718.00	13969.00	18166.00	26220.00	25895.00	18337.00	18262.00	1.00	1.00	1.00	1.00	1.00	1.00	22979.00	18501.00	12600.00	10015.00	26578.00	27119.00	12022.00	10601.00	1.00	1.00	14877.00	13299.00	12115.00	12584.00	17485.00	16222.00	20604.00	21089.00	21695.00	20060.00	37112.00	35085.00	1.00	1.00	1.00	1.00	1.00	1.00	12102.00	13663.00	14908.00	14469.00	19814.00	18256.00	33140.00	26146.00
C7 H14 Cl3 N2	55331.00	56427.00	11896.00	12154.00	13370.00	12788.00	13743.00	14658.00	16450.00	16388.00	44743.00	44527.00	18482.00	18413.00	60611.00	56518.00	43112.00	48126.00	14301.00	16296.00	13141.00	11485.00	61079.00	63544.00	43605.00	46499.00	14163.00	21023.00	11473.00	10800.00	12135.00	10298.00	14809.00	14937.00	16677.00	15754.00	44922.00	44043.00	11399.00	11053.00	15246.00	15223.00	11140.00	11194.00	54183.00	53450.00	9771.00	9721.00	16057.00	13289.00	38638.00	41335.00	13717.00	15999.00
C7 H5 Cl3 O5 S5	29343.00	27287.00	17396.00	18021.00	17843.00	19305.00	19232.00	18959.00	18647.00	17456.00	24794.00	23170.00	18830.00	21266.00	25625.00	24909.00	24851.00	26485.00	17767.00	17186.00	19804.00	21899.00	29359.00	29483.00	25418.00	27948.00	19834.00	18563.00	18862.00	18574.00	18666.00	23955.00	20817.00	18997.00	22760.00	23201.00	23449.00	25906.00	19346.00	18735.00	21812.00	18751.00	21163.00	18422.00	28395.00	28259.00	19904.00	24634.00	24672.00	20587.00	27564.00	27449.00	19275.00	18865.00
C8 H2 N3 O5	12900.00	16377.00	12934.00	11740.00	11922.00	12332.00	12325.00	14345.00	14855.00	15263.00	19928.00	16022.00	14111.00	13943.00	17407.00	17488.00	12749.00	14724.00	15115.00	16621.00	12880.00	12642.00	20633.00	22812.00	15515.00	16020.00	14029.00	13801.00	14604.00	14075.00	12341.00	14821.00	13598.00	13471.00	14479.00	14415.00	17235.00	17719.00	16739.00	14777.00	16114.00	15883.00	12358.00	13193.00	16353.00	18752.00	15117.00	14876.00	12343.00	13993.00	17054.00	17643.00	13732.00	14525.00
C15 H2 N2 O15 S2	40208.00	40187.00	24173.00	26120.00	29031.00	25736.00	27900.00	30323.00	28694.00	27135.00	39153.00	36781.00	30205.00	29837.00	36461.00	37364.00	36206.00	36482.00	25987.00	27236.00	28713.00	28359.00	40572.00	39052.00	37987.00	39468.00	26347.00	26454.00	29392.00	26482.00	28247.00	26646.00	29907.00	27213.00	32274.00	31229.00	37968.00	37636.00	28724.00	27856.00	30913.00	29963.00	28594.00	27970.00	37295.00	35765.00	28750.00	29484.00	32378.00	30201.00	37889.00	38029.00	27365.00	28011.00
methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate Esi-13.44399	58940.00	51855.00	91777.00	51971.00	87787.00	87169.00	98041.00	172300.00	62478.00	82119.00	58574.00	64202.00	88327.00	84793.00	54235.00	59374.00	69918.00	68671.00	137193.00	103516.00	147241.00	60755.00	55355.00	72454.00	81846.00	63750.00	150352.00	98000.00	216757.00	193715.00	87165.00	119394.00	101893.00	65290.00	68241.00	98652.00	59596.00	58551.00	116790.00	108590.00	81129.00	60092.00	124818.00	77089.00	52166.00	50828.00	60232.00	54553.00	67931.00	60780.00	110411.00	67760.00	170546.00	97762.00
C14 H6 N2 O16 S2 Esi-14.119997	1.00	1.00	12635.00	10612.00	13949.00	13063.00	22991.00	73011.00	1.00	33504.00	1.00	1.00	22314.00	16577.00	1.00	13457.00	17896.00	1.00	37691.00	17481.00	125421.00	1.00	1.00	11873.00	14413.00	12057.00	64622.00	12369.00	111492.00	45506.00	1.00	32571.00	14103.00	1.00	14856.00	31367.00	1.00	1.00	28149.00	22169.00	18878.00	13907.00	21169.00	1.00	1.00	1.00	1.00	1.00	1.00	15981.00	18675.00	1.00	36704.00	20177.00
Primetin	1.00	1.00	1.00	1.00	1.00	1.00	24521.00	24215.00	28095.00	27364.00	1.00	1.00	1.00	1.00	15935.00	14610.00	1.00	1.00	33180.00	36603.00	1.00	10891.00	19272.00	19426.00	1.00	1.00	10592.00	12158.00	1.00	10244.00	10516.00	11849.00	30148.00	31538.00	1.00	1.00	14635.00	13660.00	11724.00	11439.00	1.00	1.00	1.00	1.00	10781.00	10753.00	34482.00	34657.00	11395.00	15014.00	18603.00	17993.00	10824.00	1.00
Rishitin	17057.00	27404.00	24631.00	22349.00	23000.00	29006.00	20638.00	25489.00	26956.00	33620.00	31251.00	30527.00	24867.00	23570.00	25021.00	24666.00	25203.00	24112.00	19713.00	31129.00	23560.00	34115.00	30659.00	20310.00	23521.00	19616.00	40087.00	28578.00	43199.00	38275.00	32477.00	31994.00	43828.00	37227.00	30653.00	34989.00	26192.00	24746.00	32957.00	36819.00	29362.00	36732.00	33941.00	38557.00	41020.00	35340.00	32838.00	29077.00	26569.00	25792.00	30577.00	24420.00	35146.00	38988.00
Tropolone	34437.00	33889.00	41201.00	40013.00	44781.00	40055.00	48342.00	38231.00	41137.00	41204.00	41588.00	36700.00	35834.00	41278.00	45416.00	34873.00	34592.00	31739.00	43016.00	47853.00	46532.00	34200.00	44415.00	45597.00	45644.00	44437.00	46454.00	43303.00	42982.00	39645.00	40480.00	39179.00	42183.00	43264.00	45836.00	43600.00	49892.00	49002.00	46693.00	41598.00	44138.00	45094.00	53201.00	41570.00	44362.00	39907.00	57126.00	43088.00	54853.00	53572.00	39606.00	50372.00	44436.00	46605.00
C23 H39 N10	34869.00	36895.00	38876.00	36207.00	36835.00	40648.00	34530.00	29254.00	41052.00	33514.00	33589.00	36687.00	31601.00	36391.00	35887.00	36018.00	43175.00	43449.00	39634.00	39699.00	41054.00	38192.00	34429.00	34261.00	35071.00	34176.00	31181.00	35225.00	45511.00	40058.00	37032.00	36109.00	43025.00	36379.00	34630.00	35165.00	37212.00	36289.00	39564.00	37250.00	39922.00	36040.00	36421.00	34531.00	36274.00	39867.00	35180.00	33364.00	35461.00	39177.00	32971.00	33803.00	37380.00	40774.00
?-hydroxyisobutyrate Esi-2.4639986	65698.00	67997.00	56835.00	45586.00	112679.00	104930.00	1.00	1.00	78436.00	1.00	81816.00	83759.00	35047.00	1.00	98798.00	81403.00	129041.00	107144.00	113948.00	111225.00	1.00	124197.00	122388.00	110289.00	110161.00	121485.00	138586.00	134377.00	115040.00	74501.00	1.00	1.00	97961.00	103826.00	90584.00	1.00	98679.00	84208.00	94784.00	111265.00	138776.00	124797.00	96941.00	123049.00	1.00	35354.00	142747.00	137301.00	120853.00	94744.00	126165.00	17447.00	15027.00	99974.00
C9 H6 O6 S5	36139.00	39045.00	25707.00	24384.00	23825.00	27220.00	27584.00	28265.00	26157.00	28639.00	35191.00	31141.00	27716.00	26990.00	34868.00	31218.00	31574.00	31686.00	24165.00	25398.00	24041.00	27801.00	31906.00	35552.00	34552.00	34229.00	25601.00	27617.00	24509.00	25710.00	27716.00	28191.00	26325.00	27245.00	32030.00	30546.00	33648.00	34097.00	27126.00	26870.00	28474.00	27897.00	25174.00	27322.00	35741.00	34677.00	27815.00	28400.00	28176.00	29244.00	36867.00	35867.00	29429.00	25514.00
C8 H Cl3 N5 S5	27001.00	30243.00	18150.00	17822.00	19207.00	20491.00	19922.00	20315.00	21981.00	20712.00	24573.00	25762.00	24416.00	19851.00	26767.00	26080.00	22613.00	24071.00	22559.00	23029.00	25274.00	22955.00	27681.00	29246.00	27229.00	25340.00	19395.00	21906.00	19301.00	19925.00	20507.00	21927.00	21182.00	21732.00	25781.00	22790.00	25828.00	28380.00	21297.00	23080.00	24387.00	24299.00	23588.00	22656.00	27475.00	27755.00	25599.00	23742.00	26054.00	26264.00	28269.00	28608.00	21094.00	21868.00
C10 H22 N5 O2 S2	21923.00	22126.00	20183.00	19915.00	19985.00	18952.00	23095.00	21798.00	21757.00	21013.00	15621.00	15280.00	16231.00	19289.00	1.00	12903.00	25449.00	23474.00	1.00	1.00	22997.00	21088.00	32374.00	32621.00	17694.00	15233.00	13683.00	15671.00	41652.00	43003.00	1.00	1.00	1.00	1.00	12738.00	15440.00	19470.00	17192.00	21880.00	23051.00	13391.00	15054.00	18467.00	16714.00	12943.00	11789.00	15680.00	15411.00	17281.00	15654.00	17613.00	17708.00	12940.00	13551.00
C6 H4 N O2 S3 Esi-13.247273	43912.00	89040.00	1.00	1.00	34632.00	66156.00	55335.00	1.00	1.00	1.00	75432.00	1.00	1.00	66987.00	1.00	1.00	131739.00	1.00	63869.00	89690.00	39740.00	34084.00	60793.00	62472.00	1.00	30897.00	46582.00	1.00	1.00	33401.00	23049.00	54879.00	50483.00	63766.00	1.00	60937.00	1.00	42524.00	39798.00	1.00	68849.00	62669.00	63063.00	40130.00	1.00	1.00	340900.00	1.00	56273.00	1.00	1.00	1.00	1.00	1.00
15-hydroxy stearic acid Esi-12.177001	15957.00	15200.00	14277.00	15923.00	16792.00	52926.00	17352.00	27616.00	18029.00	16208.00	15256.00	15990.00	17172.00	16079.00	16347.00	17315.00	20156.00	48598.00	83077.00	18012.00	18941.00	16976.00	15316.00	15789.00	15973.00	15476.00	18866.00	50844.00	38367.00	38866.00	16813.00	19629.00	18676.00	16391.00	17685.00	18175.00	14735.00	17206.00	15996.00	18097.00	17854.00	17103.00	16301.00	17875.00	16199.00	16468.00	14779.00	16609.00	16640.00	18062.00	14874.00	15219.00	25934.00	18023.00
2-O-Caffeoylglucarate Esi-10.107998	34290.00	34607.00	35287.00	38155.00	40592.00	40221.00	36550.00	35978.00	35688.00	35527.00	35741.00	34974.00	28455.00	29637.00	37824.00	38405.00	31268.00	31829.00	33702.00	31406.00	34970.00	34038.00	32574.00	34867.00	29985.00	33326.00	30160.00	30418.00	31101.00	33269.00	36806.00	34336.00	38400.00	35118.00	36528.00	39177.00	36553.00	36093.00	33032.00	33925.00	36370.00	37047.00	33288.00	35270.00	41490.00	38670.00	31179.00	28938.00	31762.00	33700.00	29285.00	29559.00	36804.00	36591.00
C11 H Cl N O2 S5	30404.00	28687.00	17854.00	16440.00	18213.00	20402.00	20223.00	16999.00	20988.00	18968.00	25913.00	29851.00	17362.00	19781.00	28990.00	30351.00	23428.00	25893.00	19486.00	21841.00	20887.00	21021.00	31909.00	28596.00	26048.00	29832.00	18532.00	19479.00	19283.00	17525.00	19900.00	21391.00	19026.00	19457.00	22283.00	22202.00	24462.00	28454.00	19894.00	20407.00	19710.00	20156.00	20526.00	18444.00	29538.00	31255.00	20433.00	20991.00	23466.00	21661.00	29210.00	28100.00	18175.00	21564.00
3beta-Acetoxy-4-oplopanone	18567.00	19258.00	28007.00	25038.00	25111.00	25180.00	29064.00	28816.00	26579.00	33195.00	24225.00	23872.00	32056.00	29294.00	22280.00	19698.00	26390.00	22574.00	37796.00	28415.00	34704.00	29288.00	22374.00	21959.00	28800.00	25274.00	40782.00	23652.00	36244.00	34156.00	30495.00	36916.00	34134.00	26289.00	24913.00	36296.00	19736.00	24796.00	39644.00	31391.00	31225.00	26030.00	31551.00	24431.00	18161.00	20118.00	22371.00	19063.00	23373.00	21063.00	29359.00	26159.00	41589.00	28494.00
C31 H65 Cl2 N14 O4 S	16677.00	17913.00	41239.00	35060.00	37104.00	33344.00	33938.00	40382.00	25134.00	27754.00	25656.00	22479.00	32536.00	32327.00	21917.00	26812.00	24338.00	20686.00	34573.00	31523.00	35332.00	35617.00	22054.00	22341.00	24429.00	20996.00	34925.00	34932.00	36947.00	35474.00	32209.00	36554.00	34605.00	33368.00	32903.00	30605.00	25352.00	23395.00	38308.00	37843.00	28816.00	36260.00	39522.00	37199.00	25559.00	22080.00	33073.00	36841.00	28797.00	28195.00	21592.00	25215.00	36137.00	37134.00
C22 H48 N8 O17	11102.00	10644.00	17715.00	18641.00	21426.00	18828.00	18965.00	17311.00	17955.00	17113.00	26831.00	23259.00	15378.00	15347.00	21424.00	20696.00	17582.00	18437.00	17721.00	19183.00	16409.00	16089.00	21003.00	22964.00	17092.00	16666.00	21995.00	22590.00	20476.00	19304.00	16236.00	18630.00	20263.00	22017.00	20235.00	20346.00	24010.00	22763.00	22495.00	20502.00	23799.00	24236.00	19592.00	19771.00	16660.00	19673.00	27748.00	27013.00	25928.00	25409.00	31313.00	31806.00	27664.00	27702.00
C49 H90 O4 S2	31023.00	27936.00	66999.00	67632.00	51187.00	70488.00	88245.00	68225.00	121335.00	104400.00	60850.00	56113.00	82458.00	59973.00	50734.00	34433.00	57174.00	48858.00	107081.00	116818.00	1.00	111093.00	49341.00	47977.00	63847.00	52675.00	83720.00	162516.00	17548.00	1.00	156914.00	45690.00	1.00	67840.00	46510.00	98750.00	32258.00	33354.00	129195.00	84350.00	97333.00	57381.00	135704.00	71587.00	48214.00	30519.00	27575.00	35376.00	56672.00	7813.00	100379.00	57626.00	216171.00	77485.00
C14 H3 Cl3 N2 O12 S5	48055.00	48258.00	17523.00	19964.00	18216.00	17895.00	20507.00	20224.00	24516.00	22561.00	41502.00	40216.00	26359.00	27623.00	42862.00	44254.00	34636.00	38143.00	22096.00	22839.00	22958.00	20925.00	48290.00	49469.00	46622.00	43768.00	23929.00	22209.00	19158.00	22651.00	24844.00	23999.00	22412.00	23120.00	25977.00	26154.00	41049.00	39279.00	23837.00	21304.00	22746.00	23903.00	24038.00	23221.00	47881.00	46849.00	26726.00	28509.00	26474.00	29798.00	46615.00	45653.00	22946.00	19612.00
C13 H10 Cl2 O S4	34478.00	38119.00	17104.00	18036.00	19533.00	19159.00	19069.00	19885.00	23872.00	24390.00	35118.00	33465.00	22134.00	21603.00	32333.00	35301.00	35504.00	31779.00	21296.00	21675.00	20966.00	20072.00	36870.00	37923.00	33208.00	33387.00	18191.00	20267.00	20058.00	21771.00	21363.00	22649.00	19897.00	19133.00	21349.00	23309.00	31809.00	31601.00	20354.00	22078.00	22668.00	21174.00	20701.00	21964.00	33462.00	33713.00	21985.00	22620.00	20036.00	23421.00	33715.00	32229.00	19904.00	21870.00
11S-hydroxy-hexadecanoic acid Esi-12.495992	13228.00	14034.00	22546.00	14351.00	24300.00	18298.00	21773.00	34921.00	19886.00	17786.00	12698.00	15478.00	24847.00	17146.00	12255.00	14407.00	12989.00	14692.00	32061.00	20091.00	26291.00	15746.00	12412.00	13664.00	14544.00	13513.00	30183.00	17122.00	32646.00	37205.00	16209.00	31937.00	24643.00	14849.00	10452.00	23065.00	12247.00	13116.00	25095.00	19346.00	15668.00	13838.00	18270.00	13108.00	9572.00	10907.00	12113.00	10322.00	13018.00	11222.00	17416.00	13818.00	35404.00	16898.00
C33 H51 N14 O3	1.00	1.00	55598.00	38199.00	45331.00	28544.00	46099.00	53923.00	32117.00	15243.00	1.00	1.00	46785.00	22809.00	1.00	1.00	1.00	14712.00	53646.00	29767.00	89311.00	1.00	1.00	1.00	1.00	1.00	39190.00	41798.00	67088.00	95040.00	34369.00	82117.00	20985.00	1.00	18827.00	38713.00	1.00	1.00	22884.00	16948.00	37012.00	1.00	43220.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	36907.00	17143.00
Ser His Gly Esi-0.88700014	260097.00	268152.00	320737.00	319558.00	346021.00	347914.00	18456.00	17593.00	11325.00	10442.00	358225.00	402165.00	15548.00	15195.00	257317.00	259548.00	304508.00	319436.00	14612.00	304634.00	316831.00	19609.00	219839.00	217061.00	320353.00	300110.00	423969.00	27976.00	27238.00	26879.00	13287.00	11964.00	451285.00	461247.00	270579.00	10184.00	298225.00	311005.00	14126.00	15778.00	15127.00	18103.00	12817.00	15011.00	277234.00	284084.00	15201.00	14412.00	13283.00	12833.00	247255.00	252278.00	20186.00	18603.00
C31 H49 O11 Esi-8.110995	50967.00	24616.00	1.00	1.00	32733.00	34354.00	16715.00	15010.00	1.00	1.00	47332.00	48902.00	17388.00	37918.00	85334.00	85129.00	39581.00	19586.00	36964.00	20407.00	41503.00	38361.00	26514.00	56244.00	62098.00	63491.00	15173.00	30155.00	34469.00	17746.00	36030.00	32775.00	35577.00	33874.00	40562.00	43138.00	69844.00	72375.00	18814.00	36209.00	15942.00	33015.00	32441.00	36225.00	38708.00	39602.00	30581.00	27191.00	48565.00	26377.00	49540.00	45377.00	23087.00	44911.00
C22 H44 O6 Esi-13.622991 :1	42257.00	47480.00	73822.00	36245.00	114018.00	63905.00	93250.00	464947.00	52735.00	73083.00	44145.00	15918.00	94749.00	29944.00	30633.00	29791.00	28192.00	21925.00	118474.00	60604.00	173464.00	35055.00	18525.00	21487.00	30921.00	28238.00	174008.00	66554.00	344416.00	386247.00	51896.00	137601.00	117009.00	29945.00	26375.00	89767.00	48477.00	19247.00	103607.00	63170.00	62720.00	23270.00	82615.00	24860.00	37107.00	33076.00	10542.00	11444.00	32667.00	16716.00	54196.00	29416.00	224074.00	52503.00
C3 H4 N2 O5 S Esi-0.96200025	104550.00	175034.00	805607.00	696493.00	746379.00	694565.00	21039.00	1.00	84860.00	1.00	71209.00	80221.00	79827.00	51318.00	142214.00	93690.00	98186.00	99132.00	1.00	1.00	1.00	1.00	125310.00	100697.00	138558.00	123626.00	1.00	1.00	15921.00	21393.00	1.00	95319.00	1.00	1.00	1.00	81934.00	106907.00	82852.00	92182.00	1.00	88974.00	1.00	1.00	73431.00	92994.00	1.00	1.00	1.00	1.00	1.00	95755.00	122254.00	1.00	1.00
C21 H38 N7 O3	52301.00	52088.00	115440.00	79860.00	76936.00	54564.00	88806.00	207630.00	51239.00	75855.00	60055.00	54638.00	132669.00	116543.00	85217.00	83858.00	96667.00	92266.00	116920.00	72478.00	163519.00	113596.00	51179.00	53717.00	80934.00	12337.00	123839.00	59982.00	174375.00	195729.00	112007.00	128688.00	117417.00	67442.00	87055.00	77474.00	52307.00	62673.00	95138.00	92592.00	63926.00	51272.00	99482.00	85011.00	74876.00	52298.00	47533.00	40139.00	61257.00	66657.00	87045.00	77051.00	157768.00	77236.00
C29 H51 N5 O13	1.00	1.00	15784.00	12289.00	18016.00	15040.00	11973.00	38295.00	1.00	11347.00	1.00	1.00	17284.00	10567.00	1.00	1.00	10586.00	9764.00	16178.00	1.00	20033.00	1.00	1.00	1.00	1.00	1.00	21749.00	9865.00	34436.00	37614.00	14670.00	29991.00	15567.00	1.00	1.00	16719.00	1.00	1.00	14533.00	9750.00	1.00	1.00	11900.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10737.00	1.00	28809.00	10031.00
2,3-dinor Thromboxane B1	13748.00	16911.00	1.00	1.00	1.00	1.00	1.00	1.00	11563.00	10488.00	14030.00	13486.00	1.00	1.00	19683.00	18279.00	17968.00	17688.00	11912.00	11174.00	19937.00	17798.00	17932.00	17439.00	33317.00	34329.00	19367.00	19677.00	19011.00	22094.00	20064.00	17546.00	1.00	1.00	1.00	1.00	15651.00	13127.00	33519.00	34285.00	33354.00	31853.00	36039.00	33043.00	1.00	10239.00	1.00	1.00	1.00	1.00	13296.00	12134.00	22882.00	22761.00
C5 H2 N2 O6	38850.00	41990.00	37057.00	38536.00	34180.00	34604.00	37114.00	35996.00	42275.00	37323.00	36676.00	34083.00	37343.00	39827.00	39221.00	38971.00	38444.00	42441.00	40989.00	41648.00	38680.00	40580.00	40411.00	37986.00	35692.00	38742.00	39394.00	38242.00	39508.00	38025.00	36968.00	37370.00	38747.00	37373.00	38524.00	40835.00	40654.00	44992.00	39263.00	42789.00	43619.00	41861.00	43916.00	37959.00	41525.00	39443.00	39675.00	37590.00	39774.00	35916.00	41528.00	39069.00	38681.00	39213.00
C6 H18 N7 O S	29924.00	30684.00	33298.00	30292.00	35507.00	34470.00	31592.00	32859.00	32661.00	33387.00	36213.00	32566.00	32489.00	31024.00	33985.00	31917.00	30947.00	29124.00	30626.00	30628.00	31573.00	31550.00	32480.00	31909.00	27998.00	31013.00	31242.00	32194.00	31916.00	33793.00	30731.00	33018.00	33035.00	33115.00	33608.00	33377.00	35223.00	29640.00	27653.00	33734.00	30677.00	33637.00	28527.00	34613.00	29599.00	32890.00	30199.00	35838.00	32920.00	31581.00	35256.00	33111.00	33162.00	34531.00
C7 H2 O S2	37846.00	56331.00	38002.00	37938.00	33601.00	48809.00	46188.00	49182.00	40202.00	51323.00	42106.00	39207.00	38223.00	44291.00	49258.00	50293.00	53962.00	58076.00	33550.00	37175.00	36809.00	47413.00	60285.00	49975.00	44347.00	42344.00	42003.00	39970.00	46367.00	39701.00	33574.00	35887.00	33264.00	45085.00	34713.00	34046.00	41132.00	51758.00	28537.00	36023.00	38498.00	41799.00	45137.00	39690.00	56085.00	49107.00	43137.00	43366.00	40638.00	39986.00	57362.00	44706.00	34834.00	33225.00
C22 H6 N O26	33082.00	30840.00	25735.00	29476.00	21362.00	26744.00	24265.00	41109.00	23426.00	25742.00	20160.00	25067.00	22357.00	30148.00	36725.00	29395.00	24409.00	1.00	18859.00	26224.00	19759.00	32354.00	24288.00	35673.00	29108.00	39862.00	52168.00	26485.00	38636.00	32881.00	20234.00	17281.00	21767.00	18747.00	19739.00	16442.00	18212.00	13310.00	25228.00	1.00	16518.00	1.00	1.00	15503.00	1.00	18546.00	1.00	16073.00	17154.00	13987.00	1.00	1.00	16315.00	14005.00
C4 H2 N2 O6 S	54971.00	55424.00	30659.00	31777.00	31192.00	32476.00	39822.00	41751.00	39747.00	39877.00	51876.00	51025.00	42647.00	42883.00	51486.00	53471.00	50280.00	49233.00	38676.00	40900.00	42232.00	43180.00	59623.00	59652.00	54437.00	53004.00	36048.00	36784.00	37393.00	39457.00	47255.00	48322.00	37339.00	40737.00	45278.00	49075.00	53186.00	52106.00	42323.00	45259.00	45912.00	48241.00	45538.00	43201.00	53689.00	55556.00	43880.00	46794.00	47172.00	48656.00	51666.00	57819.00	47415.00	42462.00
C4 H5 N4 O5	42362.00	31744.00	1.00	1.00	27593.00	50740.00	1.00	1.00	56762.00	58165.00	41388.00	44663.00	1.00	1.00	1.00	21685.00	53588.00	96191.00	26228.00	43564.00	60354.00	63676.00	53129.00	47212.00	56618.00	38412.00	67251.00	65759.00	67773.00	36829.00	86682.00	87502.00	1.00	1.00	1.00	1.00	59447.00	73787.00	78133.00	81021.00	50755.00	58377.00	87075.00	94485.00	52520.00	45778.00	74600.00	53567.00	48411.00	54286.00	98402.00	108504.00	108424.00	103522.00
C23 H16 N15 O9	21399.00	20919.00	18004.00	17526.00	24397.00	22646.00	15435.00	12511.00	18450.00	16699.00	26603.00	28694.00	16093.00	18713.00	23908.00	24209.00	20385.00	19936.00	20172.00	18218.00	15487.00	16224.00	16543.00	17886.00	32711.00	33356.00	31945.00	31454.00	22259.00	20668.00	21959.00	21344.00	24998.00	24685.00	22916.00	23515.00	21703.00	20012.00	21433.00	24521.00	18491.00	18825.00	22509.00	22093.00	21394.00	20296.00	21466.00	21234.00	19878.00	19516.00	21995.00	21728.00	19685.00	21574.00
C11 H19 N3 O S	41864.00	66202.00	39907.00	73877.00	46965.00	78505.00	50422.00	79086.00	93254.00	87049.00	41833.00	79294.00	40837.00	43731.00	65400.00	34825.00	65822.00	42071.00	68139.00	51137.00	44520.00	39191.00	29153.00	54267.00	57682.00	39639.00	47819.00	68772.00	56762.00	72993.00	19792.00	37305.00	60549.00	31069.00	77520.00	40104.00	57530.00	70529.00	32910.00	45595.00	41903.00	60247.00	38423.00	70814.00	51678.00	44942.00	37097.00	19883.00	32595.00	33525.00	61428.00	42711.00	49169.00	52760.00
C18 H Cl3 N O11 S5	38522.00	39375.00	19257.00	18742.00	19716.00	20397.00	22706.00	22785.00	23993.00	23368.00	33235.00	31994.00	22879.00	25834.00	34247.00	32866.00	32821.00	39719.00	20555.00	20806.00	22833.00	22738.00	38379.00	38850.00	34788.00	37737.00	20193.00	22798.00	18812.00	20900.00	24039.00	24166.00	24464.00	18732.00	27499.00	24179.00	32210.00	32552.00	21539.00	22133.00	23764.00	24260.00	24208.00	23597.00	33389.00	30990.00	24610.00	25210.00	25881.00	26735.00	34642.00	33321.00	21194.00	22449.00
C24 H30 N24	13056.00	10695.00	1.00	1.00	12933.00	11888.00	11842.00	20626.00	9947.00	11549.00	18222.00	17556.00	10085.00	1.00	22011.00	21214.00	1.00	1.00	30084.00	22473.00	13563.00	1.00	11196.00	11405.00	15570.00	15845.00	33295.00	17283.00	35344.00	38204.00	13546.00	15751.00	22987.00	16187.00	10503.00	10411.00	1.00	1.00	10567.00	1.00	10667.00	1.00	12969.00	1.00	15161.00	13784.00	10949.00	1.00	15140.00	14763.00	12442.00	12310.00	30852.00	15959.00
C6 H11 N5 O6	26431.00	31889.00	11818.00	12159.00	16092.00	16155.00	24960.00	24344.00	32538.00	34286.00	28342.00	25957.00	20746.00	18513.00	18219.00	16555.00	34870.00	34054.00	23314.00	25493.00	33332.00	30725.00	25636.00	29014.00	42472.00	40118.00	31216.00	27835.00	26696.00	25884.00	31806.00	29286.00	24613.00	24806.00	36856.00	34500.00	33611.00	32145.00	35000.00	32524.00	30949.00	27247.00	27265.00	24734.00	33148.00	33239.00	38121.00	34598.00	35950.00	36048.00	36910.00	39475.00	29273.00	31568.00
Orthoform	10738.00	13199.00	11930.00	13627.00	17998.00	16595.00	18839.00	19054.00	19058.00	18459.00	25508.00	23015.00	14623.00	14365.00	13509.00	13773.00	23106.00	21231.00	13563.00	14075.00	27062.00	28174.00	10801.00	11189.00	16540.00	18214.00	21043.00	17960.00	28125.00	28576.00	19911.00	21723.00	25415.00	23845.00	26732.00	27207.00	35411.00	36894.00	37350.00	36407.00	24790.00	28147.00	11485.00	12521.00	25402.00	25946.00	15242.00	15992.00	12328.00	12981.00	21568.00	24621.00	26477.00	26953.00
HI	40324.00	43326.00	46139.00	42621.00	38826.00	37027.00	44125.00	44827.00	30338.00	32195.00	34827.00	33971.00	33170.00	33143.00	38157.00	34981.00	31727.00	30067.00	35545.00	37298.00	33278.00	38029.00	27516.00	6774.00	30145.00	27519.00	36322.00	36173.00	37713.00	37585.00	30933.00	33329.00	44560.00	44253.00	27123.00	25632.00	22219.00	32052.00	30356.00	32031.00	35048.00	34267.00	38708.00	33941.00	26956.00	26680.00	36587.00	15294.00	36294.00	30794.00	30897.00	27043.00	32138.00	22700.00
C35 H61 N13 O	15242.00	14689.00	32755.00	34016.00	33492.00	28571.00	31398.00	34281.00	25150.00	21490.00	20250.00	21387.00	27654.00	27630.00	20022.00	19100.00	17456.00	19667.00	30625.00	30495.00	29181.00	28123.00	18903.00	17602.00	18368.00	20906.00	31412.00	30695.00	30883.00	30656.00	32507.00	33948.00	26721.00	29363.00	26120.00	28984.00	20418.00	21445.00	30721.00	29876.00	30488.00	28544.00	31877.00	29947.00	22035.00	20153.00	26372.00	27902.00	26220.00	28185.00	20939.00	20097.00	31460.00	33087.00
5-Methylcytidine	32865.00	31043.00	33393.00	34624.00	32995.00	31796.00	33469.00	34575.00	29362.00	28348.00	30284.00	30142.00	35258.00	35384.00	32776.00	29689.00	31677.00	34541.00	29480.00	29431.00	33349.00	32063.00	26231.00	27094.00	31794.00	30327.00	31206.00	30222.00	29571.00	30149.00	35958.00	36061.00	32965.00	30833.00	35836.00	33701.00	26681.00	27207.00	31952.00	31576.00	34685.00	31554.00	31839.00	33944.00	29023.00	32758.00	33891.00	30584.00	31305.00	28384.00	29036.00	26457.00	28403.00	27868.00
Pyruvic acid Esi-0.8950004	32750.00	29413.00	35937.00	36897.00	41579.00	37940.00	36843.00	39948.00	38912.00	33513.00	30597.00	29334.00	31691.00	31870.00	26486.00	27567.00	22312.00	30131.00	34352.00	30892.00	34858.00	34309.00	29067.00	29418.00	35996.00	33906.00	37538.00	40340.00	35996.00	34384.00	35648.00	35087.00	37795.00	35980.00	34572.00	35026.00	30600.00	33773.00	35224.00	34976.00	29683.00	31656.00	28462.00	30042.00	29013.00	30981.00	37014.00	37363.00	40463.00	36060.00	35351.00	36741.00	36955.00	36143.00
4-ethyl-hexanoic acid	13853.00	12967.00	25158.00	23352.00	17874.00	17934.00	16836.00	17717.00	15417.00	15389.00	12665.00	12371.00	21479.00	22811.00	21367.00	20111.00	32827.00	32395.00	12511.00	14378.00	24777.00	22037.00	15070.00	16413.00	37960.00	34816.00	21593.00	21906.00	18277.00	20572.00	33705.00	36678.00	17368.00	15745.00	19575.00	19995.00	15627.00	14413.00	22886.00	19572.00	21183.00	23332.00	21971.00	23208.00	18044.00	18194.00	17304.00	17012.00	16641.00	15075.00	26161.00	24394.00	24534.00	23504.00
C9 H20 O S3 Esi-12.590007	9357.00	9362.00	16927.00	11087.00	14042.00	14353.00	14368.00	25911.00	13184.00	15593.00	10652.00	10185.00	18151.00	10869.00	9267.00	10380.00	16235.00	10944.00	18374.00	13949.00	14093.00	11832.00	9956.00	13157.00	11385.00	11279.00	19658.00	13640.00	28390.00	27300.00	14706.00	22077.00	18511.00	13361.00	12793.00	17150.00	12603.00	12926.00	15040.00	13613.00	12505.00	11627.00	15999.00	12942.00	10628.00	12416.00	11605.00	9484.00	11139.00	12707.00	16504.00	14864.00	29746.00	12287.00
C13 H6 Cl2 O6 S5	33989.00	33942.00	18919.00	20198.00	20982.00	22011.00	21672.00	24794.00	22546.00	25463.00	32108.00	30900.00	25409.00	23481.00	33548.00	31704.00	29564.00	33471.00	21261.00	25629.00	22067.00	25488.00	32308.00	37840.00	32254.00	29864.00	22272.00	22678.00	22647.00	21620.00	24908.00	21950.00	21497.00	21285.00	27861.00	26092.00	32828.00	30654.00	23629.00	23861.00	22628.00	26293.00	26537.00	23607.00	33720.00	31926.00	23554.00	26142.00	25439.00	25373.00	32456.00	30909.00	25424.00	23820.00
Chlorphenesin	15558.00	16849.00	22525.00	23795.00	31997.00	31086.00	28367.00	29438.00	21119.00	22669.00	23060.00	18407.00	24494.00	21434.00	18650.00	17865.00	20500.00	18734.00	28052.00	28077.00	32834.00	30960.00	18881.00	18272.00	21581.00	21169.00	31417.00	30763.00	27360.00	27431.00	27857.00	27785.00	35101.00	34685.00	32574.00	35707.00	18853.00	19901.00	36555.00	36825.00	22648.00	21778.00	31756.00	29186.00	20770.00	19707.00	39929.00	39032.00	30275.00	31746.00	29966.00	29560.00	29838.00	28269.00
C4 H4 N O4 S	38468.00	34696.00	12220.00	13204.00	16522.00	16201.00	15991.00	14616.00	22508.00	21766.00	31179.00	30557.00	22353.00	21847.00	33695.00	35327.00	31189.00	30494.00	18832.00	20105.00	20258.00	20345.00	34813.00	34327.00	33386.00	35957.00	18317.00	15438.00	13877.00	12702.00	19827.00	19830.00	12647.00	16589.00	24551.00	23695.00	30391.00	29310.00	17886.00	17246.00	23743.00	21483.00	16922.00	20290.00	32157.00	30473.00	21324.00	23729.00	21327.00	22474.00	34685.00	35724.00	20218.00	18199.00
C3 H7 N5 S	17951.00	18260.00	60248.00	62023.00	68585.00	62850.00	63149.00	57441.00	14527.00	14122.00	22487.00	22231.00	22122.00	23694.00	33106.00	37237.00	30612.00	25594.00	10581.00	10423.00	73811.00	71831.00	25816.00	28195.00	17267.00	17895.00	15275.00	84896.00	12441.00	13935.00	16672.00	14140.00	55324.00	54453.00	13496.00	13488.00	13400.00	15813.00	14877.00	14944.00	19356.00	16844.00	18995.00	15888.00	16624.00	15239.00	13970.00	73339.00	14863.00	14144.00	21348.00	24249.00	71117.00	14591.00
C12 H2 O9 S	33192.00	35648.00	30597.00	28744.00	29635.00	29578.00	31288.00	32389.00	30757.00	30124.00	36060.00	36046.00	33866.00	33463.00	34801.00	36638.00	33520.00	33494.00	29364.00	31974.00	29137.00	30528.00	35271.00	35615.00	36522.00	36290.00	29321.00	30786.00	30678.00	29802.00	31527.00	32336.00	32563.00	30898.00	34346.00	32156.00	33929.00	35405.00	28710.00	31673.00	32863.00	33676.00	30481.00	31730.00	31572.00	38742.00	31091.00	30640.00	31763.00	30933.00	36555.00	34271.00	29897.00	32299.00
C37 H34 N	23837.00	27643.00	15798.00	17267.00	16295.00	18482.00	20411.00	20644.00	20312.00	19854.00	23883.00	22616.00	20404.00	20892.00	28196.00	27377.00	24100.00	24346.00	17937.00	21830.00	20706.00	18593.00	23919.00	26896.00	24258.00	24247.00	17118.00	18688.00	16175.00	18354.00	18330.00	18758.00	20188.00	19868.00	21314.00	21264.00	26400.00	22602.00	22001.00	23129.00	21194.00	20091.00	18424.00	20834.00	27172.00	24889.00	22758.00	21240.00	23377.00	20826.00	26042.00	28457.00	19413.00	19691.00
Xanthoangelol G	49081.00	40297.00	47249.00	46672.00	46809.00	46452.00	35685.00	22530.00	48394.00	43286.00	45168.00	48043.00	42721.00	46929.00	47355.00	40475.00	48345.00	50396.00	42137.00	43431.00	38978.00	47412.00	39039.00	45125.00	45911.00	48618.00	36814.00	43527.00	30422.00	28781.00	41854.00	37981.00	37727.00	45215.00	46857.00	45315.00	45929.00	51042.00	43845.00	46729.00	48861.00	44568.00	42520.00	46190.00	42619.00	43337.00	49708.00	45386.00	47060.00	47463.00	48649.00	39746.00	33483.00	46850.00
C9 H Cl3 O3 S5	22757.00	23595.00	23005.00	23379.00	21068.00	19643.00	17998.00	22800.00	22635.00	20658.00	23614.00	25972.00	20878.00	21503.00	25007.00	25617.00	23578.00	23577.00	21688.00	23129.00	22162.00	22305.00	26273.00	24588.00	25222.00	25847.00	21995.00	22946.00	23452.00	20853.00	24623.00	23541.00	20531.00	23871.00	19758.00	22601.00	26983.00	25182.00	21548.00	21026.00	22688.00	24207.00	20847.00	23584.00	28483.00	25736.00	23710.00	22392.00	23484.00	20962.00	24784.00	26481.00	21734.00	21656.00
Furfural	21458.00	20202.00	31566.00	32380.00	29299.00	29035.00	31403.00	32498.00	30227.00	28327.00	23890.00	23690.00	24914.00	27102.00	18017.00	16808.00	26786.00	25969.00	32155.00	31956.00	37642.00	39304.00	20689.00	22868.00	27571.00	28066.00	33537.00	32395.00	31475.00	34037.00	28550.00	29359.00	34170.00	30539.00	33302.00	33110.00	26223.00	26108.00	33506.00	31818.00	29119.00	28140.00	29008.00	32159.00	23543.00	19875.00	31044.00	37783.00	31613.00	32045.00	29088.00	29865.00	34797.00	35556.00
C18 H45 N12 O12	21895.00	20337.00	20420.00	17732.00	1.00	1.00	23174.00	20797.00	24513.00	25629.00	32512.00	29413.00	1.00	18913.00	36222.00	38348.00	39634.00	40733.00	18684.00	18173.00	31329.00	31865.00	34605.00	35596.00	51718.00	48629.00	30798.00	31019.00	38472.00	38329.00	34361.00	36189.00	21183.00	18943.00	24020.00	24580.00	27352.00	28326.00	25396.00	22732.00	30828.00	30350.00	32894.00	31927.00	27510.00	25791.00	26146.00	28237.00	19546.00	19136.00	32674.00	31401.00	26661.00	26535.00
C3 H3 Cl3 N2 O	34483.00	32927.00	45065.00	43395.00	43422.00	48454.00	51961.00	50659.00	51443.00	27716.00	29756.00	34677.00	46835.00	53049.00	36618.00	29327.00	31807.00	39628.00	42695.00	41793.00	47514.00	47699.00	18560.00	37917.00	25642.00	84083.00	47610.00	47595.00	51091.00	51310.00	41008.00	46738.00	51785.00	47172.00	55079.00	31845.00	27906.00	79166.00	40525.00	40233.00	49115.00	35217.00	33238.00	49906.00	29660.00	32130.00	59401.00	55754.00	51766.00	52544.00	34357.00	32854.00	42323.00	41634.00
C3 H2 N3 O3 Esi-2.9709983	42662.00	36284.00	53175.00	52478.00	58732.00	37647.00	33343.00	33765.00	35931.00	39752.00	34863.00	39442.00	42713.00	33031.00	33450.00	40690.00	40143.00	29999.00	34220.00	47366.00	39153.00	27534.00	36633.00	61062.00	41268.00	58693.00	42923.00	52038.00	39887.00	62576.00	41482.00	29646.00	47933.00	45249.00	46752.00	34728.00	26086.00	36723.00	48698.00	59316.00	31666.00	47894.00	46381.00	36623.00	40658.00	34438.00	50690.00	41774.00	33526.00	80007.00	37348.00	40915.00	45506.00	36280.00
C47 H80 N4 S2 Esi-14.122993	159943.00	1.00	1.00	70471.00	17944.00	12149.00	30169.00	9002.00	1.00	20399.00	1.00	196752.00	1.00	1.00	29274.00	32324.00	1.00	32427.00	11105.00	9931.00	1.00	40364.00	40354.00	1.00	34812.00	32625.00	207077.00	1.00	234350.00	228504.00	253289.00	59981.00	178701.00	50144.00	84206.00	27414.00	1.00	1.00	65211.00	11671.00	1.00	115831.00	1.00	202249.00	58504.00	1.00	1.00	1.00	1.00	1.00	75231.00	38439.00	83708.00	92032.00
C6 H4 N O2 S3 Esi-3.5029988	1.00	128798.00	1.00	1.00	74340.00	64410.00	152398.00	65827.00	124667.00	145135.00	156086.00	163413.00	121856.00	129914.00	163369.00	150913.00	147713.00	142145.00	1.00	74120.00	1.00	1.00	1.00	1.00	138929.00	71258.00	1.00	172850.00	155390.00	72307.00	1.00	1.00	1.00	1.00	1.00	74498.00	21166.00	66344.00	88809.00	162877.00	75212.00	1.00	1.00	1.00	1.00	77325.00	140939.00	149282.00	64357.00	1.00	1.00	84151.00	1.00	1.00
C36 H51 N17 O3	1.00	1.00	21174.00	20402.00	30034.00	23731.00	20827.00	41977.00	1.00	17099.00	1.00	1.00	24478.00	18548.00	1.00	1.00	15970.00	1.00	36300.00	24328.00	39253.00	15556.00	1.00	1.00	1.00	1.00	29292.00	15420.00	36257.00	42499.00	19231.00	29211.00	29611.00	15560.00	15731.00	26488.00	1.00	1.00	20257.00	1.00	1.00	1.00	17903.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	36234.00	15362.00
C14 H2 N4 O6 S2	1.00	1.00	1.00	1.00	59881.00	1.00	1.00	20122.00	27371.00	47604.00	1.00	1.00	1.00	1.00	60897.00	19540.00	1.00	1.00	30081.00	32108.00	40119.00	21342.00	66159.00	20417.00	1.00	52245.00	19698.00	1.00	22486.00	1.00	1.00	1.00	27435.00	31999.00	1.00	1.00	25985.00	31898.00	27660.00	45797.00	1.00	1.00	1.00	1.00	1.00	1.00	38654.00	36081.00	28073.00	20459.00	21550.00	25874.00	1.00	1.00
C34 H73 N4 O5	17166.00	16535.00	36683.00	37175.00	36399.00	37061.00	39664.00	39313.00	27215.00	28154.00	24209.00	23491.00	35662.00	34293.00	24523.00	27016.00	26489.00	27801.00	31620.00	35942.00	37598.00	36019.00	24712.00	22997.00	24417.00	23467.00	35425.00	39182.00	36350.00	36944.00	36325.00	40085.00	35346.00	35816.00	36840.00	30623.00	27343.00	24682.00	36964.00	39170.00	36762.00	35931.00	37231.00	37687.00	22016.00	24913.00	32250.00	31814.00	30621.00	30959.00	26121.00	28957.00	37954.00	37383.00
C9 H4 N O10 S Esi-13.447006 :1	24802.00	18268.00	25039.00	21711.00	19967.00	18241.00	33816.00	20717.00	15987.00	24795.00	15719.00	17515.00	25918.00	15800.00	19449.00	23842.00	19476.00	15641.00	38061.00	23972.00	42658.00	16981.00	16880.00	17876.00	23200.00	12499.00	48544.00	21237.00	55229.00	55104.00	19030.00	37623.00	15215.00	16272.00	13109.00	27086.00	19370.00	19608.00	68294.00	35756.00	46180.00	33083.00	53928.00	26677.00	14257.00	16594.00	12743.00	18792.00	31689.00	18757.00	16049.00	19630.00	62659.00	22312.00
C16 H32 N3 O17	53754.00	57337.00	1.00	1.00	1.00	1.00	1.00	1.00	28443.00	31104.00	39120.00	38620.00	1.00	1.00	60317.00	58972.00	53452.00	52167.00	33180.00	27993.00	48667.00	38317.00	56488.00	57542.00	70605.00	72321.00	48901.00	45480.00	63761.00	61440.00	47202.00	50697.00	1.00	1.00	18657.00	1.00	54234.00	51630.00	89376.00	85167.00	77700.00	73577.00	87460.00	80652.00	31298.00	32542.00	1.00	1.00	23444.00	20648.00	42528.00	40403.00	69574.00	55053.00
Aricine	27055.00	26583.00	22083.00	22314.00	16961.00	17597.00	13884.00	14418.00	33045.00	31950.00	11261.00	13072.00	10583.00	11470.00	25927.00	25450.00	27635.00	25494.00	12542.00	12452.00	28683.00	28675.00	13879.00	13962.00	31368.00	27086.00	28205.00	28393.00	15076.00	13612.00	27721.00	26844.00	16434.00	16563.00	21044.00	22121.00	32430.00	28898.00	20029.00	18884.00	19638.00	19183.00	19913.00	18739.00	20157.00	21218.00	24679.00	27191.00	31312.00	30894.00	23837.00	22847.00	19415.00	18558.00
4-ethyl-hexanoic acid Esi-6.0700045	13771.00	11678.00	24067.00	26388.00	16562.00	17146.00	15244.00	17194.00	14750.00	16117.00	12198.00	10558.00	23330.00	24735.00	21806.00	21230.00	31760.00	29542.00	15174.00	11690.00	23627.00	23448.00	13745.00	14768.00	33022.00	32777.00	21158.00	20793.00	17786.00	21506.00	34702.00	36143.00	14892.00	19002.00	21825.00	21882.00	14729.00	14854.00	22669.00	21307.00	20031.00	22965.00	19912.00	21097.00	19545.00	21173.00	16647.00	16707.00	15456.00	15941.00	24233.00	25762.00	18352.00	22788.00
N-heptanoyl-homoserine lactone	13346.00	12954.00	20069.00	19609.00	34658.00	33625.00	24687.00	24012.00	13932.00	15019.00	14124.00	15427.00	23352.00	27480.00	20206.00	18333.00	13621.00	14150.00	27600.00	29961.00	16333.00	17466.00	14128.00	13957.00	17422.00	15793.00	17287.00	14456.00	17044.00	16857.00	24658.00	25758.00	24149.00	22808.00	26785.00	25588.00	14978.00	14892.00	22116.00	18954.00	12549.00	13405.00	15026.00	14726.00	23532.00	23210.00	18058.00	17371.00	26763.00	26558.00	19947.00	19893.00	21949.00	22404.00
C6 H N3 O3	28705.00	29483.00	28701.00	29695.00	28814.00	30103.00	25226.00	29255.00	32643.00	34909.00	37814.00	37224.00	28057.00	29514.00	24844.00	25832.00	34383.00	35606.00	27522.00	30577.00	30166.00	26612.00	31628.00	29132.00	31867.00	32363.00	30595.00	30557.00	37571.00	36983.00	32012.00	32201.00	32839.00	32829.00	29551.00	30501.00	30669.00	31540.00	35979.00	36362.00	30797.00	27700.00	27353.00	29630.00	29174.00	29829.00	27272.00	29689.00	26354.00	28016.00	31726.00	31590.00	28529.00	30353.00
Pyruvic acid Esi-1.0040007	55099.00	51867.00	37531.00	39077.00	71683.00	72848.00	54627.00	63467.00	39243.00	25594.00	49815.00	51954.00	29350.00	70803.00	32710.00	31935.00	42112.00	45388.00	39136.00	41958.00	48874.00	45993.00	55817.00	50907.00	41375.00	40603.00	31916.00	29669.00	24915.00	23554.00	73940.00	71926.00	53935.00	52659.00	55862.00	54964.00	45939.00	43231.00	67304.00	19086.00	23040.00	64637.00	23022.00	21826.00	53700.00	52033.00	63902.00	65302.00	67435.00	65112.00	47455.00	46784.00	29405.00	29161.00
C47 H83	27801.00	29173.00	26564.00	25913.00	33054.00	27958.00	29284.00	29595.00	26209.00	26586.00	29405.00	31194.00	30398.00	29475.00	29323.00	31343.00	34725.00	32098.00	27763.00	30574.00	32149.00	29250.00	33656.00	30015.00	31265.00	33588.00	29187.00	30037.00	30004.00	29368.00	29200.00	27807.00	31029.00	28701.00	31643.00	32336.00	28956.00	29926.00	29597.00	29062.00	30921.00	33444.00	31252.00	31071.00	30146.00	31393.00	30382.00	29233.00	30680.00	28406.00	33166.00	31400.00	27487.00	31152.00
4-hydroxy-2-oxo-Heptanedioic acid	19660.00	20842.00	21932.00	23221.00	25410.00	24473.00	39491.00	39324.00	52983.00	41363.00	20002.00	15918.00	45238.00	42377.00	36403.00	36154.00	25554.00	28131.00	35735.00	37299.00	45781.00	41880.00	25980.00	26415.00	52203.00	11579.00	44577.00	43422.00	37344.00	35506.00	38049.00	39321.00	33274.00	33040.00	47647.00	41959.00	12175.00	8345.00	44662.00	44240.00	42180.00	44725.00	40304.00	39712.00	12352.00	14304.00	43253.00	48528.00	46235.00	48883.00	16626.00	17479.00	41174.00	45095.00
C7 H2 Cl2 O3 S5	21789.00	23397.00	18404.00	17114.00	19693.00	19440.00	19165.00	19821.00	18811.00	18536.00	23431.00	20999.00	20183.00	17548.00	22562.00	20092.00	21179.00	22171.00	17253.00	21627.00	20580.00	20575.00	24836.00	22989.00	24421.00	21413.00	19995.00	19473.00	18615.00	18306.00	18991.00	19755.00	20075.00	20238.00	20788.00	21643.00	22443.00	24705.00	20199.00	20549.00	21482.00	22238.00	22027.00	20096.00	24992.00	24940.00	23076.00	22154.00	22155.00	21604.00	24166.00	24481.00	19891.00	21198.00
C29 H28 N3 O16 Esi-11.454003	55675.00	55514.00	1.00	1.00	1.00	1.00	1.00	1.00	30482.00	31808.00	40073.00	41065.00	1.00	1.00	59211.00	63022.00	51613.00	52584.00	31046.00	31296.00	46424.00	40997.00	57760.00	60484.00	70559.00	73209.00	48039.00	43315.00	58360.00	53485.00	48522.00	47227.00	1.00	1.00	1.00	18512.00	54644.00	55270.00	78350.00	74939.00	72156.00	68588.00	80849.00	77538.00	32785.00	32058.00	18293.00	1.00	23765.00	23200.00	41421.00	40785.00	59705.00	55189.00
C53 H98 O3 S3	25009.00	24802.00	38871.00	44771.00	92381.00	68754.00	95868.00	1.00	125895.00	64149.00	1.00	60173.00	93659.00	76534.00	1.00	1.00	34794.00	34711.00	97026.00	72702.00	88702.00	67336.00	53076.00	60433.00	105732.00	62250.00	154348.00	52105.00	1.00	37523.00	80245.00	32918.00	67856.00	49840.00	39965.00	47630.00	1.00	22475.00	55432.00	66224.00	49858.00	25581.00	35422.00	131717.00	16646.00	1.00	1.00	22983.00	44079.00	64764.00	65967.00	58477.00	61001.00	23895.00
C15 H N2 S3	1.00	1.00	8793.00	1.00	11068.00	12354.00	20535.00	33725.00	18314.00	20836.00	1.00	1.00	16608.00	16089.00	1.00	1.00	1.00	1.00	23349.00	19948.00	27197.00	21751.00	1.00	1.00	11101.00	12368.00	25891.00	22684.00	22109.00	23693.00	20707.00	24224.00	17036.00	17259.00	22492.00	24318.00	12037.00	11848.00	24113.00	23780.00	21021.00	17133.00	19997.00	17927.00	1.00	1.00	24458.00	23319.00	22723.00	20645.00	12917.00	15135.00	28482.00	26823.00
C7 H N S	15908.00	19111.00	20045.00	17931.00	16058.00	20960.00	23288.00	21823.00	14778.00	10886.00	13671.00	14644.00	26035.00	24131.00	17057.00	18037.00	17847.00	19170.00	19639.00	24060.00	20282.00	19917.00	14659.00	14703.00	16394.00	14533.00	22727.00	31964.00	13445.00	13739.00	20484.00	11892.00	10505.00	19081.00	18739.00	19151.00	9798.00	13520.00	22838.00	23973.00	20850.00	30110.00	21692.00	28339.00	14554.00	15005.00	27629.00	28897.00	25489.00	32530.00	25141.00	23408.00	12014.00	13109.00
C8 H4 N O6 S3	34343.00	35833.00	1.00	1.00	1.00	1.00	1.00	1.00	15271.00	15879.00	26989.00	27518.00	12780.00	13161.00	30231.00	29721.00	27770.00	28586.00	11647.00	11330.00	9830.00	11108.00	34692.00	34358.00	34614.00	31505.00	11606.00	10998.00	1.00	1.00	9852.00	1.00	1.00	1.00	13183.00	15660.00	27815.00	28338.00	12615.00	11208.00	13058.00	12472.00	9461.00	10181.00	28028.00	25702.00	27516.00	27185.00	15342.00	15642.00	29590.00	29498.00	8889.00	1.00
5-(3-Buten-1-ynyl)-2,2'-bithiophene	13607.00	13118.00	12989.00	12514.00	15410.00	14627.00	15334.00	16600.00	18462.00	16855.00	12898.00	12723.00	14083.00	14741.00	15477.00	16389.00	12246.00	13428.00	20220.00	20565.00	16988.00	16716.00	14659.00	15270.00	23040.00	22629.00	26697.00	26011.00	13843.00	15147.00	28496.00	29767.00	20899.00	20526.00	15182.00	15695.00	16149.00	16418.00	18034.00	16497.00	18318.00	19650.00	14658.00	14948.00	23891.00	23119.00	29969.00	29908.00	18837.00	21331.00	1.00	1.00	15861.00	14203.00
C37 H79 N2 O	23819.00	26244.00	34912.00	36331.00	39646.00	33428.00	38300.00	38000.00	35522.00	32839.00	28905.00	30926.00	38307.00	37357.00	30141.00	32671.00	31951.00	31014.00	39020.00	36481.00	33081.00	41182.00	31977.00	31038.00	31004.00	37346.00	37268.00	38982.00	33606.00	41696.00	39933.00	40089.00	33580.00	32659.00	36173.00	38119.00	30215.00	37251.00	35340.00	41181.00	39902.00	41640.00	35960.00	37813.00	32958.00	28199.00	38003.00	35906.00	40118.00	41027.00	32926.00	35167.00	40859.00	39854.00
(13S)-13-Dihydrodaunorubicin	23355.00	22670.00	34091.00	33906.00	27343.00	27365.00	29681.00	27744.00	22171.00	15344.00	23250.00	25718.00	28014.00	28720.00	29152.00	29758.00	29405.00	29558.00	23918.00	24361.00	35378.00	38370.00	26700.00	22749.00	30706.00	28392.00	36396.00	36239.00	29987.00	31189.00	37227.00	36298.00	29235.00	28033.00	28858.00	23934.00	29855.00	30837.00	32695.00	33981.00	35432.00	35120.00	32287.00	32201.00	36675.00	36708.00	24754.00	23395.00	23749.00	24598.00	27651.00	30932.00	32796.00	31337.00
C25 H40 N11 O9 S	1.00	1.00	7413.00	3034.00	12640.00	6507.00	13220.00	35146.00	5330.00	8780.00	1.00	1.00	10019.00	1.00	1.00	1.00	1.00	1.00	15385.00	6979.00	16555.00	1.00	1.00	1.00	4139.00	1.00	20537.00	6243.00	27385.00	25664.00	1.00	13032.00	14313.00	1.00	1.00	8227.00	1.00	1.00	13166.00	6587.00	10160.00	1.00	10836.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	4646.00	1.00	20120.00	3959.00
Promacyl Esi-12.070005	29971.00	31976.00	31884.00	30670.00	31154.00	33486.00	30926.00	25294.00	32696.00	33849.00	30091.00	26886.00	30810.00	29421.00	28623.00	29192.00	28441.00	27870.00	31147.00	27150.00	24614.00	26591.00	26529.00	28608.00	29133.00	27529.00	25606.00	33050.00	29753.00	26969.00	27938.00	29870.00	26414.00	27657.00	30860.00	26125.00	26246.00	26266.00	31131.00	30297.00	30907.00	28422.00	28406.00	30978.00	26464.00	28684.00	26313.00	27363.00	29697.00	29455.00	30753.00	29595.00	28743.00	30012.00
C9 H3 Cl N O3	56807.00	68249.00	66357.00	66920.00	59914.00	61725.00	68692.00	83529.00	71334.00	70496.00	79145.00	70563.00	69251.00	68673.00	74103.00	80117.00	77525.00	69751.00	70822.00	75915.00	65571.00	55972.00	74794.00	77066.00	61301.00	61992.00	60294.00	55012.00	73547.00	71824.00	66088.00	69179.00	66713.00	65632.00	55083.00	69289.00	46101.00	70381.00	74937.00	64415.00	72625.00	73575.00	72486.00	64767.00	53714.00	61023.00	56418.00	87652.00	42915.00	61606.00	62677.00	60847.00	67183.00	66726.00
C50 H82 N S	1.00	1.00	5070.00	1.00	7305.00	3460.00	5355.00	13345.00	6250.00	10144.00	1.00	1.00	8074.00	1.00	1.00	1.00	5592.00	4822.00	13995.00	8927.00	17690.00	5193.00	1.00	3095.00	7462.00	4330.00	18503.00	10821.00	31389.00	33976.00	8368.00	15340.00	8327.00	1.00	1.00	6422.00	1.00	4355.00	21154.00	14808.00	16067.00	7023.00	19164.00	8134.00	1.00	1.00	1.00	1.00	3786.00	1.00	8614.00	5495.00	32568.00	12158.00
PAF C-16 Esi-12.328002 :1	1.00	1.00	71794.00	34999.00	99815.00	56069.00	79721.00	379723.00	43702.00	59471.00	1.00	1.00	79818.00	28993.00	1.00	1.00	20796.00	15590.00	100856.00	49352.00	162442.00	29585.00	1.00	1.00	23171.00	18581.00	125504.00	44000.00	297701.00	321470.00	34349.00	100059.00	103996.00	27746.00	21607.00	73877.00	1.00	1.00	92528.00	51922.00	45543.00	18923.00	55860.00	15763.00	1.00	1.00	1.00	1.00	23561.00	14202.00	37660.00	21591.00	164919.00	37395.00
C39 H73 N19	16383.00	19675.00	40241.00	22174.00	1.00	41112.00	57236.00	105118.00	56948.00	45400.00	1.00	24138.00	23016.00	31464.00	32778.00	67076.00	47938.00	34156.00	57975.00	51373.00	66299.00	39409.00	28170.00	23801.00	1.00	34294.00	92504.00	48941.00	271669.00	1.00	86923.00	20974.00	1.00	28814.00	28225.00	65052.00	26337.00	20610.00	57419.00	87585.00	67824.00	57494.00	86742.00	41824.00	19936.00	15230.00	17415.00	19047.00	33265.00	1.00	37879.00	31087.00	48891.00	64688.00
C14 H6 N2 O16 S2 Esi-13.447006 :1	18253.00	25987.00	25531.00	18346.00	71004.00	19451.00	24518.00	23273.00	17661.00	28745.00	23836.00	18982.00	25054.00	19217.00	21261.00	23245.00	27470.00	22187.00	36380.00	30353.00	35280.00	24344.00	26797.00	23794.00	19867.00	22706.00	38913.00	25688.00	36714.00	27271.00	19331.00	36851.00	26099.00	33888.00	16989.00	27226.00	27498.00	28154.00	45623.00	37025.00	38353.00	19479.00	43719.00	30572.00	18173.00	24618.00	20988.00	15095.00	28218.00	16637.00	22805.00	28836.00	40879.00	29860.00
Pregna-4,16-diene-3,11,20-trione Esi-10.840004	18971.00	307351.00	44793.00	208847.00	24109.00	46244.00	297504.00	271667.00	30784.00	46888.00	318257.00	311012.00	278136.00	25202.00	25746.00	48670.00	37918.00	287488.00	336978.00	52141.00	45255.00	29903.00	48582.00	46848.00	296421.00	283938.00	45016.00	21425.00	294090.00	267348.00	225833.00	275723.00	284942.00	18910.00	272940.00	41920.00	264420.00	26978.00	18298.00	275427.00	290686.00	46564.00	20521.00	23348.00	288039.00	282268.00	43369.00	23661.00	57937.00	257686.00	274766.00	280169.00	264150.00	38333.00
15-hydroxy stearic acid Esi-12.179	141004.00	33264.00	207819.00	58558.00	80795.00	65563.00	28665.00	113675.00	104910.00	204253.00	62130.00	177712.00	65747.00	19924.00	141963.00	189948.00	69516.00	77118.00	72437.00	28767.00	62325.00	145987.00	172188.00	53258.00	179262.00	115343.00	57202.00	31152.00	100395.00	196193.00	77128.00	160523.00	158410.00	122806.00	137814.00	75191.00	102274.00	184429.00	119644.00	110995.00	127976.00	162964.00	146030.00	181862.00	193151.00	191545.00	124498.00	108250.00	95977.00	132774.00	81880.00	107750.00	114733.00	77533.00
Acetyl-L-tyrosine	13637.00	14562.00	20305.00	18443.00	26669.00	26406.00	16939.00	17790.00	24394.00	24841.00	15497.00	14055.00	15670.00	17413.00	1.00	1.00	1.00	1.00	16709.00	15399.00	1.00	1.00	10030.00	12514.00	9693.00	11207.00	27080.00	26975.00	1.00	1.00	22905.00	23424.00	16553.00	13649.00	22057.00	21831.00	16125.00	12443.00	23457.00	22023.00	22658.00	23246.00	24118.00	22079.00	18868.00	18940.00	26701.00	25841.00	34175.00	33374.00	30314.00	31204.00	20563.00	21739.00
C31 H59 N6 O11	1.00	12256.00	113667.00	65701.00	46841.00	144349.00	23389.00	87400.00	69315.00	28604.00	27190.00	43182.00	43132.00	13677.00	20348.00	22580.00	45973.00	43343.00	17883.00	13199.00	282764.00	49671.00	24493.00	20782.00	57860.00	47941.00	177007.00	91193.00	66698.00	69221.00	77673.00	17743.00	257702.00	82326.00	70676.00	41566.00	15214.00	27494.00	31043.00	15168.00	79755.00	31191.00	19894.00	30894.00	16390.00	17253.00	38470.00	39409.00	92682.00	69711.00	30545.00	64897.00	79096.00	124521.00
Val His Lys	35340.00	37055.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	24121.00	44376.00	26383.00	42033.00	1.00	1.00	45856.00	1.00	35445.00	30559.00	49020.00	30388.00	45205.00	30762.00	27326.00	34404.00	49156.00	21935.00	1.00	1.00	1.00	1.00	27399.00	26164.00	21887.00	54998.00	28735.00	20431.00	40504.00	44194.00	38589.00	37045.00	1.00	1.00	1.00	1.00	43851.00	42202.00	34034.00	16001.00
C29 H49 N3 O12 Esi-6.890005	45979.00	130459.00	45227.00	50394.00	127312.00	131604.00	85764.00	90245.00	48514.00	50521.00	170188.00	143209.00	70977.00	86441.00	214316.00	215426.00	74947.00	74645.00	113439.00	115804.00	81193.00	29461.00	152813.00	150562.00	108541.00	115599.00	71023.00	68007.00	72026.00	77652.00	99653.00	33734.00	84877.00	82381.00	103016.00	103393.00	202421.00	204983.00	81516.00	85671.00	64738.00	64592.00	23622.00	67093.00	329015.00	323777.00	76845.00	80452.00	106981.00	105754.00	183524.00	190335.00	29205.00	91672.00
Butopyronoxyl Esi-8.050997	1.00	1.00	30371.00	30364.00	46630.00	36817.00	30403.00	40535.00	18934.00	28472.00	1.00	27870.00	67206.00	30489.00	16329.00	31337.00	43637.00	33721.00	31371.00	29091.00	21361.00	43237.00	1.00	1.00	40045.00	31706.00	47638.00	39572.00	18778.00	46673.00	34016.00	37664.00	30131.00	30432.00	19149.00	65103.00	1.00	50474.00	94755.00	43689.00	22205.00	33703.00	21183.00	20929.00	35671.00	35097.00	17058.00	49589.00	14496.00	1.00	24071.00	39610.00	56779.00	19363.00
MGK 264	28159.00	29296.00	27006.00	29464.00	29428.00	30063.00	31457.00	25591.00	33626.00	30463.00	33415.00	32012.00	25696.00	30917.00	30264.00	30923.00	31279.00	30923.00	32175.00	30532.00	31587.00	31836.00	30293.00	30093.00	30571.00	31337.00	28667.00	30366.00	28521.00	26490.00	31778.00	32168.00	30683.00	29957.00	29453.00	32005.00	29549.00	31041.00	35568.00	35756.00	32935.00	34711.00	31844.00	29268.00	30756.00	31178.00	30349.00	29366.00	30724.00	30297.00	32942.00	30125.00	30932.00	33696.00
C20 H4 N O23 S	1.00	1.00	13109.00	1.00	11601.00	11584.00	11185.00	11826.00	1.00	13132.00	1.00	1.00	11494.00	1.00	1.00	1.00	1.00	1.00	11493.00	9202.00	8913.00	1.00	1.00	1.00	1.00	1.00	12985.00	1.00	18142.00	1.00	1.00	13105.00	11005.00	1.00	1.00	12808.00	1.00	1.00	11644.00	11325.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12791.00	1.00	11331.00	1.00	12862.00	1.00
C31 H45 N10 O19	1.00	1.00	15588.00	14933.00	11593.00	10006.00	14070.00	14003.00	11666.00	11830.00	1.00	1.00	10775.00	11060.00	1.00	1.00	1.00	1.00	13056.00	11817.00	14837.00	13975.00	1.00	1.00	1.00	1.00	15538.00	14183.00	19663.00	19114.00	1.00	11057.00	14803.00	14758.00	9900.00	1.00	1.00	1.00	13722.00	13105.00	13840.00	11357.00	12083.00	11271.00	1.00	1.00	10021.00	10692.00	11606.00	12564.00	1.00	1.00	14375.00	10712.00
C28 H51 N4 O12	1.00	1.00	38045.00	30719.00	47475.00	37369.00	48584.00	121267.00	30485.00	39188.00	1.00	12467.00	42127.00	29262.00	1.00	1.00	15396.00	13541.00	53071.00	34463.00	76361.00	26118.00	1.00	1.00	15206.00	1.00	72235.00	33274.00	119188.00	118115.00	26454.00	51633.00	49472.00	26227.00	20321.00	34907.00	1.00	1.00	41549.00	29001.00	33420.00	21475.00	35660.00	18569.00	1.00	1.00	16303.00	16893.00	24831.00	20826.00	18359.00	1.00	78986.00	29331.00
Sulfamethoxazole	13630.00	12769.00	13901.00	12763.00	19609.00	20209.00	18117.00	19441.00	15448.00	14899.00	18510.00	19449.00	11585.00	11814.00	16219.00	16610.00	18755.00	19895.00	33169.00	33088.00	25255.00	24458.00	15840.00	16721.00	20866.00	20195.00	18130.00	19975.00	15893.00	13687.00	17326.00	17057.00	25975.00	25667.00	26353.00	28969.00	13493.00	13743.00	17749.00	17347.00	14984.00	16595.00	15136.00	16538.00	17513.00	21121.00	33658.00	33552.00	27702.00	28336.00	16619.00	14808.00	14147.00	14787.00
C16 H4 Cl2 N O3 S5	30996.00	28875.00	16484.00	17551.00	17506.00	19211.00	21200.00	20713.00	20119.00	22191.00	28937.00	26564.00	22529.00	19421.00	27038.00	30784.00	28183.00	27191.00	20143.00	22302.00	20520.00	20971.00	31517.00	31565.00	27935.00	27414.00	19311.00	19620.00	19940.00	19763.00	20235.00	21129.00	19690.00	19027.00	22467.00	24470.00	28317.00	26166.00	21855.00	18723.00	22085.00	23880.00	22238.00	19170.00	30647.00	30368.00	21035.00	22334.00	23239.00	22436.00	28599.00	29273.00	21997.00	20590.00
C23 H51 N27 O2	16814.00	13505.00	36080.00	34673.00	36537.00	34245.00	38331.00	35524.00	29165.00	25870.00	23528.00	24256.00	34503.00	33445.00	26686.00	22267.00	20862.00	22926.00	37618.00	31716.00	33598.00	37213.00	23905.00	19375.00	22275.00	24403.00	37932.00	40936.00	33951.00	33730.00	34238.00	35396.00	34109.00	37134.00	31030.00	30740.00	21996.00	27148.00	33498.00	37011.00	34148.00	35545.00	36473.00	36486.00	26062.00	23959.00	32117.00	32530.00	29956.00	29788.00	29387.00	29101.00	36969.00	37597.00
3-Epihydroxymugineic acid Esi-1.2580003	24624.00	24469.00	22937.00	24304.00	24448.00	23376.00	26615.00	28716.00	23369.00	20990.00	24937.00	26398.00	24538.00	25037.00	22815.00	24764.00	29863.00	30223.00	25738.00	24356.00	25474.00	24047.00	24467.00	23906.00	25213.00	28813.00	31466.00	29617.00	29496.00	32257.00	27029.00	25128.00	24805.00	25198.00	23360.00	22399.00	27341.00	27912.00	27559.00	26334.00	27358.00	26508.00	29625.00	30439.00	25681.00	29438.00	24958.00	25404.00	23909.00	24020.00	28102.00	29151.00	25942.00	24943.00
C26 H57 N22	13912.00	15324.00	36582.00	35421.00	34247.00	31962.00	30728.00	34656.00	23711.00	25148.00	21202.00	22238.00	31691.00	29713.00	21506.00	23725.00	19687.00	20948.00	31820.00	29848.00	32494.00	31892.00	18893.00	18922.00	19193.00	21661.00	32015.00	33374.00	32019.00	34467.00	31009.00	33783.00	32684.00	33978.00	33537.00	31072.00	24021.00	23268.00	31762.00	34355.00	31315.00	32820.00	37057.00	34931.00	22654.00	21509.00	30441.00	30595.00	28757.00	28431.00	27146.00	24706.00	35304.00	35921.00
Metipranolol	29154.00	30866.00	27194.00	26665.00	32746.00	28922.00	33132.00	37080.00	31940.00	28285.00	34408.00	31525.00	28365.00	29345.00	30129.00	34745.00	27532.00	30886.00	31787.00	31072.00	32194.00	29758.00	32393.00	30480.00	33405.00	52842.00	29504.00	28964.00	30504.00	30646.00	31646.00	32998.00	31521.00	29272.00	29864.00	31639.00	34055.00	33429.00	33938.00	32776.00	33095.00	32679.00	30673.00	32277.00	30993.00	32066.00	30562.00	31095.00	30512.00	33384.00	29604.00	34194.00	34681.00	32971.00
C25 H38 N5 O2	1.00	1.00	12655.00	1.00	18436.00	9931.00	15813.00	34495.00	1.00	14469.00	1.00	1.00	14294.00	1.00	1.00	1.00	1.00	1.00	16626.00	1.00	20386.00	1.00	1.00	1.00	1.00	1.00	21991.00	12011.00	27650.00	26948.00	1.00	17717.00	14798.00	1.00	1.00	13640.00	1.00	1.00	15661.00	1.00	9130.00	1.00	14726.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	20689.00	1.00
C3 H6 N3 S Esi-1.2720002 :1	123732.00	125563.00	113212.00	55514.00	128478.00	131450.00	124497.00	62635.00	55332.00	55719.00	146505.00	140074.00	112949.00	110734.00	74132.00	81050.00	147914.00	145811.00	119948.00	71188.00	139532.00	133571.00	89876.00	101626.00	92545.00	144560.00	142138.00	77853.00	76285.00	76525.00	74749.00	83367.00	133485.00	132980.00	125933.00	139031.00	118324.00	105727.00	68368.00	113923.00	122736.00	72583.00	77151.00	70455.00	83774.00	144430.00	154684.00	146473.00	142127.00	145022.00	86024.00	145989.00	134966.00	128155.00
Nepetalactone trans-cis-form	1.00	1.00	13157.00	13655.00	14570.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	17763.00	17531.00	13014.00	18289.00	18984.00	1.00	37873.00	15427.00	18819.00	1.00	1.00	21339.00	22232.00	16067.00	14495.00	1.00	1.00	22118.00	22952.00	1.00	14277.00	13824.00	13872.00	1.00	1.00	15325.00	1.00	14688.00	13310.00	56474.00	14170.00	1.00	12072.00	1.00	1.00	1.00	27911.00	14917.00	15965.00	23357.00	12163.00
PtdIns-(3,4,5)-P3-biotin	1.00	1.00	28257.00	18465.00	29521.00	22689.00	31373.00	1.00	16621.00	22376.00	1.00	1.00	28194.00	14509.00	1.00	1.00	1.00	1.00	32079.00	23985.00	27878.00	1.00	1.00	1.00	1.00	1.00	28110.00	21567.00	19687.00	1.00	15157.00	26296.00	28642.00	1.00	1.00	27075.00	1.00	1.00	25488.00	17911.00	18769.00	1.00	24607.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	18659.00	1.00	26636.00	17124.00
C47 H85 N2 O3	35830.00	38774.00	20296.00	19464.00	22926.00	22127.00	22602.00	25872.00	23347.00	25361.00	30355.00	32552.00	24521.00	24056.00	36909.00	30091.00	36784.00	35474.00	23117.00	23060.00	24694.00	23411.00	40104.00	37376.00	34760.00	32054.00	24604.00	26199.00	24254.00	23072.00	24462.00	22718.00	23419.00	25575.00	27678.00	31550.00	32774.00	32149.00	23944.00	21962.00	26272.00	23853.00	25246.00	23605.00	36157.00	35267.00	26523.00	24144.00	25366.00	25838.00	34865.00	35070.00	24295.00	24883.00
C28 H63 N7 O17 S	1.00	1.00	1.00	1.00	23532.00	16778.00	12316.00	37414.00	1.00	11529.00	1.00	1.00	16633.00	1.00	1.00	1.00	1.00	1.00	16297.00	10784.00	12949.00	1.00	1.00	1.00	1.00	1.00	11935.00	1.00	21986.00	26913.00	1.00	23142.00	17342.00	1.00	1.00	17994.00	1.00	1.00	11404.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10569.00	1.00	26839.00	1.00
Hexadecanedioic acid	49486.00	53949.00	1.00	1.00	1.00	1.00	1.00	1.00	26077.00	27946.00	28643.00	20959.00	1.00	1.00	40370.00	41108.00	39619.00	38997.00	1.00	1.00	32706.00	25743.00	41198.00	45619.00	83175.00	87598.00	42377.00	39417.00	42294.00	46330.00	37529.00	41422.00	1.00	1.00	1.00	1.00	48790.00	49301.00	53791.00	50116.00	66652.00	69548.00	92159.00	82806.00	46480.00	45101.00	1.00	1.00	36232.00	37757.00	51835.00	49491.00	78918.00	68424.00
Cystamine	22956.00	50428.00	26132.00	60043.00	90044.00	31174.00	65178.00	63764.00	67425.00	52979.00	69655.00	71365.00	58368.00	37268.00	84546.00	33092.00	37839.00	68033.00	78190.00	85980.00	59118.00	62226.00	92811.00	83756.00	31942.00	70002.00	80271.00	89559.00	22378.00	53086.00	43615.00	40223.00	63560.00	60500.00	73387.00	77961.00	69126.00	68574.00	81817.00	80455.00	60757.00	62862.00	57821.00	25187.00	38957.00	45596.00	74683.00	82080.00	68051.00	71876.00	29386.00	88800.00	68181.00	70850.00
C6 N S3	29391.00	32630.00	27103.00	43378.00	28794.00	30968.00	22319.00	44416.00	26596.00	32980.00	28916.00	40079.00	45740.00	29149.00	28237.00	31244.00	40474.00	46191.00	36104.00	32963.00	27147.00	23782.00	36633.00	45925.00	28097.00	26800.00	34845.00	47043.00	25211.00	40694.00	23559.00	29187.00	26831.00	31467.00	39240.00	27757.00	27659.00	25272.00	45899.00	29967.00	29057.00	30884.00	25419.00	41109.00	29196.00	39399.00	35302.00	33776.00	29022.00	45044.00	34560.00	45671.00	34736.00	29302.00
C21 H30 N6 Esi-13.122992	11092.00	10099.00	9939.00	19862.00	15347.00	9597.00	12202.00	30393.00	28048.00	12148.00	1.00	14520.00	14672.00	24132.00	10092.00	9198.00	16244.00	14407.00	18043.00	10559.00	19312.00	17260.00	17275.00	19536.00	16658.00	14665.00	20749.00	10124.00	24020.00	20690.00	24712.00	16774.00	16982.00	18584.00	21913.00	12755.00	10210.00	17132.00	14294.00	9639.00	10358.00	17511.00	12676.00	17637.00	1.00	1.00	9896.00	11048.00	25282.00	25903.00	29556.00	22465.00	21239.00	28018.00
C42 H77 N5 O	20118.00	27104.00	28037.00	27095.00	30896.00	28987.00	29185.00	28366.00	26695.00	25669.00	30421.00	30781.00	30287.00	31582.00	26434.00	28317.00	25453.00	33346.00	29237.00	28588.00	31474.00	30278.00	25989.00	26525.00	31978.00	25803.00	31598.00	26957.00	29990.00	28339.00	29777.00	29598.00	31926.00	29218.00	29599.00	31835.00	26199.00	31520.00	25000.00	32804.00	32832.00	27259.00	31221.00	26292.00	33794.00	31319.00	29449.00	30388.00	31476.00	30319.00	30888.00	32031.00	28692.00	32201.00
C11 H O2	31154.00	31291.00	19272.00	19280.00	23068.00	22948.00	24193.00	24792.00	31651.00	30314.00	29171.00	34259.00	20242.00	20248.00	21288.00	23052.00	30937.00	37732.00	19589.00	21044.00	20899.00	19250.00	29512.00	24575.00	38630.00	35241.00	23572.00	22473.00	20905.00	22670.00	25205.00	26729.00	25518.00	25686.00	26514.00	25778.00	29263.00	26660.00	23285.00	25798.00	20164.00	23800.00	19605.00	16772.00	27777.00	27956.00	25646.00	25951.00	28429.00	27590.00	30865.00	32177.00	23709.00	21355.00
5-(3-Hydroxy-4-acetoxybut-1-ynyl)-2,2'-bithiophene	21588.00	21009.00	24195.00	23809.00	26328.00	29564.00	27705.00	28901.00	25494.00	27301.00	27083.00	24560.00	16524.00	17556.00	22940.00	22335.00	17881.00	19531.00	18456.00	20297.00	25885.00	26372.00	20946.00	21901.00	24789.00	26129.00	24465.00	23980.00	23446.00	22868.00	22181.00	19512.00	21729.00	22748.00	18520.00	21460.00	21394.00	22302.00	22187.00	21182.00	27920.00	26542.00	26236.00	24895.00	24745.00	23472.00	22169.00	21889.00	19675.00	18905.00	19848.00	17863.00	23950.00	23709.00
C21 H41 N12	1.00	1.00	18674.00	1.00	19337.00	1.00	25209.00	68228.00	20996.00	29497.00	1.00	1.00	23024.00	1.00	1.00	1.00	1.00	1.00	30556.00	15667.00	52093.00	1.00	1.00	1.00	17930.00	1.00	41270.00	22242.00	73723.00	81794.00	16340.00	34951.00	24948.00	1.00	1.00	21168.00	1.00	1.00	28757.00	18703.00	29971.00	1.00	27037.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	21761.00	1.00	47023.00	19172.00
2-Pyridyl hydroxymethane sulfonic acid	1.00	1.00	1.00	1.00	26541.00	27066.00	28939.00	27427.00	22642.00	22275.00	23363.00	21550.00	1.00	1.00	24045.00	27247.00	1.00	1.00	32350.00	34204.00	21926.00	19875.00	24137.00	22329.00	21844.00	20585.00	27453.00	29128.00	22109.00	22113.00	1.00	1.00	30831.00	30489.00	18747.00	20633.00	21286.00	23808.00	18354.00	19724.00	24399.00	25891.00	23984.00	21535.00	22796.00	20855.00	36969.00	37941.00	21486.00	20028.00	26157.00	26707.00	23339.00	20429.00
Penicillin G	26324.00	24248.00	30979.00	28889.00	16669.00	17098.00	13122.00	16580.00	15761.00	16103.00	16487.00	16331.00	14698.00	13648.00	23316.00	21421.00	13576.00	14131.00	17459.00	17855.00	9269.00	9577.00	19928.00	17878.00	1.00	1.00	17769.00	15613.00	11626.00	10557.00	20008.00	18230.00	12322.00	12323.00	9204.00	1.00	10042.00	10998.00	15875.00	12922.00	11829.00	9929.00	9300.00	1.00	16119.00	15648.00	18401.00	17142.00	14417.00	14597.00	8829.00	1.00	11002.00	10542.00
C3 H2 Cl N4 O3 S	25947.00	27062.00	10791.00	12604.00	16938.00	18029.00	15540.00	18921.00	12194.00	24275.00	11854.00	13461.00	17659.00	16940.00	25428.00	25531.00	12977.00	27698.00	29454.00	25869.00	15137.00	28915.00	24123.00	24651.00	26956.00	28877.00	21194.00	18835.00	21886.00	22257.00	29976.00	29728.00	19527.00	22385.00	24774.00	14762.00	11650.00	28219.00	13702.00	27716.00	17152.00	15224.00	12814.00	15093.00	23783.00	26664.00	14192.00	28469.00	11968.00	12465.00	10322.00	29849.00	28016.00	14564.00
C41 H87 N2 O3	32492.00	28292.00	22318.00	20339.00	22732.00	23765.00	25993.00	22916.00	20689.00	20995.00	27531.00	29956.00	24827.00	24050.00	28858.00	31314.00	26179.00	34017.00	24099.00	23758.00	26447.00	23713.00	34075.00	33177.00	28537.00	28856.00	23664.00	24407.00	22491.00	20446.00	21636.00	22932.00	26747.00	26118.00	24171.00	26994.00	29079.00	27979.00	22996.00	24688.00	26795.00	25393.00	22805.00	24810.00	28667.00	26091.00	26053.00	25505.00	26320.00	23810.00	29201.00	31623.00	25286.00	25108.00
C15 Cl2 N2 O14 S4	55323.00	57651.00	1.00	1.00	28869.00	15419.00	24440.00	21850.00	25874.00	27297.00	47928.00	58625.00	26940.00	28869.00	52580.00	54011.00	55711.00	47647.00	14693.00	21750.00	26062.00	24372.00	61968.00	60033.00	65461.00	60601.00	27439.00	21837.00	14537.00	21015.00	31906.00	34853.00	29840.00	32668.00	35915.00	35981.00	59041.00	52189.00	23935.00	21820.00	21588.00	22928.00	24711.00	18942.00	48629.00	61164.00	27954.00	32504.00	27628.00	33956.00	50939.00	46365.00	23644.00	18565.00
C3 H2 N O4 Esi-0.84400064	79781.00	85200.00	53722.00	47422.00	52040.00	56102.00	54400.00	60846.00	60600.00	66335.00	73489.00	76099.00	57664.00	58658.00	79731.00	82055.00	77467.00	80922.00	58125.00	63380.00	58504.00	59940.00	79079.00	83035.00	82076.00	74551.00	58789.00	52619.00	51556.00	53393.00	62163.00	59097.00	58337.00	54935.00	64710.00	61179.00	70498.00	72853.00	58182.00	59195.00	60435.00	60577.00	57014.00	59850.00	72218.00	74996.00	62437.00	56209.00	67173.00	61923.00	74729.00	76533.00	60075.00	54379.00
C28 H43 N10 O5 Esi-9.729003	21852.00	22652.00	17999.00	18734.00	20306.00	20044.00	21568.00	24079.00	18504.00	20297.00	31243.00	34659.00	22332.00	22774.00	43090.00	40821.00	31482.00	27766.00	18586.00	17187.00	24089.00	22837.00	30448.00	27691.00	39114.00	39256.00	19602.00	19690.00	23466.00	25957.00	29508.00	30035.00	20538.00	17676.00	21790.00	23782.00	31272.00	30357.00	17396.00	17744.00	20462.00	17280.00	16773.00	12659.00	43674.00	47077.00	19118.00	19183.00	18441.00	20364.00	40966.00	41848.00	23772.00	21516.00
C3 H3 Cl N3 S	22494.00	22550.00	1.00	1.00	1.00	1.00	15253.00	16413.00	1.00	9647.00	13109.00	36091.00	26184.00	28887.00	25223.00	25591.00	17078.00	20753.00	14754.00	16116.00	16454.00	27248.00	20529.00	19152.00	14595.00	14789.00	14006.00	17439.00	9067.00	9070.00	1.00	1.00	1.00	1.00	10686.00	11152.00	12305.00	12744.00	37944.00	24218.00	18429.00	17458.00	20096.00	13087.00	16187.00	13260.00	20183.00	16519.00	21579.00	31710.00	37551.00	18742.00	1.00	1.00
C28 H32	1.00	49456.00	1.00	52102.00	35508.00	1.00	1.00	23480.00	83515.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	95750.00	59177.00	1.00	1.00	42405.00	50384.00	52480.00	53985.00	12794.00	30743.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	26674.00	1.00	86174.00	1.00	1.00	1.00	1.00	59396.00	1.00	1.00	29527.00	1.00	1.00	1.00	1.00	56013.00
Neoilludin A Esi-6.054995	281187.00	285308.00	355881.00	364865.00	430166.00	438754.00	363256.00	353323.00	367956.00	368231.00	463053.00	418618.00	415685.00	446253.00	392319.00	402140.00	469695.00	461913.00	381826.00	385361.00	353667.00	365173.00	381060.00	379865.00	419334.00	419749.00	549202.00	569774.00	404062.00	403047.00	337012.00	329009.00	549127.00	559810.00	446737.00	458233.00	483845.00	469422.00	358738.00	343075.00	303426.00	309472.00	482473.00	476329.00	1196717.00	1219671.00	412988.00	403654.00	410238.00	402494.00	452473.00	464545.00	340042.00	350430.00
13,14-dihydro-15-keto Prostaglandin J2 Esi-11.443993	252570.00	256898.00	93630.00	84662.00	59457.00	53938.00	70318.00	121268.00	145993.00	155534.00	182587.00	167529.00	95015.00	91253.00	287815.00	280133.00	271096.00	263681.00	167204.00	138570.00	271067.00	178773.00	261936.00	267773.00	378512.00	373275.00	287181.00	213649.00	428173.00	456058.00	253612.00	305831.00	86341.00	64318.00	96785.00	100664.00	251742.00	231894.00	523288.00	456202.00	417422.00	358374.00	511548.00	446476.00	138246.00	141438.00	78299.00	77251.00	119724.00	108047.00	199808.00	186874.00	442890.00	294089.00
13(S)-HODE Esi-11.9710045	81717.00	83758.00	35852.00	77433.00	70717.00	72001.00	19491.00	44802.00	29440.00	33021.00	38096.00	69621.00	50926.00	70240.00	94957.00	92318.00	96723.00	87254.00	39094.00	28253.00	115627.00	30269.00	82263.00	83203.00	117543.00	113951.00	64492.00	38166.00	141122.00	165668.00	122758.00	96253.00	87225.00	57042.00	44902.00	30757.00	57993.00	105389.00	90200.00	71079.00	105835.00	90467.00	87147.00	110374.00	97373.00	97001.00	50323.00	49579.00	55172.00	61328.00	60785.00	96379.00	138352.00	72345.00
Rishitin Esi-9.428	33351.00	32949.00	31129.00	34924.00	34122.00	34042.00	30236.00	32523.00	35824.00	35602.00	34573.00	34633.00	32786.00	33963.00	34453.00	35734.00	34115.00	29980.00	34295.00	33875.00	34285.00	36499.00	34154.00	31334.00	38448.00	34627.00	40333.00	44696.00	46239.00	39457.00	35923.00	36219.00	36340.00	39433.00	33955.00	32035.00	36417.00	38646.00	36078.00	35879.00	40281.00	34296.00	39985.00	35755.00	36250.00	31815.00	30466.00	31792.00	35229.00	32375.00	39837.00	32821.00	38308.00	35274.00
C18 H34 N3 O14 S	1.00	1.00	14575.00	14995.00	18687.00	19493.00	17823.00	15474.00	17376.00	16567.00	1.00	1.00	8728.00	1.00	1.00	1.00	1.00	1.00	11207.00	13709.00	24571.00	22573.00	1.00	1.00	10077.00	9528.00	28614.00	25391.00	14252.00	15498.00	12828.00	12439.00	15227.00	15588.00	10949.00	12473.00	1.00	1.00	14391.00	16077.00	12129.00	11663.00	11866.00	10922.00	1.00	1.00	22494.00	20986.00	18147.00	16304.00	10585.00	10260.00	23584.00	20254.00
N-formylmaleamic acid	26048.00	26434.00	25992.00	25870.00	26050.00	24889.00	25160.00	21319.00	28842.00	28527.00	29604.00	29574.00	28447.00	27286.00	26195.00	23515.00	33315.00	31430.00	24515.00	23526.00	29473.00	25226.00	21783.00	23159.00	29119.00	31517.00	32232.00	33487.00	28557.00	30426.00	31383.00	31630.00	33780.00	34444.00	30207.00	28439.00	29864.00	29540.00	32641.00	30577.00	35289.00	34684.00	31701.00	29735.00	30345.00	27046.00	31539.00	28454.00	24873.00	28406.00	31033.00	30970.00	26424.00	26432.00
C17 H23 N8 Esi-13.974001	1.00	1.00	15658.00	1.00	26127.00	1.00	23434.00	92599.00	9708.00	12424.00	1.00	1.00	18941.00	1.00	1.00	1.00	1.00	1.00	22347.00	12213.00	34853.00	1.00	1.00	1.00	1.00	1.00	17443.00	1.00	59086.00	75013.00	14068.00	30426.00	21341.00	1.00	1.00	14618.00	1.00	1.00	15000.00	10544.00	1.00	1.00	9292.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	46020.00	1.00
C16 H11 N S	13421.00	12855.00	15785.00	15840.00	12551.00	14070.00	17356.00	18492.00	17822.00	17356.00	21169.00	20327.00	16347.00	15640.00	15054.00	15374.00	19582.00	20178.00	13405.00	14138.00	21593.00	20620.00	18357.00	19756.00	18878.00	17798.00	25260.00	28500.00	28393.00	28727.00	20107.00	21554.00	17639.00	16610.00	17814.00	19115.00	20444.00	18495.00	18461.00	18676.00	23715.00	26137.00	22542.00	21947.00	17719.00	18670.00	21726.00	20765.00	16564.00	15912.00	25291.00	23076.00	19438.00	20729.00
C5 H9 N7 O2 Esi-1.8980008	60108.00	64646.00	63886.00	62276.00	75473.00	75419.00	69607.00	71733.00	101164.00	100517.00	115196.00	117816.00	59052.00	64280.00	75770.00	73954.00	83552.00	83648.00	86446.00	86497.00	79569.00	85653.00	86852.00	87078.00	75617.00	74125.00	97712.00	97906.00	74295.00	73763.00	76555.00	75510.00	77142.00	77311.00	83644.00	88521.00	84079.00	83174.00	111419.00	105688.00	75650.00	76283.00	81637.00	77191.00	78516.00	88182.00	106248.00	107327.00	100994.00	102560.00	110124.00	114909.00	109278.00	106297.00
C9 H15 O2	11703.00	1.00	17215.00	16887.00	16794.00	14815.00	18056.00	24700.00	14143.00	15721.00	12792.00	14445.00	19911.00	17757.00	15288.00	15459.00	17764.00	18592.00	16612.00	13365.00	20795.00	15414.00	10856.00	11821.00	24834.00	22785.00	20151.00	14654.00	25777.00	32093.00	21305.00	26184.00	19020.00	14323.00	15647.00	16123.00	1.00	12510.00	21020.00	17016.00	16388.00	13235.00	14681.00	14852.00	15629.00	17079.00	12463.00	13416.00	13089.00	12887.00	20689.00	16566.00	27316.00	15858.00
C3 H2 N3 O3 Esi-1.329	40441.00	46201.00	50073.00	52118.00	49704.00	47352.00	53714.00	45436.00	42962.00	41434.00	51579.00	45078.00	43936.00	49902.00	54345.00	51192.00	50729.00	41099.00	49313.00	40793.00	51768.00	43687.00	49612.00	56133.00	53917.00	42774.00	52574.00	53675.00	56644.00	47564.00	58505.00	52016.00	44550.00	46641.00	56196.00	55399.00	57982.00	45324.00	56789.00	54746.00	47589.00	56724.00	51125.00	55763.00	45922.00	55175.00	43203.00	43711.00	54575.00	43202.00	46667.00	45647.00	45419.00	54799.00
Phytuberin Esi-13.965008	32919.00	29253.00	58296.00	22068.00	165383.00	68488.00	120211.00	374656.00	78595.00	113644.00	27884.00	74192.00	144017.00	21036.00	8771.00	12523.00	87053.00	40855.00	196228.00	62758.00	259676.00	23890.00	95734.00	120235.00	18911.00	107817.00	233272.00	38931.00	561353.00	535554.00	45119.00	284230.00	158830.00	106198.00	125694.00	102028.00	16817.00	83289.00	111214.00	32916.00	40364.00	96011.00	251850.00	82459.00	15089.00	12308.00	33922.00	58817.00	177471.00	172788.00	66661.00	17527.00	350207.00	37936.00
His Asp Esi-1.2720002	82093.00	79346.00	111313.00	106485.00	148933.00	141868.00	135239.00	129093.00	111061.00	58128.00	110335.00	108245.00	75197.00	45979.00	44925.00	66627.00	100633.00	98134.00	93534.00	99203.00	68423.00	125206.00	79826.00	76915.00	94478.00	95816.00	126311.00	129707.00	46792.00	68851.00	47473.00	77451.00	103170.00	103195.00	99378.00	97850.00	70241.00	66235.00	81543.00	83587.00	79768.00	45446.00	43360.00	42374.00	80100.00	72760.00	72245.00	141471.00	133438.00	67631.00	105719.00	96791.00	103975.00	104824.00
C30 H39 N6 O3	1.00	1.00	12275.00	8446.00	15767.00	10505.00	13212.00	28331.00	8630.00	14344.00	1.00	1.00	13485.00	8043.00	1.00	1.00	4807.00	3648.00	15105.00	10330.00	18629.00	7011.00	3202.00	1.00	4525.00	3640.00	18188.00	8985.00	27432.00	30356.00	6382.00	15950.00	15723.00	7720.00	5203.00	11343.00	1.00	1.00	11887.00	7111.00	8701.00	5001.00	9894.00	4887.00	1.00	1.00	4723.00	4333.00	7161.00	5773.00	6550.00	3449.00	20921.00	8540.00
C14 H26 N11 O7	1.00	1.00	11392.00	12116.00	16707.00	12874.00	15565.00	25274.00	14151.00	17262.00	1.00	1.00	17763.00	1.00	1.00	1.00	13813.00	13325.00	22005.00	15762.00	25761.00	1.00	12638.00	1.00	13542.00	1.00	23580.00	15006.00	34022.00	32378.00	17229.00	25140.00	19314.00	1.00	1.00	15570.00	1.00	1.00	19821.00	19671.00	16610.00	13821.00	18007.00	13255.00	1.00	1.00	1.00	1.00	1.00	1.00	15389.00	12663.00	31359.00	16988.00
Diacetyl Esi-0.9010007	111521.00	96288.00	163160.00	155817.00	186778.00	179568.00	174068.00	168555.00	153388.00	149505.00	120644.00	116277.00	128781.00	116971.00	88029.00	77353.00	121001.00	120687.00	145602.00	140368.00	170836.00	186156.00	96417.00	102959.00	133179.00	141434.00	179616.00	189272.00	156559.00	149992.00	140871.00	139123.00	145842.00	159349.00	152798.00	149660.00	117508.00	132437.00	157526.00	148702.00	149295.00	139638.00	149999.00	135094.00	103552.00	106195.00	175314.00	173702.00	153577.00	155565.00	125580.00	145716.00	167944.00	164686.00
C9 H10 Cl2 N2 O S5	31945.00	32919.00	16486.00	16105.00	17625.00	18846.00	18835.00	18826.00	22671.00	23400.00	26776.00	26735.00	20685.00	20017.00	25324.00	28201.00	24277.00	25684.00	18737.00	18568.00	21251.00	18620.00	29409.00	31546.00	26911.00	28860.00	18014.00	18903.00	17046.00	16553.00	19272.00	20277.00	19994.00	18526.00	21647.00	20973.00	26180.00	27656.00	19886.00	19737.00	21233.00	18277.00	19102.00	20024.00	27896.00	29755.00	21753.00	23755.00	22200.00	24581.00	27053.00	29821.00	19160.00	18990.00
Scarlet Red	41760.00	38008.00	42223.00	41865.00	44751.00	43636.00	45296.00	39248.00	39572.00	40662.00	42270.00	39057.00	39354.00	40743.00	38347.00	35877.00	37234.00	33227.00	42948.00	38696.00	37568.00	36594.00	38683.00	38623.00	35409.00	35000.00	36420.00	38072.00	37573.00	39734.00	35602.00	40631.00	36315.00	38680.00	40199.00	38178.00	36803.00	36086.00	35877.00	37353.00	35187.00	38614.00	38417.00	38743.00	36201.00	38651.00	39146.00	39237.00	38042.00	37215.00	36586.00	36962.00	36076.00	36532.00
Nabam Esi-0.78300065	428704.00	420041.00	240419.00	238525.00	258959.00	268659.00	425135.00	446854.00	500130.00	504276.00	492363.00	489617.00	442393.00	459513.00	462381.00	478070.00	481553.00	481471.00	413249.00	419279.00	388184.00	414000.00	458871.00	460555.00	563042.00	561790.00	383705.00	387309.00	411573.00	422693.00	523709.00	524655.00	355539.00	355372.00	522648.00	553265.00	526383.00	532168.00	509486.00	483829.00	453053.00	472397.00	448680.00	451811.00	503572.00	519236.00	506612.00	498965.00	516610.00	519188.00	474909.00	499699.00	479824.00	481284.00
C18 H Cl3 N6 O S3	30665.00	32738.00	17026.00	15974.00	18132.00	17137.00	20154.00	19601.00	22047.00	20774.00	26128.00	25919.00	19355.00	18261.00	27437.00	24734.00	23705.00	23956.00	19717.00	20684.00	21192.00	17497.00	30704.00	29658.00	26779.00	29206.00	17179.00	19685.00	18264.00	16216.00	21371.00	19736.00	19803.00	19786.00	19934.00	22133.00	29292.00	28056.00	21812.00	20326.00	19715.00	21422.00	19694.00	21465.00	30134.00	29528.00	23432.00	23160.00	23081.00	23031.00	27347.00	28101.00	18615.00	18986.00
C7 H7 Cl N3 O2 S4	30267.00	33226.00	1.00	1.00	1.00	1.00	1.00	1.00	20859.00	23713.00	31215.00	30968.00	1.00	23467.00	30249.00	32169.00	22708.00	24429.00	1.00	1.00	23468.00	1.00	33256.00	32131.00	30332.00	29604.00	24482.00	1.00	1.00	1.00	1.00	26965.00	1.00	1.00	23204.00	30269.00	29349.00	29598.00	28668.00	1.00	1.00	25523.00	1.00	1.00	30680.00	31751.00	22271.00	20939.00	21967.00	25064.00	27991.00	28481.00	1.00	1.00
Taurocholic acid Esi-6.434 :1	28914.00	24097.00	35539.00	34163.00	29931.00	26885.00	26944.00	27781.00	29557.00	29858.00	20490.00	18142.00	15640.00	18479.00	17571.00	17310.00	19781.00	19439.00	67096.00	63795.00	15086.00	16288.00	17064.00	19073.00	1.00	1.00	20647.00	20507.00	1.00	1.00	17977.00	19024.00	21228.00	22979.00	37409.00	38217.00	1.00	1.00	72172.00	72912.00	20710.00	20329.00	20556.00	19805.00	27779.00	28529.00	1.00	1.00	21988.00	20762.00	1.00	1.00	1.00	1.00
C14 H2 N4 O6 S2 Esi-14.122	1.00	1.00	1.00	1.00	1.00	13350.00	1.00	38794.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	17622.00	1.00	26626.00	16622.00	24096.00	1.00	15879.00	1.00	1.00	1.00	22372.00	1.00	79911.00	25901.00	14595.00	27533.00	11477.00	1.00	1.00	14080.00	1.00	1.00	14308.00	16619.00	25634.00	19687.00	17660.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13559.00	1.00	35536.00	14081.00
Monocerin	25668.00	25420.00	23581.00	24335.00	25066.00	27082.00	23274.00	22622.00	26870.00	24270.00	29243.00	31297.00	22256.00	23767.00	21056.00	24857.00	22752.00	24584.00	27374.00	27320.00	23147.00	25342.00	20588.00	21616.00	26867.00	29621.00	25314.00	23530.00	21683.00	23546.00	23849.00	21575.00	27086.00	25009.00	28619.00	28227.00	20956.00	24130.00	24321.00	25805.00	25240.00	24071.00	23622.00	22630.00	24884.00	23009.00	24263.00	23277.00	30258.00	27587.00	23606.00	25224.00	24840.00	24761.00
C15 H24 N11 O7	58746.00	57346.00	1.00	1.00	1.00	1.00	1.00	1.00	32617.00	32297.00	42136.00	42957.00	1.00	1.00	65310.00	66625.00	61180.00	61526.00	34036.00	30146.00	54748.00	41799.00	60352.00	59016.00	78920.00	75626.00	54500.00	44568.00	76042.00	73466.00	50917.00	56476.00	1.00	1.00	19126.00	1.00	54117.00	55410.00	96461.00	86980.00	86674.00	78716.00	101703.00	85417.00	29911.00	31342.00	1.00	1.00	23526.00	21829.00	42480.00	41284.00	74541.00	58979.00
C3 H2 N2 O4 S	1.00	55286.00	1.00	23755.00	10536.00	40040.00	1.00	1.00	1.00	42321.00	1.00	62899.00	59201.00	54131.00	1.00	47346.00	45330.00	70069.00	36593.00	42637.00	55092.00	21845.00	54848.00	67212.00	69368.00	1.00	1.00	1.00	1.00	1.00	1.00	39092.00	36517.00	1.00	1.00	36426.00	1.00	68111.00	38445.00	13162.00	46392.00	1.00	33584.00	1.00	32695.00	42162.00	45115.00	1.00	1.00	97432.00	42743.00	55857.00	1.00	17810.00
C44 H63 N2 O10 S	16618.00	15532.00	29837.00	30275.00	30506.00	27959.00	27348.00	28186.00	22823.00	25871.00	20650.00	19838.00	28099.00	26979.00	20270.00	20259.00	18283.00	17801.00	30366.00	30061.00	28027.00	27761.00	17212.00	19336.00	20147.00	19568.00	28503.00	28203.00	28034.00	27612.00	30221.00	30663.00	28065.00	26455.00	25920.00	27959.00	21178.00	20601.00	30420.00	31238.00	28295.00	26678.00	28624.00	29290.00	20314.00	21296.00	28915.00	28309.00	27599.00	28925.00	21111.00	21181.00	29397.00	30482.00
PS(22:1(11Z)/0:0) Esi-11.127998	1.00	1.00	12033.00	1.00	14188.00	13043.00	15200.00	24977.00	10631.00	12917.00	1.00	1.00	12103.00	1.00	1.00	1.00	1.00	1.00	18944.00	15205.00	21756.00	13337.00	1.00	1.00	1.00	1.00	18776.00	15337.00	31066.00	32783.00	1.00	13684.00	18577.00	14111.00	1.00	10751.00	1.00	1.00	16599.00	14047.00	16485.00	11957.00	13088.00	1.00	1.00	1.00	10165.00	1.00	12786.00	11540.00	1.00	1.00	22121.00	12816.00
C47 H80 N4 S2 Esi-13.755004	1.00	28867.00	31801.00	27326.00	25086.00	38018.00	137914.00	1.00	85944.00	114941.00	1.00	95914.00	81623.00	84014.00	1.00	1.00	32326.00	54496.00	96708.00	65790.00	57337.00	123582.00	48786.00	28543.00	37154.00	34113.00	233563.00	62297.00	16801.00	79188.00	114821.00	21301.00	21466.00	62666.00	21319.00	29405.00	35511.00	32486.00	173640.00	103280.00	56354.00	36025.00	72647.00	78729.00	1.00	1.00	21835.00	21575.00	64451.00	34277.00	41378.00	77968.00	62190.00	80560.00
C27 H18 N16 O11	49936.00	48460.00	1.00	1.00	1.00	1.00	1.00	1.00	27563.00	29025.00	36948.00	33782.00	1.00	1.00	53943.00	51406.00	44356.00	44316.00	29150.00	28687.00	38182.00	36221.00	51274.00	53206.00	58227.00	58228.00	41514.00	38362.00	47275.00	43817.00	42415.00	41655.00	1.00	1.00	1.00	1.00	48110.00	49346.00	66824.00	67284.00	63018.00	62838.00	72093.00	63908.00	30117.00	29654.00	1.00	1.00	20976.00	17952.00	35796.00	37484.00	54743.00	51040.00
C16 H12 N O3 S Esi-8.437996	21739.00	22527.00	24049.00	24187.00	27287.00	27087.00	28410.00	25576.00	24215.00	23202.00	22348.00	24151.00	15050.00	15063.00	22857.00	23463.00	18598.00	19155.00	19252.00	21141.00	23539.00	28095.00	22895.00	20003.00	25782.00	22879.00	21223.00	24073.00	21713.00	24644.00	20092.00	22180.00	21522.00	22121.00	20764.00	22964.00	22656.00	23016.00	20561.00	22446.00	26172.00	25280.00	23777.00	26042.00	26695.00	24309.00	21004.00	19732.00	17348.00	18137.00	19183.00	21482.00	20729.00	25329.00
2-Phenylethanol glucuronide	17504.00	16922.00	13632.00	15259.00	19562.00	19210.00	24971.00	23935.00	22119.00	25590.00	14331.00	14989.00	18648.00	19715.00	16964.00	17956.00	21657.00	21106.00	28754.00	28607.00	26687.00	26853.00	20489.00	19735.00	20396.00	20463.00	22889.00	23243.00	26635.00	26145.00	21779.00	22977.00	24862.00	21873.00	16329.00	17383.00	23713.00	22045.00	16160.00	16980.00	21874.00	21407.00	14448.00	16181.00	26341.00	25802.00	26508.00	27541.00	28896.00	29930.00	1.00	1.00	24065.00	24840.00
Jasmonic acid	1.00	1.00	60371.00	54993.00	37217.00	1.00	40982.00	39385.00	45088.00	38183.00	30314.00	1.00	122179.00	109905.00	115400.00	1.00	80704.00	1.00	33507.00	70283.00	60409.00	68077.00	36285.00	29347.00	60034.00	86978.00	80968.00	68050.00	1.00	22828.00	72571.00	1.00	1.00	39812.00	47333.00	1.00	1.00	1.00	52855.00	1.00	52926.00	58973.00	52063.00	48547.00	1.00	57495.00	53123.00	37339.00	1.00	1.00	27090.00	115843.00	26037.00	62686.00
4-Hydroxyethinylestradiol Esi-10.257	308324.00	56660.00	23640.00	60553.00	62730.00	341718.00	58074.00	59698.00	62719.00	329201.00	28314.00	64438.00	60631.00	53379.00	35025.00	32935.00	56877.00	55175.00	60787.00	36112.00	57829.00	62300.00	30930.00	65434.00	57249.00	64004.00	32518.00	46413.00	59776.00	67059.00	64584.00	35234.00	32189.00	57314.00	63989.00	11610.00	54164.00	27036.00	327051.00	36372.00	29263.00	32422.00	29278.00	36482.00	37166.00	54049.00	60607.00	32550.00	60486.00	58908.00	61698.00	66506.00	60594.00	306435.00
Rishitin Esi-8.7109995	27177.00	26934.00	30091.00	29747.00	26430.00	29738.00	24202.00	24559.00	26034.00	25628.00	27426.00	26451.00	29919.00	25397.00	30603.00	25759.00	28259.00	29905.00	27645.00	31527.00	37219.00	34211.00	27748.00	28313.00	31306.00	33964.00	24484.00	34564.00	25555.00	31141.00	31083.00	31366.00	36423.00	28236.00	33987.00	31208.00	33413.00	28062.00	38701.00	39330.00	29054.00	32691.00	32441.00	31293.00	32478.00	33643.00	26227.00	32650.00	31914.00	26983.00	28576.00	33830.00	28232.00	27938.00
Primulasaponin	1.00	1.00	18269.00	18828.00	19209.00	21569.00	22561.00	21353.00	21797.00	18616.00	1.00	1.00	13395.00	16480.00	1.00	1.00	1.00	1.00	22166.00	22805.00	25620.00	26365.00	1.00	1.00	1.00	1.00	18136.00	14709.00	16565.00	13157.00	11452.00	10560.00	14136.00	16635.00	17529.00	16184.00	1.00	1.00	21406.00	22297.00	19383.00	22078.00	19413.00	22660.00	1.00	1.00	30595.00	27243.00	32832.00	33747.00	1.00	1.00	21810.00	21540.00
C16 H Cl3 N2 O3 S2	31632.00	30401.00	21861.00	20365.00	23556.00	24145.00	23423.00	26040.00	25371.00	24479.00	30792.00	30138.00	26151.00	26011.00	32514.00	29649.00	30712.00	31572.00	24020.00	24000.00	25159.00	25050.00	32872.00	32504.00	30537.00	30159.00	24893.00	21866.00	23847.00	25048.00	25782.00	24104.00	23726.00	24517.00	26788.00	25729.00	30830.00	30001.00	24710.00	24783.00	26609.00	26209.00	24565.00	25621.00	29193.00	31565.00	25272.00	25938.00	26241.00	26160.00	30888.00	28579.00	25043.00	24247.00
C31 H62 N11 O8	27082.00	26515.00	25520.00	25114.00	25468.00	25799.00	26767.00	25636.00	25122.00	26316.00	27583.00	24433.00	22241.00	24384.00	25340.00	25407.00	23248.00	26603.00	23072.00	25558.00	25269.00	23927.00	26095.00	23538.00	23946.00	25770.00	22147.00	24924.00	24857.00	23894.00	25664.00	24521.00	23965.00	23376.00	24509.00	24468.00	24257.00	27787.00	26989.00	26188.00	31615.00	32316.00	26015.00	25702.00	25449.00	24344.00	24043.00	24453.00	24647.00	26549.00	26062.00	24756.00	22776.00	24870.00
C45 H81 O	19186.00	21429.00	28075.00	26364.00	29463.00	24387.00	28082.00	28625.00	22559.00	24588.00	26499.00	26411.00	26915.00	26168.00	27178.00	23425.00	26237.00	28515.00	27728.00	31703.00	31198.00	28663.00	25710.00	25728.00	26828.00	25069.00	29432.00	29153.00	24392.00	25764.00	26271.00	29992.00	25547.00	28007.00	26365.00	28650.00	26092.00	21301.00	25417.00	25375.00	28646.00	31824.00	30647.00	25027.00	29905.00	23096.00	26245.00	27754.00	28266.00	33405.00	28149.00	26103.00	27337.00	27692.00
Pantothenic Acid	21499.00	21225.00	24650.00	25452.00	26006.00	27481.00	23529.00	25162.00	18998.00	19355.00	20669.00	22651.00	16735.00	18554.00	18554.00	19128.00	24323.00	22653.00	18474.00	20919.00	23197.00	25203.00	19775.00	19651.00	20932.00	21954.00	29605.00	28809.00	24780.00	21218.00	25478.00	25022.00	17613.00	18579.00	24288.00	22921.00	19101.00	17936.00	22973.00	23703.00	19306.00	21066.00	21433.00	22460.00	29453.00	24216.00	24819.00	24923.00	27296.00	28322.00	22670.00	20402.00	23789.00	24402.00
C31 H53 N5 O30	1.00	1.00	13986.00	11232.00	17244.00	14565.00	18016.00	30091.00	12482.00	14430.00	3649.00	5376.00	15792.00	12363.00	3083.00	1.00	4793.00	4552.00	18525.00	12997.00	23642.00	10692.00	3817.00	3598.00	6899.00	4760.00	21866.00	12573.00	31486.00	26785.00	10870.00	16428.00	16644.00	11613.00	7650.00	13334.00	1.00	3439.00	14949.00	11654.00	13332.00	8107.00	13790.00	7392.00	1.00	1.00	6933.00	8246.00	9909.00	8721.00	4284.00	4264.00	23032.00	11116.00
C11 H5 Cl3 N8 S	16161.00	27485.00	26523.00	13700.00	19908.00	14156.00	19134.00	37659.00	16392.00	22262.00	17422.00	20916.00	165914.00	17088.00	20238.00	23358.00	20359.00	25821.00	30895.00	26013.00	37546.00	23610.00	18946.00	16474.00	29454.00	32771.00	43414.00	18351.00	52343.00	45102.00	20656.00	33612.00	33600.00	13513.00	12591.00	20973.00	17006.00	17171.00	55527.00	31969.00	37259.00	24283.00	45270.00	27610.00	12585.00	39102.00	21872.00	39183.00	24760.00	13645.00	21007.00	22759.00	50232.00	23781.00
C42 H87 N11	23154.00	27200.00	13515.00	13640.00	13928.00	14797.00	13340.00	15605.00	17760.00	15295.00	24654.00	25111.00	16563.00	16616.00	25114.00	22858.00	24984.00	24411.00	15302.00	14965.00	16074.00	15424.00	27613.00	24899.00	25683.00	23572.00	15316.00	13194.00	14177.00	12188.00	15929.00	16127.00	14643.00	16190.00	17957.00	19894.00	25644.00	24170.00	15792.00	16030.00	16544.00	16698.00	14581.00	14751.00	24897.00	26023.00	16595.00	16319.00	16644.00	15313.00	24054.00	24334.00	13984.00	14599.00
C16 H3 Cl2 N O17 S2	26061.00	25056.00	20894.00	22052.00	20610.00	21264.00	23042.00	21526.00	20603.00	21963.00	25778.00	23155.00	23417.00	24076.00	26886.00	25654.00	25381.00	26827.00	21735.00	20557.00	23155.00	21256.00	28984.00	28333.00	27446.00	27982.00	22196.00	22101.00	21295.00	20598.00	22890.00	22256.00	21944.00	23424.00	23792.00	25905.00	25915.00	26496.00	22276.00	20807.00	23933.00	22992.00	21682.00	21341.00	25975.00	27497.00	23893.00	22495.00	21626.00	23275.00	26809.00	27405.00	20348.00	20298.00
C29 H55 N20 O	16234.00	16103.00	33723.00	31378.00	32544.00	31006.00	33604.00	32671.00	24655.00	23252.00	19023.00	23471.00	27777.00	32110.00	22972.00	22249.00	20181.00	23600.00	30861.00	31446.00	34041.00	32121.00	20581.00	21825.00	20805.00	22703.00	31435.00	34078.00	32190.00	29439.00	34856.00	30948.00	31287.00	32193.00	31409.00	29721.00	23228.00	22438.00	30441.00	33463.00	32228.00	30741.00	30756.00	32486.00	24140.00	22887.00	30185.00	31842.00	25734.00	28851.00	21280.00	26664.00	32393.00	32859.00
C39 H80 Cl N4	20525.00	20807.00	27059.00	26629.00	26421.00	27058.00	25581.00	29175.00	22238.00	23306.00	22882.00	25799.00	27095.00	24181.00	24243.00	26386.00	22119.00	23289.00	30254.00	28991.00	26162.00	28359.00	25534.00	25115.00	22998.00	24525.00	26852.00	29308.00	26541.00	23239.00	25143.00	29276.00	28327.00	27803.00	24126.00	24918.00	26427.00	27264.00	26746.00	27137.00	32092.00	27862.00	27115.00	30579.00	25363.00	23704.00	24300.00	24188.00	23536.00	25059.00	24888.00	25893.00	27493.00	26055.00
C14 H3 N2 O	24727.00	25925.00	16863.00	17272.00	17157.00	19380.00	24821.00	25099.00	1.00	1.00	1.00	1.00	52031.00	54788.00	28231.00	29964.00	1.00	1.00	47744.00	51689.00	14452.00	16045.00	22682.00	19721.00	1.00	1.00	22175.00	22188.00	17867.00	17897.00	17978.00	18169.00	30117.00	29986.00	22730.00	23944.00	26506.00	25803.00	17560.00	20745.00	15128.00	17044.00	15293.00	1.00	30682.00	27586.00	21489.00	24112.00	28075.00	25634.00	18119.00	21037.00	14544.00	17527.00
(+/-)-6-Hydroxy-3-oxo-alpha-ionol Esi-8.71274	50313.00	47590.00	18137.00	35650.00	1.00	1.00	14746.00	1.00	26650.00	24639.00	46574.00	54216.00	1.00	1.00	29872.00	13977.00	194302.00	30485.00	1.00	22248.00	83414.00	48928.00	69795.00	22871.00	238081.00	197981.00	30543.00	31864.00	45999.00	32594.00	21875.00	1.00	1.00	1.00	1.00	1.00	18991.00	29394.00	11874.00	23524.00	53748.00	64453.00	51188.00	43421.00	22799.00	28840.00	26742.00	23496.00	164312.00	1.00	32134.00	32774.00	14968.00	13606.00
Val His Lys Esi-11.894998	40559.00	42921.00	1.00	1.00	1.00	1.00	1.00	43928.00	1.00	33565.00	32354.00	34742.00	1.00	1.00	46884.00	48660.00	51065.00	45512.00	34803.00	1.00	53361.00	1.00	39870.00	35512.00	52018.00	55018.00	49109.00	34453.00	30332.00	28808.00	51216.00	20061.00	1.00	1.00	1.00	1.00	46487.00	45468.00	20007.00	36976.00	52739.00	37920.00	68386.00	47201.00	42754.00	44809.00	1.00	1.00	1.00	1.00	47687.00	48156.00	25483.00	14187.00
Pseudouridine	31236.00	30833.00	34920.00	33901.00	27476.00	27009.00	30686.00	30882.00	27231.00	26795.00	27001.00	25549.00	28192.00	28326.00	35523.00	35255.00	34116.00	35442.00	31453.00	31461.00	32463.00	31722.00	38431.00	36458.00	31499.00	31071.00	43690.00	41554.00	42179.00	35705.00	39020.00	38958.00	30590.00	29317.00	26219.00	28600.00	33993.00	32362.00	34265.00	32999.00	37805.00	40103.00	44933.00	42567.00	37078.00	39146.00	38376.00	37675.00	31969.00	32700.00	35753.00	37834.00	32424.00	30000.00
C33 H68 Cl N9 O3 S4	13157.00	10782.00	25213.00	24512.00	26739.00	25379.00	27296.00	27491.00	21236.00	19009.00	15524.00	15853.00	21411.00	23485.00	18396.00	17447.00	15123.00	22968.00	25899.00	28156.00	18254.00	25082.00	12816.00	17725.00	20505.00	18002.00	28386.00	25672.00	23792.00	22721.00	26405.00	26785.00	22312.00	26546.00	24194.00	23517.00	15718.00	17029.00	26125.00	26367.00	27275.00	26434.00	25354.00	25213.00	16365.00	19571.00	28350.00	23299.00	21295.00	22605.00	20094.00	20847.00	27661.00	27042.00
C13 H17 O4 Esi-13.755003	1.00	1.00	19157.00	13510.00	24568.00	21552.00	22874.00	29652.00	16155.00	20626.00	1.00	1.00	24730.00	11022.00	1.00	1.00	1.00	1.00	26613.00	17661.00	31352.00	1.00	1.00	1.00	1.00	1.00	23523.00	16990.00	29099.00	31137.00	12779.00	30637.00	26708.00	1.00	1.00	20509.00	1.00	1.00	25809.00	14371.00	12503.00	1.00	22487.00	1.00	1.00	1.00	1.00	1.00	11239.00	13198.00	15387.00	1.00	27721.00	12907.00
C28 H39 N10 O4	22079.00	23329.00	1.00	1.00	25285.00	13733.00	22411.00	16863.00	1.00	16609.00	28687.00	29924.00	19995.00	18557.00	35867.00	33876.00	1.00	1.00	24766.00	14240.00	24280.00	25110.00	24672.00	26989.00	26702.00	29048.00	15189.00	21614.00	24289.00	16756.00	20390.00	23745.00	12666.00	1.00	13301.00	13454.00	19064.00	31229.00	21680.00	14878.00	17734.00	19365.00	18135.00	19149.00	39478.00	40922.00	18285.00	17605.00	18115.00	20630.00	32385.00	31627.00	24694.00	20442.00
C33 H55 N3 O10	1.00	1.00	11073.00	7631.00	11984.00	8273.00	9166.00	30082.00	8454.00	12664.00	1.00	3834.00	14126.00	7699.00	1.00	3393.00	13317.00	10702.00	11990.00	5389.00	24226.00	4368.00	1.00	3294.00	10269.00	8804.00	23798.00	10192.00	32740.00	30780.00	9971.00	20248.00	14136.00	5191.00	6068.00	12187.00	1.00	3199.00	14229.00	7583.00	8030.00	1.00	13962.00	5018.00	1.00	1.00	3311.00	1.00	4419.00	3246.00	12223.00	8114.00	20305.00	5346.00
(S)-2-Ethyl-3-hydroxypropionic acid	13139.00	14716.00	18514.00	17994.00	29831.00	31764.00	17799.00	18741.00	38280.00	40785.00	17158.00	14934.00	13430.00	9763.00	22339.00	22802.00	20553.00	20824.00	31952.00	30940.00	18829.00	16672.00	23039.00	22507.00	13729.00	14458.00	22199.00	18890.00	18633.00	21110.00	14301.00	15840.00	19740.00	19557.00	39098.00	39778.00	13493.00	12862.00	19466.00	18724.00	16566.00	15034.00	13950.00	12674.00	14136.00	13352.00	22900.00	19455.00	23043.00	23380.00	37281.00	35984.00	18256.00	17188.00
C3 H2 N3 O S3 Esi-1.0540006	66360.00	53731.00	35151.00	67860.00	52697.00	113771.00	87971.00	528085.00	55027.00	77797.00	216853.00	54004.00	128150.00	60827.00	279118.00	70758.00	154286.00	131325.00	69946.00	78316.00	72415.00	75251.00	212076.00	120336.00	117148.00	106604.00	116991.00	73214.00	104084.00	190035.00	51370.00	112270.00	108463.00	64457.00	52909.00	66508.00	80576.00	76882.00	134090.00	107928.00	83977.00	99234.00	193222.00	84970.00	264364.00	60680.00	49284.00	102202.00	75860.00	103950.00	98790.00	56535.00	84633.00	78697.00
5,7,3',4',5'-Pentahydroxyflavanone	21267.00	18319.00	19119.00	19423.00	17901.00	20428.00	14111.00	15423.00	22840.00	19684.00	21028.00	20655.00	20641.00	21998.00	12294.00	12523.00	17979.00	22133.00	14436.00	14180.00	17979.00	18012.00	12896.00	13209.00	23686.00	22758.00	20475.00	19612.00	25188.00	24116.00	19459.00	20696.00	24813.00	26228.00	19855.00	21005.00	26253.00	27124.00	17355.00	18510.00	24621.00	24718.00	20554.00	19270.00	28296.00	30392.00	20090.00	19243.00	22932.00	21973.00	18779.00	19895.00	20776.00	21479.00
C45 H93 S	24690.00	26548.00	19362.00	19739.00	19504.00	20356.00	21471.00	22268.00	22637.00	20575.00	25936.00	25147.00	22161.00	20291.00	27242.00	26932.00	26250.00	25846.00	20798.00	21132.00	22703.00	21672.00	26164.00	26226.00	26241.00	26488.00	20381.00	21325.00	18299.00	20755.00	21104.00	22307.00	20874.00	23228.00	22743.00	23231.00	26570.00	27968.00	22825.00	20175.00	23682.00	22955.00	22038.00	19526.00	26227.00	26903.00	20374.00	20198.00	23371.00	21741.00	26907.00	28090.00	21087.00	19454.00
C43 H89 N7 S	24807.00	23700.00	14811.00	13622.00	16588.00	16374.00	16361.00	17348.00	15760.00	15200.00	18932.00	23137.00	18551.00	18500.00	22247.00	22328.00	21627.00	25741.00	16238.00	16622.00	17285.00	18380.00	23667.00	25773.00	24075.00	23558.00	17209.00	17548.00	15801.00	17998.00	18450.00	17484.00	18282.00	17945.00	19369.00	19318.00	21725.00	22132.00	16037.00	16705.00	16347.00	18391.00	15990.00	17569.00	24426.00	22026.00	17620.00	16363.00	19019.00	18986.00	22935.00	23775.00	15305.00	16461.00
C32 H51 N16 O3	1.00	1.00	21241.00	1.00	34570.00	13511.00	48181.00	186474.00	48755.00	51162.00	1.00	1.00	15234.00	25527.00	1.00	1.00	12974.00	1.00	49360.00	24668.00	58792.00	1.00	1.00	1.00	18424.00	1.00	85758.00	19705.00	107362.00	109915.00	14918.00	45306.00	53817.00	13107.00	1.00	28877.00	1.00	1.00	38701.00	20847.00	30749.00	1.00	41437.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13057.00	1.00	66128.00	40873.00
Tephcalostan C Esi-6.351998	16968.00	17757.00	28945.00	33615.00	30567.00	32094.00	27323.00	26845.00	27842.00	26949.00	18274.00	15893.00	17932.00	20254.00	39406.00	37524.00	29594.00	28016.00	31614.00	28243.00	41788.00	41652.00	43002.00	43443.00	19905.00	19680.00	24728.00	24401.00	52729.00	53370.00	51276.00	49419.00	54492.00	51961.00	20928.00	20037.00	53505.00	55154.00	40510.00	43532.00	23605.00	21969.00	33671.00	32091.00	36999.00	40037.00	39850.00	37359.00	35949.00	35737.00	39711.00	40704.00	35420.00	36989.00
Terbufos	31944.00	32402.00	1.00	1.00	1.00	1.00	1.00	1.00	13583.00	13065.00	23758.00	23140.00	11265.00	9477.00	27988.00	25895.00	25076.00	23891.00	1.00	1.00	1.00	1.00	32521.00	33924.00	27113.00	26449.00	8779.00	9149.00	1.00	1.00	9629.00	9465.00	1.00	1.00	10987.00	10845.00	24242.00	24031.00	10089.00	9342.00	9558.00	12442.00	9852.00	9404.00	26831.00	26482.00	11087.00	11254.00	15076.00	13711.00	24647.00	26550.00	9556.00	9932.00
C29 H49 N9 O24	1.00	1.00	14415.00	14021.00	18685.00	13276.00	19576.00	34713.00	13407.00	16551.00	1.00	1.00	16106.00	12947.00	1.00	1.00	1.00	1.00	21406.00	13326.00	25774.00	1.00	1.00	1.00	1.00	1.00	23754.00	14363.00	34246.00	35077.00	1.00	17668.00	19020.00	1.00	1.00	13006.00	1.00	1.00	17375.00	1.00	14895.00	1.00	14186.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	26509.00	1.00
3,3',5'-Triiodothyropropionic acid	27165.00	27944.00	15641.00	15350.00	18790.00	16461.00	17834.00	17802.00	19808.00	18311.00	24891.00	26386.00	20179.00	20619.00	26310.00	25655.00	26426.00	26727.00	17269.00	18708.00	19237.00	19430.00	25933.00	26487.00	24713.00	25944.00	17689.00	16666.00	16031.00	16780.00	16180.00	17403.00	17453.00	17609.00	21244.00	20968.00	22797.00	23626.00	17390.00	17867.00	19845.00	18294.00	16902.00	16024.00	23894.00	24561.00	20031.00	19423.00	18464.00	19716.00	25175.00	25063.00	16208.00	17430.00
Gly Phe Arg	14555.00	17164.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12234.00	1.00	1.00	1.00	18495.00	17963.00	13120.00	14027.00	1.00	1.00	14535.00	1.00	17391.00	16706.00	21714.00	21757.00	16320.00	11886.00	23364.00	18988.00	16023.00	16276.00	1.00	1.00	1.00	1.00	14039.00	15743.00	29233.00	26616.00	28074.00	25984.00	28740.00	25869.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	21133.00	14833.00
C4 H2 N S	32146.00	29796.00	1.00	1.00	1.00	1.00	1.00	1.00	12345.00	12467.00	23198.00	29166.00	11972.00	12390.00	27817.00	32766.00	24710.00	28214.00	1.00	10000.00	23285.00	11209.00	31764.00	28122.00	28189.00	29980.00	10684.00	11731.00	10098.00	10964.00	14574.00	14747.00	1.00	10538.00	12963.00	12398.00	23091.00	27341.00	12651.00	12345.00	13624.00	1.00	13504.00	16351.00	27071.00	31947.00	15546.00	15754.00	15923.00	15566.00	28335.00	30318.00	11206.00	9622.00
C29 H47 N3 O9	15296.00	16407.00	1.00	1.00	20812.00	22083.00	19237.00	20613.00	1.00	1.00	18997.00	19931.00	1.00	1.00	21013.00	23187.00	1.00	1.00	20928.00	20334.00	17523.00	17748.00	19337.00	21160.00	16948.00	16203.00	13238.00	13414.00	1.00	13248.00	1.00	1.00	15468.00	16667.00	14108.00	17908.00	18348.00	21079.00	14309.00	1.00	1.00	1.00	1.00	1.00	31299.00	32495.00	15248.00	15105.00	18788.00	19039.00	22134.00	23252.00	17011.00	14482.00
C35 H73 N4 O2	16197.00	17502.00	27012.00	28458.00	26253.00	27239.00	28976.00	29829.00	24679.00	24196.00	22392.00	20228.00	27957.00	25741.00	21667.00	23934.00	22610.00	21658.00	25862.00	28570.00	26413.00	27150.00	19952.00	18112.00	22210.00	20809.00	25805.00	26402.00	26654.00	26363.00	29517.00	29505.00	27226.00	28389.00	25664.00	30222.00	22229.00	24311.00	28766.00	30590.00	25308.00	26741.00	29064.00	28235.00	22336.00	21248.00	25765.00	29815.00	28526.00	28695.00	25850.00	23501.00	28327.00	28299.00
11(S)-HEPE	16178.00	15396.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	18786.00	17870.00	13649.00	24203.00	1.00	1.00	13181.00	1.00	28460.00	17014.00	29186.00	15787.00	14939.00	10710.00	40737.00	47099.00	1.00	31116.00	1.00	1.00	1.00	1.00	11393.00	10475.00	20849.00	16649.00	39487.00	16156.00	22290.00	18915.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	16526.00	11058.00
C3 H2 N3 O S3 Esi-0.8400001	230771.00	185675.00	146685.00	170690.00	171277.00	166529.00	154719.00	162163.00	142202.00	150470.00	163200.00	164844.00	169191.00	171926.00	159298.00	162580.00	211870.00	169790.00	187918.00	177125.00	147198.00	164677.00	163680.00	223219.00	152909.00	198081.00	142107.00	167907.00	137378.00	154141.00	139650.00	154021.00	193286.00	157238.00	152047.00	174207.00	195075.00	195808.00	147045.00	142575.00	140406.00	153966.00	128368.00	131795.00	204605.00	162687.00	164714.00	141180.00	152270.00	180067.00	202404.00	177430.00	146480.00	174515.00
N-stearoyl serine	1.00	1.00	21982.00	20435.00	26534.00	22893.00	24346.00	27025.00	23655.00	24415.00	15403.00	13418.00	22761.00	18748.00	13629.00	14894.00	18246.00	17545.00	27881.00	20997.00	28358.00	19473.00	18629.00	14693.00	20854.00	18747.00	33984.00	24215.00	25914.00	28045.00	24537.00	33012.00	28796.00	18832.00	17822.00	26564.00	15400.00	16408.00	28491.00	21881.00	24026.00	18231.00	25001.00	18497.00	14478.00	1.00	15447.00	16123.00	20055.00	16873.00	21283.00	18484.00	35367.00	27686.00
C59 H92 N S2	15925.00	25804.00	19749.00	24712.00	24416.00	25074.00	23078.00	33869.00	26424.00	18532.00	23734.00	19389.00	21013.00	23450.00	22151.00	14806.00	26732.00	25000.00	22218.00	27722.00	26189.00	25175.00	23564.00	19629.00	28443.00	21265.00	28040.00	22971.00	28191.00	38041.00	20442.00	24758.00	19623.00	15947.00	15781.00	31062.00	18782.00	20650.00	28957.00	32724.00	26737.00	20078.00	26712.00	19934.00	18851.00	18639.00	18455.00	21343.00	19117.00	16319.00	26469.00	20421.00	29036.00	20314.00
C11 H21 N O7	16818.00	17630.00	10140.00	9453.00	16502.00	15186.00	15569.00	18525.00	22956.00	23281.00	13702.00	12751.00	9977.00	9943.00	1.00	1.00	22327.00	20889.00	1.00	1.00	19494.00	18157.00	23281.00	24865.00	15239.00	15619.00	11248.00	12059.00	23818.00	28844.00	1.00	1.00	1.00	1.00	13704.00	14380.00	18506.00	17888.00	22656.00	21586.00	1.00	9716.00	12222.00	12572.00	1.00	1.00	14697.00	13763.00	14089.00	13068.00	22184.00	21162.00	13958.00	12110.00
C5 H4 O7	20668.00	16698.00	16746.00	14939.00	23085.00	23590.00	26102.00	26191.00	21307.00	21614.00	20669.00	18473.00	14395.00	14210.00	30063.00	27970.00	19531.00	19294.00	21831.00	25007.00	19494.00	18374.00	22819.00	20981.00	18338.00	17492.00	28885.00	30046.00	27000.00	27773.00	19478.00	15783.00	29846.00	29446.00	18053.00	18524.00	19928.00	17636.00	17250.00	16695.00	20020.00	18513.00	18839.00	18182.00	17862.00	22229.00	27282.00	26479.00	17493.00	19653.00	21483.00	21565.00	20512.00	18718.00
2,2',4,4'-Tetrabromodiphenyl ether	18453.00	19261.00	18509.00	18233.00	20302.00	18244.00	18414.00	20584.00	19133.00	17343.00	20080.00	19957.00	19505.00	19703.00	21157.00	19511.00	18005.00	18949.00	18845.00	18494.00	17064.00	18737.00	20883.00	23019.00	18538.00	22564.00	18540.00	17632.00	18851.00	17596.00	19817.00	18011.00	20730.00	17823.00	21656.00	21196.00	19416.00	24489.00	19154.00	19566.00	17734.00	20035.00	20651.00	19688.00	20185.00	22003.00	19583.00	22083.00	20511.00	18131.00	21923.00	21457.00	18627.00	18349.00
C31 H45 N26 O2	15052.00	15522.00	29907.00	31669.00	28794.00	32348.00	30302.00	30672.00	23251.00	26063.00	20631.00	19949.00	27077.00	28005.00	20342.00	23152.00	19998.00	19721.00	31966.00	30670.00	27059.00	28802.00	18085.00	19166.00	20551.00	21074.00	29366.00	30164.00	30818.00	26638.00	30495.00	28438.00	28273.00	28596.00	26222.00	29090.00	22980.00	20780.00	31794.00	34765.00	31939.00	29740.00	33847.00	33184.00	20382.00	23006.00	31919.00	31102.00	28192.00	27766.00	23053.00	23848.00	31240.00	29729.00
C20 H2 N2 O18 S Esi-0.8400001	30245.00	29579.00	15141.00	15202.00	15579.00	16757.00	15501.00	18705.00	17762.00	17217.00	26302.00	23971.00	17183.00	17370.00	25837.00	26623.00	25220.00	26215.00	17955.00	18845.00	19883.00	18631.00	29054.00	30875.00	26095.00	27715.00	16523.00	16072.00	14836.00	14357.00	17570.00	16103.00	19515.00	17991.00	20284.00	18583.00	26092.00	26182.00	16629.00	16410.00	19822.00	20915.00	17807.00	15503.00	25699.00	26586.00	17197.00	19494.00	19182.00	18207.00	26549.00	25158.00	16993.00	14783.00
2-Hydroxyhepta-2,4-dienedioate	67433.00	58085.00	1.00	1.00	14655.00	1.00	67894.00	1.00	19126.00	68918.00	74660.00	16640.00	1.00	51653.00	75699.00	77738.00	72671.00	66704.00	91325.00	1.00	1.00	76061.00	68879.00	75012.00	67641.00	1.00	75569.00	83656.00	1.00	72871.00	1.00	61419.00	72110.00	78674.00	60058.00	73651.00	63615.00	69596.00	82376.00	80369.00	104852.00	100669.00	80898.00	72320.00	66478.00	70576.00	81862.00	89603.00	74946.00	1.00	1.00	90061.00	88772.00	89015.00
?-9(10)-EpODE Esi-11.437006 :3	1585161.00	1589218.00	491828.00	452819.00	270770.00	239259.00	368372.00	568284.00	899537.00	917121.00	1128462.00	1094090.00	526443.00	479143.00	29018.00	1846163.00	1663369.00	1628978.00	979679.00	846189.00	1637373.00	1088308.00	25331.00	24916.00	2370363.00	2246543.00	1611069.00	1205551.00	2664849.00	2834893.00	1434012.00	1675700.00	397146.00	324930.00	511150.00	517590.00	1494534.00	1511708.00	3140466.00	2928459.00	2656155.00	2305304.00	3313432.00	2717114.00	835277.00	813959.00	445989.00	452711.00	637759.00	589496.00	1153415.00	1070090.00	2623410.00	1725062.00
Indoxylsulfuric acid Esi-4.0140033	5357.00	5689.00	7060.00	6281.00	21250.00	20623.00	17829.00	16123.00	9969.00	7981.00	8074.00	8126.00	5971.00	4972.00	8406.00	8887.00	5236.00	5155.00	27423.00	27446.00	9842.00	10348.00	3559.00	3349.00	4745.00	3344.00	10819.00	12238.00	6314.00	6350.00	5580.00	5863.00	15547.00	15238.00	6555.00	7028.00	1.00	1.00	4011.00	5362.00	7885.00	9212.00	6252.00	7843.00	9357.00	9451.00	20781.00	18815.00	17096.00	16527.00	3901.00	3007.00	3807.00	3540.00
BIX01294 Esi-5.4909983	37777.00	28391.00	45748.00	32077.00	32912.00	36202.00	36309.00	35631.00	36185.00	30622.00	38412.00	32067.00	29061.00	39738.00	29720.00	31577.00	33955.00	32406.00	37898.00	43228.00	32975.00	36277.00	29574.00	36561.00	28493.00	31677.00	32233.00	33527.00	39583.00	34288.00	41566.00	35998.00	32970.00	37344.00	30544.00	44338.00	32488.00	48820.00	24825.00	41820.00	34831.00	46528.00	47623.00	37821.00	34360.00	31620.00	35174.00	37310.00	36543.00	45818.00	27782.00	34642.00	35501.00	42817.00
C37 H81 N11 O3	22908.00	24814.00	14283.00	14262.00	17159.00	16459.00	17359.00	16948.00	15273.00	17749.00	23337.00	24366.00	17595.00	16142.00	23102.00	23663.00	23648.00	27507.00	18249.00	16443.00	17494.00	17642.00	24246.00	23245.00	24450.00	25144.00	17447.00	16660.00	17082.00	16116.00	16803.00	18660.00	17004.00	18271.00	20578.00	19852.00	23782.00	23660.00	19277.00	18589.00	18412.00	19381.00	16769.00	17410.00	23557.00	23211.00	18217.00	18985.00	20473.00	19263.00	22146.00	25157.00	17357.00	15225.00
C11 H16 Cl O S	25141.00	24203.00	1.00	11572.00	10332.00	12792.00	18640.00	24610.00	32389.00	31652.00	36136.00	35624.00	31613.00	24016.00	17678.00	20189.00	33228.00	36289.00	25193.00	22484.00	26185.00	26753.00	20562.00	20218.00	39182.00	36901.00	19345.00	26616.00	17724.00	23154.00	21881.00	26962.00	21861.00	23708.00	29519.00	30225.00	35198.00	33793.00	28459.00	28595.00	26694.00	25634.00	28716.00	20524.00	34719.00	32584.00	33631.00	28770.00	35860.00	35919.00	41317.00	40168.00	26016.00	27175.00
C31 H47 O10	15078.00	14262.00	1.00	1.00	17338.00	20208.00	16936.00	20903.00	11426.00	12004.00	19807.00	21574.00	11319.00	13477.00	23353.00	24765.00	10232.00	10391.00	19444.00	20824.00	17341.00	16072.00	16599.00	18299.00	15834.00	18107.00	15319.00	14916.00	18974.00	20627.00	14837.00	16234.00	15256.00	13506.00	12419.00	15310.00	17604.00	20087.00	15884.00	15501.00	13873.00	13328.00	12163.00	12268.00	29118.00	28261.00	12848.00	12745.00	12262.00	12888.00	20596.00	21825.00	18130.00	15321.00
C29 H45 N25 O3	19215.00	12447.00	32368.00	32757.00	34364.00	30656.00	34280.00	36985.00	28430.00	24369.00	19450.00	20077.00	30547.00	29831.00	23445.00	20787.00	18677.00	24043.00	29598.00	34151.00	27021.00	27134.00	17839.00	20483.00	21686.00	20696.00	30977.00	29238.00	32478.00	32673.00	37292.00	32344.00	29688.00	30412.00	28527.00	30938.00	20863.00	20791.00	30647.00	33021.00	29569.00	32781.00	33559.00	29561.00	20074.00	25331.00	31644.00	32545.00	29129.00	28415.00	24141.00	25695.00	33449.00	30834.00
C32 H69 N5 O14	12857.00	13897.00	26988.00	26385.00	25600.00	26686.00	26811.00	26509.00	19733.00	19634.00	19504.00	18163.00	25067.00	25492.00	17624.00	17225.00	18266.00	17888.00	25521.00	25495.00	23901.00	25162.00	17206.00	18048.00	18222.00	17287.00	24496.00	27425.00	27521.00	26327.00	26703.00	26180.00	26012.00	26869.00	24258.00	24771.00	18962.00	18070.00	26508.00	27851.00	25062.00	25813.00	27176.00	27650.00	19907.00	18736.00	25061.00	24521.00	23609.00	23726.00	18728.00	19016.00	27746.00	27122.00
Dimethoxane	32597.00	31926.00	32986.00	28940.00	31854.00	33729.00	33449.00	31803.00	33248.00	32413.00	31681.00	31881.00	31622.00	37334.00	35334.00	33294.00	32497.00	34695.00	33091.00	30897.00	32109.00	32281.00	29872.00	31475.00	33831.00	25550.00	28535.00	29552.00	31363.00	34002.00	27601.00	26958.00	31844.00	24475.00	25803.00	31746.00	25259.00	27227.00	27917.00	29333.00	33200.00	33112.00	27744.00	24785.00	33357.00	31373.00	24219.00	32708.00	32710.00	33312.00	26417.00	26585.00	31926.00	35426.00
C27 H20 N15 O16 Esi-11.457	37957.00	41143.00	1.00	1.00	1.00	1.00	1.00	1.00	22046.00	21664.00	32332.00	31210.00	1.00	1.00	43341.00	41033.00	38133.00	36941.00	23575.00	23686.00	34746.00	29102.00	41362.00	40170.00	45243.00	48075.00	33152.00	29626.00	36921.00	35199.00	34441.00	33080.00	1.00	1.00	1.00	1.00	38583.00	38538.00	52436.00	50408.00	49872.00	47639.00	54544.00	54050.00	25613.00	26135.00	1.00	1.00	1.00	1.00	31703.00	29793.00	41342.00	37182.00
C17 H6 O2	126480.00	126165.00	89324.00	84782.00	104257.00	100761.00	142825.00	138802.00	163854.00	164896.00	145535.00	141800.00	129389.00	127077.00	100986.00	102353.00	141078.00	141137.00	124870.00	127494.00	151088.00	148213.00	112339.00	110735.00	149105.00	145394.00	144393.00	148148.00	124780.00	121617.00	139203.00	140899.00	118625.00	115724.00	139607.00	146480.00	137130.00	143543.00	143129.00	143982.00	143489.00	138978.00	136111.00	128930.00	122809.00	127954.00	161590.00	160983.00	161957.00	162427.00	156953.00	160693.00	140510.00	148496.00
Hexadecanedioic acid Esi-10.932005	49486.00	53828.00	1.00	1.00	1.00	1.00	1.00	1.00	26077.00	27946.00	28643.00	20959.00	1.00	1.00	40370.00	41108.00	39619.00	38997.00	1.00	1.00	32706.00	25743.00	41198.00	45619.00	83230.00	87598.00	42377.00	39417.00	42294.00	46330.00	37529.00	41422.00	1.00	1.00	1.00	1.00	48790.00	49301.00	53791.00	50116.00	66652.00	69548.00	92159.00	82806.00	46480.00	45101.00	1.00	1.00	36232.00	37757.00	51835.00	49491.00	78918.00	68424.00
Butopyronoxyl Esi-7.529002	1.00	1.00	29275.00	35242.00	34263.00	46325.00	19706.00	24831.00	30735.00	1.00	1.00	47061.00	47858.00	27862.00	24632.00	29645.00	1.00	52426.00	31978.00	33693.00	36645.00	43140.00	1.00	1.00	1.00	33406.00	1.00	85110.00	44362.00	1.00	1.00	57791.00	50378.00	95203.00	26777.00	42920.00	1.00	1.00	23339.00	1.00	51202.00	44028.00	40176.00	44004.00	36773.00	37943.00	28409.00	33929.00	31088.00	20483.00	1.00	1.00	70351.00	1.00
C8 H19 N O9 S	17571.00	19398.00	18756.00	18038.00	12332.00	11449.00	12004.00	13686.00	22218.00	19532.00	15067.00	12728.00	14792.00	14369.00	16679.00	16754.00	13547.00	15775.00	19911.00	20368.00	25765.00	20936.00	26975.00	26521.00	20295.00	17700.00	17949.00	17677.00	22606.00	22155.00	24834.00	25994.00	19191.00	20300.00	14532.00	15332.00	24135.00	26794.00	22725.00	21587.00	17115.00	15770.00	17435.00	17660.00	19052.00	18996.00	28883.00	29115.00	18959.00	18242.00	17581.00	19005.00	20600.00	19313.00
2-Naphthalenepropanol, 6-methoxy-a-methyl-, hydrogen sulfate	20537.00	22804.00	16819.00	16685.00	18604.00	20511.00	17564.00	18453.00	21909.00	24049.00	24800.00	24707.00	20768.00	21947.00	16253.00	13281.00	17361.00	16714.00	15536.00	17090.00	20826.00	20258.00	17064.00	15886.00	27445.00	27424.00	22080.00	22912.00	21331.00	20422.00	23874.00	21704.00	26465.00	25210.00	22010.00	24696.00	27461.00	27229.00	23257.00	22026.00	27421.00	28275.00	21730.00	21166.00	27408.00	28319.00	24894.00	22739.00	23470.00	23365.00	25046.00	23651.00	22698.00	22529.00
C34 H44 N5 O3	1.00	1.00	33725.00	1.00	34292.00	15981.00	17767.00	1.00	27932.00	92763.00	1.00	1.00	13147.00	93528.00	1.00	1.00	1.00	1.00	18972.00	21711.00	1.00	1.00	1.00	1.00	1.00	1.00	22882.00	21762.00	18675.00	1.00	95559.00	20039.00	1.00	1.00	1.00	13117.00	1.00	1.00	15626.00	18779.00	1.00	1.00	15060.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14180.00	1.00	30828.00	1.00
2-Iodophenol Esi-13.188811	53344.00	1.00	1.00	1.00	93283.00	31220.00	1.00	1.00	1.00	46556.00	96143.00	128283.00	1.00	154018.00	76247.00	24550.00	42079.00	1.00	45616.00	21497.00	1.00	55156.00	82610.00	174213.00	161567.00	164491.00	42168.00	57346.00	53413.00	33605.00	105467.00	154003.00	64077.00	50375.00	15911.00	39098.00	1.00	67646.00	15673.00	54507.00	42727.00	30339.00	56042.00	172133.00	100785.00	185361.00	123750.00	49178.00	55136.00	46017.00	178738.00	61598.00	1.00	1.00
PS(20:4(5Z,8Z,11Z,14Z)/0:0)	1.00	1.00	22468.00	21347.00	1.00	1.00	13614.00	1.00	1.00	1.00	1.00	1.00	1.00	13789.00	1.00	1.00	1.00	1.00	1.00	1.00	32634.00	36098.00	1.00	1.00	20307.00	21537.00	28832.00	26147.00	21921.00	19844.00	22237.00	19081.00	1.00	1.00	1.00	1.00	1.00	1.00	21867.00	20559.00	28803.00	32147.00	27777.00	24818.00	1.00	1.00	18520.00	17766.00	1.00	1.00	1.00	1.00	19635.00	19931.00
C36 H71 N17 O4	26410.00	30211.00	19999.00	16530.00	19655.00	20050.00	21936.00	20838.00	22009.00	22505.00	26149.00	29047.00	22550.00	22935.00	30654.00	26799.00	29025.00	28726.00	21112.00	20916.00	21976.00	20145.00	29649.00	28297.00	28846.00	29809.00	20322.00	21409.00	19501.00	18737.00	20551.00	19157.00	23257.00	23052.00	23526.00	26708.00	31467.00	28215.00	19195.00	22285.00	22181.00	21126.00	21931.00	20977.00	28415.00	26034.00	23287.00	23780.00	23467.00	23420.00	29004.00	28765.00	19579.00	20221.00
C27 H42 N6 O2	221964.00	41054.00	97301.00	1.00	130700.00	131942.00	120294.00	1.00	131176.00	106003.00	191059.00	158379.00	134779.00	117391.00	260595.00	1.00	1.00	1.00	113388.00	137030.00	1.00	1.00	1.00	1.00	1.00	1.00	407427.00	46222.00	6694.00	70089.00	1.00	54564.00	36920.00	134723.00	1.00	160680.00	132597.00	86309.00	91831.00	110331.00	1.00	1.00	1.00	123866.00	49802.00	177639.00	54929.00	1.00	1.00	316475.00	1.00	97873.00	1.00	1.00
C14 H6 N2 O16 S2 Esi-0.8390004	68940.00	68719.00	32083.00	34257.00	38587.00	41127.00	39663.00	40127.00	40361.00	41479.00	59794.00	58965.00	41926.00	44425.00	62683.00	63168.00	59016.00	60672.00	38271.00	39317.00	42148.00	39989.00	62906.00	66123.00	61449.00	63833.00	39615.00	38499.00	36529.00	34243.00	39943.00	43120.00	39893.00	41216.00	45278.00	44551.00	60192.00	55986.00	36129.00	43710.00	42578.00	44991.00	38621.00	36273.00	56537.00	60212.00	41256.00	42695.00	45744.00	46448.00	64423.00	56986.00	38284.00	41268.00
Methyl oxalate	1.00	19486.00	31078.00	30850.00	29918.00	33027.00	37784.00	32990.00	29727.00	28649.00	22243.00	21813.00	24780.00	24154.00	21217.00	1.00	1.00	1.00	44014.00	38188.00	47037.00	40068.00	26044.00	30087.00	40404.00	41941.00	42397.00	45232.00	28925.00	25296.00	30213.00	32005.00	24098.00	27249.00	30146.00	31317.00	1.00	1.00	39684.00	40810.00	32684.00	32327.00	28367.00	30530.00	21941.00	1.00	33272.00	33053.00	38118.00	37245.00	24848.00	28055.00	41769.00	47835.00
?-9(10)-EpODE Esi-11.619 :3	286166.00	285395.00	139582.00	124926.00	111312.00	79828.00	121736.00	150655.00	199184.00	219365.00	154859.00	203986.00	168043.00	156104.00	351280.00	320349.00	318126.00	298852.00	314982.00	212038.00	431163.00	255600.00	260330.00	264370.00	416042.00	386502.00	407192.00	245500.00	595683.00	522776.00	380900.00	487216.00	109632.00	95911.00	149654.00	185850.00	279047.00	295494.00	671445.00	590917.00	493140.00	399068.00	650968.00	486107.00	187134.00	189834.00	111754.00	110082.00	185704.00	182051.00	286198.00	261378.00	671402.00	424044.00
C8 H3 Cl3 N3 O S	84017.00	86780.00	1.00	1.00	1.00	1.00	10361.00	11092.00	30434.00	29185.00	71244.00	71707.00	21486.00	20559.00	72850.00	71734.00	68843.00	66579.00	13395.00	13630.00	15621.00	17136.00	82818.00	72199.00	72688.00	70349.00	11721.00	12323.00	17325.00	16047.00	20467.00	21126.00	1.00	1.00	24019.00	26669.00	60045.00	57595.00	17449.00	18522.00	21507.00	20425.00	18248.00	18128.00	70287.00	62522.00	22449.00	22275.00	20579.00	18991.00	58156.00	63301.00	16957.00	16401.00
C14 H12 O5	117789.00	117164.00	29043.00	27004.00	33737.00	33948.00	43058.00	43958.00	52119.00	58274.00	94712.00	97632.00	59666.00	58409.00	108724.00	106523.00	103237.00	102790.00	32935.00	33192.00	42607.00	43204.00	123305.00	127595.00	100410.00	104369.00	44543.00	48138.00	46941.00	44313.00	46648.00	46677.00	34277.00	32155.00	49770.00	52402.00	89998.00	96309.00	53034.00	47118.00	48689.00	52322.00	49391.00	50277.00	103527.00	90834.00	46641.00	49941.00	54080.00	57383.00	99030.00	106227.00	42234.00	43231.00
C43 H77 N6 O11 Esi-12.743005 :1	1.00	1.00	95835.00	60219.00	261035.00	173378.00	155812.00	506346.00	73628.00	112007.00	1.00	1.00	179758.00	79501.00	1.00	1.00	29562.00	1.00	249635.00	135057.00	169544.00	36759.00	1.00	1.00	37686.00	1.00	177331.00	63082.00	283841.00	314938.00	74761.00	197060.00	237526.00	80321.00	60759.00	142767.00	1.00	1.00	153431.00	85595.00	63633.00	1.00	80326.00	1.00	1.00	1.00	31634.00	31555.00	86207.00	65015.00	49049.00	29587.00	328835.00	95138.00
C6 H16 N3 O S3	22540.00	23346.00	28541.00	26369.00	26956.00	25479.00	24944.00	26996.00	21409.00	23010.00	19073.00	17636.00	17239.00	17568.00	21855.00	21219.00	16801.00	18032.00	22426.00	21742.00	28325.00	29061.00	17396.00	17122.00	19996.00	18291.00	19961.00	20420.00	22172.00	21608.00	23976.00	25412.00	23560.00	24999.00	20734.00	25120.00	21418.00	18799.00	20868.00	17438.00	27956.00	25930.00	23304.00	24839.00	20519.00	20240.00	17722.00	19610.00	23463.00	20866.00	20250.00	22656.00	25113.00	26544.00
Hexadecanedioic acid Esi-10.932005 :1	49486.00	53949.00	1.00	1.00	1.00	1.00	1.00	1.00	26077.00	27946.00	28643.00	9510.00	1.00	1.00	40370.00	41108.00	39619.00	38997.00	1.00	1.00	32706.00	25743.00	41198.00	45619.00	83230.00	87598.00	42377.00	39417.00	42294.00	46330.00	37529.00	41422.00	1.00	1.00	1.00	1.00	48790.00	49301.00	53791.00	50116.00	66652.00	69548.00	92159.00	82806.00	46480.00	45101.00	1.00	1.00	36232.00	37757.00	51835.00	49491.00	78918.00	68424.00
C10 H2 N2 O13 S	23022.00	27516.00	19881.00	18896.00	21299.00	21325.00	21820.00	22504.00	19828.00	20947.00	23836.00	24675.00	21858.00	20403.00	24394.00	24970.00	23621.00	25852.00	21160.00	21463.00	19748.00	20890.00	28284.00	28447.00	24720.00	25825.00	19216.00	21136.00	20328.00	22327.00	20852.00	21268.00	22863.00	20813.00	22553.00	22122.00	25596.00	25686.00	21290.00	20783.00	21138.00	23052.00	20110.00	21156.00	25624.00	24025.00	23070.00	21130.00	21848.00	21891.00	25019.00	27737.00	19338.00	21178.00
C46 H81 N2 O	29168.00	29580.00	24744.00	23679.00	25191.00	24621.00	26677.00	26239.00	26755.00	24764.00	32368.00	30836.00	28780.00	26839.00	32776.00	32017.00	31144.00	32127.00	26774.00	29139.00	27273.00	27914.00	31769.00	31452.00	32637.00	31880.00	27612.00	26027.00	26913.00	21835.00	28015.00	28301.00	28229.00	30269.00	27236.00	31694.00	32894.00	33655.00	28066.00	24639.00	29902.00	27585.00	26982.00	25493.00	32005.00	31989.00	26867.00	30409.00	28558.00	27557.00	33676.00	33643.00	27831.00	24985.00
Diisobutyl phthalate	26950.00	25712.00	28162.00	29803.00	27776.00	28217.00	27317.00	25945.00	28034.00	27414.00	28507.00	25659.00	25982.00	25077.00	27335.00	25261.00	27209.00	22806.00	25252.00	23559.00	24223.00	22767.00	24653.00	24464.00	26225.00	22787.00	23873.00	25526.00	26553.00	27126.00	23242.00	24009.00	27368.00	21853.00	21333.00	22355.00	22466.00	21820.00	24621.00	26204.00	25163.00	22803.00	22730.00	26105.00	23382.00	24680.00	24835.00	25739.00	24846.00	23256.00	23599.00	21948.00	26875.00	24484.00
C24 H35 N14 S	1.00	1.00	10371.00	1.00	12003.00	1.00	12343.00	13784.00	1.00	1.00	1.00	1.00	11750.00	1.00	1.00	1.00	1.00	1.00	14071.00	9384.00	11649.00	1.00	1.00	1.00	1.00	1.00	14938.00	9714.00	12871.00	1.00	1.00	9872.00	12731.00	1.00	1.00	9695.00	1.00	1.00	14831.00	9218.00	10709.00	1.00	12407.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13214.00	1.00
C13 H2 N O13 S2 Esi-13.447999	41506.00	56325.00	133277.00	1.00	1.00	23358.00	24509.00	1.00	1.00	53769.00	1.00	25859.00	1.00	1.00	1.00	1.00	40360.00	14969.00	18580.00	24023.00	29450.00	1.00	1.00	1.00	24710.00	122203.00	19144.00	20696.00	17745.00	1.00	1.00	1.00	85283.00	1.00	1.00	1.00	88519.00	42262.00	23366.00	18588.00	23251.00	282286.00	20467.00	73960.00	109479.00	1.00	100125.00	18785.00	31729.00	1.00	19168.00	1.00	25907.00	1.00
2E,4E,8E,10E-Dodecatetraenedioic acid	29673.00	31522.00	24721.00	28231.00	47237.00	27432.00	27483.00	28396.00	28951.00	26176.00	28055.00	36242.00	26897.00	31271.00	37376.00	30732.00	37092.00	30978.00	24535.00	25620.00	30839.00	31148.00	30203.00	30184.00	25776.00	26376.00	30317.00	27083.00	41993.00	29541.00	29958.00	31805.00	37834.00	40831.00	35765.00	45072.00	41987.00	29630.00	22673.00	46509.00	31096.00	30883.00	28724.00	30286.00	30434.00	19944.00	33759.00	26694.00	32213.00	28627.00	41255.00	28307.00	45410.00	30265.00
C32 H51 N23 O3	18166.00	17244.00	28135.00	28822.00	29867.00	27922.00	29940.00	27802.00	23290.00	23524.00	20742.00	22227.00	25993.00	27115.00	24152.00	23388.00	23602.00	22794.00	26373.00	29336.00	25925.00	27796.00	21069.00	22943.00	23469.00	22840.00	27723.00	30460.00	27347.00	28682.00	29550.00	27802.00	28644.00	26334.00	26583.00	27667.00	22717.00	23456.00	28193.00	26754.00	28437.00	28060.00	27973.00	27647.00	22976.00	22140.00	25504.00	27752.00	25368.00	26591.00	24330.00	23544.00	26378.00	29671.00
C3 H6 N3 S Esi-1.361	103866.00	105947.00	97660.00	50187.00	109491.00	113397.00	50550.00	55183.00	92868.00	98870.00	125892.00	118985.00	98198.00	40989.00	43433.00	50188.00	55325.00	124769.00	102254.00	41804.00	118430.00	113139.00	41258.00	53403.00	49016.00	122648.00	121280.00	51315.00	39541.00	37993.00	30382.00	95092.00	51011.00	112907.00	107539.00	51674.00	99955.00	27702.00	41047.00	38291.00	41481.00	38827.00	37260.00	38735.00	52818.00	127223.00	63677.00	47944.00	121321.00	123375.00	46402.00	123514.00	114175.00	42758.00
C43 H75 N11	25677.00	22388.00	18837.00	19919.00	19705.00	22579.00	23047.00	22729.00	21555.00	21157.00	26071.00	27886.00	24079.00	22709.00	26008.00	25899.00	28884.00	30465.00	20461.00	21334.00	22252.00	21751.00	28294.00	28306.00	26625.00	28106.00	21590.00	23404.00	21316.00	20509.00	22949.00	23221.00	23512.00	26326.00	23983.00	25830.00	27278.00	24197.00	23781.00	22878.00	23995.00	25129.00	22091.00	21518.00	28331.00	27440.00	22919.00	22871.00	22986.00	27320.00	25894.00	31114.00	26068.00	23519.00
C48 H93 N	27610.00	28188.00	1.00	9441.00	1.00	1.00	10599.00	10875.00	14246.00	14374.00	24083.00	25561.00	13581.00	13590.00	30319.00	30942.00	24985.00	28431.00	1.00	11978.00	15574.00	11333.00	28904.00	29711.00	24919.00	29019.00	11668.00	14028.00	14234.00	11248.00	12337.00	12471.00	11684.00	12199.00	13986.00	15179.00	26519.00	26897.00	13623.00	11221.00	14974.00	13140.00	14818.00	14223.00	27210.00	28862.00	12966.00	13125.00	11580.00	16086.00	27299.00	25432.00	12988.00	11410.00
Triamcinolone	41461.00	40732.00	45326.00	41942.00	41137.00	42308.00	43481.00	41890.00	44022.00	43911.00	48785.00	42674.00	40600.00	41247.00	42825.00	43372.00	41215.00	43870.00	45891.00	40087.00	40311.00	42614.00	41854.00	27968.00	37338.00	41604.00	41950.00	40818.00	38568.00	39717.00	39816.00	37040.00	42559.00	40387.00	43024.00	38365.00	38612.00	42865.00	41493.00	43507.00	43512.00	41280.00	44086.00	42482.00	43054.00	42764.00	40579.00	37805.00	38709.00	38659.00	41474.00	40965.00	39668.00	40563.00
Palmitoyl glucuronide	1.00	1.00	9690.00	1.00	15531.00	12432.00	13892.00	27752.00	1.00	1.00	1.00	1.00	11139.00	10090.00	1.00	1.00	1.00	1.00	13202.00	9434.00	16635.00	1.00	1.00	1.00	1.00	1.00	18017.00	12423.00	24548.00	29069.00	10524.00	15222.00	12442.00	12174.00	12001.00	13992.00	1.00	10362.00	12683.00	9316.00	10441.00	1.00	11499.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	8781.00	18154.00	10042.00
Acetylenic acids; 10,16-Heptadecadien-8-ynoic acid, 7-hydroxy, (E)-	22310.00	21244.00	22065.00	20696.00	23397.00	20455.00	23856.00	17915.00	23864.00	20719.00	22450.00	22738.00	22258.00	22188.00	29030.00	25613.00	24107.00	23651.00	23749.00	23475.00	22336.00	23940.00	24725.00	22245.00	23109.00	23351.00	23255.00	23875.00	22823.00	21966.00	24989.00	23510.00	23418.00	21030.00	22464.00	23136.00	24681.00	25381.00	25580.00	26805.00	28405.00	28490.00	26000.00	25822.00	22497.00	24824.00	25035.00	23037.00	23404.00	23510.00	22860.00	22530.00	21812.00	23170.00
C4 H5 N4 O2 S2	25000.00	24993.00	1.00	1.00	1.00	1.00	13349.00	12325.00	12954.00	13183.00	24910.00	27382.00	9553.00	1.00	26584.00	26474.00	27559.00	27103.00	1.00	1.00	1.00	1.00	27412.00	26378.00	29647.00	30882.00	1.00	1.00	1.00	9692.00	17168.00	14777.00	1.00	1.00	14292.00	16651.00	27463.00	27598.00	10571.00	1.00	12194.00	11832.00	11182.00	11899.00	31043.00	32126.00	12021.00	12172.00	14348.00	13863.00	31854.00	29283.00	10697.00	9871.00
C38 H83 N7 O3 S	26353.00	26531.00	21887.00	20700.00	23665.00	23958.00	23248.00	24963.00	23283.00	21500.00	26580.00	30038.00	23844.00	26228.00	31206.00	30335.00	24838.00	25862.00	24172.00	21437.00	24299.00	20818.00	27028.00	31493.00	25407.00	26956.00	23410.00	24339.00	22400.00	22482.00	23493.00	26436.00	22409.00	25650.00	26770.00	25452.00	25804.00	24997.00	23762.00	25404.00	23678.00	24815.00	23064.00	17939.00	28037.00	28097.00	21879.00	26609.00	24737.00	28634.00	28053.00	25846.00	23061.00	21121.00
C5 H4 O8	1.00	10158.00	1.00	1.00	13264.00	11959.00	22944.00	24592.00	18766.00	19533.00	15589.00	14896.00	11937.00	1.00	17873.00	16908.00	1.00	12121.00	18721.00	19926.00	11938.00	10539.00	18078.00	18180.00	18542.00	17619.00	28210.00	27319.00	13175.00	12752.00	16085.00	16941.00	15076.00	15534.00	13556.00	15501.00	17662.00	16094.00	12586.00	12422.00	17589.00	16995.00	14367.00	15687.00	17673.00	14726.00	20232.00	19666.00	12335.00	12295.00	22970.00	24187.00	16997.00	17632.00
C28 H43 N10 O5 Esi-9.730001	21868.00	23657.00	18537.00	19897.00	20296.00	14488.00	13573.00	24443.00	19213.00	20722.00	34245.00	36118.00	15753.00	23465.00	44034.00	40572.00	31943.00	19608.00	19405.00	18879.00	24396.00	23339.00	31415.00	29622.00	41656.00	39408.00	20311.00	20792.00	16836.00	25659.00	30978.00	30376.00	21689.00	18570.00	22269.00	24380.00	32677.00	30999.00	17853.00	18424.00	20822.00	18392.00	17185.00	18444.00	43926.00	28854.00	19877.00	12629.00	19950.00	20578.00	41355.00	42020.00	24117.00	21959.00
C23 H44 N3 O4 S	1.00	1.00	19920.00	14136.00	22210.00	20051.00	24958.00	32740.00	17875.00	17173.00	1.00	10304.00	21096.00	14377.00	1.00	1.00	1.00	1.00	23954.00	17411.00	23244.00	1.00	10535.00	11829.00	1.00	11241.00	22821.00	15961.00	28522.00	30715.00	13714.00	21684.00	22548.00	1.00	12399.00	22009.00	1.00	9883.00	20168.00	15271.00	14422.00	10299.00	16629.00	1.00	1.00	1.00	1.00	1.00	16440.00	14126.00	15484.00	12435.00	22582.00	16025.00
C6 H7 N5 O6	20601.00	18787.00	21716.00	23301.00	23012.00	21889.00	24216.00	30638.00	27242.00	25658.00	29559.00	32566.00	25594.00	25242.00	23392.00	21807.00	19050.00	23302.00	25502.00	32034.00	28016.00	23705.00	20941.00	25614.00	21795.00	19766.00	24472.00	25528.00	20106.00	20542.00	26672.00	21457.00	24627.00	24193.00	26901.00	24742.00	24393.00	23876.00	23866.00	26132.00	30081.00	24634.00	23112.00	23269.00	23471.00	23252.00	26150.00	26012.00	28003.00	28233.00	23973.00	24278.00	24655.00	27929.00
C7 H3 Cl3 N3 O2 S3	19243.00	24400.00	10442.00	1.00	12156.00	10619.00	10838.00	11756.00	10703.00	12265.00	19734.00	20944.00	11095.00	14307.00	22869.00	21296.00	19644.00	19818.00	12257.00	12023.00	13387.00	13682.00	18396.00	23311.00	23096.00	21098.00	13313.00	11949.00	1.00	12317.00	12835.00	14684.00	10890.00	12080.00	13681.00	14042.00	18845.00	21746.00	12966.00	13607.00	13439.00	12914.00	13221.00	12644.00	22678.00	18546.00	14168.00	11762.00	13900.00	14997.00	23184.00	22526.00	12799.00	13684.00
C10 H16 N7 O5	9891.00	1.00	26256.00	34906.00	26787.00	25738.00	23078.00	24041.00	18176.00	18916.00	14785.00	13566.00	19015.00	19810.00	10473.00	9703.00	10410.00	1.00	24948.00	23330.00	21066.00	24603.00	12824.00	13926.00	12469.00	14475.00	25194.00	23411.00	21455.00	23007.00	20876.00	18770.00	23257.00	22696.00	19607.00	19828.00	12575.00	12736.00	22653.00	22611.00	23087.00	22157.00	21000.00	21347.00	10053.00	10824.00	20547.00	20096.00	18038.00	19237.00	12315.00	11933.00	23236.00	24590.00
Ala Glu Gly	17121.00	17324.00	16941.00	16393.00	18905.00	18985.00	17473.00	16037.00	15629.00	17601.00	20216.00	21091.00	17689.00	20023.00	18613.00	19333.00	20287.00	20899.00	21304.00	20880.00	20176.00	20189.00	22593.00	25213.00	20401.00	20658.00	19951.00	18856.00	27991.00	27249.00	18801.00	18867.00	16120.00	19418.00	17753.00	16038.00	18670.00	19976.00	20104.00	17999.00	21319.00	24497.00	23838.00	22457.00	20966.00	20518.00	25104.00	23071.00	20388.00	23426.00	24099.00	23770.00	24240.00	23083.00
C22 H6 N O26 Esi-13.127009	316075.00	252084.00	107947.00	199596.00	360426.00	224965.00	248786.00	395514.00	377304.00	492597.00	307910.00	214959.00	95488.00	275385.00	25615.00	180550.00	195113.00	32807.00	83012.00	313215.00	474039.00	184989.00	235076.00	75343.00	90907.00	179736.00	130336.00	115646.00	503098.00	456545.00	212552.00	440447.00	439325.00	36404.00	178816.00	48983.00	113677.00	68360.00	93436.00	62780.00	158260.00	1.00	188660.00	176731.00	132331.00	139709.00	164366.00	133624.00	33773.00	88495.00	198167.00	148133.00	380069.00	160774.00
Cymather aldehyde methyl ester	1.00	1.00	30497.00	36553.00	48558.00	1.00	27590.00	25183.00	18195.00	1.00	1.00	1.00	31815.00	23516.00	1.00	1.00	82122.00	20354.00	27907.00	30343.00	15515.00	60728.00	1.00	1.00	20898.00	23234.00	26372.00	18635.00	25003.00	30235.00	52856.00	31630.00	24984.00	27001.00	34679.00	24260.00	1.00	1.00	22358.00	27018.00	1.00	1.00	1.00	16201.00	22436.00	45201.00	18710.00	18839.00	26058.00	1.00	1.00	1.00	28961.00	1.00
C41 H70 N4 O2	1.00	8922.00	26067.00	28197.00	26205.00	22233.00	25619.00	25528.00	20411.00	16316.00	14430.00	16391.00	23324.00	23183.00	16705.00	13925.00	14156.00	18636.00	23299.00	24294.00	21856.00	22196.00	12254.00	15298.00	14482.00	16632.00	22349.00	25963.00	21160.00	26403.00	25376.00	24305.00	26881.00	24390.00	20778.00	22055.00	16411.00	16984.00	23496.00	23298.00	24610.00	24995.00	22730.00	25350.00	16438.00	14338.00	21778.00	23852.00	19817.00	22207.00	15860.00	17943.00	29212.00	28296.00
C7 H10 O6 S	15326.00	15839.00	23407.00	21593.00	26276.00	27098.00	26407.00	24783.00	19157.00	20644.00	19764.00	19728.00	17837.00	16321.00	16188.00	16315.00	19393.00	18403.00	18712.00	20724.00	21166.00	19530.00	16177.00	18090.00	17039.00	15555.00	22420.00	20840.00	13436.00	13165.00	14374.00	15263.00	19970.00	19906.00	20197.00	21634.00	12442.00	11157.00	15922.00	16343.00	18437.00	16274.00	15469.00	13760.00	17495.00	17451.00	22996.00	22702.00	21446.00	20760.00	16323.00	16219.00	18989.00	18852.00
C29 H41 N12 O11	16936.00	13988.00	1.00	1.00	11848.00	12145.00	14854.00	14673.00	13120.00	13032.00	24107.00	21393.00	11476.00	12724.00	26801.00	25109.00	15715.00	16652.00	13129.00	14364.00	17084.00	17548.00	21295.00	22559.00	27298.00	29249.00	14934.00	15717.00	17229.00	18046.00	17279.00	17647.00	12347.00	12242.00	13045.00	14068.00	20096.00	20569.00	16153.00	15167.00	15826.00	17266.00	15719.00	13998.00	21569.00	21761.00	13972.00	12914.00	12149.00	13362.00	22896.00	23513.00	17971.00	16215.00
C8 H6 N3 O8	26471.00	25676.00	25832.00	25188.00	21695.00	22310.00	24188.00	22069.00	23610.00	24096.00	27666.00	26276.00	23396.00	25670.00	26176.00	25807.00	21645.00	21532.00	25828.00	25775.00	23481.00	24316.00	29501.00	31164.00	25884.00	27960.00	23127.00	23461.00	25537.00	29015.00	25960.00	27132.00	24229.00	23742.00	23638.00	24280.00	26580.00	28229.00	26284.00	24393.00	29078.00	25209.00	23989.00	24162.00	21883.00	26960.00	26706.00	28298.00	24604.00	27365.00	26246.00	28498.00	25724.00	27069.00
C29 H49 N3 O10	18689.00	47018.00	14185.00	36053.00	16099.00	16297.00	26277.00	19227.00	39622.00	14584.00	65410.00	27568.00	18803.00	19922.00	30975.00	30959.00	56553.00	23719.00	14887.00	14882.00	17798.00	45756.00	21916.00	24187.00	27261.00	31745.00	43201.00	40126.00	30340.00	19946.00	61048.00	23741.00	13097.00	13005.00	18446.00	19396.00	23347.00	23219.00	14748.00	14695.00	40896.00	16275.00	14927.00	38772.00	38769.00	34301.00	43221.00	18420.00	41823.00	16557.00	32283.00	32390.00	19226.00	17330.00
C38 H61 N5 O2	14704.00	14021.00	14586.00	17083.00	18150.00	17735.00	19620.00	28604.00	16080.00	17644.00	15597.00	15949.00	16555.00	17180.00	13737.00	13993.00	15614.00	15880.00	18838.00	17704.00	20656.00	16666.00	14551.00	14146.00	15180.00	15875.00	20014.00	16546.00	23195.00	26441.00	16319.00	17798.00	19174.00	16579.00	15149.00	16917.00	13924.00	13372.00	18438.00	17686.00	15722.00	16629.00	16318.00	17188.00	14132.00	1.00	14626.00	15922.00	14475.00	13838.00	15838.00	14980.00	20006.00	15916.00
Butopyronoxyl Esi-7.9689965	1.00	1.00	51957.00	18506.00	59708.00	51489.00	19282.00	43003.00	17943.00	32777.00	36056.00	28301.00	18062.00	21271.00	17836.00	11292.00	21128.00	44585.00	36414.00	34941.00	30344.00	35290.00	1.00	1.00	24946.00	70309.00	21500.00	41148.00	29119.00	44403.00	29429.00	21072.00	61520.00	52374.00	16472.00	41608.00	1.00	1.00	126619.00	96183.00	20857.00	17862.00	17155.00	19749.00	35844.00	40492.00	15327.00	40441.00	29104.00	1.00	18033.00	15558.00	18782.00	14337.00
C31 H37 N20 O15	1.00	1.00	14002.00	13038.00	1.00	1.00	11798.00	10280.00	10150.00	10420.00	1.00	1.00	1.00	10217.00	1.00	1.00	1.00	1.00	12214.00	10981.00	11322.00	11280.00	1.00	1.00	1.00	1.00	13111.00	12530.00	16072.00	14801.00	1.00	1.00	12411.00	13831.00	1.00	1.00	1.00	1.00	9870.00	1.00	12106.00	10898.00	1.00	1.00	1.00	1.00	1.00	1.00	10865.00	1.00	1.00	1.00	11847.00	1.00
2(R)-HPOT Esi-10.797998	15549.00	16102.00	23456.00	26030.00	1.00	1.00	14825.00	18340.00	38672.00	39016.00	17373.00	16345.00	20655.00	17290.00	17138.00	19519.00	13351.00	12325.00	15466.00	16865.00	16136.00	13763.00	14614.00	15146.00	16571.00	19505.00	11955.00	14151.00	21796.00	27073.00	18203.00	24081.00	15054.00	24117.00	24004.00	12574.00	17609.00	17400.00	29330.00	28966.00	19136.00	21689.00	21126.00	24543.00	23115.00	18355.00	23238.00	19604.00	30283.00	29027.00	15961.00	18654.00	26358.00	22374.00
Phytuberin Esi-14.112	21714.00	18897.00	58532.00	20800.00	179613.00	63988.00	127921.00	374176.00	78527.00	118912.00	25534.00	22206.00	146595.00	14342.00	17598.00	20538.00	41412.00	32112.00	181740.00	62758.00	258181.00	22537.00	20791.00	18780.00	17014.00	28424.00	215092.00	38321.00	553529.00	466042.00	42338.00	283497.00	152677.00	35415.00	27732.00	102609.00	26468.00	17146.00	100831.00	33471.00	39292.00	27500.00	71757.00	23217.00	20126.00	14709.00	21147.00	24081.00	25816.00	22687.00	64484.00	18257.00	367946.00	39429.00
6-hydroxy-heptanoic acid	11212.00	10731.00	15453.00	16200.00	26929.00	25370.00	18118.00	19158.00	11619.00	13031.00	14435.00	13090.00	21922.00	23062.00	15309.00	17401.00	14367.00	15021.00	19097.00	17712.00	14907.00	12553.00	10829.00	11605.00	15831.00	16582.00	14570.00	14131.00	17415.00	18013.00	25906.00	24894.00	18775.00	17998.00	20133.00	26852.00	11707.00	15134.00	17142.00	16269.00	11577.00	11825.00	14025.00	12812.00	22041.00	22418.00	13914.00	12939.00	19895.00	17975.00	17835.00	20015.00	18510.00	19165.00
Fampridine	12004.00	12470.00	13109.00	13140.00	16069.00	13352.00	1.00	1.00	1.00	1.00	1.00	1.00	14255.00	20215.00	19526.00	20109.00	16058.00	18907.00	14206.00	17545.00	13333.00	12549.00	11533.00	10889.00	1.00	1.00	18313.00	12793.00	25372.00	25277.00	19229.00	23169.00	15408.00	17953.00	11544.00	13003.00	13664.00	12038.00	10341.00	10418.00	27314.00	26149.00	26506.00	22924.00	24375.00	20039.00	16262.00	16483.00	16860.00	14899.00	15302.00	14798.00	10543.00	12301.00
C16 H4 O20 S2 Esi-13.447999	94676.00	1.00	1.00	1.00	1.00	55253.00	1.00	1.00	1.00	1.00	1.00	1.00	23815.00	73229.00	47412.00	34153.00	19572.00	1.00	24386.00	24481.00	1.00	1.00	72303.00	39281.00	1.00	31845.00	1.00	14234.00	1.00	1.00	1.00	94985.00	1.00	1.00	24084.00	23513.00	73585.00	103137.00	17551.00	39659.00	24242.00	37491.00	21873.00	27690.00	1.00	44488.00	1.00	17474.00	1.00	1.00	1.00	1.00	1.00	1.00
C12 O7 S4	22966.00	23466.00	13276.00	13527.00	13067.00	13542.00	14699.00	15185.00	15162.00	17780.00	24665.00	20388.00	13891.00	14419.00	22148.00	20210.00	19880.00	19115.00	15382.00	15178.00	15216.00	15244.00	22122.00	24710.00	20854.00	22379.00	14013.00	14461.00	14845.00	14775.00	17500.00	15580.00	14034.00	14667.00	16016.00	17825.00	23813.00	20028.00	16920.00	17738.00	16787.00	16202.00	17234.00	14319.00	24341.00	23934.00	16610.00	17033.00	18908.00	18390.00	23305.00	23773.00	15065.00	15189.00
C17 H41 N16 O7	12698.00	11987.00	7999.00	8829.00	14329.00	13315.00	11919.00	13135.00	7843.00	7866.00	14763.00	16160.00	10259.00	10089.00	19935.00	18437.00	11419.00	10421.00	12634.00	12475.00	12301.00	11422.00	11878.00	14038.00	13559.00	15996.00	8391.00	11472.00	12124.00	14613.00	13882.00	15944.00	12311.00	10487.00	11373.00	11927.00	15013.00	16786.00	11400.00	10199.00	8172.00	8408.00	10107.00	9312.00	22559.00	23784.00	10523.00	8893.00	11100.00	10229.00	17661.00	17549.00	11965.00	9148.00
C8 H4 O9 S2 Esi-13.447999	1.00	1.00	1.00	105363.00	1.00	1.00	92169.00	1.00	1.00	43269.00	1.00	1.00	17058.00	305930.00	1.00	1.00	1.00	1.00	48069.00	1.00	22178.00	1.00	1.00	1.00	1.00	1.00	24493.00	1.00	1.00	19081.00	1.00	89339.00	1.00	1.00	307853.00	1.00	1.00	1.00	28408.00	24572.00	48394.00	1.00	24499.00	1.00	1.00	1.00	1.00	1.00	1.00	102907.00	1.00	67913.00	22409.00	1.00
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid Esi-8.378999 :2	152608.00	151008.00	68191.00	67673.00	77473.00	77075.00	58933.00	60702.00	81128.00	83242.00	117021.00	118142.00	89421.00	98761.00	217753.00	216340.00	133739.00	137747.00	166632.00	164345.00	130623.00	133023.00	154487.00	153752.00	181005.00	187152.00	143572.00	138490.00	148891.00	151470.00	220252.00	220815.00	62593.00	57586.00	111516.00	114729.00	189234.00	190358.00	282821.00	306123.00	197664.00	191200.00	248664.00	245317.00	229538.00	223657.00	70953.00	72892.00	130369.00	132102.00	175757.00	179976.00	242123.00	246334.00
C29 H28 N3 O16 Esi-11.451997	48837.00	49197.00	1.00	1.00	1.00	1.00	1.00	1.00	27541.00	27975.00	35468.00	36635.00	1.00	1.00	52541.00	54763.00	45636.00	45753.00	27599.00	28035.00	40565.00	35960.00	50951.00	53338.00	61534.00	63703.00	42053.00	38489.00	51104.00	46402.00	42517.00	42181.00	1.00	1.00	1.00	18206.00	48547.00	48461.00	69057.00	66148.00	63986.00	59678.00	70903.00	68617.00	29077.00	28990.00	17990.00	1.00	21969.00	21082.00	36654.00	35455.00	53189.00	48676.00
C47 H67 N12	23173.00	23073.00	22244.00	22468.00	26700.00	25518.00	26521.00	27702.00	21087.00	23815.00	28348.00	28495.00	26029.00	25990.00	27317.00	29850.00	29138.00	28672.00	24200.00	25354.00	26889.00	25143.00	28974.00	28040.00	29091.00	28775.00	22455.00	24572.00	23815.00	23024.00	27296.00	25111.00	26070.00	25056.00	28333.00	29337.00	27883.00	26240.00	22439.00	26049.00	25673.00	24230.00	24579.00	23257.00	27288.00	30027.00	25591.00	25350.00	24822.00	27359.00	29602.00	29406.00	25360.00	24661.00
2-(Fluoromethoxy)-1,1,3,3,3-pentafluoro-1-propene (Compound A)	13831.00	20357.00	20475.00	20083.00	25483.00	56978.00	20427.00	48776.00	43420.00	41499.00	18550.00	45467.00	13190.00	33016.00	15504.00	16706.00	19376.00	25762.00	25542.00	44880.00	25467.00	22391.00	35539.00	16962.00	17956.00	20629.00	41767.00	20335.00	17224.00	14401.00	24440.00	16119.00	24061.00	21896.00	24490.00	48750.00	14597.00	14675.00	16535.00	14946.00	36759.00	33273.00	16711.00	15746.00	39452.00	38494.00	53291.00	53601.00	50597.00	22641.00	15501.00	36052.00	15714.00	35147.00
C3 H6 N O3	24715.00	23028.00	1.00	1.00	1.00	1.00	16091.00	16850.00	17064.00	17251.00	19488.00	22253.00	17479.00	16661.00	19990.00	19506.00	23185.00	19866.00	17744.00	14881.00	16034.00	14350.00	22284.00	25057.00	26356.00	20980.00	1.00	14614.00	16116.00	16254.00	15614.00	14227.00	14874.00	1.00	17915.00	17991.00	20344.00	18648.00	13662.00	17136.00	19369.00	15868.00	15009.00	15734.00	22482.00	22262.00	16281.00	16152.00	22016.00	22400.00	28389.00	19496.00	1.00	15009.00
C41 H77 N9 O7	25492.00	25042.00	15973.00	16827.00	19524.00	19701.00	20038.00	19731.00	20849.00	16181.00	24768.00	24346.00	20689.00	21302.00	26764.00	26375.00	24534.00	25262.00	19923.00	18111.00	19337.00	21110.00	25401.00	25930.00	25686.00	26629.00	19717.00	20077.00	19836.00	18887.00	18289.00	20592.00	22582.00	20698.00	20235.00	24505.00	23301.00	26234.00	17522.00	17428.00	22010.00	21225.00	18415.00	20591.00	27140.00	25077.00	19396.00	22784.00	21749.00	25096.00	25294.00	29136.00	16496.00	18275.00
Val His Lys Esi-11.889005	35340.00	37055.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	15838.00	44856.00	17282.00	41807.00	1.00	1.00	45856.00	1.00	35445.00	30559.00	49020.00	19913.00	45205.00	30762.00	33279.00	40078.00	49156.00	21397.00	1.00	1.00	1.00	1.00	15691.00	14840.00	23842.00	54998.00	16596.00	11420.00	22453.00	44194.00	38589.00	37045.00	1.00	1.00	1.00	1.00	44029.00	42202.00	30372.00	14378.00
C39 H41 N22	9919.00	12147.00	29764.00	29481.00	27875.00	24393.00	29574.00	29463.00	23384.00	19240.00	19243.00	18910.00	25850.00	23338.00	19094.00	16582.00	16282.00	17542.00	27825.00	28630.00	25619.00	25966.00	17371.00	15196.00	17785.00	16316.00	25412.00	29783.00	25952.00	29066.00	24704.00	26755.00	22206.00	27372.00	20095.00	24946.00	18356.00	18978.00	26170.00	28786.00	27587.00	27017.00	27419.00	30841.00	19438.00	17988.00	24834.00	22328.00	22012.00	25370.00	17385.00	19221.00	29866.00	29578.00
C10 O10 S4	22017.00	23511.00	1.00	1.00	10936.00	10609.00	12325.00	11713.00	15953.00	12776.00	21427.00	19505.00	13905.00	13267.00	22576.00	21099.00	19252.00	22095.00	12118.00	12298.00	11286.00	12496.00	23083.00	23961.00	24824.00	21668.00	11204.00	12316.00	11001.00	12020.00	14969.00	13571.00	12252.00	12542.00	16590.00	13631.00	22060.00	17859.00	12823.00	13244.00	13118.00	14429.00	13179.00	12269.00	22025.00	19705.00	13656.00	14296.00	13735.00	13733.00	19824.00	21522.00	11477.00	11759.00
C12 H Cl O5 S5	26326.00	24521.00	14434.00	12260.00	16141.00	15137.00	15337.00	13994.00	19326.00	18017.00	26297.00	24878.00	15599.00	19941.00	25193.00	25215.00	21967.00	23803.00	18566.00	16752.00	16767.00	14987.00	28281.00	24945.00	23474.00	26104.00	15953.00	17754.00	14397.00	16135.00	16655.00	15824.00	14441.00	15901.00	18451.00	20361.00	24632.00	25406.00	17986.00	15067.00	20271.00	20022.00	16889.00	17293.00	26910.00	24780.00	17441.00	17987.00	21201.00	17977.00	27730.00	27364.00	15701.00	16495.00
C13 H6 N O3	17973.00	17817.00	20286.00	21095.00	21847.00	22340.00	19741.00	22421.00	18565.00	17729.00	16484.00	13602.00	15050.00	15131.00	18974.00	18527.00	14550.00	15745.00	16260.00	18593.00	21914.00	22304.00	13317.00	14765.00	16166.00	16103.00	16879.00	17534.00	16075.00	18954.00	20378.00	22488.00	20233.00	20343.00	18013.00	17218.00	15910.00	16786.00	16358.00	16186.00	23583.00	22607.00	19371.00	18789.00	16532.00	18451.00	14215.00	16352.00	19641.00	19596.00	17062.00	16722.00	19755.00	19101.00
C16 H Cl N2 O S2	24091.00	26808.00	15362.00	14406.00	16482.00	17381.00	16431.00	18023.00	19836.00	17562.00	22429.00	23070.00	17788.00	19282.00	23979.00	21847.00	21801.00	25385.00	17656.00	15768.00	15267.00	18287.00	27318.00	24862.00	23524.00	25329.00	16723.00	16096.00	16497.00	18939.00	19233.00	16677.00	16944.00	19637.00	18752.00	18402.00	24174.00	24658.00	17609.00	15506.00	18091.00	18842.00	16959.00	19262.00	24520.00	22912.00	17568.00	18318.00	17947.00	19477.00	24052.00	24094.00	14656.00	18422.00
7-Methylxanthine Esi-11.893999	12029.00	15056.00	16696.00	17165.00	18731.00	16462.00	17690.00	26171.00	17884.00	18845.00	15820.00	16617.00	18128.00	19032.00	16504.00	13931.00	19883.00	16805.00	17146.00	16145.00	20874.00	14612.00	13802.00	14352.00	16530.00	14904.00	20266.00	16018.00	24104.00	27050.00	16475.00	24929.00	15289.00	13923.00	17697.00	21095.00	16862.00	15683.00	20751.00	17526.00	16272.00	13058.00	17194.00	14682.00	16698.00	14818.00	12978.00	16350.00	17312.00	17243.00	16926.00	17783.00	22336.00	16239.00
C26 H55 N20 O10	17900.00	16108.00	26248.00	24734.00	27909.00	28453.00	28067.00	26467.00	22066.00	24309.00	20511.00	22229.00	25596.00	25724.00	20379.00	20885.00	18737.00	22253.00	25970.00	28039.00	28244.00	25355.00	19735.00	20741.00	19864.00	19931.00	23719.00	26616.00	26333.00	25732.00	27698.00	25566.00	26537.00	26637.00	26347.00	25959.00	21719.00	20064.00	25506.00	27120.00	26028.00	25755.00	24875.00	26963.00	21114.00	20439.00	26282.00	27813.00	28381.00	25918.00	19337.00	21247.00	28870.00	30010.00
C19 H4 O22 S2	24636.00	27086.00	13943.00	14262.00	15515.00	15518.00	17019.00	16963.00	16646.00	16270.00	21520.00	23113.00	18026.00	15910.00	23865.00	23399.00	25525.00	23197.00	15324.00	14636.00	15534.00	17258.00	23440.00	23882.00	21802.00	22640.00	15086.00	15356.00	13672.00	13804.00	15479.00	14721.00	17191.00	16964.00	17837.00	17467.00	21643.00	21631.00	14990.00	15212.00	16283.00	15716.00	15014.00	14376.00	22315.00	22136.00	17285.00	17858.00	18492.00	17800.00	22393.00	21157.00	15635.00	14694.00
1-O-Sinapoyl-?-D-glucose	1.00	11588.00	23435.00	26069.00	27736.00	23839.00	27194.00	24513.00	20985.00	21608.00	1.00	1.00	15448.00	14940.00	1.00	1.00	11243.00	11002.00	21832.00	20809.00	27215.00	27053.00	1.00	1.00	13941.00	15374.00	25303.00	27690.00	21097.00	21007.00	17678.00	17628.00	22521.00	23374.00	19290.00	20839.00	10163.00	13237.00	20242.00	20420.00	18456.00	18506.00	17018.00	16173.00	1.00	1.00	24364.00	23233.00	22169.00	21426.00	14995.00	17103.00	23889.00	24824.00
12R,13S-epoxy-9S-hydroxy-10E-octadecenoic acid Esi-9.713996	15757.00	15951.00	5320.00	7401.00	4236.00	4196.00	3721.00	4371.00	6311.00	8771.00	9427.00	10642.00	7685.00	5896.00	22430.00	20369.00	17154.00	15676.00	12855.00	12961.00	11820.00	11577.00	15280.00	15743.00	19517.00	20612.00	14648.00	11194.00	18711.00	19397.00	22664.00	26654.00	5448.00	5397.00	9910.00	9095.00	18316.00	17923.00	27577.00	28193.00	23214.00	20596.00	27315.00	25952.00	16259.00	16189.00	4917.00	5522.00	12942.00	13473.00	18483.00	17555.00	23085.00	23019.00
Orthothymotinic Acid Esi-8.777004 :1	354350.00	351093.00	357083.00	358149.00	368068.00	366485.00	340296.00	332818.00	353035.00	353688.00	352445.00	350170.00	19581.00	338269.00	326727.00	332412.00	322600.00	316773.00	327904.00	324273.00	311207.00	340914.00	346574.00	335562.00	335032.00	333943.00	336650.00	342379.00	59557.00	343452.00	346791.00	347067.00	356285.00	360123.00	337600.00	362393.00	347027.00	338262.00	348926.00	323239.00	317760.00	341702.00	318271.00	339130.00	331679.00	344855.00	340346.00	353778.00	347337.00	343240.00	345691.00	332458.00	342615.00	351201.00
C10 H Cl3 N O	55554.00	46197.00	26044.00	27375.00	27896.00	28941.00	31104.00	31048.00	33466.00	37195.00	46390.00	50617.00	31238.00	34824.00	48635.00	47998.00	47212.00	52785.00	28414.00	31022.00	30492.00	30665.00	57603.00	62556.00	52463.00	49946.00	32581.00	29148.00	32326.00	36198.00	26376.00	34373.00	32759.00	33811.00	34694.00	35718.00	48617.00	43172.00	34044.00	30284.00	35229.00	35968.00	37838.00	36869.00	53665.00	52436.00	35364.00	39819.00	36645.00	28430.00	48113.00	51685.00	30431.00	31772.00
(S)-2-Ethyl-3-hydroxypropionic acid Esi-3.3789988	16303.00	17737.00	17029.00	14531.00	18855.00	27439.00	21996.00	18330.00	21159.00	19919.00	19628.00	19316.00	19012.00	17851.00	25762.00	22271.00	22402.00	15194.00	24110.00	28866.00	26063.00	21327.00	24792.00	25071.00	22224.00	23132.00	29600.00	23982.00	21826.00	24152.00	21967.00	20869.00	18216.00	20018.00	21569.00	24845.00	21907.00	22802.00	27009.00	23306.00	24912.00	26896.00	29771.00	26333.00	24348.00	23039.00	26232.00	27902.00	21059.00	22516.00	21612.00	25483.00	23703.00	21526.00
C4 H4 O2 S2	39312.00	48196.00	1.00	1.00	1.00	1.00	30880.00	20885.00	34017.00	38030.00	32742.00	42412.00	32450.00	22592.00	43112.00	36389.00	44451.00	40245.00	1.00	1.00	29901.00	29780.00	38854.00	44172.00	30806.00	40157.00	38511.00	36851.00	26932.00	1.00	26434.00	18995.00	26066.00	22902.00	25700.00	36004.00	37004.00	33428.00	37132.00	27393.00	28618.00	35038.00	27991.00	30794.00	47080.00	44401.00	34659.00	33660.00	25752.00	30230.00	32574.00	33877.00	25002.00	24338.00
C37 H75 N14	23916.00	22992.00	17816.00	15933.00	20402.00	19871.00	19269.00	21772.00	21653.00	21596.00	23202.00	22078.00	20152.00	24026.00	26034.00	28289.00	24597.00	26541.00	17463.00	22585.00	20906.00	20762.00	25261.00	28990.00	26124.00	26075.00	22882.00	20554.00	19666.00	18132.00	21558.00	21620.00	23343.00	22695.00	21733.00	25525.00	21010.00	25310.00	23664.00	20441.00	22880.00	20518.00	21868.00	20975.00	26425.00	25953.00	20995.00	23434.00	23854.00	19667.00	27918.00	27537.00	19671.00	20088.00
CAY10567	18178.00	22667.00	1.00	1.00	1.00	13789.00	15414.00	16658.00	22136.00	21447.00	20744.00	16349.00	17902.00	16468.00	19775.00	13594.00	17236.00	29679.00	10055.00	11869.00	23669.00	17319.00	14945.00	12484.00	18812.00	21073.00	16397.00	26126.00	15803.00	1.00	15983.00	14748.00	17082.00	17057.00	14934.00	18006.00	16729.00	19422.00	16784.00	19817.00	19169.00	12690.00	19062.00	12827.00	21552.00	28156.00	20761.00	23798.00	25219.00	19578.00	29385.00	31125.00	17623.00	16177.00
C3 H4 N O5 S2	96415.00	103302.00	24783.00	26532.00	19206.00	31383.00	27557.00	33350.00	49358.00	46913.00	86229.00	89825.00	33574.00	34746.00	88537.00	85300.00	77420.00	74513.00	23446.00	26616.00	28151.00	29226.00	93721.00	90651.00	85657.00	82997.00	31459.00	33169.00	38442.00	38324.00	41561.00	40176.00	26012.00	31175.00	40356.00	41848.00	74559.00	79209.00	38643.00	35431.00	38923.00	37933.00	40480.00	36448.00	84591.00	77564.00	38255.00	34618.00	39036.00	39864.00	71767.00	78078.00	29168.00	33026.00
C3 H4 O2 Esi-1.613999 :1	63340.00	62534.00	74916.00	71268.00	68009.00	61610.00	81156.00	76226.00	71041.00	66677.00	63417.00	55069.00	64755.00	70881.00	68953.00	65943.00	58510.00	59222.00	63658.00	64324.00	84115.00	91375.00	72111.00	72268.00	100237.00	87130.00	93200.00	95980.00	65235.00	71181.00	64271.00	78858.00	61519.00	45505.00	67875.00	47923.00	60550.00	56050.00	74730.00	68828.00	77948.00	77545.00	91082.00	88940.00	83286.00	69118.00	93165.00	89014.00	63089.00	73442.00	77338.00	91661.00	85447.00	75413.00
His Asp Esi-1.2730001	82093.00	79346.00	111313.00	106485.00	148933.00	141868.00	135239.00	129093.00	111061.00	54240.00	110335.00	108245.00	75197.00	31912.00	44925.00	66627.00	100633.00	98134.00	93534.00	99203.00	60383.00	125206.00	79826.00	76915.00	94478.00	95816.00	126311.00	129707.00	25289.00	68851.00	30861.00	77451.00	103170.00	103195.00	99378.00	97850.00	70241.00	66235.00	81543.00	83587.00	79768.00	29333.00	27699.00	28364.00	80100.00	72760.00	70205.00	141471.00	133438.00	65098.00	105719.00	96791.00	103975.00	104824.00
C8 H4 O6 S	26314.00	24795.00	14143.00	13257.00	14897.00	14719.00	18023.00	17489.00	20302.00	18879.00	24095.00	25175.00	18372.00	19494.00	23795.00	27207.00	24542.00	24233.00	17348.00	17093.00	17475.00	18193.00	25068.00	29923.00	27951.00	22184.00	16557.00	16781.00	14205.00	14456.00	18747.00	18747.00	16622.00	15051.00	19568.00	19540.00	21921.00	23326.00	17454.00	19864.00	16617.00	13634.00	15040.00	18312.00	22964.00	23950.00	21362.00	20361.00	19341.00	19096.00	21816.00	26239.00	19165.00	16753.00
C17 H2 Cl2 N O15 S5	27388.00	27166.00	382.00	1.00	1.00	1.00	1485.00	1.00	8653.00	8101.00	22976.00	23315.00	5004.00	3618.00	24658.00	25103.00	23989.00	22483.00	1.00	3539.00	3752.00	4255.00	31266.00	27359.00	25649.00	24865.00	3857.00	3234.00	3295.00	5705.00	8577.00	6956.00	1.00	1.00	6931.00	8876.00	20433.00	22684.00	4713.00	3929.00	5434.00	4658.00	4687.00	1.00	21739.00	24674.00	5385.00	5855.00	8851.00	7789.00	24873.00	25477.00	4196.00	5248.00
Arene oxide	15461.00	15519.00	17410.00	22013.00	28298.00	25034.00	23846.00	23719.00	18051.00	19911.00	19784.00	21833.00	15355.00	16568.00	20845.00	16921.00	13451.00	1.00	27757.00	24897.00	23492.00	24529.00	16929.00	19580.00	22498.00	19629.00	25547.00	25592.00	19531.00	20079.00	17711.00	18859.00	21358.00	24575.00	20263.00	19507.00	14279.00	13296.00	19993.00	16527.00	20032.00	20594.00	19631.00	22912.00	22595.00	19693.00	23891.00	22730.00	22487.00	23592.00	15941.00	16280.00	19275.00	20840.00
C4 H4 Cl2 N6 O S	34271.00	38178.00	23059.00	21093.00	24297.00	25714.00	31625.00	31613.00	35018.00	34015.00	36967.00	38100.00	32097.00	29802.00	36226.00	35610.00	36206.00	36755.00	27874.00	29737.00	27949.00	31963.00	35521.00	36250.00	39149.00	38491.00	27743.00	28992.00	25979.00	29947.00	30980.00	29527.00	27989.00	25536.00	30244.00	33996.00	36461.00	36077.00	31609.00	30634.00	34992.00	34109.00	26801.00	30117.00	38243.00	37475.00	29605.00	30180.00	33664.00	31865.00	32442.00	35447.00	29225.00	27134.00
C10 H16 N2 O10	1.00	20395.00	21654.00	21760.00	18892.00	20197.00	25308.00	24320.00	21997.00	22436.00	20434.00	19347.00	19393.00	21342.00	1.00	1.00	19696.00	20772.00	19408.00	20829.00	31571.00	29472.00	16608.00	17602.00	20046.00	19748.00	24888.00	21593.00	21523.00	20155.00	23172.00	22042.00	20365.00	19869.00	24825.00	19901.00	20551.00	20851.00	22225.00	24072.00	21047.00	21629.00	23353.00	21476.00	18407.00	18279.00	30765.00	32293.00	25565.00	25969.00	21885.00	21589.00	26926.00	26502.00
Doisynoestrol Esi-9.844996 :1	84334.00	80191.00	88736.00	89691.00	81726.00	90024.00	88622.00	85108.00	81579.00	83662.00	82686.00	86748.00	78264.00	75731.00	81002.00	78942.00	77370.00	84497.00	84277.00	81783.00	88352.00	75091.00	78591.00	78913.00	77077.00	72375.00	79773.00	73028.00	83815.00	82395.00	69096.00	76510.00	75695.00	82903.00	78221.00	76409.00	75739.00	78809.00	71411.00	77351.00	87165.00	75628.00	77405.00	73298.00	82645.00	79215.00	75065.00	77741.00	76549.00	74930.00	74148.00	72839.00	77232.00	72011.00
C31 H49 O11 Esi-9.178001	599699.00	593934.00	317605.00	324632.00	430097.00	422893.00	502188.00	517124.00	452258.00	467100.00	854629.00	844447.00	377768.00	409037.00	970525.00	961903.00	583747.00	583961.00	468450.00	468358.00	618235.00	608321.00	850557.00	848937.00	1111107.00	1137046.00	544839.00	542585.00	607769.00	664312.00	646656.00	647935.00	431543.00	423482.00	464538.00	491197.00	753618.00	749572.00	549444.00	542387.00	556358.00	580827.00	536198.00	531742.00	861326.00	874010.00	510290.00	508469.00	433224.00	424574.00	921269.00	920886.00	597589.00	553232.00
C10 H8 O15 S	27099.00	29010.00	16922.00	17435.00	18138.00	18427.00	21485.00	18935.00	20345.00	20601.00	25473.00	25605.00	22593.00	21385.00	28631.00	25556.00	23376.00	25717.00	19504.00	19467.00	20339.00	20768.00	29446.00	28066.00	27127.00	30402.00	18541.00	19216.00	20655.00	20768.00	21029.00	21735.00	19222.00	21420.00	23817.00	22053.00	26938.00	29168.00	20882.00	20841.00	21996.00	22244.00	19804.00	21735.00	23231.00	26400.00	21838.00	22620.00	23094.00	22435.00	27379.00	25516.00	21719.00	19256.00
C8 H7 N3 O9	10967.00	11088.00	1.00	1.00	1.00	12462.00	11386.00	12325.00	17724.00	14426.00	16817.00	15139.00	1.00	11598.00	13214.00	11600.00	1.00	1.00	17878.00	17809.00	12720.00	12593.00	19510.00	18666.00	1.00	1.00	12384.00	11987.00	16311.00	16962.00	10108.00	1.00	25555.00	25821.00	1.00	1.00	23728.00	23419.00	15412.00	15410.00	14725.00	12462.00	1.00	1.00	12206.00	11506.00	15793.00	16043.00	14276.00	17234.00	18860.00	18602.00	18064.00	15995.00
Dimethyl sulfate	28507.00	26784.00	22000.00	20466.00	27578.00	22724.00	14544.00	13836.00	26413.00	26677.00	20906.00	26135.00	23898.00	24861.00	12967.00	13029.00	9049.00	10001.00	13380.00	13424.00	1.00	1.00	21079.00	18280.00	18158.00	19223.00	20890.00	19245.00	10680.00	1.00	25619.00	26460.00	14792.00	14032.00	26361.00	23922.00	28373.00	27748.00	22293.00	23066.00	24393.00	23444.00	26002.00	27463.00	30830.00	28863.00	23492.00	24102.00	24036.00	22543.00	28773.00	26883.00	21844.00	21774.00
C26 H39 N17 O14 Esi-11.606001	13762.00	13060.00	72664.00	62071.00	82254.00	70251.00	77301.00	74751.00	60595.00	68458.00	18890.00	27647.00	73626.00	60906.00	18789.00	18027.00	33983.00	30062.00	80490.00	62010.00	82581.00	48749.00	21065.00	22316.00	33361.00	29051.00	80966.00	62714.00	80745.00	78467.00	50734.00	73151.00	82886.00	57466.00	44069.00	71135.00	16744.00	22684.00	64535.00	52894.00	59474.00	39193.00	58485.00	35717.00	15759.00	17261.00	36502.00	37744.00	53213.00	43643.00	45386.00	31422.00	78025.00	54488.00
C13 H29 N8 O5	17315.00	17690.00	19812.00	17574.00	17280.00	19439.00	17499.00	16951.00	22483.00	21476.00	18963.00	16442.00	16611.00	18443.00	17912.00	19295.00	17605.00	18174.00	16560.00	17298.00	17964.00	17460.00	20068.00	18554.00	18952.00	17798.00	18808.00	17883.00	17349.00	18419.00	17884.00	18646.00	18807.00	18805.00	23496.00	24219.00	16957.00	17818.00	17502.00	18757.00	20817.00	18517.00	20578.00	18839.00	18605.00	18447.00	19213.00	18113.00	17861.00	20037.00	20037.00	22936.00	18264.00	16073.00
Trinexapac-ethyl Esi-8.218996	10612.00	12964.00	21110.00	17286.00	14558.00	16261.00	11980.00	14811.00	15165.00	16790.00	16677.00	14527.00	1.00	14946.00	13871.00	11086.00	16565.00	15286.00	12342.00	12412.00	14686.00	16489.00	12016.00	13406.00	13098.00	14340.00	18110.00	15460.00	15067.00	10662.00	14310.00	24433.00	25104.00	12076.00	18631.00	17616.00	13145.00	12521.00	13434.00	17070.00	13837.00	12342.00	19202.00	19164.00	12246.00	16118.00	14935.00	24901.00	15860.00	14845.00	16042.00	17349.00	1.00	14888.00
Protoveratrine B	10825.00	11280.00	22158.00	20844.00	20929.00	20640.00	21125.00	19648.00	17762.00	15134.00	14928.00	13152.00	17279.00	16706.00	12886.00	14359.00	10729.00	11942.00	21107.00	21861.00	19716.00	20293.00	12321.00	13867.00	13173.00	13721.00	19947.00	20375.00	19672.00	19697.00	18927.00	19684.00	18333.00	18623.00	16818.00	18326.00	13775.00	15049.00	24942.00	21195.00	19387.00	20164.00	21525.00	21923.00	13455.00	14160.00	21316.00	20038.00	17629.00	17748.00	13754.00	15402.00	21634.00	22666.00
Endothal	15846.00	19606.00	16868.00	17444.00	17817.00	18168.00	18541.00	21147.00	18925.00	19986.00	18144.00	18403.00	17883.00	17436.00	17238.00	21018.00	13586.00	15823.00	20592.00	21791.00	18847.00	20708.00	21482.00	23042.00	25111.00	20628.00	22135.00	23178.00	23856.00	22845.00	21144.00	20718.00	20457.00	19603.00	19630.00	22156.00	22233.00	21292.00	25854.00	23812.00	23308.00	24544.00	27706.00	25730.00	20370.00	19653.00	25198.00	24249.00	21050.00	21771.00	26986.00	22903.00	23988.00	20531.00
C43 H83 N3 O3	31709.00	32773.00	10622.00	9898.00	12654.00	12390.00	14482.00	17311.00	15723.00	15646.00	27588.00	26369.00	12266.00	12032.00	31121.00	28684.00	28999.00	30265.00	16366.00	15119.00	17987.00	16132.00	31149.00	31143.00	27896.00	27851.00	15033.00	14395.00	12545.00	13958.00	16722.00	17168.00	11972.00	11902.00	18821.00	16456.00	24241.00	27479.00	14759.00	16737.00	16399.00	18097.00	17451.00	16398.00	31305.00	31120.00	19358.00	20750.00	17989.00	18492.00	28654.00	27269.00	15036.00	14785.00
C7 H14 N4 O8	16812.00	16027.00	15694.00	15473.00	16150.00	19451.00	12556.00	15081.00	18802.00	17918.00	16573.00	16649.00	16542.00	16809.00	11584.00	10235.00	15986.00	15890.00	13379.00	11399.00	15269.00	17445.00	13367.00	11832.00	20968.00	22673.00	16805.00	17087.00	22983.00	23135.00	18836.00	16601.00	23404.00	22712.00	20839.00	19458.00	23174.00	23914.00	15996.00	17007.00	20450.00	21405.00	17719.00	13984.00	23491.00	24220.00	16770.00	17663.00	20297.00	21576.00	15685.00	17079.00	21567.00	18314.00
C36 H50 N8 O S	1.00	1.00	41533.00	26824.00	23881.00	24804.00	32712.00	1.00	72872.00	102597.00	1.00	1.00	35798.00	22812.00	1.00	1.00	20943.00	1.00	43993.00	46004.00	25187.00	47325.00	14359.00	20392.00	1.00	13499.00	26547.00	19173.00	1.00	1.00	22183.00	1.00	48954.00	38270.00	23532.00	20578.00	1.00	11712.00	39673.00	40127.00	14328.00	22531.00	37049.00	10096.00	1.00	1.00	1.00	11542.00	16892.00	17118.00	23048.00	14812.00	20561.00	25777.00
C34 H71 N6 O	13677.00	14894.00	26100.00	23981.00	23593.00	23503.00	24000.00	24438.00	18787.00	20443.00	17416.00	17985.00	21422.00	21855.00	17419.00	17973.00	15396.00	15025.00	25233.00	25364.00	22970.00	23239.00	17234.00	16109.00	17298.00	16681.00	22661.00	23215.00	22751.00	22179.00	25935.00	23678.00	23325.00	22272.00	22559.00	23758.00	16432.00	18611.00	27076.00	24782.00	24758.00	23394.00	25115.00	26968.00	16903.00	17779.00	24169.00	23803.00	24245.00	24346.00	18562.00	18871.00	27296.00	24037.00
C7 H13 Cl O S5	71869.00	82159.00	135362.00	158783.00	187533.00	1.00	46689.00	41263.00	1.00	27584.00	18414.00	26445.00	188156.00	130850.00	60961.00	28333.00	58475.00	63488.00	41333.00	48905.00	44088.00	52752.00	46348.00	176307.00	70900.00	335056.00	115299.00	57904.00	40826.00	28802.00	37262.00	16365.00	124237.00	1.00	1.00	1.00	63166.00	83572.00	39592.00	68120.00	40420.00	33052.00	36405.00	59892.00	111257.00	30237.00	204585.00	218391.00	25367.00	52276.00	66241.00	53535.00	30556.00	100892.00
S-Glutathionyl-L-cysteine	21731.00	24227.00	16959.00	19955.00	14344.00	13634.00	1.00	12273.00	14652.00	12829.00	17129.00	18903.00	1.00	12994.00	19210.00	20157.00	24449.00	25697.00	15891.00	18833.00	18749.00	17853.00	18909.00	19746.00	19401.00	19814.00	15703.00	13906.00	15808.00	15468.00	17855.00	16873.00	11697.00	13028.00	14366.00	1.00	18072.00	19492.00	12669.00	14454.00	14928.00	14877.00	17425.00	16247.00	22417.00	23433.00	24396.00	21673.00	20994.00	19833.00	27005.00	28269.00	14790.00	13109.00
C48 H56 N8	9670.00	8787.00	26397.00	24544.00	22981.00	23009.00	22893.00	26735.00	18167.00	18918.00	16332.00	16721.00	22643.00	21541.00	16604.00	13932.00	13642.00	14419.00	19411.00	23173.00	17649.00	22794.00	12931.00	12929.00	14922.00	14642.00	23037.00	25806.00	23908.00	22025.00	21528.00	24158.00	23475.00	22201.00	21851.00	22669.00	15583.00	15715.00	20196.00	22294.00	25173.00	23803.00	25513.00	24283.00	17983.00	14885.00	24312.00	26019.00	23557.00	23327.00	19290.00	16093.00	25929.00	20471.00
C14 H8 O18	19304.00	22117.00	20065.00	20176.00	21117.00	22294.00	22495.00	20088.00	22166.00	20276.00	22907.00	21743.00	17454.00	20836.00	22111.00	20728.00	17141.00	18066.00	22865.00	22448.00	18507.00	18446.00	19592.00	22281.00	21894.00	20866.00	20419.00	21701.00	19833.00	21700.00	21455.00	20806.00	22626.00	21326.00	22185.00	22273.00	21801.00	23442.00	26124.00	22904.00	21303.00	21332.00	19847.00	19812.00	21054.00	22123.00	20842.00	20423.00	21013.00	20343.00	22007.00	20519.00	23161.00	21069.00
Tropolone Esi-5.112	18523.00	20834.00	22131.00	24084.00	28185.00	28547.00	24225.00	25995.00	28786.00	33142.00	29836.00	29724.00	23169.00	25045.00	24625.00	22421.00	24368.00	28043.00	23299.00	25393.00	20259.00	28546.00	25977.00	28181.00	24695.00	26870.00	34870.00	17025.00	31079.00	35541.00	27665.00	24675.00	28731.00	29638.00	20575.00	23371.00	28752.00	25714.00	28030.00	22250.00	24998.00	29703.00	23216.00	25479.00	25703.00	27930.00	31178.00	28108.00	30297.00	28651.00	23637.00	29844.00	19711.00	21427.00
C29 H39 N13 O4	1.00	1.00	12274.00	11067.00	14292.00	13778.00	17643.00	22010.00	12919.00	14419.00	1.00	1.00	12358.00	13152.00	1.00	1.00	1.00	1.00	18261.00	16614.00	23612.00	17945.00	1.00	1.00	1.00	1.00	17972.00	12473.00	26331.00	24072.00	1.00	12332.00	17704.00	14913.00	1.00	11389.00	1.00	1.00	19245.00	17377.00	14659.00	12402.00	10652.00	1.00	1.00	1.00	11990.00	11825.00	12752.00	12433.00	1.00	1.00	18604.00	12540.00
3-Nitrophenol	30595.00	31423.00	25802.00	25609.00	35003.00	29594.00	33488.00	29473.00	32272.00	35111.00	30798.00	28176.00	29700.00	25229.00	35369.00	32777.00	34630.00	26200.00	29645.00	29287.00	34245.00	34816.00	36091.00	26025.00	33112.00	32239.00	34731.00	21944.00	26875.00	35077.00	32661.00	30850.00	21903.00	33601.00	25188.00	27828.00	27470.00	24212.00	29221.00	29981.00	30422.00	31159.00	28262.00	24548.00	30283.00	28835.00	27817.00	30152.00	1.00	1.00	1.00	1.00	1.00	1.00
C17 H32 N7 O2 S	17996.00	16922.00	14737.00	16589.00	14664.00	15385.00	14130.00	1.00	12989.00	13573.00	17669.00	18167.00	12742.00	14383.00	18098.00	18528.00	18204.00	16675.00	12952.00	13109.00	1.00	15070.00	18434.00	18339.00	17079.00	18088.00	13463.00	14933.00	1.00	1.00	16807.00	15421.00	15115.00	13981.00	14233.00	15460.00	19122.00	18897.00	16686.00	13852.00	14133.00	13414.00	25114.00	22641.00	19038.00	19574.00	15074.00	13374.00	13691.00	12775.00	18389.00	20043.00	15229.00	15182.00
15(R)-17-phenyl trinor PGF2? isopropyl ester	1.00	1.00	8924.00	3556.00	10841.00	7392.00	9921.00	22062.00	6663.00	7692.00	1.00	1.00	9821.00	3953.00	1.00	1.00	1.00	1.00	11684.00	7074.00	13752.00	3008.00	1.00	1.00	1.00	1.00	12627.00	6861.00	17865.00	17077.00	4874.00	13687.00	11532.00	3273.00	3104.00	10653.00	1.00	1.00	9957.00	5615.00	6373.00	1.00	8270.00	1.00	1.00	1.00	1.00	1.00	4431.00	3355.00	5047.00	3094.00	15744.00	5333.00
C15 H2 O17 Esi-0.7169994	40197.00	43852.00	70501.00	48328.00	42065.00	78655.00	43970.00	76737.00	88026.00	40323.00	124226.00	120764.00	44191.00	19262.00	40584.00	42718.00	39247.00	43217.00	47432.00	44766.00	44051.00	44127.00	47944.00	47670.00	38390.00	43158.00	44033.00	82438.00	45179.00	78914.00	46783.00	92219.00	93877.00	49574.00	44887.00	42696.00	121763.00	42086.00	52750.00	49292.00	96391.00	43664.00	46164.00	45785.00	45832.00	125942.00	92494.00	91630.00	41725.00	42826.00	46448.00	48430.00	42854.00	40251.00
C7 H6 N O6 S4	51618.00	53201.00	30062.00	31628.00	36270.00	34941.00	35377.00	35627.00	36041.00	40823.00	50518.00	53733.00	35576.00	38125.00	52601.00	53092.00	41310.00	43104.00	31958.00	42390.00	33150.00	37666.00	56651.00	57991.00	48992.00	52571.00	38663.00	31368.00	35668.00	38250.00	31519.00	43462.00	31869.00	36412.00	39950.00	39769.00	46540.00	49051.00	41942.00	40192.00	37850.00	39757.00	34184.00	33600.00	50457.00	48025.00	42409.00	35542.00	40875.00	38634.00	50951.00	46910.00	32124.00	37705.00
C4 H2 N O5 S Esi-0.7890003 :2	904824.00	981334.00	358869.00	340888.00	296301.00	388953.00	470710.00	444442.00	620715.00	617937.00	741083.00	842381.00	512129.00	573358.00	830835.00	828257.00	842945.00	811453.00	503482.00	498543.00	506731.00	493564.00	889650.00	903400.00	918658.00	906436.00	501192.00	484030.00	395754.00	410272.00	455791.00	459022.00	376291.00	381157.00	532833.00	579976.00	829299.00	873088.00	537894.00	515994.00	527415.00	562790.00	521043.00	499993.00	853576.00	841327.00	816094.00	820989.00	606723.00	592622.00	770444.00	905881.00	489279.00	408034.00
Formimidoyl-fortimicin A	1.00	1.00	1.00	11997.00	1.00	1.00	1.00	1.00	13498.00	14682.00	1.00	1.00	1.00	1.00	20541.00	19972.00	22709.00	22865.00	1.00	1.00	1.00	1.00	15011.00	14987.00	16456.00	15555.00	14872.00	17794.00	11814.00	1.00	14820.00	15278.00	1.00	1.00	1.00	1.00	1.00	1.00	14393.00	13566.00	15954.00	16416.00	15274.00	14588.00	1.00	1.00	1.00	1.00	1.00	1.00	17227.00	16638.00	1.00	1.00
C30 H47 N10 O3	1.00	1.00	67359.00	34250.00	93984.00	54538.00	71869.00	309988.00	24502.00	39634.00	1.00	1.00	72639.00	21617.00	1.00	1.00	15910.00	13917.00	90795.00	42837.00	101519.00	13411.00	1.00	1.00	14323.00	1.00	106641.00	47622.00	234864.00	252693.00	36702.00	137561.00	85241.00	18478.00	18825.00	75018.00	1.00	1.00	63742.00	29558.00	32825.00	1.00	48360.00	1.00	1.00	1.00	1.00	1.00	17925.00	1.00	37757.00	12799.00	143230.00	27058.00
3-hexenedial	44298.00	59072.00	113565.00	106238.00	33189.00	96199.00	44750.00	26908.00	93298.00	132416.00	47347.00	33810.00	50930.00	51708.00	22466.00	44223.00	110020.00	44677.00	89527.00	50919.00	48191.00	41262.00	143437.00	103320.00	99894.00	48808.00	93518.00	26059.00	99555.00	113741.00	114583.00	26669.00	136423.00	129777.00	35206.00	99020.00	109744.00	43392.00	49266.00	94883.00	108728.00	101330.00	39073.00	93402.00	52526.00	44346.00	40883.00	44029.00	91359.00	53389.00	95077.00	45221.00	35759.00	115788.00
C50 H69 N7 O4	22165.00	21403.00	14717.00	16285.00	16410.00	17620.00	21901.00	17609.00	22070.00	18554.00	23384.00	26835.00	19801.00	19167.00	24292.00	24666.00	23302.00	27307.00	17107.00	18075.00	19542.00	19650.00	26845.00	26024.00	21768.00	23635.00	19451.00	17542.00	15157.00	21217.00	18535.00	19433.00	19908.00	22717.00	20918.00	22471.00	21829.00	23576.00	18046.00	21039.00	23077.00	26461.00	17538.00	18163.00	29229.00	24711.00	22354.00	23228.00	20690.00	20484.00	20894.00	24115.00	19093.00	20799.00
C14 H2 Cl2 N2 O10 S4	22955.00	27400.00	17511.00	16250.00	18112.00	18889.00	17323.00	18234.00	20457.00	17878.00	24433.00	22003.00	18287.00	20328.00	24029.00	24815.00	23907.00	25406.00	18020.00	18227.00	16172.00	20484.00	23435.00	26074.00	23333.00	27538.00	18005.00	18351.00	16714.00	16917.00	20344.00	17640.00	16527.00	19232.00	18944.00	20970.00	21985.00	22904.00	17591.00	17451.00	19239.00	21128.00	18970.00	18824.00	23786.00	24564.00	17721.00	18980.00	20698.00	19491.00	23182.00	24191.00	17489.00	18558.00
Gal?1-4GlcNAc?-Sp	13233.00	12708.00	13717.00	11725.00	20465.00	18714.00	15756.00	11715.00	20869.00	18944.00	19090.00	19021.00	11422.00	13681.00	14231.00	15926.00	18008.00	16083.00	17681.00	17805.00	18045.00	15911.00	14846.00	12568.00	15816.00	16132.00	15552.00	15803.00	16400.00	15981.00	12416.00	11156.00	20596.00	22778.00	22362.00	20146.00	15963.00	15494.00	15117.00	15190.00	12184.00	10517.00	15699.00	16399.00	26405.00	26310.00	17448.00	19831.00	15491.00	16933.00	17581.00	16400.00	10888.00	11779.00
C37 H59 N5 O2	12499.00	13003.00	15825.00	13242.00	19301.00	17381.00	17693.00	38178.00	14731.00	17451.00	14184.00	13574.00	17251.00	17502.00	13342.00	1.00	14083.00	13146.00	18308.00	17405.00	21947.00	16138.00	12152.00	1.00	14095.00	13173.00	17826.00	18196.00	34503.00	36316.00	16444.00	17734.00	17577.00	14996.00	12298.00	17456.00	12181.00	1.00	18264.00	15805.00	17452.00	14151.00	16813.00	15454.00	11759.00	1.00	1.00	13690.00	12460.00	1.00	13673.00	12658.00	24088.00	17038.00
C3 H5 N O7	1.00	1.00	1.00	1.00	1.00	1.00	16421.00	17469.00	12115.00	1.00	1.00	1.00	1.00	1.00	1.00	15623.00	1.00	1.00	24434.00	30946.00	19424.00	19529.00	20249.00	19190.00	1.00	1.00	1.00	1.00	1.00	16320.00	1.00	1.00	24981.00	23987.00	1.00	1.00	17034.00	21031.00	12685.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	25725.00	26287.00	1.00	1.00	17105.00	21726.00	1.00	1.00
C39 H83 N2 O16 S Esi-13.033998	1.00	1.00	103632.00	1.00	141527.00	82084.00	103500.00	123979.00	22399.00	134750.00	1.00	1.00	127024.00	64943.00	1.00	1.00	76063.00	1.00	41091.00	20854.00	69434.00	71373.00	1.00	1.00	50465.00	70375.00	55715.00	103360.00	114602.00	111689.00	32171.00	20542.00	34132.00	34721.00	1.00	59518.00	1.00	1.00	36106.00	15980.00	19571.00	1.00	22909.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	126555.00	58845.00	82124.00	53823.00
3-Keto-beta-D-galactose	12115.00	12637.00	24227.00	21100.00	28708.00	25977.00	20137.00	22710.00	11675.00	13134.00	13307.00	13212.00	20388.00	19477.00	13507.00	11014.00	10799.00	10919.00	27041.00	24348.00	24996.00	25714.00	14122.00	12848.00	15942.00	10413.00	23271.00	23447.00	21707.00	20781.00	19610.00	23927.00	19992.00	23270.00	16998.00	18197.00	13836.00	12864.00	21439.00	17462.00	18511.00	21220.00	20341.00	19602.00	16161.00	14650.00	23329.00	22081.00	20476.00	21201.00	13376.00	13052.00	21555.00	24001.00
C46 H93 N2 O2	25123.00	29780.00	14136.00	12122.00	14815.00	13585.00	19196.00	16418.00	15280.00	16939.00	23493.00	23704.00	16900.00	17795.00	24980.00	28333.00	24938.00	25020.00	14227.00	14781.00	15631.00	16010.00	27195.00	25873.00	26091.00	22521.00	13136.00	12998.00	13987.00	13108.00	14991.00	14094.00	16762.00	18227.00	18707.00	18667.00	23222.00	24960.00	17887.00	17412.00	16296.00	14547.00	15865.00	15235.00	28323.00	25326.00	14785.00	16510.00	19842.00	19390.00	22105.00	24741.00	14699.00	16630.00
N3'-Acetylapramycin	21375.00	23071.00	22570.00	17050.00	13282.00	19305.00	23828.00	24792.00	1.00	13629.00	29067.00	27668.00	17319.00	19323.00	36189.00	35049.00	30582.00	26617.00	15968.00	21977.00	27527.00	26852.00	28600.00	26922.00	27862.00	27326.00	21011.00	26528.00	28139.00	29586.00	26045.00	27977.00	21332.00	22224.00	21128.00	22552.00	31382.00	28526.00	21842.00	21105.00	20001.00	21418.00	25373.00	24074.00	35444.00	36402.00	14901.00	21313.00	19579.00	18015.00	29665.00	27327.00	21713.00	21868.00
C30 H67 N9 O8	10429.00	9900.00	24271.00	24571.00	23338.00	23401.00	25875.00	24183.00	17911.00	16584.00	15089.00	16226.00	20650.00	22194.00	16922.00	14385.00	16495.00	14798.00	20636.00	21510.00	24159.00	22471.00	14762.00	11796.00	15281.00	13548.00	23551.00	21466.00	23131.00	20994.00	21560.00	20291.00	20603.00	18491.00	20702.00	20201.00	15966.00	14925.00	22664.00	23161.00	22559.00	20532.00	22702.00	22439.00	16573.00	15410.00	18640.00	19862.00	16958.00	19174.00	17499.00	15364.00	22860.00	24200.00
C7 H8 N O5 S2	23654.00	23598.00	1.00	1.00	1.00	1.00	22517.00	21687.00	24968.00	22889.00	29010.00	29110.00	20266.00	18374.00	26840.00	27225.00	28274.00	28670.00	17495.00	14791.00	16198.00	17199.00	20648.00	26015.00	30504.00	33618.00	14014.00	16028.00	20432.00	20214.00	26394.00	29870.00	11367.00	1.00	27144.00	27107.00	32796.00	30507.00	19999.00	17036.00	22228.00	23855.00	22162.00	21528.00	32517.00	29636.00	23305.00	29089.00	29918.00	23504.00	28874.00	29846.00	23732.00	20972.00
C35 H53 N2 O17 Esi-12.4959955	1.00	1.00	83465.00	39604.00	99365.00	60125.00	85891.00	144029.00	49352.00	69030.00	1.00	13561.00	91246.00	34239.00	1.00	1.00	25841.00	19601.00	104726.00	64359.00	119177.00	27529.00	13270.00	18513.00	33272.00	26128.00	110963.00	56206.00	143615.00	135025.00	38065.00	93179.00	99161.00	28816.00	21323.00	73468.00	1.00	14876.00	72810.00	49197.00	51393.00	22013.00	67713.00	16831.00	1.00	1.00	1.00	14136.00	28502.00	17154.00	47525.00	26315.00	113277.00	38323.00
9,10-Epoxy-18-hydroxystearate Esi-11.7020035	26378.00	24685.00	10725.00	10880.00	10290.00	19506.00	22564.00	19572.00	16785.00	17832.00	21981.00	20353.00	12901.00	10839.00	30912.00	31525.00	30129.00	28160.00	18902.00	15477.00	23665.00	13744.00	22942.00	25049.00	36807.00	37758.00	27016.00	16597.00	48368.00	62799.00	32761.00	42496.00	13915.00	16948.00	9966.00	14293.00	26687.00	26794.00	44129.00	36196.00	27090.00	22053.00	37061.00	27842.00	26430.00	28003.00	21448.00	21315.00	15439.00	14848.00	28655.00	30172.00	58886.00	30832.00
3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid Esi-7.1799946	58158.00	56847.00	61779.00	55973.00	64057.00	67041.00	59968.00	64003.00	62719.00	56582.00	55365.00	61211.00	57962.00	57659.00	46903.00	58514.00	46928.00	52193.00	60728.00	62817.00	43922.00	60720.00	54493.00	50492.00	52390.00	47741.00	52172.00	51519.00	61200.00	54336.00	49707.00	57573.00	64608.00	60668.00	60750.00	63100.00	58348.00	57127.00	62734.00	50042.00	52724.00	49822.00	52618.00	38763.00	20825.00	60997.00	58072.00	48943.00	60403.00	62282.00	59105.00	62600.00	50461.00	57225.00
12R,13S-epoxy-9S-hydroxy-10E-octadecenoic acid Esi-10.200005	52339.00	92238.00	21158.00	20667.00	1.00	15592.00	1.00	27945.00	1.00	26113.00	34040.00	35154.00	22805.00	1.00	66571.00	66765.00	47460.00	56977.00	34429.00	1.00	42033.00	36083.00	52142.00	46958.00	18921.00	15805.00	37417.00	38870.00	49041.00	58455.00	77864.00	79916.00	1.00	16999.00	29565.00	1.00	59286.00	45725.00	24904.00	91745.00	70814.00	66803.00	23428.00	21816.00	47481.00	43564.00	18204.00	1.00	28078.00	39866.00	15098.00	11702.00	75035.00	71269.00
2-Chloro-3-oxoadipate	34293.00	34644.00	11855.00	1.00	11944.00	1.00	16530.00	16935.00	23617.00	24275.00	35927.00	29377.00	19245.00	20655.00	30589.00	30136.00	30445.00	30889.00	17255.00	17062.00	20253.00	20094.00	33854.00	32149.00	30546.00	31778.00	15381.00	16300.00	16538.00	17535.00	22077.00	20303.00	14353.00	15533.00	20664.00	20885.00	29024.00	29417.00	21690.00	17944.00	19827.00	19785.00	18324.00	18635.00	29303.00	31638.00	19292.00	19515.00	21899.00	19525.00	27894.00	28889.00	18320.00	17302.00
Costatol	25733.00	28749.00	13290.00	14317.00	14955.00	14448.00	15595.00	19870.00	18112.00	19610.00	21197.00	21391.00	16033.00	17551.00	21421.00	20736.00	19358.00	19590.00	17635.00	17755.00	15434.00	15591.00	22084.00	25879.00	23334.00	24204.00	15465.00	15435.00	16329.00	15319.00	18609.00	16871.00	15901.00	19287.00	21268.00	18928.00	22616.00	23750.00	18920.00	20010.00	19343.00	18371.00	17265.00	18953.00	22175.00	24845.00	20501.00	19128.00	20778.00	22690.00	24223.00	22729.00	18165.00	16973.00
Nefopam	19479.00	20482.00	23928.00	21923.00	25645.00	26174.00	22350.00	22149.00	19787.00	19258.00	18315.00	16731.00	16977.00	17332.00	17576.00	21267.00	18156.00	16196.00	16847.00	17128.00	17571.00	17829.00	17331.00	18318.00	21625.00	19382.00	19308.00	20990.00	20665.00	18895.00	18829.00	21246.00	17999.00	17931.00	18248.00	18307.00	16164.00	15722.00	19032.00	17216.00	17104.00	16174.00	18591.00	17978.00	17421.00	18924.00	16184.00	19936.00	15887.00	18429.00	16434.00	17079.00	14583.00	15995.00
C10 H2 N3 O5 S2	1.00	1.00	15763.00	16817.00	17680.00	17708.00	14773.00	14694.00	1.00	22096.00	1.00	1.00	23653.00	23706.00	1.00	1.00	1.00	1.00	24273.00	23058.00	20211.00	21072.00	1.00	1.00	1.00	1.00	22526.00	21328.00	1.00	19809.00	18893.00	18766.00	20161.00	20157.00	19347.00	21064.00	1.00	1.00	26059.00	24672.00	22290.00	22118.00	19477.00	1.00	1.00	1.00	21565.00	18548.00	22414.00	20922.00	1.00	1.00	24500.00	21185.00
C3 H2 O2	1.00	1.00	13657.00	12300.00	17452.00	18616.00	14611.00	17648.00	1.00	12640.00	15110.00	13256.00	15167.00	1.00	13658.00	16384.00	19723.00	20744.00	24666.00	22628.00	26653.00	22839.00	12839.00	13259.00	15872.00	16941.00	15830.00	17174.00	12710.00	10401.00	16115.00	20468.00	23281.00	19444.00	24131.00	25925.00	12183.00	1.00	12990.00	11103.00	1.00	14586.00	17652.00	16151.00	13507.00	18315.00	27485.00	21439.00	22345.00	21533.00	16274.00	17488.00	1.00	1.00
C14 H6 N2 O16 S2 Esi-0.8390004 :1	68926.00	68713.00	32951.00	34235.00	38296.00	39649.00	38800.00	40141.00	40385.00	43098.00	59790.00	58784.00	41893.00	40858.00	62672.00	63168.00	59202.00	61378.00	38176.00	39317.00	42148.00	40767.00	62905.00	67109.00	61363.00	63833.00	41063.00	38370.00	36552.00	34068.00	37000.00	38797.00	43318.00	41216.00	45308.00	49165.00	60335.00	55685.00	36113.00	40371.00	42721.00	44991.00	40271.00	36605.00	56743.00	61853.00	41498.00	42815.00	45725.00	47870.00	64423.00	57824.00	38284.00	41268.00
C27 H49 N3 O4	1.00	1.00	1.00	1.00	1.00	1.00	22163.00	37161.00	1.00	26463.00	1.00	1.00	26589.00	1.00	1.00	1.00	1.00	1.00	34354.00	19315.00	31791.00	1.00	1.00	1.00	18303.00	1.00	36397.00	15748.00	52362.00	54645.00	1.00	32232.00	36470.00	1.00	1.00	25396.00	1.00	1.00	30326.00	16717.00	18860.00	1.00	22574.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	23661.00	1.00	43148.00	1.00
C8 H Cl3 N2 O5 S5	14902.00	14053.00	12721.00	13236.00	13981.00	14227.00	15807.00	13399.00	16855.00	12436.00	16079.00	17290.00	15642.00	17909.00	15888.00	16969.00	18149.00	15482.00	15414.00	17008.00	16374.00	13976.00	15435.00	17651.00	18994.00	13477.00	15873.00	14789.00	13565.00	13039.00	16499.00	17071.00	12539.00	18612.00	13021.00	19954.00	18858.00	20049.00	14591.00	12300.00	14170.00	15796.00	15594.00	15408.00	18572.00	22075.00	16255.00	15583.00	15429.00	14966.00	18619.00	19723.00	12940.00	16168.00
C6 H4 N O2 S3 Esi-12.990383	1.00	1.00	1.00	154929.00	1.00	131999.00	213290.00	1.00	57395.00	458414.00	52499.00	201223.00	177010.00	164288.00	234109.00	171026.00	116085.00	41836.00	191393.00	60059.00	31424.00	81898.00	147077.00	71245.00	70640.00	187172.00	134255.00	52708.00	83365.00	34723.00	138611.00	67056.00	50954.00	94021.00	1.00	46691.00	219394.00	81403.00	19683.00	252104.00	43551.00	184432.00	33647.00	214133.00	136626.00	216160.00	1.00	147199.00	125408.00	159363.00	132863.00	161115.00	275099.00	1.00
C5 H Cl3 O2 S3	16824.00	15899.00	20323.00	19135.00	22278.00	19307.00	17294.00	19527.00	17515.00	18202.00	17903.00	16995.00	21484.00	19465.00	19121.00	19212.00	17073.00	15117.00	16607.00	19360.00	19300.00	15832.00	17439.00	18481.00	15532.00	19226.00	16215.00	17237.00	16496.00	16382.00	17665.00	19155.00	14790.00	19545.00	20661.00	19712.00	16440.00	17823.00	16401.00	20591.00	20326.00	20997.00	19460.00	20863.00	19766.00	19757.00	22005.00	16378.00	21241.00	20649.00	19752.00	19390.00	18533.00	18812.00
C30 H55 N24 O4	15792.00	16105.00	20312.00	20151.00	21157.00	19490.00	21255.00	23310.00	19087.00	19870.00	17606.00	19558.00	20798.00	20935.00	20487.00	18161.00	18844.00	19105.00	21116.00	20357.00	19147.00	24027.00	19145.00	20335.00	16630.00	19683.00	22664.00	21108.00	19222.00	20631.00	16967.00	20678.00	19217.00	19989.00	25082.00	20742.00	18667.00	19787.00	17784.00	21931.00	21077.00	18486.00	20521.00	20869.00	18774.00	19302.00	21292.00	23225.00	19287.00	17089.00	22329.00	19968.00	20012.00	21643.00
C22 H23 N7 O4	13337.00	14228.00	14203.00	15190.00	15166.00	14983.00	14749.00	13221.00	15632.00	14603.00	18892.00	17894.00	17126.00	16871.00	17355.00	16443.00	16903.00	18303.00	16640.00	15221.00	12775.00	14936.00	13732.00	14727.00	14464.00	16183.00	20068.00	19971.00	15286.00	14953.00	14269.00	16890.00	20913.00	20233.00	20131.00	20935.00	17781.00	15878.00	17471.00	16463.00	15893.00	16578.00	19027.00	19017.00	25789.00	24630.00	18682.00	18607.00	17867.00	17091.00	15738.00	16010.00	18530.00	17329.00
C47 H91 N4 O2	25250.00	27794.00	1.00	1.00	12515.00	12160.00	11748.00	12229.00	14445.00	13652.00	23433.00	24674.00	12592.00	14044.00	22631.00	26709.00	22437.00	25402.00	12256.00	11126.00	13456.00	12377.00	25348.00	26140.00	25653.00	26021.00	11608.00	11650.00	11702.00	11839.00	14382.00	14347.00	12039.00	1.00	18113.00	17130.00	23990.00	24876.00	10911.00	12547.00	14516.00	13626.00	11953.00	13899.00	27199.00	23957.00	14142.00	14482.00	14859.00	15833.00	24813.00	27630.00	12551.00	12933.00
C29 H47 N3 O9 Esi-9.800997	14719.00	14926.00	1.00	1.00	15122.00	19285.00	15032.00	14620.00	1.00	10008.00	17318.00	18315.00	12465.00	12346.00	22861.00	23530.00	10383.00	13359.00	15748.00	16253.00	16041.00	13258.00	13994.00	13933.00	17082.00	18442.00	14729.00	13549.00	14906.00	16139.00	16065.00	18755.00	13606.00	12172.00	13104.00	15686.00	20144.00	18606.00	11287.00	12054.00	11708.00	11636.00	10355.00	1.00	26188.00	26180.00	11855.00	10923.00	12768.00	13264.00	20967.00	20464.00	15086.00	12519.00
C47 H80 N4 S2 Esi-13.4509945 :1	21648.00	26135.00	14775.00	55434.00	55928.00	38532.00	59352.00	25942.00	1.00	61036.00	23250.00	24302.00	57513.00	27172.00	28639.00	34960.00	34064.00	31606.00	26518.00	63644.00	1.00	53966.00	36136.00	15723.00	33608.00	22255.00	1.00	47593.00	48114.00	239837.00	1.00	22195.00	112377.00	22583.00	23730.00	16075.00	1.00	26394.00	80143.00	57780.00	56116.00	37948.00	91335.00	34117.00	16535.00	14507.00	25204.00	16326.00	12912.00	15691.00	15231.00	43434.00	72983.00	35916.00
(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid Esi-10.953002	13629.00	18496.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	25785.00	1.00	1.00	29781.00	30466.00	11917.00	27130.00	1.00	1.00	23960.00	1.00	30376.00	14050.00	24837.00	26549.00	34065.00	27592.00	34191.00	34112.00	27745.00	29961.00	1.00	1.00	1.00	1.00	34404.00	40144.00	17230.00	38448.00	54663.00	21641.00	66163.00	60590.00	16300.00	14292.00	1.00	1.00	13177.00	27984.00	36937.00	15459.00	22870.00	53358.00
C5 H9 Cl O3 S	168494.00	169842.00	156077.00	146182.00	57583.00	165785.00	159298.00	148886.00	151042.00	162833.00	176562.00	135891.00	146142.00	154297.00	153825.00	161491.00	148346.00	154929.00	154532.00	160627.00	154344.00	153045.00	157477.00	150610.00	141201.00	153207.00	156099.00	148771.00	149302.00	154276.00	152790.00	145335.00	156067.00	1.00	127660.00	151858.00	147058.00	136569.00	171360.00	158489.00	142818.00	1.00	160736.00	163314.00	158679.00	151314.00	1.00	141314.00	144965.00	137780.00	140369.00	149654.00	151632.00	148598.00
Erosone	1.00	1.00	1.00	1.00	11822.00	12173.00	9445.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	16884.00	15140.00	1.00	9290.00	21888.00	22470.00	1.00	1.00	11135.00	11773.00	1.00	1.00	17534.00	16992.00	1.00	1.00	1.00	1.00	11724.00	11153.00	11668.00	10219.00	13219.00	14745.00	1.00	1.00	13734.00	13310.00	1.00	10439.00	14804.00	14139.00	1.00	1.00	10127.00	1.00	1.00	1.00
C6 H18 N4 O7	9197.00	10001.00	1.00	1.00	10485.00	9325.00	10892.00	12643.00	16917.00	17435.00	23463.00	23079.00	8186.00	1.00	12122.00	12387.00	13826.00	11835.00	13543.00	11940.00	9446.00	10175.00	14472.00	15574.00	13883.00	14483.00	14934.00	14164.00	10305.00	10976.00	1.00	9260.00	11080.00	10341.00	13411.00	12854.00	13283.00	13939.00	17849.00	16352.00	13348.00	10642.00	9780.00	10225.00	10827.00	12772.00	14025.00	14777.00	13998.00	15753.00	22687.00	19168.00	18052.00	19694.00
Penicillamine Esi-1.4599994	32832.00	36141.00	28818.00	25415.00	31647.00	32214.00	27359.00	1.00	29452.00	29139.00	43669.00	43149.00	32380.00	33539.00	25274.00	1.00	1.00	26257.00	26388.00	26523.00	15396.00	1.00	24886.00	1.00	26834.00	27447.00	33830.00	30177.00	24775.00	27408.00	24043.00	1.00	31255.00	29721.00	25909.00	23792.00	1.00	27225.00	29754.00	26299.00	32521.00	28609.00	27158.00	26662.00	25756.00	1.00	27944.00	29920.00	29498.00	27062.00	30917.00	30403.00	25160.00	27217.00
Plantagoside	10942.00	15717.00	1.00	1.00	10530.00	10523.00	1.00	1.00	15326.00	12492.00	1.00	1.00	12255.00	12139.00	1.00	1.00	16790.00	16080.00	1.00	1.00	14679.00	13250.00	10946.00	9658.00	11544.00	13554.00	1.00	1.00	22336.00	22976.00	1.00	1.00	1.00	1.00	12602.00	12398.00	17801.00	20062.00	11040.00	12032.00	10246.00	11148.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C13 H17 O4 Esi-13.755002	1.00	1.00	15406.00	1.00	21466.00	15756.00	20091.00	44479.00	13168.00	16693.00	1.00	1.00	18582.00	1.00	1.00	1.00	1.00	1.00	20982.00	14262.00	15784.00	1.00	1.00	1.00	1.00	1.00	17503.00	16609.00	22304.00	18969.00	1.00	14174.00	20917.00	1.00	1.00	17071.00	1.00	1.00	16647.00	11804.00	1.00	1.00	16388.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10622.00	1.00	22430.00	9591.00
C19 H18 N5 O15 S	12437.00	12814.00	19562.00	17228.00	13368.00	12031.00	19210.00	21273.00	16998.00	15684.00	14979.00	12420.00	13759.00	13044.00	1.00	14104.00	19769.00	19601.00	1.00	1.00	21388.00	21288.00	17757.00	15386.00	12413.00	14815.00	16942.00	16547.00	21934.00	22755.00	24636.00	24252.00	19016.00	19744.00	1.00	12146.00	21240.00	18846.00	18969.00	20370.00	20705.00	19256.00	20328.00	20065.00	22618.00	21287.00	1.00	1.00	16031.00	15377.00	21530.00	19947.00	20269.00	21451.00
C16 H35 Cl N O2 S	16564.00	22599.00	26940.00	21841.00	14576.00	18295.00	27041.00	19483.00	20858.00	11801.00	20899.00	20013.00	12187.00	18809.00	22110.00	19384.00	27712.00	24694.00	9619.00	21335.00	19389.00	14708.00	16333.00	22390.00	20340.00	14883.00	12099.00	17430.00	15937.00	21468.00	24359.00	17123.00	14689.00	23553.00	20747.00	22845.00	15352.00	11639.00	19424.00	12522.00	17456.00	13820.00	20391.00	25057.00	27533.00	32644.00	27257.00	16574.00	22103.00	16742.00	19172.00	23529.00	19094.00	22529.00
C18 H37 N13	18603.00	14380.00	18944.00	24598.00	27554.00	25198.00	21367.00	23781.00	24792.00	24412.00	19832.00	20221.00	21951.00	19790.00	14833.00	16686.00	20008.00	18353.00	21574.00	22655.00	21195.00	22743.00	15455.00	19078.00	19981.00	17918.00	20472.00	23241.00	32548.00	14383.00	22049.00	21150.00	26536.00	21500.00	20335.00	19475.00	16030.00	16355.00	23874.00	19225.00	22495.00	22595.00	16491.00	19020.00	17815.00	16159.00	16988.00	18466.00	21041.00	17839.00	26925.00	22182.00	21682.00	25626.00
Obliquine Esi-11.458006 :1	52303.00	50559.00	1.00	1.00	1.00	1.00	1.00	1.00	28708.00	30553.00	39452.00	35980.00	1.00	1.00	59782.00	59340.00	49672.00	52307.00	32047.00	28215.00	48361.00	36404.00	51285.00	52171.00	69140.00	67086.00	53082.00	41089.00	68315.00	68022.00	45829.00	49725.00	1.00	1.00	1.00	1.00	48966.00	47210.00	85240.00	84342.00	77280.00	67515.00	90995.00	77652.00	32031.00	27965.00	1.00	1.00	22764.00	21006.00	39018.00	36226.00	70430.00	51536.00
C33 H71 N16 O	20975.00	19761.00	19152.00	16863.00	19574.00	20003.00	19302.00	18928.00	19289.00	19893.00	18969.00	25937.00	20055.00	18896.00	22881.00	21287.00	19698.00	19175.00	19586.00	20161.00	21014.00	19448.00	21972.00	21899.00	21484.00	23257.00	18868.00	20374.00	20142.00	17880.00	21793.00	23000.00	19781.00	21238.00	24153.00	22961.00	21379.00	21398.00	19212.00	20220.00	20238.00	21072.00	19684.00	18685.00	22681.00	23572.00	19197.00	21077.00	18875.00	21519.00	22677.00	23545.00	21209.00	20495.00
9,12-dioxo-dodecanoic acid Esi-6.6239967	13845.00	16999.00	1.00	1.00	14843.00	17263.00	1.00	1.00	1.00	1.00	1.00	11289.00	1.00	18491.00	25818.00	22509.00	12355.00	13991.00	15910.00	22703.00	13590.00	26792.00	20882.00	13800.00	1.00	14147.00	1.00	14912.00	13462.00	10484.00	14934.00	10993.00	1.00	1.00	13735.00	12526.00	16686.00	19670.00	19493.00	24436.00	15842.00	20120.00	14839.00	13955.00	27983.00	30914.00	1.00	1.00	27560.00	19119.00	1.00	9618.00	21888.00	17852.00
C50 H86 N4 S2 Esi-13.974999	1.00	1.00	43014.00	32579.00	188626.00	51869.00	77110.00	230047.00	90277.00	47291.00	9927.00	11350.00	70045.00	35322.00	13260.00	64881.00	68327.00	23982.00	103983.00	73256.00	146088.00	79832.00	1.00	1.00	1.00	1.00	259738.00	106388.00	189606.00	211489.00	139410.00	102656.00	222434.00	1.00	1.00	49954.00	1.00	1.00	94749.00	30381.00	35279.00	24847.00	70386.00	1.00	57178.00	46823.00	1.00	1.00	1.00	19058.00	77744.00	17159.00	489804.00	27827.00
C30 H59 N6 O8 S Esi-12.6 :1	1.00	1.00	151749.00	83421.00	180680.00	108816.00	148526.00	475576.00	87241.00	159137.00	1.00	1.00	180194.00	66048.00	1.00	1.00	71234.00	48230.00	244058.00	107377.00	305324.00	63552.00	1.00	1.00	72400.00	44425.00	354022.00	127711.00	517117.00	565542.00	112348.00	349940.00	245370.00	57838.00	51855.00	178231.00	1.00	18340.00	206261.00	105947.00	109006.00	36172.00	159716.00	38558.00	1.00	1.00	17898.00	23668.00	46248.00	29176.00	71563.00	47037.00	402050.00	73218.00
Pseudouridine Esi-1.2419997	36370.00	37051.00	41153.00	40411.00	30907.00	31283.00	33140.00	34676.00	31165.00	30969.00	30505.00	28752.00	31486.00	30917.00	41189.00	40856.00	37437.00	38803.00	35621.00	35510.00	36498.00	34503.00	46045.00	44794.00	35566.00	35310.00	51707.00	49339.00	47735.00	41279.00	43901.00	44383.00	33453.00	32456.00	28777.00	31087.00	37882.00	36581.00	39496.00	38789.00	43419.00	44429.00	50316.00	46907.00	42603.00	47138.00	45339.00	45711.00	37692.00	37557.00	41028.00	42544.00	37322.00	35171.00
C3 H6 O2	11552.00	13426.00	16194.00	14688.00	16547.00	15550.00	13553.00	18226.00	15672.00	13559.00	15226.00	12547.00	16121.00	13696.00	11427.00	14582.00	13150.00	12867.00	19645.00	16369.00	16572.00	16785.00	13391.00	13064.00	14707.00	13573.00	16179.00	18870.00	17415.00	16688.00	17577.00	18697.00	16068.00	15334.00	14443.00	13751.00	13275.00	14242.00	14615.00	16163.00	15402.00	17007.00	16220.00	16832.00	13612.00	15116.00	18434.00	16173.00	14397.00	16494.00	13341.00	15252.00	17371.00	17911.00
2-oxo-octadecanoic acid	37082.00	12357.00	14862.00	11147.00	12523.00	14181.00	14079.00	33168.00	15463.00	16007.00	35638.00	1.00	13979.00	14175.00	24661.00	15385.00	15888.00	13974.00	16402.00	57705.00	87978.00	46295.00	13056.00	13502.00	26596.00	15970.00	75587.00	22451.00	129307.00	74995.00	52507.00	19825.00	33761.00	1.00	34512.00	12314.00	15287.00	21090.00	79440.00	53976.00	55556.00	11652.00	81261.00	20616.00	41137.00	48705.00	20987.00	19818.00	26145.00	36854.00	14097.00	18952.00	128549.00	17600.00
Ala Ala His	9411.00	1.00	9478.00	9795.00	15420.00	16170.00	15356.00	14025.00	22193.00	18581.00	16464.00	17735.00	9995.00	10816.00	9418.00	10113.00	12186.00	13497.00	14719.00	16822.00	14870.00	16040.00	10851.00	12079.00	13931.00	14966.00	22257.00	21265.00	12089.00	10912.00	10509.00	10509.00	13446.00	14206.00	13071.00	13172.00	12735.00	12360.00	14907.00	16846.00	13747.00	14169.00	11929.00	13739.00	10677.00	1.00	22364.00	21861.00	19388.00	22485.00	21077.00	19651.00	21426.00	19238.00
C9 H5 Cl3 O2 S5	18920.00	18936.00	19766.00	18099.00	18034.00	17562.00	20542.00	20645.00	17222.00	15719.00	22135.00	21982.00	19303.00	18332.00	19747.00	20454.00	18574.00	19542.00	18247.00	17516.00	18450.00	20197.00	22492.00	18475.00	22467.00	20203.00	17905.00	17282.00	17712.00	17059.00	22284.00	18121.00	17577.00	19452.00	18742.00	18728.00	22731.00	18958.00	18272.00	18910.00	19719.00	19760.00	19705.00	16758.00	19930.00	19751.00	19433.00	21696.00	18807.00	21561.00	20494.00	22676.00	18262.00	21567.00
C41 H77 N12 O	28493.00	27842.00	16860.00	17277.00	16232.00	17314.00	19215.00	14190.00	21146.00	20535.00	25792.00	25431.00	17157.00	20765.00	25888.00	26111.00	23684.00	25383.00	17121.00	19817.00	22054.00	20866.00	27819.00	30652.00	27165.00	27945.00	18321.00	22972.00	19076.00	19236.00	21648.00	20898.00	23534.00	23962.00	21619.00	23874.00	29606.00	26212.00	18307.00	22586.00	21543.00	19691.00	20201.00	17946.00	23213.00	29577.00	22104.00	23231.00	19264.00	19417.00	33015.00	25967.00	20302.00	19001.00
C13 H2 N2 O15 S	20880.00	20657.00	13583.00	15723.00	15711.00	15167.00	18143.00	18394.00	15996.00	16568.00	22219.00	20145.00	17441.00	16829.00	21361.00	20301.00	19890.00	22072.00	14888.00	17875.00	15741.00	17102.00	22982.00	22755.00	22946.00	21347.00	16247.00	16737.00	16440.00	17981.00	16927.00	17444.00	18919.00	17553.00	18090.00	18389.00	22089.00	19643.00	17705.00	17090.00	17303.00	18070.00	16176.00	16902.00	18967.00	24038.00	16659.00	16934.00	17708.00	18528.00	22030.00	22606.00	15074.00	17021.00
Chinomethionat	24982.00	22218.00	22874.00	25758.00	24730.00	22799.00	22365.00	24940.00	24635.00	23251.00	25833.00	1.00	20932.00	20233.00	1.00	1.00	19766.00	1.00	18536.00	18542.00	20273.00	19982.00	19653.00	19163.00	18716.00	20013.00	1.00	1.00	20382.00	21342.00	1.00	18895.00	17938.00	20220.00	21349.00	1.00	1.00	19129.00	24525.00	20539.00	19688.00	19912.00	1.00	19569.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	20287.00
Thyrotropin releasing hormone Esi-11.128999	12418.00	10977.00	1.00	13261.00	14850.00	13197.00	12769.00	14683.00	13312.00	11408.00	1.00	1.00	11382.00	11448.00	12260.00	12003.00	1.00	13239.00	13237.00	14541.00	14629.00	1.00	1.00	1.00	1.00	12240.00	12771.00	11174.00	14978.00	15927.00	1.00	12383.00	18661.00	1.00	1.00	12331.00	12488.00	12963.00	13703.00	1.00	11517.00	11395.00	13751.00	13796.00	12517.00	12320.00	10849.00	1.00	11342.00	12386.00	10282.00	1.00	12813.00	10379.00
C28 H43 N10 O6 Esi-6.6480017	44312.00	49521.00	20687.00	23636.00	33144.00	34140.00	28553.00	29744.00	21529.00	20561.00	47040.00	38341.00	27622.00	32469.00	77351.00	81086.00	36104.00	36292.00	34892.00	39028.00	36142.00	36933.00	47872.00	50511.00	50524.00	54255.00	25202.00	27703.00	29536.00	29813.00	55908.00	58003.00	29440.00	34403.00	39755.00	39006.00	63251.00	62006.00	32176.00	32291.00	30724.00	30272.00	29928.00	29740.00	75826.00	77316.00	26863.00	25885.00	41295.00	44804.00	79905.00	80655.00	42569.00	42783.00
C29 H49 N2 O15 Esi-9.493004	14749.00	11389.00	1.00	1.00	12344.00	11858.00	12365.00	13653.00	9581.00	1.00	15846.00	15253.00	10728.00	11253.00	21580.00	23597.00	13346.00	13808.00	14688.00	13853.00	16158.00	16183.00	16014.00	17149.00	20009.00	20710.00	11707.00	10973.00	14704.00	15500.00	16856.00	17609.00	12865.00	11642.00	13107.00	13370.00	17843.00	16319.00	13048.00	11754.00	12646.00	11389.00	13681.00	11376.00	17512.00	18506.00	11600.00	10975.00	11726.00	11573.00	19583.00	20126.00	14462.00	12284.00
4-Methyl-5-nitrocatechol	14843.00	14673.00	20071.00	19993.00	17380.00	17764.00	14115.00	15684.00	11669.00	13589.00	16207.00	17238.00	1.00	1.00	1.00	1.00	16181.00	17561.00	13019.00	14208.00	19797.00	19930.00	1.00	1.00	12087.00	11988.00	11696.00	10517.00	11468.00	11917.00	23662.00	25079.00	1.00	12127.00	13882.00	13972.00	1.00	1.00	16362.00	16841.00	1.00	1.00	17742.00	13705.00	22640.00	22563.00	18537.00	19449.00	16334.00	16269.00	21310.00	20972.00	18222.00	17037.00
C6 H14 N3 S3	17317.00	17572.00	20280.00	21716.00	19818.00	19110.00	17582.00	19891.00	16313.00	17496.00	14061.00	13667.00	13151.00	14038.00	17004.00	19598.00	12729.00	14945.00	14514.00	14950.00	20371.00	18960.00	13432.00	14014.00	14290.00	12939.00	17552.00	15860.00	13943.00	16615.00	19457.00	19647.00	17477.00	19737.00	16887.00	15460.00	16747.00	16752.00	15999.00	15149.00	21348.00	22803.00	18427.00	18029.00	17251.00	17209.00	14032.00	13932.00	15445.00	17494.00	13916.00	16169.00	18598.00	20069.00
C16 H21 N6 O	69451.00	70932.00	72539.00	73345.00	72875.00	72623.00	74091.00	74005.00	70497.00	72737.00	73917.00	74084.00	71520.00	69746.00	67207.00	65233.00	65513.00	67205.00	67398.00	67152.00	72194.00	70591.00	68130.00	67600.00	69505.00	69987.00	77579.00	68658.00	72772.00	73501.00	67175.00	68323.00	67488.00	68163.00	69942.00	69628.00	69168.00	65353.00	71523.00	67627.00	69518.00	66576.00	68385.00	66939.00	69148.00	69691.00	67779.00	63243.00	67708.00	67212.00	71862.00	67828.00	76804.00	66925.00
Pyruvic acid Esi-1.2630004	14996.00	16737.00	17524.00	20218.00	24777.00	23164.00	22341.00	23788.00	16531.00	18504.00	20569.00	19992.00	16143.00	14336.00	15344.00	14173.00	18746.00	18368.00	15112.00	17509.00	23188.00	17399.00	16476.00	15201.00	20376.00	17123.00	18386.00	21144.00	13302.00	13828.00	11312.00	13386.00	18209.00	16562.00	17460.00	20781.00	10693.00	13094.00	14746.00	12660.00	12512.00	11527.00	13830.00	13962.00	15514.00	15888.00	26696.00	22988.00	22662.00	23150.00	18225.00	14679.00	21784.00	19340.00
C12:4n-2,4,8,10	1.00	1.00	40200.00	17763.00	21700.00	20633.00	19120.00	24766.00	14934.00	19547.00	19350.00	15018.00	22171.00	40488.00	25410.00	32655.00	26888.00	26019.00	27088.00	20424.00	28137.00	23252.00	22535.00	20159.00	20890.00	22732.00	25003.00	19888.00	29328.00	26858.00	24579.00	25724.00	23421.00	24662.00	20599.00	21145.00	19761.00	27550.00	27893.00	19939.00	23239.00	23080.00	20184.00	18365.00	20877.00	20313.00	24844.00	28205.00	19501.00	26049.00	20784.00	19697.00	20466.00	18529.00
C12 H2 O5 S	341405.00	365383.00	10757.00	205707.00	223028.00	12331.00	348740.00	380562.00	426144.00	435500.00	423222.00	419964.00	383210.00	396839.00	401327.00	399064.00	420412.00	418690.00	361602.00	371423.00	353691.00	353933.00	388746.00	392648.00	484253.00	488328.00	333562.00	325500.00	355135.00	361628.00	452288.00	454118.00	290808.00	304838.00	459337.00	483056.00	459423.00	462477.00	439613.00	423207.00	393236.00	418867.00	387940.00	391897.00	436188.00	440631.00	418493.00	435076.00	443660.00	430788.00	409915.00	411478.00	416526.00	415635.00
5,7,4',5'-Tetrahydroxy-3,6,2'-trimethoxyflavone	20989.00	18834.00	1.00	1.00	10585.00	15118.00	1.00	1.00	12113.00	9637.00	1.00	1.00	15316.00	15345.00	1.00	1.00	21699.00	22969.00	1.00	1.00	22968.00	19478.00	16515.00	15408.00	9615.00	9659.00	1.00	1.00	28186.00	24633.00	1.00	1.00	1.00	1.00	17604.00	18042.00	20842.00	24428.00	16964.00	18046.00	16641.00	1.00	1.00	1.00	1.00	1.00	1.00	16784.00	1.00	1.00	8862.00	1.00	1.00	1.00
Cloxyquin	17199.00	20741.00	13770.00	17846.00	14586.00	18921.00	16529.00	18268.00	18450.00	19511.00	24775.00	22322.00	20028.00	18598.00	13242.00	13269.00	23901.00	20926.00	16482.00	13614.00	19081.00	17371.00	15282.00	13264.00	20084.00	23214.00	23208.00	22214.00	21583.00	18674.00	16432.00	16249.00	21312.00	23263.00	17605.00	15864.00	13924.00	16937.00	16530.00	15234.00	21077.00	18014.00	15074.00	16140.00	18811.00	18319.00	16732.00	18646.00	20808.00	18482.00	17135.00	21278.00	17540.00	18534.00
C16 H32 N3 O17 Esi-11.450995	49917.00	53881.00	1.00	1.00	1.00	1.00	1.00	1.00	27904.00	30202.00	37879.00	37431.00	1.00	1.00	57595.00	54663.00	50818.00	49554.00	32260.00	27399.00	45812.00	36602.00	54049.00	53020.00	65352.00	66484.00	47181.00	42784.00	59967.00	58123.00	46007.00	48842.00	1.00	1.00	1.00	1.00	51865.00	48640.00	81581.00	79424.00	73694.00	68002.00	80968.00	75077.00	30591.00	31982.00	1.00	1.00	23091.00	20648.00	41068.00	38959.00	64088.00	50774.00
C4 H3 Cl3 O S2	16786.00	16587.00	18353.00	20841.00	18813.00	18806.00	19817.00	20722.00	17071.00	17949.00	18729.00	17468.00	15749.00	19007.00	19556.00	16631.00	17034.00	18714.00	18280.00	16997.00	18875.00	17869.00	18792.00	19177.00	17635.00	17114.00	17931.00	19521.00	21019.00	20566.00	18319.00	18666.00	19293.00	18435.00	18355.00	18381.00	16949.00	17010.00	17182.00	19208.00	20488.00	17816.00	20547.00	18302.00	18646.00	17911.00	21918.00	23139.00	20826.00	17959.00	19764.00	22782.00	17702.00	19361.00
C29 H45 N26 O2	11574.00	10675.00	24969.00	21647.00	21992.00	23826.00	23405.00	25791.00	19362.00	20656.00	14432.00	13201.00	20947.00	21902.00	17459.00	16790.00	17276.00	15366.00	23573.00	25143.00	23564.00	23360.00	15227.00	15971.00	15693.00	18389.00	24973.00	23387.00	24327.00	24728.00	24430.00	25140.00	23581.00	23019.00	23393.00	21449.00	18699.00	17620.00	25226.00	24791.00	23969.00	23740.00	26139.00	25526.00	18839.00	17624.00	23157.00	21505.00	24540.00	20058.00	18779.00	16441.00	25608.00	26969.00
C5 H Cl N2 S Esi-0.86299986	216604.00	215915.00	23294.00	21276.00	29506.00	29041.00	44464.00	44083.00	89060.00	89618.00	192695.00	190473.00	69878.00	64504.00	196854.00	187511.00	176213.00	176072.00	49760.00	49614.00	55403.00	53902.00	207437.00	200797.00	189865.00	192686.00	47164.00	48759.00	60919.00	60166.00	73633.00	69973.00	40477.00	45233.00	79910.00	79888.00	168041.00	169653.00	54791.00	61199.00	68539.00	68339.00	63765.00	65842.00	182901.00	177946.00	67532.00	67480.00	66702.00	69470.00	164222.00	161444.00	57944.00	56960.00
C24 H51 N9 O15	1.00	1.00	99892.00	43747.00	115442.00	69461.00	99553.00	195270.00	55466.00	80926.00	1.00	13313.00	110113.00	37047.00	1.00	1.00	27108.00	16987.00	128869.00	74904.00	148231.00	31303.00	14379.00	16369.00	36066.00	29069.00	143003.00	69106.00	207177.00	201000.00	43239.00	124434.00	129734.00	33131.00	23563.00	90779.00	1.00	16196.00	85576.00	53588.00	56508.00	23157.00	77033.00	21601.00	1.00	1.00	12449.00	13668.00	32187.00	17660.00	58416.00	27917.00	143097.00	43002.00
Formimidoyl-fortimicin A Esi-10.904003	1.00	1.00	1.00	11997.00	1.00	1.00	1.00	1.00	12926.00	11657.00	1.00	1.00	1.00	1.00	17311.00	17595.00	20581.00	20240.00	1.00	1.00	1.00	1.00	13638.00	14211.00	14928.00	15932.00	17908.00	15469.00	11814.00	1.00	15077.00	14275.00	1.00	1.00	1.00	1.00	1.00	1.00	14943.00	14060.00	14515.00	15165.00	14934.00	13950.00	1.00	1.00	1.00	1.00	1.00	1.00	15594.00	15500.00	1.00	1.00
C38 H83 N13 O	17285.00	16439.00	11666.00	12287.00	12532.00	12983.00	13692.00	13713.00	11786.00	11895.00	16578.00	16163.00	13365.00	14767.00	18042.00	17809.00	17600.00	16727.00	12699.00	13059.00	12942.00	14123.00	18770.00	17043.00	17198.00	15993.00	14036.00	14010.00	12542.00	12038.00	12866.00	13389.00	14011.00	12783.00	15169.00	15583.00	15727.00	17674.00	14114.00	12164.00	15323.00	14349.00	11719.00	12879.00	15225.00	17356.00	13868.00	14002.00	14018.00	14138.00	18760.00	17536.00	12848.00	12744.00
C37 H73 N10 O11	21473.00	24205.00	15860.00	16138.00	18245.00	18632.00	19037.00	19572.00	18815.00	17512.00	21383.00	23308.00	19791.00	19924.00	23600.00	24893.00	26810.00	26023.00	16503.00	18043.00	20383.00	18691.00	25160.00	25595.00	22542.00	25399.00	17316.00	19586.00	17057.00	15755.00	19403.00	16113.00	18978.00	19200.00	21364.00	22885.00	22223.00	20802.00	18738.00	20750.00	18619.00	19722.00	18956.00	18295.00	25160.00	23833.00	17626.00	21630.00	17515.00	19676.00	26512.00	24664.00	15954.00	19524.00
C41 H83	20401.00	21320.00	25946.00	23738.00	25595.00	26615.00	27337.00	24684.00	24206.00	27015.00	26452.00	26823.00	23976.00	24392.00	23005.00	24178.00	18890.00	20219.00	24422.00	28041.00	24969.00	28108.00	26070.00	21951.00	24053.00	18633.00	24500.00	25274.00	25241.00	23766.00	28763.00	25899.00	25751.00	29096.00	25296.00	28836.00	23722.00	23880.00	28942.00	26749.00	26189.00	25101.00	25265.00	27025.00	25793.00	21577.00	23867.00	28953.00	27061.00	27199.00	25544.00	25523.00	25197.00	30131.00
C28 H61 Cl2 N18 S3	11614.00	13492.00	24295.00	24361.00	23685.00	23596.00	26270.00	24523.00	21712.00	17759.00	16669.00	13545.00	20110.00	22701.00	15449.00	17925.00	13465.00	14865.00	22353.00	22654.00	23597.00	22406.00	15757.00	15492.00	16292.00	17033.00	23685.00	23476.00	23389.00	22926.00	23564.00	23646.00	24426.00	23258.00	22171.00	22494.00	17119.00	17663.00	24355.00	26472.00	24451.00	21424.00	25073.00	23967.00	15849.00	17593.00	19819.00	23980.00	20156.00	20598.00	18459.00	16988.00	24395.00	25981.00
C6 H11 O4 S5	1.00	1.00	1.00	1.00	9308.00	8401.00	14548.00	23450.00	13689.00	14987.00	1.00	1.00	11719.00	11565.00	1.00	1.00	1.00	1.00	18769.00	17559.00	18268.00	17132.00	1.00	1.00	1.00	1.00	20160.00	16883.00	15659.00	16728.00	16266.00	16632.00	11711.00	13514.00	15677.00	17739.00	1.00	1.00	18970.00	18138.00	12627.00	13623.00	12838.00	15001.00	1.00	1.00	17505.00	16795.00	13684.00	15537.00	11274.00	1.00	21297.00	18216.00
15-hydroxy stearic acid Esi-12.255004	12244.00	13470.00	11163.00	13380.00	15722.00	11418.00	24236.00	22135.00	20831.00	23512.00	11569.00	19669.00	18357.00	13496.00	14648.00	12355.00	11723.00	19541.00	58985.00	11861.00	28332.00	23304.00	10994.00	19640.00	79173.00	20664.00	19705.00	15764.00	33360.00	39064.00	8137.00	17354.00	15655.00	10301.00	28283.00	9340.00	16666.00	8114.00	28578.00	15800.00	18330.00	14126.00	17380.00	19050.00	16016.00	66343.00	15066.00	17934.00	19133.00	27994.00	13828.00	50750.00	18907.00	15824.00
(3R)-3-isopropenyl-6-oxoheptanoic acid Esi-7.1210017	50017.00	25188.00	50229.00	84442.00	40262.00	21533.00	34070.00	50279.00	37355.00	42090.00	41000.00	43778.00	52549.00	52886.00	74043.00	62105.00	91167.00	59927.00	42120.00	34143.00	72341.00	64561.00	41332.00	47404.00	65659.00	95994.00	60145.00	54005.00	58343.00	57092.00	78420.00	94092.00	34881.00	42901.00	49955.00	45877.00	48607.00	57442.00	79131.00	50252.00	52311.00	50166.00	77237.00	57799.00	122899.00	56483.00	31799.00	42173.00	38139.00	47767.00	38829.00	55609.00	61891.00	49865.00
C15 H16 N2 O12 S2	11405.00	11134.00	14023.00	13755.00	15832.00	15743.00	10582.00	1.00	11942.00	11076.00	1.00	1.00	1.00	1.00	13855.00	17029.00	16426.00	16225.00	17681.00	15779.00	17232.00	18246.00	18561.00	17139.00	1.00	1.00	12761.00	11662.00	23929.00	22667.00	19913.00	17880.00	19642.00	18910.00	1.00	1.00	20751.00	21620.00	18020.00	17714.00	12857.00	13751.00	15586.00	12488.00	19212.00	19138.00	19254.00	15051.00	16995.00	16197.00	15153.00	14297.00	15378.00	17453.00
3,4-Dimethylbenzoic acid	14540.00	16095.00	1.00	1.00	17122.00	19184.00	21494.00	21246.00	19014.00	14703.00	17976.00	14078.00	11689.00	12072.00	13772.00	13183.00	1.00	1.00	22524.00	22943.00	13140.00	15100.00	12170.00	12931.00	12915.00	15853.00	21899.00	21625.00	16495.00	17881.00	14712.00	16099.00	20991.00	20488.00	19452.00	18658.00	16175.00	13834.00	14394.00	13603.00	16345.00	15594.00	11734.00	13213.00	14574.00	13384.00	19275.00	18639.00	19482.00	22345.00	16452.00	15597.00	18886.00	18848.00
Ripazepam	12514.00	11033.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	16043.00	20263.00	29799.00	11266.00	12632.00	13364.00	1.00	1.00	15347.00	13700.00	1.00	1.00	1.00	12276.00	10449.00	20187.00	16907.00	14652.00	1.00	11867.00	12311.00	14632.00	11640.00	12688.00	13502.00	15218.00	12510.00	14971.00	13364.00	12574.00	12747.00	11568.00	9836.00	10820.00	13359.00	15876.00	10050.00	1.00	1.00	1.00
C5 H6 N3 O5	26993.00	28523.00	18559.00	19887.00	13283.00	18142.00	14713.00	19455.00	16119.00	1.00	23607.00	23779.00	28071.00	24864.00	24343.00	26740.00	35888.00	31449.00	20591.00	20044.00	26432.00	23846.00	25234.00	28970.00	26592.00	25247.00	23344.00	21246.00	23747.00	24368.00	19104.00	15988.00	21624.00	22070.00	16997.00	17935.00	20424.00	22299.00	17600.00	16265.00	30178.00	29561.00	26199.00	28951.00	27841.00	30371.00	23295.00	23707.00	22578.00	20647.00	25109.00	28515.00	23304.00	19690.00
Idebenone Metabolite (Benzenebutanoic acid, 2-hydroxy-3,4-dimethoxy-6-methyl-5-(sulfooxy)-)	17895.00	15708.00	16095.00	15287.00	14830.00	16536.00	11800.00	12521.00	18973.00	15762.00	16554.00	16804.00	16030.00	17589.00	10667.00	10650.00	15205.00	18424.00	12165.00	11622.00	14096.00	14357.00	10504.00	11256.00	19336.00	17928.00	15876.00	16869.00	18412.00	18762.00	15767.00	16913.00	20039.00	20867.00	15884.00	16804.00	20550.00	22243.00	14893.00	15185.00	20579.00	19845.00	15682.00	15659.00	22304.00	24860.00	15830.00	14997.00	17789.00	17870.00	15322.00	16132.00	16781.00	16817.00
C27 H31 N25 O6	13607.00	12553.00	1.00	1.00	9939.00	1.00	11466.00	12144.00	10538.00	1.00	17392.00	17850.00	1.00	10591.00	22266.00	20154.00	15100.00	12770.00	12779.00	12292.00	15730.00	13903.00	18413.00	18688.00	22807.00	23363.00	13239.00	12380.00	13673.00	15341.00	14830.00	15958.00	11361.00	11716.00	11876.00	11154.00	15271.00	17141.00	12105.00	13588.00	13901.00	12661.00	12115.00	13216.00	18209.00	18542.00	12842.00	11814.00	10598.00	11301.00	19362.00	19056.00	13766.00	11048.00
C36 H73 N6	12809.00	14073.00	22799.00	21249.00	23931.00	21765.00	23624.00	23691.00	18162.00	17320.00	18208.00	16921.00	21506.00	20485.00	16073.00	18087.00	15591.00	17441.00	22857.00	23077.00	22478.00	22061.00	17177.00	15943.00	15907.00	17779.00	22442.00	24194.00	22657.00	21336.00	21990.00	21821.00	21991.00	20570.00	22621.00	21080.00	17781.00	17167.00	21497.00	23141.00	22213.00	21962.00	22569.00	24459.00	16349.00	17449.00	21691.00	22174.00	21398.00	18925.00	18329.00	18576.00	25247.00	21486.00
C17 H32 N4 O14 Esi-11.4609995	41466.00	41978.00	1.00	1.00	1.00	1.00	1.00	1.00	26493.00	26007.00	33498.00	32363.00	1.00	1.00	48796.00	47427.00	43976.00	44476.00	26785.00	25482.00	41383.00	31824.00	43559.00	42901.00	56410.00	53738.00	42063.00	32895.00	55393.00	53097.00	37323.00	41952.00	1.00	1.00	1.00	1.00	39277.00	42043.00	65057.00	61240.00	58741.00	57180.00	69608.00	60341.00	24783.00	25272.00	1.00	1.00	20988.00	1.00	32694.00	32395.00	53678.00	43059.00
6E-nonenoic acid Esi-6.9339976	73753.00	75572.00	93786.00	105872.00	76232.00	94139.00	88207.00	95700.00	71726.00	76645.00	70592.00	71726.00	90882.00	102432.00	106600.00	103032.00	122380.00	135500.00	77996.00	78406.00	109387.00	109604.00	79779.00	84683.00	145801.00	146520.00	108489.00	105944.00	81840.00	84004.00	113033.00	114417.00	76935.00	78355.00	85326.00	86108.00	76645.00	60348.00	96212.00	86621.00	103198.00	98399.00	78639.00	98545.00	85385.00	76626.00	76178.00	78614.00	73990.00	66823.00	95497.00	100671.00	79008.00	89018.00
C5 H8 N4 O5	16155.00	16970.00	26593.00	19676.00	29972.00	30235.00	28181.00	27609.00	20552.00	21862.00	22704.00	23363.00	16742.00	15299.00	15178.00	17534.00	19776.00	17119.00	20699.00	19679.00	21270.00	23024.00	16641.00	20701.00	16973.00	19398.00	21050.00	20095.00	15598.00	15722.00	17857.00	17228.00	23906.00	24310.00	20993.00	21933.00	14834.00	14980.00	13850.00	15575.00	18290.00	16577.00	18577.00	17877.00	18748.00	19478.00	25907.00	27930.00	25990.00	25752.00	19589.00	17593.00	18699.00	19276.00
C37 H63 Cl2 N6 S	1.00	1.00	20458.00	12207.00	25342.00	14045.00	20913.00	62268.00	16270.00	23507.00	1.00	1.00	25391.00	10673.00	1.00	1.00	10630.00	7644.00	23255.00	13799.00	44501.00	9322.00	3156.00	1.00	12626.00	7390.00	41305.00	18549.00	67113.00	72343.00	14983.00	30316.00	26547.00	8449.00	5795.00	23457.00	1.00	1.00	28410.00	13994.00	16017.00	4583.00	24277.00	4999.00	1.00	1.00	1.00	1.00	5404.00	1.00	15436.00	7640.00	38972.00	12082.00
Thiocillin	1.00	1.00	16765.00	18479.00	20978.00	21056.00	21919.00	1.00	20775.00	22281.00	1.00	1.00	18170.00	18405.00	1.00	1.00	1.00	1.00	21814.00	21041.00	21442.00	18917.00	1.00	1.00	11808.00	1.00	20603.00	18665.00	18464.00	18794.00	16722.00	19186.00	20323.00	20865.00	17916.00	18263.00	1.00	1.00	19963.00	19239.00	18788.00	19233.00	18832.00	17333.00	1.00	1.00	20018.00	18791.00	18240.00	18518.00	1.00	1.00	21155.00	19421.00
C51 H76 N	1.00	11445.00	14212.00	13574.00	17160.00	15153.00	15200.00	12413.00	1.00	1.00	1.00	13853.00	12911.00	1.00	12331.00	1.00	14380.00	13984.00	14636.00	15859.00	17290.00	14654.00	13928.00	13409.00	12861.00	13625.00	17832.00	16004.00	18838.00	21558.00	13587.00	19137.00	17097.00	1.00	14967.00	17149.00	12159.00	14439.00	19434.00	17334.00	19592.00	14143.00	15666.00	12538.00	11672.00	11709.00	12023.00	13583.00	14720.00	13740.00	13920.00	13493.00	19069.00	15673.00
C12 H2 N O14 S2	19782.00	19880.00	13877.00	12829.00	14321.00	13853.00	15524.00	15144.00	15243.00	14752.00	20238.00	19758.00	16289.00	16767.00	18399.00	18561.00	16901.00	19074.00	16003.00	16620.00	14639.00	14017.00	21612.00	20202.00	19519.00	20202.00	13915.00	14923.00	14452.00	14793.00	14938.00	16761.00	14585.00	14847.00	15595.00	15956.00	19206.00	19265.00	14932.00	14365.00	16150.00	17834.00	15551.00	14132.00	18187.00	20193.00	13988.00	15548.00	14893.00	15204.00	18131.00	19322.00	14068.00	14243.00
Asn His Lys	19853.00	19696.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	22122.00	21705.00	21496.00	21063.00	1.00	1.00	18222.00	1.00	20379.00	20443.00	29747.00	28442.00	20367.00	16532.00	28943.00	26706.00	1.00	19570.00	1.00	1.00	1.00	1.00	20766.00	19219.00	37792.00	38053.00	31633.00	29934.00	39025.00	32521.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	29513.00	22342.00
C42 H77 N14 O	18539.00	23606.00	10157.00	11442.00	12029.00	13068.00	15085.00	14063.00	14612.00	13541.00	21193.00	21618.00	14215.00	12901.00	22259.00	20314.00	22699.00	20597.00	11330.00	10831.00	16856.00	13880.00	25359.00	23817.00	23662.00	22578.00	13668.00	12474.00	11047.00	11775.00	13465.00	16062.00	15737.00	12887.00	17628.00	15297.00	19920.00	25122.00	12412.00	11416.00	13537.00	16262.00	13115.00	13227.00	18579.00	19740.00	14618.00	14534.00	14959.00	14559.00	20393.00	22098.00	13083.00	12930.00
C11 H3 Cl3 N3 O8 S5	18905.00	19299.00	12380.00	12857.00	13674.00	12379.00	14780.00	14265.00	14033.00	13208.00	17376.00	18721.00	14345.00	14164.00	19412.00	19375.00	17333.00	16336.00	12641.00	14025.00	14142.00	12403.00	18354.00	20435.00	20399.00	18639.00	13067.00	12828.00	12234.00	12231.00	13529.00	14550.00	13477.00	12282.00	16393.00	14459.00	16951.00	16528.00	14427.00	15475.00	15745.00	15886.00	14856.00	14552.00	20209.00	20598.00	15386.00	15844.00	16814.00	15321.00	18812.00	19623.00	14689.00	13290.00
C9 H22 N O7	1.00	1.00	1.00	1.00	11776.00	12471.00	10967.00	9923.00	20559.00	18915.00	21447.00	20804.00	8604.00	9050.00	11394.00	12704.00	11620.00	11217.00	16279.00	17944.00	8985.00	11305.00	15282.00	13305.00	12810.00	12576.00	16875.00	18418.00	9468.00	10334.00	8413.00	8964.00	10661.00	11419.00	13359.00	14205.00	14673.00	14221.00	17854.00	20289.00	13413.00	12739.00	10913.00	10387.00	10411.00	9965.00	20374.00	18851.00	18506.00	17478.00	17706.00	21448.00	19858.00	20803.00
PS(20:1(11Z)/0:0) Esi-9.027005 :1	53118.00	52215.00	26660.00	324485.00	32964.00	32963.00	35480.00	41719.00	34261.00	36543.00	68756.00	69991.00	31287.00	34661.00	83889.00	78440.00	52489.00	51219.00	35902.00	36867.00	53695.00	54351.00	75134.00	70899.00	99676.00	98303.00	42775.00	40618.00	49087.00	45506.00	50456.00	50490.00	35233.00	32065.00	37019.00	42862.00	67151.00	66162.00	49861.00	50637.00	47028.00	43182.00	43477.00	41102.00	75181.00	75241.00	42136.00	40774.00	35246.00	35705.00	83452.00	81446.00	48039.00	44749.00
C45 H77 N3 O12 Esi-13.6270075	1.00	1.00	99387.00	98552.00	181174.00	227124.00	189015.00	1028477.00	291756.00	482823.00	1.00	87355.00	226515.00	105216.00	1.00	1.00	209633.00	138951.00	365687.00	279682.00	543018.00	167804.00	120012.00	122399.00	278774.00	172275.00	426426.00	302479.00	909424.00	982660.00	137421.00	269318.00	327233.00	133877.00	75925.00	137409.00	1.00	63737.00	310162.00	283230.00	192772.00	105120.00	355059.00	87928.00	1.00	1.00	1.00	1.00	95781.00	1.00	319755.00	149361.00	681789.00	234812.00
3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid Esi-7.1799946 :1	56578.00	51323.00	60325.00	53700.00	62259.00	64292.00	62475.00	64207.00	61671.00	58216.00	51209.00	60350.00	57903.00	58924.00	46774.00	57652.00	46391.00	53269.00	64060.00	63251.00	44410.00	55176.00	49849.00	54186.00	52290.00	50135.00	52066.00	51772.00	61064.00	54309.00	54864.00	58306.00	55903.00	63432.00	60776.00	62691.00	57539.00	50831.00	61774.00	51048.00	52575.00	49858.00	52509.00	44433.00	19988.00	55673.00	58567.00	52565.00	49017.00	61071.00	58102.00	62501.00	53553.00	57248.00
C37 H63 N23 O2	23217.00	22682.00	14357.00	14744.00	15426.00	15977.00	16175.00	18497.00	16859.00	16651.00	23384.00	22080.00	16638.00	18293.00	25735.00	24470.00	22576.00	21780.00	18929.00	14718.00	18621.00	16177.00	27990.00	24024.00	19844.00	28330.00	18367.00	18642.00	15919.00	15251.00	14932.00	18842.00	17071.00	14879.00	20056.00	22837.00	24077.00	22259.00	15598.00	16872.00	17561.00	19222.00	16839.00	17748.00	26317.00	21903.00	17055.00	18943.00	19755.00	16512.00	22944.00	18683.00	17135.00	13988.00
C10 H2 N O5 S3	190718.00	190451.00	22465.00	19864.00	26231.00	25441.00	41743.00	39424.00	77194.00	80302.00	174060.00	171163.00	61411.00	58312.00	173157.00	168996.00	156708.00	160482.00	45176.00	43758.00	50922.00	47973.00	186339.00	182861.00	173470.00	172153.00	42999.00	43085.00	55143.00	53235.00	66248.00	63401.00	37098.00	40932.00	72901.00	72200.00	149199.00	146586.00	51365.00	56445.00	61580.00	60725.00	59833.00	59236.00	160785.00	158116.00	63809.00	62592.00	61410.00	63013.00	151896.00	146165.00	51095.00	51100.00
Kaempferol 3-(3''-acetyl-alpha-L-arabinofuranoside)-7-rhamnoside Esi-11.453002	40816.00	48148.00	1.00	1.00	1.00	1.00	1.00	1.00	26313.00	25584.00	34360.00	31589.00	1.00	1.00	45517.00	46943.00	45247.00	43031.00	26674.00	27450.00	38333.00	34018.00	50106.00	46297.00	54560.00	57875.00	41565.00	34316.00	45421.00	47480.00	38519.00	40227.00	1.00	1.00	1.00	1.00	45630.00	42817.00	62976.00	61263.00	60313.00	56831.00	67690.00	62364.00	27596.00	28113.00	1.00	1.00	1.00	20566.00	34044.00	32846.00	49281.00	46756.00
C44 H39 O2	1.00	1.00	17384.00	13051.00	17720.00	16264.00	17382.00	21877.00	15380.00	15768.00	1.00	1.00	17742.00	14666.00	1.00	1.00	1.00	1.00	20514.00	16031.00	19172.00	13763.00	1.00	1.00	1.00	1.00	18684.00	13704.00	24675.00	19886.00	14132.00	17699.00	19598.00	14113.00	1.00	16903.00	1.00	1.00	14630.00	13809.00	14587.00	1.00	15264.00	1.00	1.00	1.00	1.00	1.00	12723.00	1.00	1.00	1.00	21452.00	14044.00
C39 H67 N6 O11 Esi-13.0020075	1.00	1.00	42458.00	19685.00	70979.00	41240.00	70483.00	307668.00	62945.00	95220.00	1.00	14249.00	87574.00	27537.00	1.00	1.00	28609.00	19288.00	94351.00	47508.00	133410.00	23541.00	15963.00	15841.00	41730.00	25503.00	117811.00	38906.00	274431.00	303930.00	41073.00	132182.00	106346.00	28405.00	17255.00	67606.00	1.00	12940.00	92716.00	46374.00	46047.00	16372.00	55033.00	14167.00	1.00	1.00	1.00	1.00	18547.00	1.00	64761.00	31301.00	216430.00	47301.00
Phytuberin Esi-13.752009 :2	38105.00	39282.00	349219.00	188864.00	402081.00	348627.00	424330.00	165921.00	303166.00	366672.00	28831.00	85950.00	396112.00	193288.00	15496.00	18612.00	101051.00	47650.00	492595.00	295031.00	184445.00	28056.00	112108.00	145250.00	109149.00	123114.00	156594.00	291277.00	349625.00	282919.00	227190.00	416771.00	462072.00	22001.00	157474.00	359133.00	22987.00	99149.00	363676.00	273220.00	248846.00	113418.00	300672.00	94757.00	21752.00	13279.00	43070.00	66526.00	216161.00	200372.00	238135.00	168380.00	555089.00	220780.00
C14 H4 N O12 S2	13455.00	14725.00	1.00	1.00	1.00	1.00	9685.00	11466.00	15258.00	14415.00	16198.00	15151.00	11910.00	12646.00	14982.00	15930.00	14774.00	15235.00	1.00	10662.00	1.00	1.00	13684.00	13571.00	16697.00	15843.00	1.00	1.00	1.00	9151.00	14340.00	14344.00	1.00	1.00	14482.00	15020.00	18338.00	17783.00	11827.00	11208.00	9871.00	10543.00	10204.00	10757.00	16911.00	14875.00	11800.00	11969.00	14566.00	12687.00	15048.00	15082.00	11505.00	11141.00
C40 H81 N9	30394.00	29516.00	22528.00	16806.00	22231.00	24262.00	23786.00	23550.00	26202.00	22801.00	29829.00	28821.00	26284.00	26697.00	30462.00	29444.00	28843.00	32381.00	24061.00	24451.00	25635.00	23447.00	30991.00	31750.00	31182.00	27856.00	23970.00	22612.00	23800.00	21031.00	22014.00	24370.00	25772.00	24875.00	24892.00	25558.00	31957.00	30461.00	25478.00	22687.00	27346.00	28234.00	21355.00	23941.00	32496.00	26016.00	25274.00	26679.00	26059.00	28725.00	31568.00	33101.00	22262.00	21729.00
C40 H77 N6 O4	15746.00	18893.00	18930.00	20167.00	19605.00	17657.00	19666.00	19867.00	17559.00	17025.00	20255.00	19672.00	17225.00	22276.00	20239.00	22844.00	22878.00	23825.00	17188.00	19488.00	20761.00	21202.00	25051.00	22160.00	22034.00	25589.00	18162.00	20903.00	18989.00	19100.00	17965.00	18513.00	20100.00	19270.00	20573.00	21114.00	20398.00	22886.00	21070.00	18862.00	19115.00	20728.00	19375.00	21924.00	21391.00	23548.00	19495.00	20696.00	20355.00	22482.00	22855.00	21240.00	18362.00	19534.00
C26 H49 N25 O7	11750.00	10648.00	22593.00	22693.00	22753.00	23613.00	23643.00	22805.00	20761.00	16972.00	16017.00	15226.00	21160.00	21364.00	16155.00	17045.00	14797.00	15108.00	25074.00	20178.00	23664.00	24341.00	12573.00	14790.00	15799.00	15031.00	24382.00	22035.00	20964.00	24119.00	22770.00	21856.00	22620.00	22713.00	18546.00	22354.00	16120.00	18961.00	23740.00	24256.00	22069.00	23148.00	21912.00	25608.00	16184.00	14855.00	22112.00	20997.00	21282.00	19291.00	19563.00	18774.00	22207.00	24389.00
C42 H87 N10 O	21097.00	23399.00	9884.00	11253.00	11796.00	11953.00	12166.00	14034.00	14178.00	13524.00	21066.00	18503.00	14001.00	14535.00	22492.00	20185.00	21355.00	20083.00	12988.00	13079.00	13821.00	14045.00	21488.00	21147.00	19678.00	21746.00	13154.00	12049.00	13350.00	12532.00	12816.00	14587.00	13343.00	12949.00	15354.00	14645.00	20666.00	18319.00	12900.00	13626.00	13488.00	14579.00	12242.00	13160.00	17782.00	20439.00	14695.00	14744.00	16098.00	14877.00	18705.00	20941.00	13438.00	12596.00
C17 H23 N8 Esi-9.177001	17347.00	1.00	42624.00	22064.00	1.00	67087.00	63086.00	15903.00	93443.00	1.00	80834.00	17258.00	78110.00	67434.00	24025.00	35606.00	18102.00	58616.00	21471.00	34292.00	1.00	1.00	24550.00	35768.00	92604.00	78377.00	1.00	1.00	1.00	1.00	1.00	81449.00	1.00	1.00	1.00	34658.00	1.00	18097.00	24078.00	1.00	1.00	1.00	1.00	1.00	110875.00	1.00	1.00	57412.00	43124.00	64111.00	32614.00	40972.00	31346.00	1.00
C8 H15 N O8 S	19889.00	21211.00	1.00	1.00	1.00	1.00	11087.00	9773.00	19412.00	16916.00	18591.00	21689.00	14375.00	13038.00	18723.00	15484.00	20850.00	20459.00	9552.00	11025.00	11725.00	13568.00	19680.00	20920.00	23341.00	22383.00	13142.00	12721.00	12285.00	13722.00	15870.00	17087.00	11333.00	9201.00	19386.00	16296.00	20768.00	21863.00	17064.00	15833.00	15282.00	17529.00	13706.00	12956.00	22348.00	20254.00	15780.00	17138.00	19899.00	19603.00	24311.00	24231.00	13429.00	16493.00
4-octenal	1.00	1.00	1.00	13239.00	18121.00	39909.00	1.00	14075.00	1.00	1.00	1.00	1.00	13377.00	12182.00	1.00	1.00	1.00	1.00	12949.00	13176.00	1.00	9650.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	16644.00	12667.00	10839.00	1.00	17731.00	12029.00	1.00	1.00	35230.00	12900.00	1.00	1.00	1.00	1.00	12180.00	17462.00	1.00	1.00	15800.00	17371.00	12948.00	24862.00	13299.00	1.00
Metipranolol Esi-8.385004	16092.00	19455.00	16382.00	13996.00	17730.00	16187.00	15380.00	14676.00	15667.00	15692.00	47016.00	17563.00	15191.00	14450.00	18765.00	17240.00	14646.00	17166.00	14562.00	17379.00	15966.00	15649.00	15096.00	19077.00	17622.00	17939.00	16103.00	18125.00	17240.00	16109.00	15851.00	15760.00	14269.00	15730.00	15772.00	18091.00	17285.00	14684.00	21700.00	19406.00	19556.00	18934.00	19803.00	18296.00	15916.00	18371.00	15745.00	16783.00	15101.00	15813.00	17444.00	18794.00	16349.00	19508.00
C16 H35 N18 O2	22511.00	20092.00	22413.00	20722.00	21339.00	19737.00	23336.00	20879.00	21490.00	21965.00	22733.00	20784.00	19180.00	19730.00	21351.00	21734.00	20317.00	20540.00	20001.00	21980.00	19279.00	18525.00	19786.00	19809.00	19679.00	19114.00	22762.00	22585.00	22668.00	21076.00	22127.00	20883.00	22112.00	21089.00	22067.00	21402.00	20070.00	21580.00	20712.00	21419.00	23055.00	23890.00	22007.00	22693.00	20915.00	22683.00	20948.00	21323.00	20453.00	19924.00	20574.00	20461.00	21416.00	22571.00
methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate Esi-13.44399 :1	52619.00	45639.00	80531.00	64593.00	78915.00	76465.00	86880.00	105727.00	92216.00	84567.00	42938.00	58061.00	85121.00	75847.00	47955.00	56536.00	75344.00	51759.00	115472.00	71461.00	134663.00	60587.00	62751.00	63581.00	69002.00	68500.00	136467.00	88796.00	180787.00	163989.00	125886.00	99791.00	79333.00	66498.00	64007.00	89992.00	54871.00	51869.00	139639.00	105176.00	100516.00	65948.00	102006.00	68437.00	47482.00	45612.00	54587.00	49617.00	59886.00	48434.00	90803.00	65250.00	165178.00	62761.00
C29 H49 N3 O12 Esi-6.890005 :1	45979.00	130459.00	45227.00	50394.00	127312.00	131604.00	85764.00	90245.00	48514.00	50521.00	170188.00	143209.00	70977.00	86441.00	214316.00	215426.00	74947.00	74645.00	113439.00	115804.00	81193.00	29461.00	152813.00	150562.00	108541.00	115599.00	71023.00	68007.00	72026.00	77652.00	99653.00	33734.00	84877.00	82381.00	103016.00	103393.00	202421.00	204983.00	81516.00	85671.00	64738.00	64592.00	23622.00	67093.00	329015.00	323777.00	76845.00	80452.00	106981.00	105754.00	183524.00	190335.00	29205.00	91672.00
16-hydroperoxy-9Z,12,14E-octadecatrienoic acid	1.00	18870.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	21542.00	24182.00	1.00	1.00	1.00	1.00	19034.00	1.00	1.00	21388.00	24464.00	24729.00	1.00	1.00	27986.00	33694.00	1.00	26487.00	1.00	1.00	1.00	1.00	18167.00	1.00	30511.00	29091.00	22084.00	14505.00	22884.00	24960.00	1.00	35620.00	1.00	1.00	1.00	1.00	1.00	1.00	30311.00	23629.00
C27 H59 N28 O S	16243.00	15809.00	17287.00	14128.00	18402.00	15447.00	15313.00	18025.00	17949.00	16806.00	17251.00	15528.00	16808.00	20136.00	19113.00	17220.00	20486.00	17853.00	13655.00	16298.00	16531.00	16532.00	16688.00	18373.00	18657.00	16854.00	17612.00	15046.00	17315.00	14596.00	15520.00	15803.00	16731.00	19040.00	18945.00	18284.00	16857.00	18731.00	15905.00	17529.00	17611.00	18338.00	16608.00	17780.00	19335.00	17952.00	17784.00	14887.00	16846.00	15261.00	17766.00	16518.00	15667.00	15378.00
C30 H49 N26 O3	13520.00	11871.00	18253.00	15955.00	17081.00	16992.00	18633.00	18008.00	15644.00	14631.00	14866.00	15159.00	16215.00	17194.00	16639.00	14824.00	15320.00	13688.00	17363.00	17165.00	20224.00	17216.00	13569.00	14722.00	15861.00	14298.00	18800.00	19197.00	16095.00	18008.00	18896.00	19268.00	14984.00	19275.00	17982.00	17321.00	15544.00	15358.00	18937.00	18604.00	18836.00	17333.00	18440.00	17802.00	16831.00	18736.00	17369.00	17329.00	17335.00	17403.00	16611.00	13462.00	19413.00	19160.00
C11 H4 N3 O8 S3	21928.00	19976.00	1.00	1.00	1.00	1.00	1.00	1.00	12908.00	12336.00	16119.00	15190.00	1.00	1.00	17984.00	15425.00	13647.00	16612.00	11780.00	11792.00	1.00	11544.00	18007.00	20334.00	16139.00	15230.00	1.00	1.00	1.00	1.00	1.00	1.00	11310.00	1.00	12836.00	12346.00	19591.00	17948.00	12845.00	11779.00	12055.00	12609.00	1.00	1.00	16796.00	16663.00	12827.00	13327.00	12912.00	13537.00	17252.00	17185.00	1.00	1.00
5-Fluorouridine monophosphate	10027.00	10614.00	11802.00	10598.00	13513.00	10583.00	1.00	10782.00	1.00	1.00	15095.00	14843.00	10741.00	11090.00	12974.00	14577.00	11002.00	12812.00	11828.00	12626.00	9852.00	1.00	1.00	1.00	14937.00	14558.00	17127.00	15531.00	10298.00	11213.00	12038.00	13196.00	15353.00	15403.00	14730.00	14595.00	14781.00	13359.00	15488.00	14828.00	16104.00	14932.00	19360.00	15491.00	20507.00	21116.00	15689.00	14986.00	16048.00	16278.00	15180.00	14023.00	21192.00	18454.00
C43 H84 Cl2 N7 O	21575.00	22768.00	12812.00	14468.00	14593.00	12966.00	15288.00	14808.00	14491.00	15316.00	20430.00	19689.00	16609.00	15207.00	21214.00	20464.00	21733.00	20898.00	13228.00	14429.00	19353.00	18374.00	22825.00	20811.00	20517.00	23950.00	16349.00	15749.00	13768.00	14937.00	15533.00	15189.00	15620.00	13467.00	18573.00	18067.00	19046.00	22046.00	15555.00	16135.00	16905.00	15448.00	15360.00	17488.00	21789.00	22004.00	14507.00	18268.00	15542.00	18173.00	22889.00	24081.00	13582.00	15125.00
C31 H51 O9	1.00	1.00	38956.00	31822.00	39749.00	33659.00	40416.00	93335.00	29114.00	33032.00	1.00	14185.00	39559.00	32069.00	1.00	1.00	16307.00	15737.00	42180.00	30411.00	67440.00	30162.00	1.00	1.00	16427.00	12945.00	51191.00	31002.00	88814.00	95359.00	25523.00	42375.00	44663.00	27016.00	23667.00	31868.00	1.00	1.00	44429.00	34126.00	30267.00	21547.00	31741.00	18621.00	1.00	1.00	19934.00	18680.00	26170.00	24249.00	18747.00	14721.00	63761.00	27332.00
Quercetin 3-(6''-acetylgalactoside)-7-rhamnoside	23487.00	27574.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	20645.00	20144.00	1.00	1.00	26996.00	26860.00	25368.00	24844.00	1.00	1.00	22450.00	1.00	28476.00	27306.00	32742.00	34034.00	25030.00	20275.00	26487.00	27035.00	22691.00	22631.00	1.00	1.00	1.00	1.00	25472.00	25940.00	37679.00	36094.00	35142.00	32532.00	38924.00	36255.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	20488.00	28691.00	26037.00
C5 H Cl3 O3 S4	12364.00	12333.00	17752.00	13556.00	14580.00	16091.00	17297.00	15487.00	14029.00	14565.00	13521.00	13992.00	17334.00	14759.00	12934.00	17191.00	14841.00	12901.00	14064.00	14905.00	17090.00	14620.00	13480.00	14680.00	16126.00	14147.00	15676.00	14761.00	18064.00	15223.00	16491.00	14748.00	13936.00	13811.00	15431.00	15145.00	14578.00	13626.00	12657.00	16804.00	15785.00	16116.00	18394.00	16157.00	18118.00	14626.00	15946.00	16134.00	18698.00	16504.00	15354.00	13504.00	15847.00	15308.00
Mephenesin Esi-7.8379993	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	22295.00	16841.00	19901.00	17253.00	1.00	1.00	1.00	1.00	1.00	11486.00	15021.00	1.00	1.00	1.00	17944.00	18159.00	20904.00	19029.00	23559.00	21530.00	1.00	1.00	13339.00	14055.00	1.00	1.00	14998.00	19588.00	1.00	1.00	21778.00	25120.00	1.00	1.00
C29 H51 N O20	12295.00	12454.00	1.00	1.00	11848.00	12145.00	11175.00	10809.00	9955.00	10134.00	17388.00	17378.00	11476.00	12724.00	20297.00	19449.00	12827.00	12575.00	13129.00	10104.00	12631.00	12399.00	17294.00	17469.00	22225.00	21675.00	12185.00	10820.00	12506.00	13714.00	13337.00	14182.00	12347.00	12242.00	13045.00	14068.00	14703.00	15480.00	12092.00	11840.00	12373.00	11610.00	11923.00	11389.00	18196.00	17583.00	11234.00	10338.00	12149.00	13362.00	18854.00	18052.00	12441.00	11449.00
C16 H24 N5 O9	16645.00	15944.00	16797.00	17128.00	17136.00	16273.00	16488.00	14261.00	18105.00	16695.00	17580.00	15789.00	16431.00	16000.00	17685.00	15042.00	15432.00	15135.00	16619.00	15800.00	14919.00	15216.00	15397.00	16863.00	16143.00	15261.00	16166.00	15505.00	16571.00	14872.00	16079.00	16910.00	17053.00	16861.00	15163.00	16038.00	17367.00	15253.00	17654.00	16063.00	15515.00	15076.00	17035.00	15753.00	16371.00	16609.00	15748.00	16736.00	15224.00	17397.00	17666.00	14847.00	15484.00	16631.00
Fructoselysine	29606.00	29440.00	29693.00	31068.00	35292.00	32393.00	27612.00	21739.00	38322.00	34993.00	16076.00	15962.00	35882.00	35550.00	1.00	1.00	36784.00	36509.00	1.00	1.00	38874.00	36959.00	25406.00	23490.00	25832.00	24390.00	15528.00	15216.00	83793.00	80738.00	11882.00	11708.00	17150.00	14966.00	29376.00	31534.00	47085.00	49772.00	39110.00	35377.00	31568.00	28485.00	26765.00	29093.00	16901.00	17736.00	19218.00	22765.00	23112.00	24076.00	21047.00	22631.00	22354.00	23516.00
C40 H82 Cl N2 S	10353.00	14386.00	18284.00	19753.00	20154.00	16858.00	19099.00	22082.00	15825.00	15210.00	16244.00	18167.00	17603.00	20399.00	14518.00	16056.00	14122.00	16395.00	17031.00	18946.00	21599.00	17976.00	15947.00	14246.00	18855.00	18142.00	17805.00	18672.00	19851.00	18854.00	21576.00	19544.00	19267.00	20918.00	21354.00	19905.00	15549.00	21435.00	18133.00	18027.00	19856.00	17067.00	22573.00	18304.00	19836.00	15397.00	15996.00	17413.00	21237.00	18116.00	18262.00	20204.00	21979.00	19885.00
C15 H30 N9 O2 Esi-13.124001	1.00	77579.00	279426.00	34444.00	34775.00	218862.00	13063.00	15094.00	53845.00	186635.00	241714.00	1.00	17847.00	22400.00	262048.00	1.00	25957.00	1.00	61034.00	58247.00	53152.00	237022.00	250450.00	32464.00	1.00	239180.00	23431.00	55364.00	11973.00	12674.00	228493.00	26835.00	39587.00	253475.00	241885.00	32091.00	1.00	31273.00	107729.00	178005.00	179218.00	261780.00	22342.00	198939.00	1.00	1.00	1.00	217565.00	18965.00	16288.00	46512.00	21734.00	8905.00	44288.00
C42 H79 Cl2 N3	14536.00	16457.00	20018.00	17350.00	22820.00	16966.00	22862.00	25314.00	17836.00	21338.00	17910.00	20695.00	20329.00	21548.00	22707.00	20895.00	22715.00	23134.00	21678.00	19931.00	21176.00	18765.00	19128.00	18996.00	18184.00	22839.00	18072.00	21393.00	18347.00	20782.00	19296.00	23629.00	17980.00	24642.00	22253.00	23773.00	19315.00	17316.00	21190.00	23584.00	21085.00	21428.00	16557.00	21292.00	22540.00	21342.00	21144.00	21441.00	21215.00	17988.00	22820.00	20394.00	19025.00	22001.00
C7 H2 O2	84762.00	82482.00	33898.00	41318.00	47200.00	39495.00	48204.00	51124.00	52163.00	53960.00	72897.00	82021.00	63182.00	62380.00	76938.00	80592.00	80215.00	74963.00	57504.00	47561.00	53182.00	55766.00	72171.00	83722.00	77453.00	90295.00	55583.00	50126.00	54722.00	55707.00	61291.00	56466.00	53800.00	52827.00	63078.00	67110.00	81018.00	80069.00	59141.00	61429.00	57848.00	58117.00	53686.00	48165.00	84449.00	73129.00	63970.00	55453.00	62455.00	61158.00	76338.00	75550.00	49951.00	51566.00
C6 H N3 O2	13779.00	13979.00	19272.00	20666.00	21035.00	21444.00	19389.00	21577.00	13657.00	13107.00	15338.00	22837.00	10530.00	9795.00	1.00	1.00	17372.00	17750.00	15430.00	11382.00	14693.00	14548.00	10440.00	12489.00	17437.00	22871.00	19198.00	13936.00	19470.00	19252.00	18704.00	17281.00	19342.00	18174.00	15749.00	21368.00	11391.00	11132.00	18252.00	17130.00	12328.00	19123.00	14860.00	21883.00	15615.00	17672.00	16813.00	16587.00	25435.00	16501.00	17725.00	16532.00	21646.00	13713.00
C27 H18 N16 O11 Esi-11.454994	51234.00	48748.00	1.00	1.00	1.00	1.00	1.00	1.00	27865.00	29025.00	37492.00	34390.00	1.00	1.00	55361.00	52828.00	45664.00	45042.00	29436.00	28687.00	38182.00	36221.00	52182.00	53539.00	59891.00	58916.00	42119.00	38699.00	47923.00	44943.00	43003.00	41655.00	1.00	1.00	1.00	1.00	48416.00	49893.00	68503.00	68888.00	64326.00	65179.00	74213.00	64647.00	30117.00	29940.00	1.00	1.00	20976.00	17952.00	36591.00	37484.00	56067.00	52188.00
C52 H59 N8 O	15992.00	16242.00	17445.00	17789.00	18874.00	17830.00	23395.00	19134.00	17626.00	18363.00	17119.00	18310.00	15324.00	20321.00	19229.00	18745.00	19613.00	23423.00	21156.00	18421.00	20474.00	18452.00	16892.00	18517.00	19111.00	18252.00	16900.00	19332.00	19222.00	19387.00	19629.00	19819.00	20065.00	20227.00	22523.00	18586.00	17120.00	17260.00	18164.00	16276.00	22131.00	20356.00	17618.00	19951.00	16771.00	20582.00	16874.00	18586.00	20711.00	22859.00	18692.00	19192.00	20835.00	18585.00
C19 H44 N6 S2	20261.00	23092.00	35070.00	32855.00	26888.00	37148.00	39542.00	29388.00	22131.00	27627.00	24107.00	23490.00	31234.00	23732.00	16777.00	23014.00	22030.00	32942.00	35279.00	30116.00	39243.00	32672.00	16627.00	21576.00	23928.00	24069.00	30006.00	30074.00	39396.00	47304.00	35743.00	40343.00	25958.00	32553.00	34189.00	43011.00	23808.00	15008.00	35281.00	33209.00	25151.00	20775.00	32095.00	22867.00	23460.00	22475.00	18320.00	21852.00	24892.00	27109.00	28176.00	24153.00	41861.00	25601.00
C14 H29 N4 O10	1.00	9008.00	14237.00	15720.00	12880.00	13986.00	14356.00	14520.00	9397.00	9747.00	10771.00	12424.00	11866.00	11617.00	14219.00	14815.00	11048.00	12853.00	12262.00	12981.00	12035.00	12949.00	16151.00	16593.00	12160.00	11235.00	14541.00	16524.00	14392.00	12088.00	11556.00	11977.00	14269.00	13733.00	13017.00	13978.00	13394.00	15331.00	11468.00	13391.00	18654.00	17186.00	16092.00	13512.00	13171.00	14301.00	18294.00	16933.00	16128.00	17142.00	17604.00	19523.00	15726.00	13993.00
C30 H49 N18 O2	1.00	1.00	33897.00	18969.00	32256.00	22987.00	34225.00	141988.00	23666.00	36321.00	1.00	1.00	38025.00	14027.00	1.00	1.00	29066.00	1.00	53541.00	25444.00	92091.00	14370.00	1.00	1.00	24100.00	1.00	80108.00	29522.00	140481.00	137843.00	24869.00	55955.00	47257.00	12770.00	1.00	32957.00	1.00	1.00	46103.00	20704.00	32820.00	1.00	39635.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	21922.00	1.00	76235.00	16063.00
C40 H72 N3 O	14957.00	16421.00	14542.00	15019.00	14796.00	16784.00	15348.00	16506.00	16257.00	15248.00	16250.00	16226.00	16459.00	17665.00	15988.00	17901.00	14885.00	13615.00	14769.00	16078.00	15619.00	15982.00	16168.00	18270.00	17250.00	14504.00	15526.00	14834.00	15800.00	14986.00	16074.00	16877.00	17231.00	15551.00	19882.00	15502.00	18394.00	16804.00	16506.00	16299.00	17278.00	18412.00	16131.00	14541.00	16693.00	16288.00	17572.00	18266.00	16831.00	19424.00	17986.00	16395.00	17076.00	17179.00
C23 H51 N6 O22	1.00	1.00	16677.00	1.00	23173.00	13564.00	18438.00	24170.00	1.00	15198.00	1.00	1.00	19778.00	1.00	1.00	1.00	1.00	1.00	21108.00	13779.00	22943.00	1.00	1.00	1.00	1.00	1.00	21783.00	12212.00	27016.00	23295.00	1.00	19904.00	21225.00	1.00	1.00	16121.00	1.00	1.00	16344.00	1.00	1.00	1.00	13966.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	23533.00	1.00
C30 H66 N23 O	1.00	1.00	20190.00	15613.00	82289.00	23053.00	80355.00	1.00	13243.00	42433.00	1.00	22439.00	93477.00	35924.00	1.00	1.00	25549.00	1.00	61850.00	51643.00	91798.00	1.00	44986.00	52333.00	37814.00	22606.00	49263.00	42963.00	1.00	54052.00	33297.00	14487.00	27444.00	28142.00	67020.00	68806.00	1.00	24636.00	46558.00	54480.00	35297.00	25395.00	25483.00	1.00	1.00	1.00	42296.00	1.00	32857.00	20398.00	26232.00	16892.00	37466.00	29765.00
C40 H84 Cl N6 O	26187.00	21609.00	9275.00	9930.00	14140.00	11158.00	13652.00	12157.00	17919.00	19612.00	23081.00	23137.00	10737.00	14039.00	25095.00	26176.00	16980.00	19691.00	11815.00	14889.00	13198.00	12622.00	25838.00	23171.00	23450.00	22404.00	12128.00	12151.00	14889.00	12780.00	14248.00	15581.00	13390.00	11806.00	17789.00	11476.00	21174.00	21520.00	13643.00	15309.00	11572.00	12294.00	16001.00	14333.00	22355.00	24373.00	15456.00	14940.00	16363.00	16860.00	28049.00	24368.00	14277.00	14927.00
4,7-dioxo-octanoic acid	18866.00	20110.00	18997.00	21048.00	21576.00	21775.00	21240.00	21274.00	19868.00	20710.00	17888.00	20835.00	19354.00	18895.00	19201.00	18648.00	18806.00	18350.00	18403.00	17992.00	18987.00	19761.00	18631.00	19282.00	23876.00	22386.00	22157.00	18335.00	19452.00	20329.00	19224.00	20929.00	22667.00	23073.00	21881.00	21744.00	17914.00	19456.00	18021.00	17865.00	20308.00	19719.00	19730.00	21115.00	19766.00	20966.00	17855.00	17489.00	22175.00	19804.00	21841.00	20715.00	19782.00	20249.00
C29 H47 N3 O9 Esi-9.127004	15018.00	14514.00	1.00	1.00	14326.00	16194.00	14018.00	16095.00	1.00	1.00	15378.00	17517.00	1.00	1.00	18150.00	18376.00	1.00	1.00	14636.00	15499.00	13462.00	14093.00	16154.00	16153.00	14736.00	15797.00	12749.00	13333.00	1.00	12512.00	1.00	12971.00	13060.00	12716.00	14903.00	13444.00	15871.00	15366.00	13608.00	1.00	1.00	1.00	1.00	1.00	24519.00	23770.00	12428.00	14529.00	12616.00	12962.00	19133.00	16662.00	16495.00	14220.00
Isoelemicin	1.00	11214.00	15169.00	14963.00	16103.00	13520.00	12281.00	17655.00	10844.00	1.00	11031.00	1.00	12956.00	12862.00	12219.00	11179.00	13794.00	13023.00	18799.00	17410.00	17422.00	13857.00	1.00	1.00	1.00	1.00	15005.00	16152.00	15531.00	14744.00	12482.00	11207.00	14126.00	12621.00	10395.00	11062.00	1.00	10164.00	14219.00	12823.00	11227.00	1.00	12249.00	9948.00	12475.00	12065.00	10881.00	1.00	10152.00	1.00	1.00	1.00	12201.00	11223.00
C5 H Cl3 N O S5	10891.00	1.00	13307.00	11262.00	13454.00	11579.00	13622.00	11306.00	10285.00	12478.00	11938.00	13226.00	12228.00	9773.00	12453.00	11852.00	11022.00	13659.00	12174.00	1.00	10005.00	12395.00	12480.00	9241.00	12117.00	11147.00	10849.00	12622.00	11854.00	11166.00	10610.00	14323.00	11155.00	13973.00	11851.00	11452.00	14056.00	11453.00	10910.00	11278.00	12843.00	10525.00	11973.00	11450.00	12779.00	11827.00	13297.00	12877.00	14846.00	12829.00	12949.00	12971.00	13007.00	12654.00
C10 H O2 S	12006.00	12880.00	13778.00	11484.00	10714.00	10060.00	1.00	9811.00	12629.00	11667.00	9057.00	9529.00	9164.00	1.00	11144.00	11844.00	1.00	9210.00	14092.00	15297.00	16243.00	16022.00	15541.00	18158.00	10090.00	11000.00	14030.00	12386.00	14298.00	14469.00	12866.00	13180.00	13198.00	13338.00	1.00	1.00	13833.00	13881.00	14600.00	16764.00	10472.00	10601.00	11913.00	10520.00	11654.00	11628.00	19390.00	21317.00	10439.00	12677.00	11058.00	11756.00	10918.00	12988.00
Orthoform Esi-1.5460005	1.00	1.00	1.00	1.00	12607.00	12351.00	11636.00	12207.00	11100.00	11204.00	12365.00	12971.00	1.00	1.00	1.00	1.00	11240.00	11793.00	1.00	1.00	15923.00	16605.00	1.00	1.00	9976.00	11508.00	11266.00	11639.00	12165.00	14910.00	12536.00	11226.00	15616.00	14090.00	14461.00	15201.00	16451.00	17308.00	20710.00	17531.00	15324.00	13337.00	1.00	1.00	13688.00	15903.00	10961.00	10371.00	1.00	1.00	11665.00	12823.00	14851.00	14715.00
Hymenoxon	16743.00	1.00	50302.00	80824.00	28592.00	28085.00	23451.00	52104.00	31442.00	16985.00	90575.00	1.00	96222.00	55504.00	34520.00	29472.00	50017.00	65632.00	22393.00	16450.00	27399.00	34861.00	1.00	1.00	46225.00	51296.00	25834.00	17580.00	48047.00	67671.00	56225.00	98944.00	17271.00	16614.00	21853.00	16468.00	31007.00	28078.00	54269.00	19017.00	33382.00	12930.00	46680.00	20676.00	20386.00	54930.00	18719.00	16106.00	13411.00	8182.00	16428.00	16774.00	51736.00	16781.00
C8 H N2 Esi-0.87099946	544887.00	545224.00	478836.00	478583.00	365956.00	365242.00	341154.00	328550.00	484244.00	481550.00	356955.00	364135.00	363536.00	357818.00	479693.00	464313.00	376277.00	366582.00	491561.00	505894.00	564394.00	577041.00	681092.00	699529.00	455264.00	450032.00	485684.00	513643.00	557322.00	555866.00	609969.00	614058.00	510425.00	505478.00	379547.00	370347.00	619299.00	601020.00	557219.00	545323.00	387029.00	415237.00	445177.00	452051.00	466766.00	477132.00	749547.00	750250.00	476722.00	486536.00	520533.00	499229.00	526200.00	511093.00
2,2-Dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-benzopyran-7-ol acetate	20109.00	18401.00	25467.00	22122.00	21359.00	24905.00	19136.00	20610.00	24399.00	21873.00	20594.00	21675.00	20145.00	21458.00	20168.00	21439.00	17808.00	17610.00	22099.00	20467.00	21773.00	21327.00	20740.00	19402.00	19789.00	20840.00	18325.00	20250.00	21749.00	23681.00	21155.00	20055.00	18495.00	18500.00	19870.00	20324.00	18749.00	19063.00	21903.00	18700.00	17204.00	19853.00	19337.00	19916.00	20051.00	18861.00	18124.00	19460.00	21675.00	18587.00	16205.00	19562.00	21831.00	19225.00
C39 H75 N3 S2	1.00	1.00	19667.00	18871.00	18175.00	17437.00	19057.00	21054.00	15687.00	15738.00	11107.00	11976.00	17037.00	15769.00	10754.00	10546.00	10293.00	10025.00	18824.00	17228.00	18629.00	18015.00	9166.00	9022.00	10982.00	11008.00	17457.00	20830.00	19063.00	18874.00	16686.00	16612.00	16479.00	18449.00	17261.00	18208.00	12807.00	11247.00	18485.00	19468.00	17848.00	16485.00	20236.00	21337.00	11413.00	11366.00	15558.00	16912.00	16398.00	15339.00	10576.00	12485.00	19301.00	17744.00
C3 H8 Cl N O6 S2	15650.00	15037.00	10729.00	11524.00	12047.00	12822.00	13458.00	17106.00	14173.00	14542.00	18216.00	16985.00	14143.00	13058.00	13975.00	14680.00	15165.00	16156.00	12790.00	12779.00	13223.00	12128.00	15813.00	18171.00	15492.00	19701.00	14481.00	14755.00	13466.00	13550.00	14309.00	11614.00	14198.00	13532.00	14197.00	16250.00	17188.00	17806.00	14349.00	14937.00	16404.00	15899.00	11444.00	12307.00	17051.00	16274.00	11320.00	13369.00	14759.00	16386.00	19405.00	18051.00	13748.00	14130.00
C22 H3 Cl3 O11 S3	18091.00	19992.00	10115.00	10134.00	11652.00	10671.00	12325.00	11947.00	14289.00	12760.00	18319.00	16200.00	11164.00	13289.00	17087.00	15537.00	16200.00	14857.00	11673.00	12559.00	11121.00	11726.00	20515.00	18648.00	17503.00	17067.00	11945.00	11312.00	10368.00	11646.00	12235.00	11332.00	11584.00	11437.00	13203.00	13275.00	16830.00	16731.00	11686.00	11686.00	13175.00	13042.00	12663.00	11978.00	17610.00	18040.00	13707.00	14383.00	12770.00	13713.00	16814.00	17345.00	11697.00	11517.00
Ala Pro Lys	1.00	1.00	11849.00	1.00	18626.00	1.00	12063.00	12416.00	1.00	1.00	1.00	1.00	19341.00	1.00	1.00	1.00	12183.00	16541.00	15678.00	13216.00	18142.00	1.00	1.00	1.00	1.00	1.00	15175.00	1.00	15850.00	17801.00	13126.00	15752.00	1.00	1.00	1.00	37000.00	1.00	1.00	16948.00	20732.00	22948.00	16489.00	16922.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11552.00	1.00	18320.00	14866.00
C18 H37 N13 Esi-13.143997	18348.00	14380.00	22062.00	18511.00	21376.00	22133.00	22037.00	22633.00	24679.00	21872.00	19832.00	20207.00	21126.00	20385.00	15080.00	16686.00	18764.00	18018.00	21968.00	22484.00	20543.00	23080.00	15455.00	18715.00	19419.00	19375.00	21272.00	22692.00	22338.00	19856.00	23786.00	24192.00	21744.00	19762.00	18339.00	19901.00	16185.00	16590.00	22511.00	23309.00	22252.00	18744.00	20510.00	19020.00	17815.00	16159.00	15533.00	18248.00	21342.00	19750.00	23660.00	20870.00	19942.00	23453.00
Propanethial S-oxide Esi-0.9370002 :1	121756.00	128280.00	40905.00	43929.00	56014.00	61863.00	65827.00	65083.00	76574.00	94674.00	113405.00	122996.00	85131.00	89493.00	124564.00	125642.00	117276.00	137798.00	70537.00	77909.00	82924.00	83748.00	123453.00	115827.00	132804.00	124546.00	59108.00	66430.00	77225.00	70543.00	67455.00	87825.00	71455.00	74997.00	96419.00	88931.00	108313.00	111920.00	65537.00	67700.00	95484.00	86228.00	72586.00	84713.00	133351.00	124380.00	72058.00	86063.00	93918.00	94251.00	129630.00	131004.00	71784.00	74670.00
C38 H63 N10 O	9659.00	11353.00	20043.00	22008.00	18895.00	21613.00	21429.00	22338.00	14653.00	16708.00	12012.00	13221.00	19787.00	18821.00	14021.00	12880.00	15957.00	12938.00	21341.00	19990.00	20375.00	20751.00	11859.00	13776.00	13486.00	12743.00	20057.00	24506.00	23616.00	22663.00	20583.00	18900.00	22837.00	20534.00	21485.00	21133.00	12557.00	15086.00	19852.00	19572.00	20867.00	19859.00	21239.00	22570.00	12819.00	14252.00	20289.00	22423.00	17962.00	20134.00	14945.00	15834.00	24146.00	22282.00
Juliflorine	12159.00	11463.00	15443.00	17289.00	15906.00	16678.00	17912.00	17321.00	15059.00	14458.00	14346.00	14780.00	17041.00	17534.00	14087.00	14963.00	15267.00	15737.00	15713.00	17293.00	19566.00	16695.00	15657.00	14975.00	15147.00	14993.00	15728.00	18032.00	16992.00	15701.00	16283.00	16443.00	17439.00	16623.00	15536.00	15937.00	14652.00	15105.00	17440.00	17637.00	17632.00	16472.00	18491.00	16444.00	14719.00	15310.00	15434.00	17278.00	15227.00	15296.00	14279.00	14688.00	17717.00	16091.00
10,15-Octadecadienoic acid, 9,12,13-trihydroxy- Esi-10.622998	16031.00	15706.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	16593.00	17983.00	14887.00	14090.00	1.00	1.00	1.00	1.00	17264.00	15314.00	23304.00	24808.00	16765.00	1.00	19430.00	16310.00	17657.00	19494.00	1.00	1.00	1.00	1.00	16527.00	19396.00	28237.00	27289.00	21641.00	20624.00	25381.00	26820.00	15408.00	14610.00	1.00	1.00	1.00	1.00	16987.00	18084.00	24890.00	19630.00
C13 H8 O16	16658.00	17189.00	18219.00	18341.00	18567.00	17946.00	17090.00	16426.00	18811.00	18754.00	18702.00	17961.00	16343.00	17889.00	18014.00	16695.00	16667.00	16119.00	16662.00	18724.00	16654.00	16999.00	18784.00	17970.00	17466.00	16609.00	15790.00	16788.00	20075.00	17666.00	17622.00	17509.00	18575.00	18714.00	18806.00	18592.00	20931.00	18444.00	19741.00	18259.00	16887.00	17971.00	16350.00	18536.00	18109.00	16723.00	17629.00	16870.00	17238.00	17342.00	19234.00	18588.00	19238.00	18447.00
C6 H Cl3 N2 O2 S4	12291.00	13630.00	13397.00	10225.00	11859.00	9296.00	13063.00	13616.00	12635.00	11464.00	9667.00	13099.00	14385.00	9405.00	12283.00	11219.00	9857.00	11191.00	13597.00	13959.00	12339.00	14317.00	15905.00	10731.00	11442.00	13072.00	11633.00	12258.00	9499.00	11179.00	13265.00	13015.00	14032.00	12255.00	11417.00	12129.00	13152.00	14826.00	13973.00	13944.00	12187.00	12297.00	12999.00	14765.00	15076.00	13273.00	15518.00	15424.00	15028.00	15775.00	10296.00	9412.00	11701.00	12474.00
Cer(d18:1/26:1(17Z))	15889.00	16269.00	11408.00	12408.00	12703.00	12391.00	15289.00	14279.00	15543.00	13813.00	14513.00	15516.00	12492.00	13992.00	17303.00	15018.00	13129.00	13594.00	13973.00	14630.00	13347.00	16063.00	15534.00	15226.00	16233.00	15445.00	12679.00	13010.00	11804.00	11038.00	14825.00	14024.00	13188.00	13909.00	14136.00	13683.00	16472.00	16298.00	13143.00	14315.00	12791.00	14714.00	14357.00	14241.00	16162.00	16845.00	14319.00	16206.00	15112.00	15485.00	16267.00	15021.00	14215.00	14067.00
C21 H O S	17006.00	19094.00	1.00	1.00	14971.00	12694.00	1.00	12802.00	13539.00	16280.00	17290.00	19266.00	13817.00	12847.00	12351.00	12415.00	18826.00	21043.00	1.00	1.00	14751.00	13499.00	15444.00	15249.00	19403.00	19039.00	13553.00	14402.00	13663.00	12980.00	15308.00	13315.00	15460.00	14515.00	15607.00	15211.00	15809.00	17081.00	14429.00	14156.00	14205.00	14641.00	11957.00	1.00	17181.00	16368.00	14952.00	14713.00	17604.00	15680.00	18201.00	16258.00	13016.00	13508.00
Idebenone Metabolite (QS-4)	15742.00	19235.00	18126.00	19090.00	18643.00	17359.00	17998.00	18738.00	18213.00	19245.00	18254.00	15616.00	18039.00	18448.00	20471.00	19580.00	20996.00	17296.00	17437.00	18490.00	20198.00	19265.00	17412.00	16682.00	17811.00	17173.00	17826.00	19898.00	16976.00	17509.00	18597.00	19190.00	19436.00	18373.00	16761.00	17760.00	15815.00	16069.00	18409.00	16211.00	19580.00	19019.00	20170.00	18597.00	19343.00	20803.00	19532.00	17574.00	19298.00	18944.00	19119.00	16685.00	15755.00	19074.00
12R,13S-epoxy-9S-hydroxy-10E-octadecenoic acid Esi-11.322999	26525.00	26959.00	262345.00	229619.00	1.00	1.00	193657.00	1.00	15442.00	17743.00	19496.00	21448.00	274682.00	261161.00	31258.00	30491.00	867482.00	1.00	1.00	1.00	24243.00	585498.00	25197.00	28921.00	35776.00	34640.00	26012.00	20500.00	31721.00	32780.00	23546.00	22673.00	219567.00	175423.00	14281.00	275374.00	25246.00	22383.00	40780.00	43707.00	36732.00	35536.00	42103.00	42289.00	18848.00	415274.00	1.00	231384.00	326328.00	308607.00	20355.00	20389.00	33952.00	26441.00
C33 H70 N9	1.00	1.00	20269.00	23126.00	21385.00	21085.00	18333.00	19512.00	14520.00	11026.00	1.00	11369.00	14100.00	16082.00	12369.00	12559.00	10347.00	1.00	17692.00	17675.00	17675.00	18448.00	11071.00	9892.00	12007.00	10342.00	19489.00	16709.00	17604.00	20529.00	15135.00	20022.00	15398.00	16908.00	15845.00	17488.00	11711.00	12691.00	20096.00	22017.00	13315.00	15343.00	19258.00	20634.00	12198.00	10160.00	16956.00	18571.00	15008.00	16394.00	11523.00	10766.00	14361.00	18890.00
Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate	26707.00	23913.00	30164.00	19609.00	30366.00	29830.00	27551.00	44542.00	28732.00	36166.00	28533.00	23940.00	34383.00	17907.00	41498.00	30045.00	15157.00	14165.00	30553.00	25663.00	21591.00	30714.00	30040.00	26399.00	15114.00	16747.00	21067.00	20315.00	29721.00	22821.00	16307.00	14177.00	24353.00	21796.00	27600.00	29625.00	19830.00	21554.00	25094.00	18328.00	27202.00	20028.00	20979.00	28086.00	28820.00	25358.00	28341.00	26583.00	32382.00	24140.00	29074.00	21143.00	46817.00	25892.00
C46 H69 N13	18742.00	19859.00	12884.00	12859.00	12323.00	14486.00	15963.00	13912.00	12346.00	13425.00	20174.00	19012.00	16065.00	17374.00	19947.00	19527.00	18209.00	21021.00	16964.00	14492.00	17567.00	17104.00	15331.00	21043.00	17563.00	24110.00	12921.00	14166.00	13033.00	12922.00	14093.00	15910.00	12517.00	14150.00	16374.00	17232.00	21409.00	18206.00	13550.00	12323.00	15944.00	16014.00	14160.00	14074.00	18661.00	20753.00	15171.00	14949.00	14181.00	15947.00	17269.00	19811.00	9927.00	14224.00
C6 H3 N5 O2 S Esi-4.872001	1.00	1.00	1.00	20755.00	16740.00	14880.00	33992.00	30122.00	15540.00	1.00	12816.00	13838.00	1.00	1.00	21990.00	22396.00	1.00	14756.00	28984.00	1.00	1.00	1.00	30888.00	1.00	1.00	16796.00	1.00	1.00	24717.00	1.00	1.00	1.00	23075.00	21144.00	1.00	1.00	1.00	1.00	20460.00	18245.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	30576.00	1.00	1.00	1.00	1.00	1.00	1.00
C4 H7 Cl O2 S	20015.00	22629.00	12039.00	10510.00	1.00	17346.00	12511.00	10918.00	15819.00	18498.00	19280.00	19413.00	15327.00	18256.00	14743.00	17205.00	19211.00	18504.00	15506.00	12000.00	1.00	1.00	17983.00	19758.00	17968.00	18957.00	15750.00	11565.00	15708.00	12320.00	1.00	16035.00	1.00	10843.00	16135.00	12208.00	14425.00	16494.00	14661.00	13171.00	11773.00	18129.00	1.00	1.00	17859.00	16185.00	11012.00	17253.00	1.00	12819.00	16150.00	19564.00	1.00	12036.00
C12 H2 N2 O	14978.00	15931.00	16142.00	14481.00	12172.00	12515.00	16050.00	16134.00	14654.00	15430.00	16504.00	18952.00	20745.00	20929.00	15914.00	14368.00	18076.00	17935.00	15183.00	13400.00	15192.00	13580.00	12219.00	11580.00	14073.00	13388.00	19494.00	17147.00	20316.00	20211.00	16974.00	13506.00	13629.00	12744.00	13157.00	14724.00	14400.00	13571.00	20850.00	21472.00	19046.00	18202.00	17336.00	17646.00	14042.00	15049.00	16885.00	16377.00	19399.00	16848.00	17126.00	17861.00	13290.00	14512.00
Eosin	18100.00	17478.00	1.00	1.00	10065.00	1.00	10472.00	11253.00	10465.00	11691.00	14992.00	15222.00	10076.00	10226.00	14694.00	14820.00	13561.00	14362.00	11059.00	10883.00	10609.00	11321.00	16734.00	16844.00	15441.00	15417.00	9837.00	1.00	10640.00	1.00	12169.00	12038.00	10378.00	10746.00	11735.00	11432.00	13976.00	16229.00	12046.00	12463.00	11891.00	11525.00	10314.00	11546.00	15609.00	18310.00	11739.00	11765.00	11246.00	12298.00	15564.00	14778.00	10659.00	10925.00
C3 H2 N2 O7 Esi-0.93000025 :1	95230.00	94235.00	45090.00	50759.00	44779.00	49883.00	60197.00	65949.00	70292.00	69612.00	96828.00	86277.00	64048.00	60207.00	86925.00	87831.00	93249.00	75971.00	62633.00	59498.00	69399.00	57119.00	94944.00	94868.00	97410.00	91653.00	68939.00	62236.00	71671.00	73311.00	65530.00	73473.00	64536.00	60990.00	70659.00	78988.00	96819.00	95387.00	84701.00	59561.00	67758.00	71646.00	65912.00	67297.00	93870.00	81160.00	68662.00	67376.00	71561.00	70105.00	91466.00	80862.00	66820.00	64608.00
17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carboxylic acid, gamma-lactone Esi-11.466002	27426.00	26055.00	59460.00	69451.00	53523.00	63930.00	57585.00	74485.00	58842.00	62775.00	76001.00	68545.00	66814.00	63976.00	26884.00	24402.00	17957.00	53575.00	65284.00	70412.00	58850.00	60200.00	26843.00	19972.00	61963.00	22972.00	58245.00	59838.00	63081.00	69482.00	62722.00	57921.00	63576.00	50975.00	63651.00	65217.00	22285.00	70017.00	62427.00	61614.00	57420.00	61099.00	62138.00	58866.00	67369.00	64437.00	64436.00	56089.00	60328.00	65220.00	71380.00	62714.00	52441.00	60647.00
Decarbamoylsaxitoxin	1.00	26318.00	36255.00	161588.00	26698.00	119054.00	38668.00	24507.00	108751.00	28554.00	35240.00	105289.00	191291.00	53861.00	176388.00	1.00	1.00	41223.00	57770.00	37118.00	21225.00	94837.00	35313.00	1.00	1.00	1.00	140520.00	26013.00	63081.00	34529.00	1.00	49111.00	26886.00	103901.00	92471.00	133714.00	27177.00	33327.00	59296.00	40341.00	41951.00	38010.00	65339.00	116264.00	37203.00	151991.00	65090.00	137503.00	30561.00	32841.00	1.00	40069.00	38079.00	1.00
C28 H45 N20	1.00	1.00	30386.00	23320.00	30769.00	1.00	26362.00	138847.00	1.00	1.00	1.00	1.00	31428.00	1.00	1.00	1.00	1.00	1.00	30561.00	1.00	68315.00	1.00	1.00	1.00	1.00	1.00	53684.00	1.00	74386.00	65079.00	1.00	66529.00	27735.00	1.00	1.00	1.00	1.00	1.00	35937.00	21829.00	26632.00	1.00	31142.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	61633.00	1.00
C29 H49 N3 O12 Esi-6.8890047	85291.00	130459.00	45227.00	50394.00	127312.00	131604.00	85764.00	90245.00	48514.00	50521.00	170188.00	143209.00	70977.00	86441.00	214316.00	215426.00	74947.00	74645.00	113439.00	115804.00	81193.00	51789.00	152813.00	150562.00	108541.00	115599.00	71023.00	68007.00	72026.00	77652.00	99653.00	67288.00	84877.00	82381.00	103016.00	103393.00	202421.00	204983.00	81516.00	85671.00	64738.00	64592.00	39152.00	67093.00	329015.00	323777.00	76845.00	80452.00	106981.00	105754.00	183524.00	190335.00	62473.00	91672.00
Pregna-4,16-diene-3,11,20-trione Esi-10.6069975	20474.00	19533.00	1.00	1.00	1.00	24486.00	1.00	1.00	1.00	19729.00	1.00	18148.00	22211.00	1.00	41279.00	22397.00	13512.00	1.00	1.00	24349.00	17998.00	1.00	1.00	1.00	1.00	1.00	1.00	16524.00	1.00	1.00	14574.00	1.00	18904.00	16108.00	18167.00	19911.00	1.00	21566.00	12670.00	1.00	1.00	1.00	40607.00	39700.00	16463.00	16269.00	16238.00	17460.00	20601.00	1.00	23796.00	1.00	1.00	19947.00
Butopyronoxyl Esi-7.959233	15357.00	26317.00	32697.00	29541.00	59182.00	48953.00	86449.00	51535.00	22472.00	19742.00	31170.00	52815.00	47993.00	25427.00	22141.00	22422.00	28731.00	66553.00	45703.00	52656.00	22990.00	52629.00	1.00	1.00	33319.00	28499.00	55787.00	25349.00	16153.00	58526.00	31531.00	29164.00	32012.00	55398.00	21952.00	27568.00	33743.00	13622.00	75200.00	34800.00	23752.00	55082.00	144192.00	24189.00	45465.00	86974.00	17543.00	35811.00	18007.00	14902.00	18048.00	18919.00	69669.00	20723.00
C31 H67 N15 O11	13769.00	12646.00	12857.00	13716.00	14501.00	16127.00	15016.00	16043.00	14474.00	13632.00	15212.00	14878.00	14940.00	17011.00	17539.00	16439.00	18125.00	16936.00	13665.00	16417.00	17022.00	15689.00	15382.00	14700.00	14788.00	17894.00	16476.00	16413.00	15258.00	15149.00	13368.00	14685.00	15151.00	15447.00	16467.00	16224.00	16544.00	15068.00	14377.00	15353.00	16066.00	14908.00	13885.00	14652.00	16706.00	16503.00	12832.00	15602.00	14440.00	15290.00	16260.00	18374.00	14504.00	15051.00
C9 H2 Cl2 N3 O7 S3	19368.00	19255.00	10225.00	1.00	11546.00	10078.00	11115.00	10257.00	14598.00	13600.00	19705.00	17008.00	12207.00	14185.00	18612.00	17948.00	16838.00	17217.00	11470.00	12760.00	12439.00	11795.00	20554.00	19294.00	21391.00	19950.00	11934.00	13228.00	11688.00	11824.00	12153.00	14679.00	11522.00	11220.00	15265.00	13207.00	18208.00	19046.00	12335.00	13100.00	12270.00	11690.00	12603.00	14427.00	19464.00	21237.00	14097.00	16129.00	16587.00	14297.00	18218.00	20036.00	11425.00	11984.00
2-Iodophenol Esi-12.980995	60982.00	1.00	41824.00	52332.00	51652.00	61228.00	64426.00	1.00	1.00	90362.00	1.00	1.00	120566.00	277688.00	1.00	1.00	91412.00	168879.00	263988.00	1.00	27270.00	102460.00	94043.00	205653.00	1.00	1.00	27570.00	1.00	70002.00	44020.00	61767.00	66501.00	45009.00	422778.00	51910.00	30322.00	1.00	1.00	83249.00	234812.00	38715.00	85899.00	132693.00	1.00	160788.00	1.00	1.00	1.00	48846.00	88180.00	1.00	84913.00	207616.00	1.00
Tyramine-O-sulfate	17940.00	19692.00	11582.00	14079.00	11677.00	10668.00	12306.00	11434.00	13665.00	12481.00	21062.00	19126.00	16178.00	16870.00	15787.00	16292.00	1.00	11304.00	13020.00	15129.00	10908.00	11816.00	12436.00	13817.00	15174.00	14071.00	13622.00	16214.00	18835.00	15322.00	12908.00	13754.00	14011.00	15395.00	12475.00	12422.00	15294.00	16217.00	14157.00	14422.00	16876.00	19023.00	15170.00	14977.00	13344.00	13224.00	12872.00	1.00	13099.00	13346.00	14409.00	16327.00	15746.00	14314.00
Medicagol	18741.00	20540.00	18587.00	17546.00	19765.00	19642.00	22249.00	21513.00	19343.00	20551.00	23028.00	20138.00	16846.00	15124.00	15777.00	16791.00	21215.00	19479.00	17413.00	17979.00	17658.00	18512.00	18748.00	19801.00	21438.00	22810.00	20145.00	23386.00	19194.00	17519.00	21579.00	21264.00	17839.00	18790.00	18221.00	19183.00	20285.00	18903.00	22074.00	17963.00	18502.00	17672.00	19773.00	16325.00	18741.00	18497.00	20212.00	18364.00	19275.00	20590.00	23630.00	24530.00	20734.00	21173.00
C49 H100 Cl S	17538.00	18008.00	1.00	1.00	10369.00	9996.00	11996.00	10895.00	10647.00	10675.00	14985.00	14648.00	11427.00	11747.00	14444.00	14998.00	16193.00	15803.00	10113.00	10187.00	10605.00	12284.00	17629.00	17148.00	15790.00	16573.00	11767.00	11601.00	10979.00	1.00	11070.00	11456.00	11255.00	11477.00	11347.00	13120.00	16324.00	15978.00	10442.00	10948.00	11892.00	11554.00	10421.00	1.00	15278.00	15582.00	11401.00	12006.00	12030.00	11679.00	14252.00	16649.00	10120.00	1.00
C29 H53 N2 O13	1.00	1.00	129085.00	54263.00	137577.00	91709.00	137270.00	296151.00	73722.00	104023.00	1.00	17351.00	141859.00	47467.00	1.00	1.00	34642.00	26073.00	182435.00	98784.00	228527.00	42424.00	19978.00	22561.00	47832.00	36604.00	186234.00	82980.00	298827.00	305991.00	49613.00	139818.00	168781.00	38685.00	28670.00	111460.00	1.00	21213.00	101713.00	68807.00	79530.00	31067.00	99896.00	26348.00	1.00	1.00	16333.00	17102.00	35908.00	18760.00	59721.00	41211.00	203538.00	56104.00
PS(17:1(9Z)/0:0)	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12877.00	13724.00	1.00	1.00	13774.00	13446.00	11702.00	11287.00	1.00	1.00	12077.00	10947.00	1.00	11733.00	17722.00	17591.00	1.00	1.00	13376.00	13767.00	1.00	1.00	11618.00	1.00	1.00	1.00	1.00	1.00	10387.00	10993.00	11342.00	10649.00	1.00	1.00	13447.00	12218.00	1.00	1.00	1.00	1.00	12048.00	11104.00	11967.00	11293.00
(R)-(+)-2-Pyrrolidone-5-carboxylic acid Esi-1.5370001	14833.00	16267.00	16516.00	19537.00	18161.00	15609.00	15717.00	15903.00	14560.00	1.00	16169.00	16363.00	19760.00	20886.00	21280.00	19761.00	19512.00	17340.00	20044.00	22325.00	17176.00	19244.00	20277.00	21155.00	19211.00	18214.00	18850.00	21437.00	18351.00	17572.00	25234.00	21576.00	20518.00	23724.00	19617.00	16689.00	20258.00	19089.00	20510.00	19581.00	20122.00	18997.00	20832.00	19978.00	18198.00	17803.00	20440.00	18353.00	27384.00	24475.00	25400.00	24639.00	24280.00	25688.00
5-Hydroxymethyl-2-furaldehyde Esi-8.503001	1.00	1.00	15805.00	1.00	1.00	1.00	1.00	73153.00	23625.00	16061.00	1.00	1.00	1.00	18374.00	1.00	1.00	20243.00	17559.00	1.00	1.00	24366.00	16891.00	1.00	1.00	46757.00	20927.00	26372.00	1.00	55396.00	89497.00	1.00	1.00	20502.00	1.00	1.00	1.00	1.00	1.00	16689.00	61030.00	16402.00	16429.00	1.00	18229.00	1.00	1.00	1.00	1.00	1.00	1.00	37027.00	17519.00	1.00	34520.00
C8 H7 N7 O3	1.00	1.00	16034.00	14357.00	14015.00	14245.00	15178.00	16105.00	14762.00	15906.00	19502.00	20022.00	13056.00	13199.00	13453.00	12345.00	15530.00	16779.00	1.00	12478.00	14804.00	15660.00	14079.00	15834.00	13814.00	13392.00	18446.00	18407.00	18792.00	18798.00	16213.00	17324.00	13980.00	13375.00	16335.00	16741.00	13586.00	14192.00	15549.00	14737.00	17822.00	18756.00	18940.00	16806.00	13330.00	15571.00	19926.00	18546.00	13989.00	13733.00	17733.00	16944.00	1.00	15259.00
Gly Asn His Esi-0.8800002	149853.00	159019.00	197964.00	194277.00	167266.00	170223.00	9586.00	181184.00	216306.00	221734.00	203370.00	216678.00	14291.00	13766.00	188642.00	185204.00	148782.00	154159.00	214402.00	220077.00	168103.00	179874.00	211284.00	205308.00	196784.00	191124.00	16151.00	17050.00	10927.00	11778.00	10602.00	9035.00	185902.00	184653.00	196746.00	196110.00	213320.00	207976.00	9124.00	11055.00	10775.00	9710.00	10282.00	10945.00	191026.00	199197.00	204878.00	202542.00	189436.00	193518.00	190566.00	192416.00	10837.00	10491.00
C28 H41 N7 O4 Esi-10.8150015	18718.00	21202.00	51598.00	47714.00	121836.00	49213.00	60147.00	82134.00	110946.00	49246.00	30143.00	32461.00	55907.00	52688.00	33217.00	34562.00	70938.00	27456.00	61740.00	54247.00	70537.00	54886.00	27335.00	30066.00	30076.00	29417.00	60641.00	45332.00	99396.00	102691.00	37952.00	115755.00	65428.00	57270.00	38808.00	44139.00	31164.00	34425.00	113805.00	44344.00	44150.00	40616.00	41634.00	34487.00	26241.00	31010.00	31699.00	32947.00	47221.00	47459.00	30847.00	22804.00	69805.00	46475.00
C6 H8 Cl	18879.00	20867.00	31012.00	29762.00	17220.00	20733.00	1.00	34791.00	1.00	1.00	38877.00	36393.00	20696.00	25230.00	32499.00	21689.00	20979.00	17994.00	26179.00	18751.00	15024.00	27181.00	23004.00	32493.00	31419.00	34728.00	14848.00	26909.00	27564.00	17918.00	28473.00	24401.00	27434.00	16155.00	17944.00	17703.00	19356.00	15699.00	15930.00	23552.00	19512.00	20705.00	15692.00	28378.00	21397.00	33861.00	35488.00	18205.00	34075.00	18527.00	19416.00	23926.00	16641.00	29290.00
2',4'-Dihydroxy-6'-methoxy-3',5'-dimethylchalcone	5253.00	5372.00	5649.00	8011.00	10019.00	7713.00	7867.00	7263.00	9501.00	10549.00	5472.00	3839.00	4335.00	5346.00	7190.00	8938.00	8165.00	8799.00	17485.00	16808.00	7964.00	6398.00	4237.00	4822.00	3484.00	4357.00	7641.00	8138.00	7948.00	7530.00	15588.00	18999.00	12191.00	11104.00	10465.00	10448.00	5787.00	5967.00	10020.00	11888.00	4506.00	4563.00	7315.00	5702.00	14261.00	14962.00	7562.00	7656.00	10155.00	8994.00	5360.00	5783.00	8196.00	7821.00
C19 H14 O11	13740.00	12093.00	10660.00	10421.00	13364.00	12142.00	9672.00	1.00	14198.00	12063.00	12993.00	13982.00	13416.00	13681.00	1.00	1.00	14169.00	13719.00	9995.00	9414.00	11556.00	11145.00	1.00	9360.00	15872.00	15642.00	10966.00	12228.00	13869.00	13461.00	13634.00	11629.00	15080.00	15686.00	13905.00	13877.00	16972.00	19420.00	12132.00	11904.00	15828.00	14804.00	10584.00	11227.00	18091.00	17509.00	13341.00	13245.00	13119.00	14874.00	11838.00	12943.00	13389.00	12791.00
Sulfaphenazole Esi-10.765996	14714.00	13147.00	13762.00	14275.00	13829.00	13297.00	14066.00	12504.00	13971.00	14202.00	15808.00	14247.00	13969.00	14612.00	13802.00	15032.00	15293.00	13299.00	13135.00	12230.00	12553.00	14749.00	14426.00	13026.00	14907.00	13937.00	13754.00	12467.00	15145.00	14785.00	14255.00	14882.00	13163.00	13045.00	12535.00	15048.00	14758.00	15392.00	14313.00	14151.00	13883.00	14050.00	13833.00	12988.00	14949.00	15182.00	13986.00	15018.00	14503.00	13522.00	16072.00	15303.00	14636.00	15152.00
C6 H4 N O2 S3 Esi-1.1749995	56305.00	56384.00	43007.00	43381.00	1.00	1.00	1.00	1.00	51375.00	1.00	36269.00	33259.00	52513.00	50946.00	48832.00	38024.00	53162.00	49015.00	1.00	176310.00	58089.00	66101.00	52935.00	52558.00	58594.00	52853.00	1.00	48584.00	42614.00	50001.00	1.00	19046.00	50213.00	68525.00	54508.00	1.00	1.00	35216.00	42016.00	43156.00	57249.00	54152.00	45814.00	46200.00	164266.00	42031.00	36778.00	66735.00	28983.00	1.00	12084.00	48356.00	41680.00	12477.00
N-octanoyl-L-Homoserine lactone	15071.00	15746.00	16531.00	17471.00	17682.00	16661.00	16793.00	16882.00	16089.00	17494.00	18417.00	16168.00	15185.00	17077.00	17571.00	18253.00	16069.00	16783.00	17748.00	19393.00	18073.00	15453.00	17973.00	16498.00	17997.00	17431.00	18143.00	19180.00	17700.00	19139.00	17647.00	17746.00	17897.00	15850.00	18678.00	18185.00	17734.00	16852.00	18625.00	20211.00	17073.00	16893.00	15962.00	18039.00	17149.00	18134.00	16833.00	18107.00	16559.00	16527.00	17452.00	14944.00	19329.00	18286.00
Corey PG-Lactone Diol	5151.00	5244.00	10805.00	8811.00	11235.00	9887.00	9482.00	14895.00	8108.00	8901.00	6730.00	8464.00	12214.00	9107.00	6648.00	6614.00	8492.00	7705.00	9902.00	9259.00	12577.00	7370.00	7798.00	8074.00	8422.00	8156.00	12413.00	9103.00	18350.00	15748.00	9449.00	12723.00	14254.00	8035.00	7321.00	9959.00	5929.00	5950.00	9269.00	10049.00	10662.00	8040.00	10358.00	7811.00	6220.00	7314.00	6181.00	6060.00	7133.00	6389.00	10180.00	7892.00	14464.00	9122.00
C5 H9 N7 O2 Esi-1.8980008 :1	60108.00	64646.00	63886.00	62276.00	75473.00	75419.00	69607.00	71733.00	101164.00	100517.00	115196.00	117816.00	59052.00	64280.00	75770.00	73954.00	83552.00	83648.00	86446.00	86497.00	79569.00	85653.00	86852.00	87078.00	75617.00	74125.00	97712.00	97906.00	74295.00	73763.00	76555.00	75510.00	77142.00	77311.00	83644.00	88521.00	84079.00	83174.00	111419.00	105688.00	75650.00	76283.00	81637.00	77191.00	78516.00	88182.00	106248.00	107327.00	100994.00	102560.00	110124.00	114909.00	109278.00	106297.00
C3 H3 N4 O5 Esi-1.3880004	88980.00	90137.00	115518.00	118592.00	125831.00	134143.00	121315.00	120984.00	108738.00	99718.00	117044.00	111756.00	91456.00	59724.00	89723.00	81885.00	94040.00	92546.00	94099.00	91389.00	96587.00	102186.00	99692.00	98988.00	75085.00	97804.00	107368.00	108832.00	56140.00	74212.00	55688.00	60115.00	109484.00	114283.00	103143.00	103801.00	53677.00	49819.00	63950.00	79755.00	80175.00	86692.00	60800.00	82867.00	95747.00	97566.00	121544.00	118723.00	125586.00	116904.00	91654.00	92565.00	97406.00	101819.00
C29 H45 N10 O21	11494.00	10124.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	15425.00	14709.00	1.00	1.00	17103.00	18518.00	11531.00	11536.00	10295.00	1.00	13155.00	12940.00	15761.00	14736.00	19730.00	17645.00	1.00	10814.00	12622.00	11279.00	12249.00	13196.00	1.00	1.00	1.00	1.00	12475.00	14560.00	10768.00	1.00	11051.00	10802.00	10853.00	10373.00	14117.00	15598.00	1.00	11600.00	1.00	1.00	16072.00	14468.00	10735.00	1.00
C4 H4 O4 S2	1.00	1.00	1.00	1.00	1.00	1.00	11817.00	1.00	11747.00	9716.00	1.00	1.00	10961.00	9939.00	10265.00	12380.00	12592.00	15532.00	1.00	10782.00	1.00	1.00	1.00	17126.00	17879.00	14495.00	12541.00	13540.00	1.00	1.00	1.00	13157.00	1.00	1.00	13739.00	8757.00	10754.00	14130.00	9567.00	12067.00	11534.00	11394.00	12746.00	1.00	16080.00	20095.00	18204.00	18603.00	15370.00	15076.00	11523.00	11662.00	13373.00	11580.00
C34 H69 N19 O2	15012.00	18053.00	14119.00	12596.00	15983.00	14848.00	16219.00	15290.00	13239.00	15515.00	16900.00	18711.00	13528.00	16479.00	16716.00	19247.00	18761.00	19408.00	16096.00	13707.00	14965.00	15995.00	17957.00	17441.00	17930.00	19144.00	15463.00	14905.00	14475.00	14324.00	13305.00	16256.00	15779.00	13590.00	15121.00	16003.00	18725.00	16492.00	16256.00	13951.00	16083.00	15758.00	13739.00	14789.00	17838.00	18133.00	15166.00	16376.00	13568.00	15553.00	18303.00	18719.00	14119.00	13193.00
C8 H18 N2 O S2	119665.00	125092.00	103445.00	108109.00	158093.00	155220.00	148409.00	146522.00	95698.00	89548.00	54110.00	51749.00	122309.00	119787.00	60732.00	58218.00	142649.00	151173.00	63311.00	59471.00	190919.00	179215.00	146709.00	145088.00	95138.00	89062.00	59901.00	52750.00	179751.00	182486.00	42368.00	45860.00	69462.00	69335.00	125073.00	127591.00	152231.00	157270.00	132189.00	138815.00	99004.00	97681.00	104361.00	106105.00	56049.00	53715.00	88569.00	97420.00	65919.00	72031.00	91794.00	99994.00	75864.00	78484.00
C55 H20 N7 O	13883.00	14017.00	15154.00	14391.00	16635.00	15695.00	15405.00	13349.00	16561.00	15716.00	16707.00	15174.00	17377.00	14578.00	15396.00	13229.00	17985.00	13676.00	18444.00	16087.00	16493.00	16712.00	15121.00	12606.00	15266.00	14462.00	15962.00	15754.00	15854.00	14736.00	17415.00	15708.00	16497.00	15129.00	16386.00	17555.00	17374.00	15377.00	15209.00	15320.00	18856.00	14544.00	20364.00	15204.00	14962.00	14251.00	13572.00	15900.00	15663.00	15908.00	18484.00	15812.00	16949.00	17106.00
C13 H2 N O13 S2 Esi-13.447999 :1	41506.00	56325.00	133277.00	1.00	1.00	23358.00	24509.00	1.00	1.00	53769.00	1.00	1.00	1.00	1.00	1.00	1.00	26495.00	14969.00	17732.00	24023.00	29450.00	1.00	1.00	1.00	24710.00	121024.00	19144.00	20696.00	17745.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	88519.00	42262.00	23366.00	18614.00	23251.00	282962.00	20467.00	73960.00	109479.00	1.00	100125.00	18760.00	31729.00	1.00	19168.00	1.00	25907.00	1.00
Dihydrojasmonic Acid, Methyl Ester	20566.00	20334.00	20525.00	18253.00	21352.00	19381.00	18671.00	21064.00	21049.00	20682.00	21442.00	19811.00	18386.00	19402.00	20287.00	21538.00	22103.00	20916.00	21079.00	21334.00	21596.00	19157.00	20694.00	18248.00	20108.00	18940.00	20463.00	18238.00	19986.00	22438.00	18867.00	20771.00	20069.00	17126.00	18485.00	20161.00	19503.00	20046.00	21228.00	20581.00	20354.00	20344.00	18612.00	21442.00	20706.00	19589.00	19640.00	17486.00	20551.00	21295.00	19920.00	20223.00	21920.00	18864.00
C46 H87 N5	22591.00	25381.00	10048.00	1.00	10118.00	1.00	10511.00	10532.00	12770.00	13834.00	18640.00	19940.00	10792.00	11262.00	25099.00	20253.00	17321.00	19369.00	9573.00	10936.00	12383.00	11951.00	22979.00	22857.00	25443.00	21890.00	9515.00	9498.00	10926.00	1.00	15577.00	11041.00	9664.00	11300.00	16377.00	14639.00	25615.00	21551.00	11539.00	10347.00	14021.00	14090.00	12864.00	1.00	20912.00	21524.00	14420.00	12935.00	16230.00	14603.00	24286.00	21238.00	10443.00	11704.00
Furfural diethyl acetal Esi-7.7229986	30325.00	26433.00	76711.00	13427.00	51266.00	49909.00	31486.00	45063.00	44245.00	26700.00	36902.00	54321.00	42267.00	12671.00	45232.00	66222.00	66647.00	14345.00	44450.00	41641.00	58985.00	52101.00	61392.00	47856.00	61319.00	96563.00	56036.00	49008.00	52872.00	15683.00	20416.00	85037.00	47195.00	44102.00	12248.00	52681.00	41575.00	41670.00	54320.00	12507.00	51988.00	47689.00	13727.00	45574.00	76911.00	75792.00	38335.00	46328.00	41489.00	37012.00	57061.00	92695.00	62458.00	59362.00
C17 H4 N O15 S2	17177.00	18290.00	1.00	1.00	1.00	1.00	12942.00	12265.00	12796.00	12208.00	15853.00	16819.00	12457.00	11684.00	15899.00	16701.00	15532.00	16062.00	12259.00	1.00	11976.00	13194.00	18172.00	19503.00	14609.00	16488.00	11898.00	12359.00	11767.00	12659.00	12508.00	1.00	13163.00	12392.00	14671.00	13237.00	17296.00	15439.00	12237.00	13072.00	12745.00	15242.00	11901.00	11784.00	15679.00	15719.00	13482.00	13295.00	14387.00	12715.00	15621.00	16685.00	1.00	13076.00
C10 H4 N2 O5 S Esi-7.2070003	15780.00	13457.00	16791.00	18775.00	16222.00	15378.00	13730.00	14635.00	15598.00	14727.00	14378.00	17114.00	11493.00	16984.00	13329.00	17392.00	17487.00	15249.00	15573.00	15992.00	13283.00	15381.00	16088.00	15149.00	18800.00	14750.00	13415.00	15365.00	14065.00	15904.00	14760.00	14925.00	16742.00	15660.00	16728.00	16749.00	13644.00	13614.00	18668.00	18614.00	18435.00	15456.00	19763.00	15521.00	14955.00	15932.00	15436.00	13690.00	15827.00	14873.00	17567.00	18084.00	12885.00	14912.00
C8 H14 N3 O7	12642.00	11253.00	16399.00	17292.00	18064.00	19785.00	18148.00	17194.00	13717.00	13923.00	16713.00	16506.00	13734.00	11568.00	12031.00	14382.00	14903.00	14906.00	13595.00	14358.00	14048.00	14724.00	15719.00	15580.00	15877.00	15792.00	15475.00	16509.00	9452.00	9345.00	11918.00	11588.00	17230.00	16256.00	14433.00	16216.00	9270.00	9511.00	11343.00	11877.00	11127.00	10367.00	1.00	9384.00	16282.00	14552.00	18786.00	18541.00	16983.00	17217.00	15963.00	14736.00	13327.00	13357.00
C4 H Cl3 N5 S4	12156.00	14078.00	14274.00	12006.00	13176.00	13834.00	13890.00	14020.00	15501.00	13813.00	14649.00	15296.00	13487.00	13277.00	15342.00	16550.00	14943.00	16186.00	12913.00	14210.00	14026.00	13361.00	16266.00	17355.00	14908.00	13349.00	14740.00	13105.00	13836.00	11176.00	14432.00	14291.00	12729.00	12081.00	14903.00	16243.00	15296.00	14147.00	15327.00	14280.00	15299.00	15678.00	15311.00	16419.00	13727.00	14659.00	16138.00	14506.00	19318.00	17310.00	15449.00	15733.00	13003.00	14297.00
5-Phenylvaleric acid	1.00	13567.00	1.00	11015.00	1.00	17829.00	17262.00	1.00	16929.00	15244.00	17540.00	14848.00	15442.00	1.00	21951.00	18134.00	23778.00	25215.00	11403.00	1.00	21724.00	20192.00	1.00	15107.00	1.00	17339.00	23193.00	1.00	18872.00	25346.00	1.00	19777.00	20124.00	1.00	1.00	13884.00	1.00	14092.00	19122.00	1.00	14451.00	14477.00	1.00	12851.00	1.00	12784.00	1.00	1.00	12813.00	19008.00	13430.00	14422.00	10540.00	13295.00
Hexadecanedioic acid Esi-10.937997	13140.00	53714.00	1.00	1.00	1.00	1.00	1.00	1.00	26077.00	27946.00	28643.00	20959.00	1.00	1.00	40370.00	41108.00	39619.00	38997.00	1.00	1.00	32706.00	25743.00	41198.00	12511.00	18583.00	21674.00	42377.00	39417.00	42294.00	46330.00	37529.00	41422.00	1.00	1.00	1.00	1.00	48790.00	49301.00	13685.00	13562.00	19504.00	15841.00	20993.00	19826.00	46480.00	45101.00	1.00	1.00	36232.00	25693.00	12599.00	49491.00	20583.00	17115.00
15-hydroxy stearic acid Esi-12.255004 :1	12244.00	13470.00	11163.00	13380.00	15722.00	11418.00	24236.00	22135.00	20831.00	23512.00	11571.00	19982.00	18357.00	13496.00	14648.00	12355.00	11723.00	19541.00	58985.00	11861.00	28336.00	23304.00	10994.00	19640.00	79173.00	20664.00	19705.00	15764.00	33360.00	39064.00	8137.00	17354.00	15655.00	10301.00	28283.00	9340.00	16666.00	8114.00	28578.00	15800.00	18330.00	14126.00	17387.00	19050.00	16016.00	66343.00	15066.00	17934.00	19133.00	27994.00	13828.00	50750.00	18907.00	15824.00
C9 H5 Cl O5 S3	47599.00	47893.00	29254.00	30603.00	31622.00	33292.00	33979.00	34641.00	35163.00	36072.00	42151.00	44604.00	33779.00	33592.00	43678.00	44805.00	42688.00	41953.00	32139.00	36094.00	35886.00	35117.00	49552.00	51953.00	46241.00	43486.00	33346.00	34343.00	33548.00	34783.00	35357.00	33404.00	34576.00	35359.00	37654.00	37401.00	46044.00	45233.00	34346.00	35871.00	37463.00	35776.00	33742.00	35699.00	44047.00	46434.00	37597.00	38288.00	39947.00	36457.00	42327.00	48556.00	32746.00	34376.00
Nonate Esi-7.829997	1.00	1.00	12662.00	13157.00	12506.00	1.00	14015.00	15390.00	9703.00	12166.00	1.00	1.00	18282.00	17325.00	12072.00	11484.00	15401.00	13206.00	12558.00	12224.00	14382.00	13394.00	1.00	1.00	17300.00	18314.00	11791.00	10428.00	13812.00	14695.00	18679.00	18741.00	12882.00	13682.00	13890.00	13966.00	1.00	11180.00	13897.00	16013.00	11284.00	11307.00	12325.00	10851.00	14129.00	13877.00	10863.00	12877.00	11572.00	11889.00	17127.00	15191.00	17921.00	15819.00
Pro Pro Lys	73963.00	75743.00	68265.00	72576.00	54533.00	64321.00	67334.00	68709.00	62254.00	62940.00	75385.00	67877.00	66279.00	64951.00	26153.00	24104.00	17393.00	53778.00	59368.00	64635.00	59659.00	60097.00	25832.00	21723.00	59285.00	22453.00	57716.00	57694.00	72915.00	66859.00	57872.00	57088.00	61395.00	51999.00	63752.00	64094.00	21814.00	68833.00	59135.00	65849.00	57190.00	61375.00	62030.00	59750.00	66296.00	66218.00	62817.00	55085.00	59523.00	71281.00	58208.00	20384.00	58177.00	53869.00
C25 H14 N5 O	1.00	1.00	1.00	1.00	1.00	1.00	9603.00	1.00	9826.00	9774.00	15626.00	15997.00	9364.00	1.00	11371.00	11843.00	1.00	10458.00	1.00	10136.00	1.00	1.00	13331.00	13385.00	1.00	1.00	10460.00	10678.00	10028.00	10419.00	9724.00	9383.00	11352.00	12449.00	10385.00	9682.00	12828.00	11054.00	10795.00	11801.00	11975.00	11695.00	1.00	10077.00	1.00	9940.00	14031.00	12631.00	11256.00	12977.00	14110.00	16357.00	13190.00	13666.00
C19 H20 N4 O20 S	1.00	1.00	12973.00	13270.00	1.00	1.00	15571.00	13828.00	12838.00	11690.00	1.00	1.00	1.00	1.00	1.00	1.00	13412.00	13448.00	1.00	1.00	14559.00	16911.00	1.00	1.00	1.00	1.00	13181.00	12416.00	18092.00	17794.00	20375.00	18790.00	15640.00	15705.00	1.00	1.00	18179.00	15468.00	15910.00	16426.00	16039.00	14957.00	15320.00	16096.00	16175.00	17909.00	1.00	1.00	1.00	1.00	16088.00	16483.00	17663.00	16622.00
C41 H77 N15 O	16266.00	18007.00	1.00	10181.00	9180.00	11287.00	12400.00	10585.00	10724.00	9591.00	17358.00	13210.00	12311.00	12507.00	14895.00	16839.00	16167.00	15144.00	11560.00	11488.00	10481.00	12583.00	15872.00	20085.00	16778.00	15448.00	10582.00	9789.00	10938.00	10300.00	12119.00	10902.00	10455.00	11139.00	12276.00	12841.00	15291.00	15544.00	10299.00	9864.00	11980.00	12226.00	10362.00	10328.00	15884.00	16202.00	11846.00	9884.00	11995.00	11882.00	15034.00	13299.00	10800.00	10650.00
C47 H80 N4 S2 Esi-13.4500065	21806.00	25949.00	15422.00	56069.00	32821.00	38532.00	14167.00	25942.00	1.00	15760.00	22865.00	22459.00	62406.00	27030.00	16081.00	68427.00	39115.00	30964.00	26518.00	63644.00	1.00	1.00	35399.00	15723.00	35121.00	21017.00	1.00	47448.00	15245.00	251383.00	1.00	22330.00	1.00	22583.00	23047.00	46193.00	1.00	25873.00	81228.00	57976.00	55697.00	38250.00	85197.00	33849.00	15954.00	14455.00	23009.00	16326.00	12888.00	15691.00	81107.00	38633.00	135388.00	36056.00
Cytidine Esi-1.2560002	10433.00	11132.00	13169.00	12357.00	12579.00	13031.00	10316.00	12011.00	10355.00	9863.00	1.00	1.00	1.00	9439.00	12712.00	10768.00	19966.00	19010.00	11338.00	10345.00	16007.00	14091.00	10084.00	10070.00	1.00	10096.00	14540.00	13713.00	13949.00	13263.00	11567.00	11003.00	1.00	1.00	11764.00	9977.00	10696.00	10643.00	11031.00	11865.00	12508.00	11842.00	16387.00	14803.00	10599.00	10332.00	12875.00	14999.00	12143.00	13718.00	12704.00	13016.00	9809.00	12757.00
C5 H8 N4 O S	10965.00	10093.00	15685.00	14946.00	17697.00	12488.00	14327.00	14655.00	17897.00	15569.00	16356.00	16173.00	13184.00	16284.00	1.00	1.00	10627.00	9041.00	10513.00	9999.00	12672.00	12517.00	9455.00	1.00	13193.00	13335.00	13067.00	14948.00	16661.00	16904.00	12910.00	16493.00	17428.00	17941.00	13550.00	11637.00	15898.00	12985.00	15638.00	13374.00	16619.00	15594.00	15445.00	12696.00	12587.00	12849.00	15038.00	16845.00	13519.00	14773.00	13848.00	13515.00	15958.00	15146.00
C11 H18 O4	6947.00	6924.00	3481.00	3250.00	1.00	1.00	1.00	1.00	6326.00	6439.00	5650.00	6070.00	4515.00	3667.00	9408.00	7681.00	8697.00	7640.00	5733.00	5086.00	10505.00	8928.00	8289.00	9438.00	17607.00	17179.00	11147.00	10071.00	12077.00	14097.00	10500.00	10506.00	1.00	1.00	4193.00	3374.00	8822.00	8946.00	18057.00	17437.00	17770.00	16839.00	18446.00	18150.00	5656.00	4620.00	3763.00	4694.00	3587.00	3409.00	6285.00	6416.00	13095.00	10889.00
C6 H7 N O6	18661.00	29624.00	13640.00	11693.00	16704.00	15643.00	15404.00	17232.00	13100.00	14414.00	19872.00	19730.00	15203.00	16534.00	20490.00	1.00	16452.00	18476.00	11369.00	12381.00	16534.00	15171.00	19720.00	19429.00	15967.00	19149.00	13598.00	10734.00	14636.00	13922.00	19872.00	13425.00	13518.00	13282.00	16375.00	16389.00	17693.00	16714.00	13882.00	12440.00	11091.00	1.00	12385.00	22502.00	15858.00	15121.00	13033.00	14757.00	14247.00	14817.00	13680.00	18288.00	17661.00	12573.00
D-Serine Esi-0.8689997	127591.00	130851.00	165485.00	12452.00	176334.00	188004.00	163581.00	159254.00	192043.00	190017.00	179728.00	187777.00	150973.00	153747.00	110745.00	120542.00	163643.00	170763.00	153739.00	150504.00	155701.00	12311.00	142655.00	145669.00	165448.00	169240.00	191331.00	184531.00	14171.00	12661.00	212038.00	199880.00	210745.00	12888.00	173101.00	176237.00	161326.00	168087.00	199238.00	208940.00	175594.00	168601.00	171091.00	177088.00	155422.00	153993.00	173772.00	180671.00	170037.00	178105.00	145858.00	156269.00	195951.00	194625.00
C15 H14 O7 S	4776.00	4603.00	9458.00	9542.00	7619.00	6778.00	14813.00	13977.00	6668.00	6672.00	6982.00	7040.00	3176.00	1.00	8949.00	8332.00	3410.00	3353.00	15164.00	15403.00	13900.00	12584.00	12837.00	12664.00	5466.00	4004.00	7839.00	6375.00	8013.00	7114.00	8747.00	8959.00	11442.00	10835.00	7486.00	8543.00	12166.00	11138.00	9028.00	8819.00	5980.00	5032.00	5761.00	6838.00	5420.00	7310.00	16141.00	16683.00	8348.00	9836.00	10276.00	11198.00	6395.00	6869.00
C21 H44 N5 O3	15257.00	15181.00	16273.00	14467.00	13001.00	14144.00	14319.00	11810.00	14243.00	14566.00	14371.00	16041.00	13466.00	14186.00	14562.00	12996.00	13910.00	12797.00	13499.00	13898.00	13546.00	12379.00	12660.00	12856.00	12714.00	14216.00	12461.00	13887.00	12272.00	13269.00	12451.00	13679.00	11888.00	12712.00	12831.00	13063.00	11559.00	13977.00	12064.00	13491.00	15319.00	14381.00	13117.00	13714.00	13713.00	12412.00	11365.00	12821.00	13291.00	13178.00	12394.00	12425.00	13115.00	13073.00
DL-pipecolic acid	13026.00	11383.00	9901.00	1.00	13190.00	12195.00	13833.00	11617.00	13749.00	13569.00	11944.00	12931.00	11914.00	12818.00	1.00	1.00	17863.00	16602.00	9419.00	1.00	17483.00	16493.00	13500.00	13768.00	16045.00	14358.00	11568.00	1.00	17747.00	19072.00	1.00	1.00	10923.00	11333.00	11144.00	9341.00	13759.00	14871.00	14405.00	11940.00	13265.00	12297.00	11065.00	12297.00	10138.00	12702.00	1.00	13240.00	14817.00	14365.00	15474.00	14048.00	14175.00	14863.00
C4 H2 N O5 S Esi-1.0559999	1.00	58258.00	107222.00	91115.00	58578.00	104714.00	1.00	100065.00	94080.00	79770.00	1.00	64462.00	1.00	95075.00	1.00	1.00	1.00	1.00	96087.00	1.00	1.00	66776.00	1.00	37349.00	1.00	48118.00	84630.00	90358.00	103566.00	79012.00	56989.00	1.00	54292.00	93320.00	1.00	93294.00	52862.00	54833.00	125535.00	94621.00	39352.00	92139.00	110093.00	63607.00	72058.00	65892.00	77395.00	78186.00	21463.00	1.00	1.00	74206.00	92795.00	1.00
C19 H15 N	17390.00	27178.00	22358.00	24059.00	28137.00	21451.00	20937.00	25261.00	24196.00	20728.00	1.00	31571.00	15854.00	26362.00	17570.00	18945.00	1.00	20234.00	20790.00	26254.00	22461.00	22031.00	1.00	23826.00	23236.00	1.00	19267.00	24810.00	1.00	1.00	19272.00	20404.00	22613.00	24663.00	20815.00	20287.00	17859.00	27822.00	23430.00	23180.00	26319.00	28565.00	21816.00	21845.00	30878.00	1.00	20924.00	26038.00	1.00	26606.00	20811.00	1.00	26264.00	19879.00
C30 H47 N10 O3 Esi-12.579996	1.00	1.00	92182.00	42642.00	118402.00	78841.00	84785.00	374038.00	28038.00	48262.00	1.00	1.00	91707.00	28328.00	1.00	1.00	18090.00	17001.00	112830.00	50317.00	113947.00	15788.00	1.00	1.00	16851.00	1.00	137379.00	55541.00	275690.00	294852.00	47617.00	168437.00	103550.00	23408.00	24150.00	95460.00	1.00	1.00	76337.00	35219.00	38707.00	11891.00	54557.00	10270.00	1.00	1.00	1.00	1.00	23348.00	12221.00	46577.00	17713.00	174988.00	33657.00
15-hydroxy stearic acid Esi-12.019	31551.00	32260.00	34283.00	33338.00	34781.00	35731.00	35576.00	63649.00	28737.00	33488.00	32693.00	32269.00	32776.00	1.00	30171.00	1.00	33472.00	33638.00	37987.00	36939.00	39748.00	35333.00	32749.00	32348.00	33078.00	33345.00	31147.00	32922.00	63963.00	71064.00	36094.00	42542.00	40933.00	34059.00	30282.00	36452.00	32706.00	34281.00	38337.00	35426.00	38694.00	36236.00	35549.00	33114.00	34183.00	33861.00	33279.00	32786.00	1.00	30113.00	1.00	29675.00	52938.00	34602.00
MID42355:1?,25-dihydroxy-24a,24b,24c-trihomo-22-thia-20-epivitamin D3 / 1?,25-dihydroxy-24a,24b,24c-	1.00	1.00	12013.00	1.00	30241.00	12838.00	25448.00	185681.00	1.00	16832.00	1.00	1.00	26802.00	1.00	1.00	1.00	1.00	1.00	37129.00	10895.00	55558.00	1.00	1.00	1.00	1.00	1.00	66325.00	11003.00	116875.00	141858.00	1.00	49550.00	30692.00	1.00	1.00	18701.00	1.00	1.00	24580.00	1.00	1.00	1.00	18252.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	71298.00	1.00
C6 H10 N3 O2 S	852200.00	849143.00	1052581.00	1024199.00	1275217.00	1294964.00	1141855.00	1152749.00	923470.00	912378.00	1203281.00	1182786.00	765749.00	735427.00	825953.00	827033.00	1047629.00	1041385.00	790707.00	784054.00	881218.00	826046.00	975498.00	984152.00	998401.00	1006937.00	981605.00	967013.00	573975.00	579617.00	655598.00	669026.00	928257.00	945217.00	929754.00	901271.00	552338.00	540256.00	672592.00	616154.00	669273.00	692212.00	619396.00	623136.00	1010415.00	955785.00	1238365.00	1250428.00	1232728.00	1212369.00	43378.00	952693.00	855825.00	838218.00
C24 H52 N8 O16	1.00	8965.00	12223.00	12675.00	13759.00	12930.00	14000.00	13675.00	8691.00	1.00	11351.00	10384.00	10474.00	10571.00	11724.00	11286.00	11293.00	11312.00	12033.00	13063.00	14471.00	13966.00	12778.00	11342.00	13923.00	15024.00	14997.00	15144.00	13046.00	11515.00	12344.00	12602.00	11485.00	11801.00	12152.00	11749.00	12309.00	11032.00	14871.00	13877.00	17120.00	16547.00	15162.00	14741.00	12905.00	14377.00	14273.00	14084.00	13710.00	14227.00	14808.00	15067.00	12034.00	13129.00
2,3-dinor Thromboxane B1 Esi-9.494997	11669.00	12027.00	4921.00	4661.00	4341.00	3433.00	3300.00	5263.00	7404.00	7476.00	9274.00	8985.00	7030.00	7053.00	14421.00	15624.00	13343.00	15422.00	12385.00	10002.00	16960.00	14331.00	11390.00	11218.00	29365.00	29353.00	15412.00	12252.00	15607.00	17300.00	23936.00	24027.00	4364.00	4097.00	7508.00	6892.00	11344.00	12587.00	26948.00	26614.00	23361.00	21769.00	30901.00	28429.00	14748.00	12898.00	5105.00	5556.00	6404.00	7877.00	16867.00	16250.00	25028.00	21538.00
Aspirin Esi-3.7720022	47198.00	45358.00	74268.00	70706.00	70419.00	69462.00	55052.00	58323.00	38969.00	41488.00	42442.00	46879.00	93867.00	102760.00	87702.00	85338.00	106291.00	112085.00	66011.00	73773.00	72939.00	70453.00	51879.00	49596.00	94529.00	96850.00	58274.00	58064.00	38043.00	36040.00	101658.00	102268.00	50496.00	51317.00	82173.00	78149.00	49441.00	49550.00	65542.00	75862.00	56803.00	53076.00	62981.00	61936.00	109318.00	97108.00	52038.00	52651.00	56262.00	58364.00	81400.00	86140.00	52909.00	57327.00
C26 H57 N24 O8	14901.00	16312.00	21351.00	20614.00	20851.00	21676.00	21441.00	20911.00	20019.00	15823.00	18358.00	23211.00	21520.00	20469.00	20440.00	21779.00	18840.00	20338.00	22065.00	25066.00	20883.00	18098.00	19918.00	18456.00	21327.00	21266.00	18685.00	20215.00	19752.00	22064.00	20201.00	20982.00	21898.00	23181.00	20417.00	22409.00	19508.00	17097.00	20414.00	19593.00	21432.00	21825.00	18591.00	23457.00	21262.00	19730.00	22084.00	20977.00	19994.00	22057.00	19181.00	25333.00	20671.00	21553.00
Deamino-?-keto-demethylphosphinothricin	42453.00	42195.00	1.00	1.00	31903.00	33401.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	38514.00	40402.00	1.00	1.00	1.00	1.00	16493.00	1.00	44172.00	43090.00	1.00	1.00	1.00	1.00	38567.00	37946.00	30126.00	1.00	1.00	1.00	30480.00	31489.00	1.00	28726.00	24525.00	1.00	45518.00	53376.00	34725.00	34774.00	29033.00	29602.00	1.00	1.00	26727.00	1.00
C35 H75 N12	14142.00	11758.00	12846.00	14709.00	14848.00	19383.00	18555.00	13889.00	1.00	12957.00	9867.00	12429.00	15253.00	15766.00	16884.00	14629.00	11479.00	11730.00	14877.00	14541.00	11445.00	17765.00	11037.00	9989.00	17790.00	17350.00	13337.00	1.00	13613.00	18510.00	1.00	15988.00	15422.00	1.00	16812.00	11201.00	12569.00	19295.00	19545.00	19837.00	11120.00	14316.00	19637.00	16661.00	21403.00	15217.00	17432.00	17926.00	13515.00	12985.00	16132.00	16030.00	16440.00	12032.00
Dimethyl suberate	11148.00	13154.00	16843.00	17969.00	16623.00	15114.00	15138.00	16048.00	13217.00	14603.00	1.00	1.00	1.00	17460.00	14737.00	16650.00	17792.00	20784.00	15871.00	14371.00	18686.00	16507.00	13959.00	16868.00	21659.00	17359.00	19034.00	14162.00	15386.00	17546.00	21373.00	20432.00	16439.00	15255.00	14960.00	17707.00	19476.00	16532.00	20190.00	18787.00	19829.00	20216.00	16797.00	19012.00	17570.00	14159.00	16602.00	14277.00	16191.00	14015.00	16728.00	18038.00	16749.00	13929.00
Terfenadine	1.00	1.00	11165.00	1.00	16760.00	12383.00	13818.00	17189.00	1.00	11702.00	1.00	1.00	12272.00	1.00	1.00	1.00	1.00	1.00	14907.00	1.00	12228.00	1.00	1.00	1.00	1.00	1.00	17192.00	1.00	16726.00	16073.00	1.00	15728.00	18478.00	1.00	1.00	14497.00	1.00	1.00	12580.00	1.00	9986.00	1.00	11335.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10955.00	1.00	16831.00	1.00
C3 H4 N2 O5 S Esi-0.77799994	58651.00	5497691.00	566080.00	590162.00	92928.00	720092.00	1841014.00	95794.00	68691.00	2116807.00	4861025.00	4924182.00	1566452.00	1555264.00	4890860.00	4859627.00	4313265.00	4327887.00	1127165.00	66264.00	1227296.00	1170591.00	4994999.00	5411894.00	4803483.00	92655.00	1015668.00	1083974.00	1467809.00	1503063.00	2155617.00	2267451.00	906592.00	1005652.00	2096342.00	2124171.00	5031523.00	4738933.00	1504466.00	1402456.00	1575501.00	1575637.00	1423536.00	1482777.00	4888973.00	5114735.00	1754807.00	1759511.00	2035812.00	2005868.00	4985150.00	4891825.00	1467570.00	1543055.00
C20 H26 N19	13450.00	13959.00	14727.00	13736.00	13033.00	13580.00	13673.00	14478.00	15156.00	13235.00	13192.00	13337.00	12890.00	14472.00	13535.00	14336.00	12894.00	13261.00	14212.00	14019.00	11471.00	12458.00	13057.00	13086.00	12939.00	14176.00	13552.00	14180.00	13558.00	13011.00	15012.00	14113.00	13228.00	14227.00	13810.00	13609.00	14062.00	12819.00	12247.00	14481.00	12614.00	13832.00	14505.00	13205.00	14641.00	12360.00	12997.00	13590.00	13981.00	12340.00	13879.00	14091.00	13327.00	13148.00
C42 H53 N14 O	8598.00	10832.00	17062.00	14740.00	15432.00	15850.00	15775.00	15715.00	13408.00	13584.00	13074.00	12416.00	14842.00	15972.00	12682.00	11212.00	10793.00	8408.00	15509.00	15763.00	15492.00	15338.00	11921.00	13297.00	14928.00	11924.00	15671.00	15794.00	15859.00	13505.00	14865.00	15765.00	15924.00	16221.00	14776.00	16126.00	12564.00	13773.00	16634.00	16322.00	17218.00	15553.00	15856.00	15171.00	12308.00	12640.00	15648.00	15669.00	16025.00	14504.00	14085.00	13711.00	15511.00	16336.00
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid Esi-8.519997	11440.00	11365.00	68191.00	67673.00	77473.00	77075.00	58933.00	60702.00	81128.00	83242.00	117021.00	118142.00	89421.00	98761.00	17423.00	17301.00	133739.00	9936.00	10981.00	12003.00	130623.00	9414.00	12585.00	12600.00	13999.00	13699.00	143572.00	10174.00	12492.00	11677.00	16952.00	17682.00	62593.00	57586.00	111516.00	114729.00	14284.00	14306.00	23835.00	23028.00	13343.00	13405.00	18080.00	19139.00	15540.00	16008.00	70953.00	72892.00	11544.00	10052.00	14072.00	13180.00	16680.00	17542.00
C39 H83 N8 O3 S	20489.00	19431.00	15704.00	15012.00	18619.00	17302.00	17625.00	15379.00	19893.00	18567.00	19570.00	20905.00	18864.00	21321.00	23556.00	23349.00	22648.00	21345.00	18256.00	20563.00	20389.00	18723.00	26292.00	24833.00	23478.00	26386.00	18033.00	19684.00	18896.00	19470.00	22213.00	17367.00	22046.00	20223.00	21292.00	22719.00	21949.00	23372.00	20208.00	19450.00	20493.00	21588.00	19989.00	21949.00	23838.00	27602.00	20022.00	22165.00	21471.00	20963.00	26934.00	24262.00	19293.00	18858.00
PS(17:1(9Z)/0:0) Esi-9.240002	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13053.00	12556.00	1.00	1.00	11936.00	11362.00	11581.00	10637.00	1.00	1.00	12077.00	10947.00	1.00	11733.00	15882.00	14329.00	1.00	1.00	13376.00	13767.00	1.00	1.00	11618.00	1.00	1.00	1.00	1.00	1.00	10387.00	10993.00	11342.00	10649.00	1.00	1.00	11543.00	11015.00	1.00	1.00	1.00	1.00	12349.00	11104.00	11967.00	11293.00
C3 H5 N4 O S2	19998.00	1.00	1.00	1.00	1.00	10013.00	1.00	15649.00	16281.00	1.00	20959.00	1.00	1.00	1.00	19412.00	19003.00	1.00	1.00	18336.00	1.00	1.00	14157.00	1.00	19425.00	17572.00	17477.00	13859.00	17693.00	22979.00	14343.00	1.00	18021.00	13331.00	13431.00	1.00	1.00	20178.00	20714.00	18907.00	17056.00	1.00	25486.00	16644.00	1.00	19056.00	20555.00	1.00	1.00	1.00	1.00	19133.00	20371.00	15254.00	15341.00
C8 H16 O S3	12410.00	12454.00	12973.00	12072.00	14858.00	14920.00	15807.00	15418.00	12447.00	13680.00	13680.00	15150.00	10010.00	1.00	10486.00	11938.00	9894.00	1.00	1.00	11028.00	13523.00	12295.00	10559.00	9849.00	11732.00	13407.00	13837.00	13246.00	11660.00	14202.00	10153.00	12544.00	10954.00	12796.00	11226.00	12134.00	11500.00	10512.00	12979.00	10835.00	15945.00	13114.00	13621.00	13573.00	11481.00	14304.00	10552.00	11185.00	10836.00	1.00	1.00	10791.00	12175.00	14454.00
2,2',4,4',5,6'-Hexabromodiphenyl ether	1.00	1.00	13918.00	14258.00	13080.00	12356.00	13941.00	12567.00	10740.00	11047.00	10215.00	8871.00	12148.00	11671.00	8488.00	8943.00	1.00	1.00	13456.00	13719.00	12585.00	12813.00	1.00	8361.00	1.00	9873.00	13378.00	12337.00	12270.00	12908.00	12580.00	15057.00	11541.00	12679.00	13691.00	11344.00	8677.00	9699.00	14235.00	13074.00	13380.00	12942.00	14893.00	14418.00	9369.00	9597.00	15139.00	13273.00	12011.00	12818.00	11290.00	10386.00	13258.00	13326.00
C54 H85	28217.00	28837.00	12486.00	11670.00	13673.00	13628.00	16363.00	15378.00	16586.00	12481.00	19078.00	24595.00	14565.00	19016.00	24076.00	25986.00	28132.00	26555.00	16641.00	14028.00	16141.00	15344.00	25908.00	28745.00	27468.00	25029.00	16774.00	17129.00	13828.00	15899.00	14761.00	18085.00	16499.00	16533.00	18092.00	15751.00	29152.00	28077.00	15374.00	13224.00	18531.00	19479.00	14314.00	15288.00	28672.00	24887.00	15118.00	17550.00	16239.00	18483.00	25400.00	29399.00	13301.00	11812.00
C48 H87 N5 O2 S	15526.00	19874.00	1.00	1.00	1.00	1.00	9647.00	9723.00	11534.00	10835.00	14864.00	18310.00	10313.00	10976.00	18897.00	17662.00	16654.00	16308.00	9641.00	10891.00	11838.00	12504.00	18210.00	14942.00	16888.00	14981.00	9785.00	9366.00	9498.00	1.00	10917.00	11606.00	12054.00	10864.00	14782.00	13886.00	15629.00	15888.00	10660.00	9973.00	11027.00	11663.00	10583.00	10253.00	19366.00	15400.00	10440.00	13101.00	11293.00	11947.00	16333.00	17107.00	9374.00	10186.00
N-(2,3-Dihydroxybenzoyl)-L-serine	9364.00	10424.00	11480.00	11841.00	11767.00	11958.00	10776.00	10190.00	1.00	9489.00	12710.00	12252.00	14133.00	15107.00	12738.00	14837.00	14210.00	12006.00	15042.00	15305.00	11577.00	10622.00	12949.00	13437.00	10570.00	10687.00	12752.00	12325.00	11805.00	11560.00	14817.00	14923.00	14215.00	13469.00	12831.00	12942.00	12233.00	13411.00	14398.00	13208.00	13067.00	13283.00	11480.00	11933.00	11256.00	12099.00	11803.00	11717.00	14629.00	16742.00	14695.00	13608.00	15054.00	15474.00
Glutaric acid	52793.00	29664.00	82168.00	72832.00	90828.00	86680.00	81729.00	87737.00	69558.00	69641.00	53756.00	55182.00	68349.00	64598.00	42161.00	34182.00	60363.00	48109.00	76542.00	76827.00	85036.00	85355.00	9476.00	41476.00	9858.00	58178.00	83385.00	80278.00	68788.00	67470.00	58534.00	63265.00	64329.00	70053.00	64755.00	69045.00	46595.00	58772.00	65986.00	62477.00	70597.00	60943.00	70008.00	60507.00	43538.00	41587.00	77927.00	77556.00	68956.00	68171.00	51720.00	65427.00	73924.00	73387.00
C29 H28 N3 O16 Esi-11.454003 :1	55675.00	55514.00	1.00	1.00	1.00	1.00	1.00	1.00	30482.00	31808.00	40073.00	41065.00	1.00	1.00	59211.00	63022.00	51613.00	52584.00	31046.00	31296.00	46424.00	40997.00	57760.00	60484.00	70559.00	73209.00	48039.00	43315.00	58360.00	53485.00	48522.00	47227.00	1.00	1.00	1.00	18512.00	54644.00	55270.00	78350.00	74939.00	72156.00	68588.00	80849.00	77538.00	32785.00	32058.00	18293.00	1.00	23765.00	23200.00	41421.00	40785.00	59705.00	55189.00
C7 H14 N3 O7	11563.00	12457.00	10636.00	11957.00	15673.00	15398.00	14287.00	13212.00	10813.00	12592.00	12334.00	12999.00	15381.00	15331.00	13744.00	13134.00	1.00	10246.00	16152.00	15348.00	12541.00	10549.00	13648.00	14956.00	17559.00	14888.00	17381.00	16710.00	16318.00	14535.00	19347.00	20816.00	15480.00	17046.00	14644.00	14230.00	17091.00	15563.00	11546.00	11789.00	14940.00	15778.00	15581.00	15544.00	14842.00	14354.00	15427.00	12920.00	20673.00	18132.00	18466.00	17362.00	19071.00	20475.00
3-(4'-Methylthio)butylmalic acid	15992.00	16167.00	14049.00	16567.00	12166.00	12326.00	13619.00	16496.00	10191.00	11110.00	11349.00	10853.00	16410.00	17012.00	14526.00	15273.00	14147.00	14554.00	14236.00	14254.00	11476.00	11121.00	14836.00	15324.00	12040.00	12376.00	1.00	1.00	10973.00	12478.00	15781.00	16599.00	12383.00	11722.00	13745.00	14940.00	11767.00	11308.00	12382.00	10830.00	1.00	1.00	1.00	1.00	13823.00	13104.00	14227.00	12685.00	11659.00	12318.00	14939.00	14592.00	9717.00	1.00
C5 H5 N O S	25798.00	23584.00	21881.00	21913.00	15743.00	17729.00	15722.00	14755.00	23167.00	19607.00	16208.00	14926.00	15233.00	15496.00	20309.00	19963.00	17056.00	18378.00	23475.00	24328.00	26715.00	28406.00	30944.00	32603.00	20109.00	19672.00	22711.00	22359.00	25918.00	26875.00	25736.00	25870.00	22727.00	23586.00	18191.00	20651.00	27332.00	28260.00	27438.00	24429.00	19161.00	17177.00	20662.00	20802.00	21958.00	21585.00	34226.00	34555.00	23416.00	22319.00	23267.00	23131.00	25708.00	25995.00
1,2-Dichloropropane	1.00	1.00	12093.00	12454.00	13252.00	15636.00	12231.00	12351.00	9519.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12394.00	10068.00	10424.00	13060.00	1.00	1.00	1.00	1.00	12234.00	12286.00	10961.00	11844.00	12281.00	11072.00	11101.00	11271.00	1.00	1.00	1.00	1.00	9924.00	9171.00	10510.00	1.00	11324.00	10194.00	1.00	1.00	10971.00	12114.00	10157.00	1.00	1.00	1.00	10124.00	11423.00
C38 H83 N9 O4	18375.00	15850.00	11654.00	11931.00	12044.00	12628.00	13172.00	13406.00	13541.00	12311.00	16006.00	17150.00	12294.00	12715.00	16306.00	17477.00	17007.00	18156.00	13126.00	14144.00	13258.00	13583.00	17889.00	18259.00	17720.00	17216.00	12828.00	12910.00	12162.00	12491.00	12814.00	13800.00	14045.00	14423.00	13145.00	15661.00	15660.00	16146.00	13398.00	12587.00	12655.00	13990.00	12797.00	12432.00	15266.00	17710.00	14304.00	13942.00	14199.00	14657.00	15768.00	17406.00	11832.00	12777.00
C5 H2 N2 O2 S2	1.00	1.00	14058.00	14246.00	13946.00	13551.00	11444.00	11481.00	13647.00	15445.00	1.00	1.00	18345.00	18017.00	1.00	1.00	1.00	1.00	18362.00	13490.00	15155.00	10898.00	1.00	1.00	1.00	1.00	15413.00	15878.00	13230.00	12295.00	12445.00	14045.00	13278.00	11079.00	13748.00	12330.00	1.00	1.00	15789.00	14872.00	14177.00	13387.00	13373.00	11561.00	1.00	1.00	14347.00	12397.00	13474.00	12044.00	1.00	1.00	12581.00	13859.00
Glu Ile Ala Esi-8.7109995	35707.00	46909.00	48685.00	35688.00	49947.00	52303.00	50894.00	36854.00	55936.00	36450.00	53626.00	51674.00	49537.00	45748.00	52925.00	53105.00	33620.00	49798.00	36010.00	50914.00	35374.00	46248.00	48795.00	45484.00	51243.00	19157.00	34872.00	35338.00	42873.00	36466.00	55261.00	37128.00	50375.00	23506.00	48312.00	35766.00	52340.00	47363.00	55498.00	16207.00	16592.00	50324.00	31968.00	49213.00	50294.00	51742.00	17410.00	18977.00	36121.00	49432.00	52046.00	53200.00	50476.00	52086.00
C11 H18 O4 Esi-10.608001	5076.00	6344.00	1.00	3460.00	1.00	1.00	1.00	1.00	4910.00	4743.00	4337.00	4802.00	3275.00	1.00	7787.00	7638.00	8718.00	7224.00	5329.00	4400.00	8382.00	7900.00	7856.00	7714.00	12737.00	14384.00	8400.00	8321.00	9803.00	9789.00	9208.00	11311.00	1.00	1.00	3351.00	3292.00	6500.00	6563.00	14291.00	15642.00	13978.00	13936.00	16507.00	16091.00	5255.00	4716.00	1.00	3200.00	1.00	1.00	6188.00	6668.00	12763.00	9482.00
(+)-2,7-Dideoxypancratistatin	1.00	1.00	11622.00	12193.00	10495.00	10731.00	10763.00	11240.00	10325.00	12245.00	13550.00	12802.00	1.00	1.00	1.00	8822.00	12876.00	10353.00	1.00	1.00	10914.00	9609.00	10110.00	1.00	1.00	9970.00	13817.00	14239.00	9409.00	10780.00	9642.00	10154.00	1.00	9652.00	11099.00	12960.00	1.00	1.00	10246.00	9095.00	11928.00	10583.00	9319.00	9587.00	1.00	9540.00	14871.00	14252.00	10052.00	9543.00	11088.00	10485.00	10128.00	9718.00
Antimycin A (A1 Shown)	13064.00	12408.00	13032.00	13040.00	11850.00	12392.00	12978.00	13612.00	12912.00	13288.00	13275.00	13079.00	12293.00	14139.00	12790.00	12800.00	12538.00	11660.00	12766.00	13461.00	11566.00	13749.00	12800.00	14160.00	12354.00	13964.00	14882.00	13140.00	13715.00	14156.00	14146.00	14555.00	13242.00	13379.00	13435.00	13836.00	15436.00	14995.00	13714.00	15177.00	13179.00	14622.00	13946.00	14691.00	15003.00	13485.00	14520.00	14654.00	13895.00	13391.00	13345.00	14036.00	11879.00	12817.00
C38 H79 S	8858.00	8766.00	18114.00	17494.00	17135.00	17000.00	18294.00	17189.00	14100.00	12586.00	12672.00	11365.00	13937.00	15745.00	12012.00	11938.00	11152.00	11382.00	14473.00	17973.00	15981.00	15441.00	10748.00	10793.00	10335.00	12366.00	15810.00	17251.00	16817.00	15895.00	16340.00	16936.00	15501.00	16306.00	16507.00	15284.00	13256.00	12519.00	15351.00	17269.00	15818.00	16082.00	16401.00	16314.00	11358.00	10986.00	15088.00	15347.00	15074.00	14040.00	12308.00	12360.00	17228.00	17202.00
C32 H65 N7 O12	1.00	1.00	14505.00	13497.00	11895.00	12087.00	13968.00	13863.00	9431.00	10458.00	1.00	8869.00	12339.00	12690.00	9096.00	8947.00	9139.00	8532.00	11975.00	13174.00	13046.00	11628.00	1.00	8734.00	8436.00	9120.00	13986.00	13095.00	13304.00	12762.00	13026.00	12931.00	12948.00	12537.00	12139.00	12921.00	9518.00	9551.00	12267.00	13176.00	13040.00	12287.00	13841.00	12060.00	9599.00	1.00	10877.00	12428.00	11924.00	12089.00	9221.00	9694.00	12192.00	13153.00
DL-3-amino-isobutanoic acid	66810.00	66566.00	76674.00	75638.00	93122.00	90205.00	79924.00	79848.00	91511.00	87073.00	86475.00	81928.00	87127.00	83588.00	13696.00	58769.00	60241.00	61563.00	65641.00	65182.00	74341.00	75830.00	53207.00	53905.00	85646.00	86314.00	83023.00	86464.00	88263.00	88367.00	83505.00	82213.00	100316.00	100506.00	84783.00	78406.00	83721.00	80850.00	81289.00	78826.00	91647.00	97760.00	84056.00	88369.00	86702.00	90042.00	88931.00	91804.00	84434.00	85893.00	79623.00	79607.00	82213.00	88628.00
C22 H31 N S Esi-13.44399	52496.00	44776.00	62271.00	59403.00	56903.00	57575.00	57193.00	57356.00	62948.00	66467.00	60576.00	55047.00	57851.00	56524.00	52076.00	48862.00	58039.00	55584.00	81149.00	71065.00	89293.00	66249.00	59836.00	52504.00	64151.00	62642.00	77967.00	64374.00	82747.00	75838.00	64192.00	82881.00	64496.00	62489.00	59079.00	61677.00	48956.00	61963.00	87747.00	81126.00	74422.00	71189.00	83606.00	64142.00	47074.00	46776.00	52938.00	51551.00	62034.00	58723.00	65451.00	61789.00	93782.00	65767.00
C47 H85 N	15650.00	16530.00	12807.00	12490.00	14247.00	13858.00	13982.00	11638.00	13650.00	1.00	17797.00	16711.00	15037.00	13736.00	18277.00	17778.00	15533.00	17508.00	12461.00	14334.00	14394.00	13175.00	18170.00	18125.00	17913.00	17297.00	12693.00	14338.00	13737.00	13287.00	1.00	14706.00	14885.00	15065.00	16791.00	1.00	17404.00	16158.00	14293.00	13395.00	15628.00	14385.00	13635.00	14050.00	17993.00	15556.00	13701.00	14106.00	15325.00	14058.00	16775.00	15337.00	14157.00	12408.00
C21 H47 N6 O7 S	14782.00	14859.00	73627.00	59788.00	82033.00	66611.00	83509.00	188469.00	54062.00	62575.00	21198.00	26409.00	80321.00	61866.00	25811.00	25048.00	33760.00	32670.00	91027.00	66402.00	126805.00	60240.00	20326.00	21232.00	30526.00	25596.00	103442.00	61161.00	259873.00	276008.00	52793.00	83779.00	95119.00	66519.00	43020.00	59873.00	21296.00	26405.00	64674.00	47800.00	61884.00	46335.00	67176.00	39257.00	22614.00	23505.00	41086.00	40691.00	55922.00	56265.00	37975.00	26316.00	136860.00	60844.00
Alloxydim Esi-10.668006	71243.00	70799.00	184708.00	171009.00	130912.00	120600.00	15019.00	15984.00	153518.00	152082.00	210194.00	200647.00	149188.00	149883.00	220260.00	217165.00	164748.00	162198.00	110276.00	105083.00	149267.00	125276.00	236353.00	224412.00	139373.00	134126.00	123807.00	107227.00	166818.00	155753.00	116715.00	117921.00	134985.00	128563.00	103699.00	97878.00	107822.00	110647.00	96200.00	94588.00	125103.00	121920.00	143249.00	121535.00	134433.00	126942.00	93371.00	92866.00	1.00	1.00	73172.00	68433.00	68101.00	58518.00
C27 H31 N25 O6 Esi-9.183006	11694.00	10904.00	1.00	1.00	9939.00	1.00	11466.00	12144.00	10538.00	1.00	14553.00	14826.00	1.00	10591.00	17030.00	16230.00	10681.00	10543.00	12779.00	12292.00	12474.00	10889.00	13001.00	14410.00	17419.00	17989.00	11621.00	12380.00	10191.00	9960.00	11131.00	12540.00	11361.00	11716.00	11876.00	11154.00	12006.00	12126.00	10167.00	13588.00	13901.00	12661.00	12115.00	13216.00	14307.00	14277.00	12842.00	11814.00	10598.00	11301.00	15598.00	14831.00	11974.00	11048.00
Obliquine Esi-11.458006 :2	52303.00	50559.00	1.00	1.00	1.00	1.00	1.00	1.00	28708.00	30553.00	39452.00	35980.00	1.00	1.00	59782.00	59340.00	49672.00	52307.00	32047.00	28215.00	48361.00	36404.00	51285.00	52171.00	69140.00	67086.00	53082.00	41089.00	68315.00	68022.00	45829.00	49725.00	1.00	1.00	1.00	1.00	48966.00	47210.00	85240.00	84342.00	77280.00	67515.00	90995.00	77652.00	32031.00	27965.00	1.00	1.00	22764.00	21006.00	39018.00	36226.00	70430.00	51536.00
C29 H46 N14 O2 S	13055.00	12591.00	12927.00	12971.00	13967.00	13558.00	14411.00	14273.00	14381.00	13550.00	13696.00	12391.00	1.00	10789.00	11106.00	11705.00	1.00	1.00	12575.00	11452.00	12187.00	11251.00	11793.00	10929.00	12705.00	13404.00	15663.00	14448.00	12167.00	13601.00	15287.00	14685.00	13486.00	13609.00	13061.00	12121.00	13961.00	13107.00	12722.00	13241.00	14615.00	14688.00	1.00	1.00	16879.00	14882.00	14893.00	15926.00	15193.00	16107.00	1.00	1.00	13782.00	12930.00
Picrasin D	6419.00	7141.00	4996.00	6050.00	9570.00	9453.00	8176.00	7089.00	14896.00	13608.00	7491.00	6428.00	1.00	1.00	3658.00	3765.00	12481.00	12570.00	8112.00	8536.00	13233.00	14308.00	7156.00	8886.00	13803.00	13694.00	7805.00	7014.00	11150.00	10665.00	8669.00	8373.00	1.00	1.00	13403.00	12975.00	7495.00	7107.00	12090.00	10883.00	7444.00	5728.00	3785.00	3094.00	6377.00	5705.00	11380.00	9688.00	10260.00	10283.00	8304.00	8417.00	9583.00	8762.00
C6 H7 O9	1.00	1.00	1.00	10789.00	12316.00	13501.00	14348.00	14005.00	10380.00	1.00	11301.00	11809.00	1.00	1.00	10420.00	10197.00	1.00	1.00	15769.00	17324.00	11965.00	11840.00	1.00	1.00	1.00	1.00	14749.00	16881.00	11530.00	10716.00	11660.00	1.00	12273.00	12488.00	10356.00	10279.00	1.00	1.00	10044.00	1.00	11424.00	12467.00	12365.00	10917.00	1.00	10844.00	13957.00	11071.00	12120.00	14221.00	1.00	1.00	1.00	1.00
C29 H41 N9 O18	1.00	1.00	16921.00	13489.00	17516.00	16390.00	16206.00	1.00	13824.00	15977.00	1.00	1.00	14293.00	14056.00	1.00	1.00	1.00	1.00	16922.00	14066.00	17348.00	1.00	1.00	1.00	1.00	1.00	18086.00	12310.00	1.00	1.00	11510.00	16688.00	15784.00	13467.00	10560.00	13936.00	1.00	1.00	14626.00	11081.00	13121.00	1.00	13668.00	1.00	1.00	1.00	1.00	1.00	12052.00	1.00	11486.00	1.00	16890.00	12623.00
C21 H51 N22 O3 S	1.00	1.00	27315.00	23194.00	1.00	1.00	46141.00	78136.00	33232.00	38842.00	1.00	1.00	46050.00	21518.00	1.00	1.00	1.00	1.00	42450.00	31561.00	96767.00	1.00	1.00	1.00	1.00	1.00	58650.00	41785.00	84261.00	38142.00	22744.00	72062.00	19407.00	1.00	17362.00	39587.00	1.00	1.00	19979.00	12818.00	9600.00	1.00	10672.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	38923.00	25685.00
C35 H50 N3 O9	19890.00	16222.00	14085.00	16203.00	1.00	13309.00	1.00	1.00	13409.00	14408.00	19126.00	17078.00	1.00	17760.00	16714.00	17785.00	16033.00	16491.00	12083.00	12004.00	1.00	16796.00	19336.00	15596.00	12373.00	16645.00	1.00	13534.00	1.00	1.00	15155.00	1.00	1.00	15076.00	15800.00	11800.00	19070.00	20432.00	14241.00	14178.00	14312.00	16477.00	1.00	17875.00	20880.00	19832.00	18662.00	20116.00	16741.00	18540.00	14095.00	17197.00	1.00	13460.00
S-(Carboxymethyl)-L-cysteine	1.00	1.00	1.00	1.00	1.00	9361.00	1.00	1.00	10021.00	11448.00	9314.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10365.00	9925.00	11623.00	10615.00	1.00	1.00	12294.00	12055.00	1.00	1.00	1.00	1.00	10798.00	9780.00	11542.00	12744.00	10085.00	10964.00	10681.00	12103.00	10965.00	10782.00	9779.00	10424.00	10565.00	9703.00	16492.00	15632.00	10958.00	10607.00
2,2-Dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-benzopyran-7-ol acetate Esi-10.394001	41760.00	38147.00	42223.00	42278.00	43942.00	43636.00	45453.00	39248.00	39524.00	40931.00	42119.00	39208.00	39115.00	40397.00	38347.00	36128.00	37335.00	33083.00	42948.00	38696.00	37398.00	36594.00	38581.00	38518.00	35597.00	35048.00	36413.00	38072.00	38824.00	39734.00	35602.00	40925.00	36274.00	38338.00	39948.00	38178.00	36815.00	36086.00	35877.00	37361.00	36536.00	38614.00	38229.00	38743.00	36201.00	35842.00	39499.00	38328.00	38042.00	37605.00	36202.00	36962.00	35790.00	36733.00
C41 H85 N2 O S	13650.00	14325.00	15534.00	13235.00	15394.00	14990.00	16216.00	16368.00	14370.00	15241.00	17005.00	14947.00	14884.00	15652.00	16975.00	16596.00	15789.00	16007.00	14004.00	15085.00	16243.00	15444.00	16061.00	16321.00	17557.00	16833.00	14253.00	15552.00	14884.00	13541.00	15384.00	14715.00	15310.00	15420.00	15045.00	16031.00	16783.00	16667.00	16306.00	14848.00	16902.00	15714.00	15187.00	15684.00	15311.00	15606.00	16082.00	15970.00	15197.00	15250.00	16680.00	17960.00	14747.00	14773.00
C15 H34 N3 O17	8591.00	8598.00	10275.00	8847.00	9274.00	9315.00	10429.00	9897.00	7702.00	11401.00	8168.00	9443.00	10428.00	9177.00	7982.00	6945.00	9696.00	8326.00	14770.00	10756.00	12266.00	9314.00	8627.00	9555.00	8430.00	9370.00	13823.00	10613.00	12831.00	12070.00	9408.00	12907.00	10601.00	8093.00	8341.00	11770.00	9513.00	9526.00	14885.00	11347.00	12768.00	9306.00	13695.00	10709.00	8909.00	8782.00	8080.00	7448.00	9744.00	9190.00	10421.00	9777.00	14031.00	10764.00
Undecanedioic acid	11709.00	11973.00	12706.00	13936.00	12300.00	10886.00	12137.00	11854.00	11188.00	14012.00	14289.00	12296.00	11536.00	11491.00	13863.00	13778.00	14297.00	12935.00	13854.00	14252.00	14986.00	13423.00	1.00	13202.00	11992.00	12169.00	14231.00	13624.00	15764.00	13324.00	15666.00	12821.00	12941.00	16243.00	12394.00	14952.00	13639.00	12781.00	14289.00	13139.00	16668.00	15753.00	14297.00	14606.00	14385.00	14681.00	14154.00	14249.00	13146.00	12110.00	14762.00	15707.00	13133.00	13326.00
Ayapin	17486.00	18126.00	16536.00	18358.00	18808.00	15295.00	17225.00	16769.00	19015.00	17783.00	16534.00	16020.00	15872.00	16714.00	18101.00	18704.00	16415.00	17472.00	17563.00	17232.00	16820.00	16429.00	17990.00	18546.00	17459.00	17107.00	17967.00	17581.00	18673.00	20014.00	17434.00	18424.00	16943.00	20008.00	16365.00	19874.00	18093.00	17152.00	17106.00	17809.00	16463.00	19434.00	18189.00	19004.00	18158.00	19127.00	19748.00	19238.00	16002.00	18731.00	19700.00	20193.00	18501.00	18350.00
C44 H77 N4 O3	10695.00	9050.00	10443.00	9687.00	9684.00	10303.00	10999.00	9420.00	1.00	9274.00	12405.00	11980.00	10750.00	11588.00	12216.00	10942.00	11520.00	10325.00	10445.00	10767.00	9938.00	10323.00	12198.00	12493.00	10230.00	11315.00	11273.00	10277.00	9262.00	10092.00	9558.00	11122.00	10633.00	11133.00	11476.00	12129.00	10423.00	12235.00	10690.00	10329.00	10712.00	10695.00	10889.00	10960.00	10818.00	9263.00	10283.00	11821.00	11357.00	12557.00	12357.00	11851.00	9535.00	9895.00
C31 H59 N23	13965.00	12132.00	15680.00	15709.00	16535.00	20141.00	17118.00	18845.00	15810.00	14632.00	17571.00	16197.00	15708.00	20692.00	19730.00	18188.00	15043.00	20007.00	20357.00	14790.00	19926.00	17482.00	19678.00	14740.00	12960.00	21880.00	20775.00	19289.00	18626.00	16168.00	19834.00	15507.00	18543.00	21229.00	17759.00	18604.00	14967.00	14555.00	15739.00	19683.00	18159.00	18223.00	16442.00	19027.00	18090.00	19050.00	17688.00	16987.00	16389.00	17444.00	18852.00	23301.00	20183.00	18190.00
Cosmosiin Hexaacetate	12612.00	13450.00	14131.00	13724.00	14347.00	14956.00	15049.00	1.00	14452.00	15505.00	14516.00	12075.00	14024.00	14018.00	11131.00	10767.00	17607.00	12898.00	16470.00	15374.00	14375.00	14805.00	11959.00	13716.00	13148.00	13288.00	13131.00	13788.00	11141.00	1.00	14631.00	13128.00	14675.00	13959.00	13731.00	16338.00	13299.00	13623.00	14430.00	14320.00	17190.00	12851.00	16704.00	13568.00	13997.00	13031.00	12647.00	12199.00	15458.00	13426.00	16282.00	14604.00	13538.00	16528.00
C29 H65 N25 O4	16425.00	16698.00	15169.00	15533.00	15104.00	13975.00	13362.00	13292.00	15255.00	12913.00	16351.00	13664.00	13853.00	16001.00	11750.00	12486.00	15031.00	13851.00	11616.00	11747.00	10907.00	11502.00	11211.00	12686.00	11455.00	12090.00	10821.00	11401.00	11158.00	12642.00	12531.00	11563.00	12265.00	10937.00	12714.00	13270.00	11053.00	12033.00	12329.00	15011.00	17860.00	16678.00	12828.00	12688.00	11657.00	9829.00	13657.00	11138.00	10731.00	12300.00	14649.00	13924.00	11221.00	12160.00
C9 H17 N4 O7	12037.00	10722.00	13686.00	13392.00	11321.00	11601.00	10183.00	1.00	11075.00	1.00	11885.00	1.00	15464.00	16295.00	13575.00	12799.00	13921.00	14679.00	12070.00	12284.00	11554.00	13449.00	12252.00	11082.00	12148.00	11190.00	12462.00	11753.00	13737.00	14140.00	15078.00	14058.00	9378.00	9094.00	1.00	8880.00	11431.00	11698.00	11960.00	11434.00	12145.00	13396.00	15720.00	15867.00	14209.00	13617.00	11719.00	1.00	9264.00	9634.00	11100.00	13584.00	10778.00	13159.00
C32 H69 N5 O14 Esi-0.84299964	10976.00	11797.00	23008.00	20699.00	21348.00	21566.00	20731.00	21080.00	15388.00	15526.00	16761.00	16204.00	20035.00	21072.00	14967.00	14796.00	15387.00	14966.00	19911.00	19828.00	19606.00	19756.00	14915.00	14720.00	15381.00	14758.00	20720.00	21908.00	22761.00	20114.00	20006.00	20822.00	20888.00	21392.00	20241.00	19973.00	15209.00	15681.00	20020.00	21285.00	19893.00	20438.00	21868.00	21742.00	16207.00	16010.00	20109.00	19222.00	18919.00	18591.00	16499.00	15579.00	21187.00	20726.00
C27 H51 N25 O	1.00	1.00	13528.00	13887.00	12902.00	12410.00	12953.00	14526.00	13411.00	10115.00	10157.00	12075.00	11741.00	13971.00	11512.00	10976.00	10672.00	10509.00	11059.00	11463.00	10524.00	14134.00	10176.00	11171.00	10403.00	12714.00	12572.00	11693.00	13771.00	12427.00	14483.00	12679.00	13185.00	14095.00	10779.00	13149.00	10281.00	12536.00	12520.00	13022.00	13645.00	15274.00	16261.00	13524.00	11983.00	11925.00	12913.00	13291.00	12894.00	11617.00	12293.00	12543.00	14088.00	14577.00
9-OxoOTrE Esi-10.9349985	154019.00	152273.00	33963.00	41966.00	20576.00	15202.00	32551.00	33157.00	80189.00	81406.00	113390.00	13419.00	32836.00	35215.00	18430.00	155356.00	129312.00	125601.00	69831.00	86577.00	23194.00	97487.00	16959.00	151482.00	173159.00	182310.00	18576.00	116320.00	17374.00	155584.00	13063.00	121568.00	28155.00	34661.00	51385.00	49543.00	143371.00	140717.00	25137.00	225740.00	231734.00	216175.00	250977.00	228431.00	69119.00	65123.00	45648.00	41836.00	59339.00	56626.00	96339.00	101029.00	24350.00	21240.00
(10S)-Juvenile hormone III diol	15839.00	19262.00	1.00	1.00	1.00	1.00	1.00	1.00	12379.00	12874.00	14886.00	14384.00	1.00	1.00	22170.00	20674.00	20707.00	19637.00	13232.00	12997.00	21419.00	18403.00	20600.00	18904.00	12654.00	14401.00	21163.00	21797.00	21116.00	21195.00	23432.00	19402.00	1.00	1.00	1.00	1.00	18053.00	15377.00	15555.00	13685.00	12064.00	10780.00	14362.00	14665.00	12675.00	11709.00	1.00	1.00	1.00	1.00	15227.00	15240.00	24775.00	21707.00
C47 H91 N2 O5	27865.00	30098.00	9434.00	10395.00	9832.00	11468.00	11047.00	10738.00	15204.00	15211.00	28776.00	26431.00	12999.00	12482.00	26248.00	28194.00	28962.00	27986.00	1.00	11146.00	12403.00	16413.00	32452.00	31154.00	29441.00	25296.00	13057.00	11582.00	12329.00	11236.00	16433.00	15031.00	12807.00	10783.00	13717.00	15964.00	27930.00	25779.00	13302.00	13856.00	14010.00	14319.00	13400.00	14786.00	25862.00	27945.00	13589.00	15992.00	14441.00	13958.00	27798.00	24102.00	11114.00	12696.00
Biotin sulfone	10935.00	10116.00	6897.00	7607.00	8251.00	8940.00	8861.00	8959.00	9032.00	8793.00	8378.00	8937.00	7598.00	6836.00	7254.00	7097.00	14480.00	13507.00	6860.00	6194.00	14345.00	14639.00	8620.00	9201.00	11664.00	11276.00	7269.00	8424.00	17470.00	16418.00	6561.00	6789.00	5531.00	5188.00	8172.00	7882.00	15226.00	16082.00	17115.00	16066.00	9856.00	10968.00	17713.00	14889.00	9190.00	11351.00	10172.00	9982.00	8127.00	6664.00	15258.00	15309.00	10940.00	9440.00
C33 H73 N8 O15	12146.00	13920.00	10474.00	12382.00	14415.00	15092.00	13800.00	12241.00	12523.00	12296.00	17872.00	14887.00	14323.00	13463.00	17130.00	14095.00	16473.00	17971.00	10948.00	12448.00	13501.00	15262.00	16259.00	14834.00	14220.00	16613.00	12821.00	14360.00	11628.00	11886.00	12833.00	13503.00	14097.00	13288.00	13766.00	15746.00	14667.00	17047.00	13028.00	13726.00	16034.00	16138.00	13770.00	13049.00	16342.00	13108.00	12761.00	14764.00	13008.00	13606.00	15300.00	16570.00	13412.00	12876.00
Endothal Esi-3.9830012	1.00	1.00	1.00	1.00	13788.00	15399.00	10569.00	12309.00	15127.00	13570.00	1.00	11849.00	1.00	1.00	11064.00	12835.00	11571.00	1.00	15432.00	17087.00	11813.00	1.00	12733.00	13810.00	1.00	1.00	12930.00	10926.00	10333.00	13938.00	1.00	1.00	13125.00	11280.00	13581.00	14393.00	1.00	1.00	10996.00	11973.00	1.00	11731.00	1.00	1.00	1.00	1.00	12077.00	14965.00	14524.00	14582.00	1.00	1.00	10139.00	11843.00
Dimethyl suberate Esi-5.8599963	13206.00	12668.00	13538.00	13885.00	15997.00	14871.00	11956.00	12245.00	11010.00	11790.00	1.00	11451.00	11923.00	12619.00	13092.00	11450.00	13900.00	14719.00	13080.00	14087.00	15317.00	11696.00	11840.00	12787.00	16692.00	13046.00	14189.00	13707.00	14622.00	16114.00	14186.00	16050.00	12483.00	13040.00	13503.00	13762.00	14013.00	14945.00	14562.00	16452.00	16517.00	15517.00	16383.00	14655.00	15730.00	17265.00	12703.00	13067.00	14076.00	14356.00	15164.00	17244.00	16303.00	15291.00
(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid Esi-10.955996	34110.00	23010.00	1.00	1.00	1.00	1.00	1.00	1.00	16358.00	15389.00	16585.00	25447.00	1.00	1.00	29830.00	17517.00	17143.00	27130.00	1.00	1.00	24538.00	17212.00	30350.00	18514.00	37835.00	36599.00	34691.00	27603.00	23761.00	20206.00	26109.00	27982.00	1.00	1.00	1.00	1.00	20364.00	40537.00	25635.00	38112.00	54645.00	33080.00	66224.00	61125.00	19421.00	19775.00	1.00	1.00	14718.00	28295.00	38164.00	24799.00	34660.00	53420.00
(S)-2-Ethyl-3-hydroxypropionic acid Esi-3.7409985	1.00	1.00	1.00	1.00	19683.00	14512.00	1.00	17260.00	17535.00	15339.00	1.00	19961.00	1.00	1.00	20540.00	25428.00	25879.00	26661.00	21840.00	15504.00	22572.00	21325.00	23381.00	20375.00	23597.00	20979.00	21455.00	18990.00	22468.00	21010.00	18165.00	23801.00	1.00	1.00	17466.00	13791.00	20125.00	21881.00	20195.00	19282.00	21095.00	18975.00	25306.00	25517.00	21454.00	18366.00	19770.00	23017.00	19969.00	19648.00	27502.00	29386.00	27329.00	21871.00
C23 H47 N16 O3 S Esi-11.756997	1.00	1.00	39283.00	31653.00	61611.00	47531.00	36960.00	126454.00	21868.00	30425.00	1.00	1.00	51043.00	31266.00	1.00	1.00	25305.00	19638.00	48314.00	31354.00	61832.00	16691.00	1.00	1.00	19049.00	13142.00	65561.00	21685.00	109548.00	123682.00	37609.00	88543.00	52948.00	23526.00	26111.00	56373.00	1.00	11193.00	42203.00	28274.00	23478.00	11410.00	30038.00	14844.00	12871.00	13194.00	15049.00	13901.00	27099.00	22714.00	26457.00	21556.00	87419.00	27824.00
Methyl jasmonate Esi-8.0390005	39881.00	38478.00	92156.00	51891.00	56963.00	42259.00	1.00	35588.00	36696.00	82251.00	28800.00	45539.00	57480.00	61840.00	39118.00	64957.00	52674.00	128183.00	46780.00	54020.00	135537.00	51170.00	50744.00	52077.00	102540.00	46820.00	70845.00	95308.00	182603.00	136373.00	86898.00	106785.00	139236.00	51179.00	94695.00	53687.00	44597.00	61254.00	37407.00	63331.00	53514.00	54142.00	48317.00	70546.00	30846.00	48635.00	34419.00	44984.00	46159.00	28838.00	80783.00	67151.00	94066.00	60971.00
C42 H73 O3	1.00	1.00	14236.00	16435.00	13716.00	15263.00	13454.00	17231.00	11931.00	11523.00	11315.00	10767.00	12166.00	13136.00	9131.00	10705.00	11825.00	9261.00	16023.00	13254.00	13054.00	12811.00	8852.00	8607.00	9813.00	1.00	13742.00	15439.00	14543.00	13945.00	16566.00	14567.00	15243.00	13144.00	12562.00	14874.00	8805.00	9571.00	16044.00	14911.00	14426.00	13212.00	16388.00	14538.00	10145.00	9442.00	15083.00	13648.00	13434.00	9913.00	9993.00	13018.00	16130.00	16847.00
Idebenone Metabolite (QS-4) Esi-6.638	16580.00	17500.00	14028.00	15619.00	14586.00	18885.00	14539.00	16899.00	17673.00	17648.00	15626.00	17452.00	15100.00	15284.00	16375.00	16606.00	15766.00	15431.00	14307.00	16945.00	19630.00	16808.00	17352.00	14822.00	16339.00	15717.00	1.00	14475.00	14482.00	17533.00	15033.00	18455.00	17794.00	18391.00	16901.00	14338.00	17536.00	15485.00	16715.00	17304.00	19990.00	16820.00	15684.00	17730.00	18343.00	14279.00	17124.00	16309.00	18486.00	15906.00	15820.00	15199.00	16343.00	15169.00
C3 H3 Cl3 O5 S4	1.00	1.00	10329.00	10174.00	10162.00	10939.00	10378.00	1.00	9609.00	1.00	9462.00	1.00	1.00	10329.00	1.00	9816.00	1.00	1.00	9375.00	1.00	9888.00	10449.00	9764.00	9882.00	1.00	1.00	10673.00	1.00	1.00	9767.00	11156.00	11540.00	11176.00	10118.00	1.00	1.00	10018.00	9574.00	9635.00	1.00	9721.00	10199.00	1.00	11257.00	11442.00	9866.00	10305.00	9971.00	9399.00	1.00	9927.00	10675.00	11893.00	10346.00
2-oxo-octadecanoic acid Esi-12.331993	20287.00	1.00	1.00	33755.00	10599.00	23629.00	11057.00	22861.00	13290.00	21326.00	41159.00	1.00	11785.00	12026.00	22954.00	10939.00	13518.00	18986.00	19725.00	19992.00	41012.00	27339.00	12011.00	26929.00	18657.00	10861.00	39486.00	20355.00	51766.00	57476.00	30493.00	41261.00	15919.00	20121.00	37267.00	1.00	11294.00	1.00	34298.00	13263.00	23681.00	41402.00	1.00	17739.00	43525.00	19882.00	18949.00	11051.00	28614.00	32301.00	1.00	25911.00	37791.00	14699.00
2-hydroxypyridine	6848.00	9417.00	7851.00	7885.00	5503.00	6320.00	5847.00	5587.00	4082.00	4190.00	6987.00	6515.00	15709.00	12613.00	15120.00	15305.00	12663.00	13194.00	4326.00	3450.00	6909.00	8191.00	10456.00	11433.00	8622.00	8661.00	10086.00	9483.00	5187.00	6170.00	10976.00	12013.00	6872.00	7140.00	9635.00	8600.00	5812.00	7557.00	6980.00	7821.00	7462.00	6550.00	7881.00	7736.00	9157.00	9762.00	6041.00	7535.00	6852.00	7369.00	11018.00	11986.00	7896.00	6217.00
C40 H77 N5 O	11084.00	14452.00	14106.00	14200.00	14459.00	15028.00	16831.00	18096.00	12434.00	13383.00	14824.00	14587.00	15923.00	15095.00	15405.00	15525.00	15403.00	14717.00	14826.00	14180.00	14388.00	14971.00	16339.00	15965.00	14162.00	16315.00	14531.00	15458.00	14617.00	15057.00	15888.00	15952.00	15714.00	15522.00	16069.00	16516.00	14990.00	15018.00	15617.00	16118.00	15833.00	15543.00	14998.00	16879.00	17059.00	16955.00	14745.00	14394.00	14639.00	14576.00	15880.00	16727.00	15629.00	13562.00
2-amino-4-cyano-butanoic acid Esi-0.8810003	42770.00	41250.00	45008.00	43932.00	41694.00	41861.00	41101.00	42227.00	45773.00	46658.00	54489.00	50191.00	53777.00	51014.00	16458.00	17816.00	10958.00	53662.00	13636.00	12546.00	48914.00	50743.00	63875.00	62050.00	51534.00	47506.00	50648.00	51095.00	65923.00	64314.00	19590.00	15136.00	12659.00	55271.00	9126.00	53278.00	11183.00	59609.00	59596.00	63036.00	13864.00	14980.00	17293.00	18059.00	18394.00	17126.00	12878.00	13687.00	13387.00	14622.00	56347.00	14060.00	60647.00	56422.00
Ipecac (Emetine)	1.00	1.00	10736.00	1.00	23832.00	19717.00	12892.00	32098.00	1.00	1.00	1.00	1.00	18812.00	1.00	1.00	1.00	1.00	1.00	25517.00	25815.00	28740.00	1.00	1.00	1.00	1.00	1.00	11817.00	1.00	22890.00	37529.00	1.00	20792.00	1.00	1.00	1.00	18585.00	1.00	1.00	25758.00	19960.00	1.00	1.00	28604.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	16362.00	1.00
Hymenoxon Esi-7.609001	1.00	1.00	69471.00	14217.00	50836.00	58269.00	22150.00	1.00	37936.00	24920.00	22457.00	1.00	89055.00	113262.00	99724.00	76208.00	35034.00	52310.00	37812.00	11218.00	41585.00	52072.00	1.00	22023.00	58622.00	22164.00	38296.00	44847.00	43535.00	47750.00	42581.00	50127.00	67006.00	32940.00	31539.00	65415.00	34097.00	27532.00	65087.00	63100.00	48228.00	26344.00	23908.00	51143.00	8627.00	185164.00	30413.00	28803.00	50916.00	1.00	33419.00	29332.00	27231.00	100259.00
C11 H24 N9 O7	14934.00	14469.00	16130.00	14075.00	15099.00	14935.00	13624.00	13967.00	12926.00	13593.00	14676.00	14887.00	13825.00	12842.00	13851.00	13782.00	14462.00	15540.00	15492.00	16904.00	13997.00	13995.00	13754.00	14988.00	14918.00	13247.00	12476.00	11688.00	15496.00	15074.00	1.00	11868.00	12845.00	1.00	13497.00	14750.00	12870.00	1.00	13717.00	14002.00	14845.00	15323.00	14770.00	13276.00	1.00	13499.00	13550.00	11662.00	12981.00	1.00	13604.00	15409.00	13517.00	15052.00
Iopodic acid	1.00	1.00	1.00	1.00	11161.00	1.00	1.00	1.00	10322.00	1.00	14138.00	1.00	10117.00	1.00	14027.00	13402.00	13226.00	16129.00	1.00	11133.00	11221.00	10032.00	1.00	15487.00	13725.00	13885.00	1.00	1.00	1.00	1.00	1.00	1.00	10545.00	10693.00	1.00	10936.00	1.00	12640.00	9818.00	11134.00	12012.00	12084.00	1.00	1.00	1.00	14060.00	1.00	1.00	11410.00	10892.00	1.00	11210.00	1.00	10466.00
C35 H67 N15	10727.00	12833.00	14352.00	14197.00	15094.00	15615.00	16576.00	15513.00	13824.00	13337.00	13437.00	13063.00	16234.00	16794.00	14521.00	15931.00	14287.00	14605.00	14802.00	15723.00	15034.00	16526.00	15822.00	14130.00	14367.00	14745.00	14021.00	15504.00	13774.00	14866.00	13998.00	16636.00	15721.00	14655.00	14968.00	17741.00	15866.00	16703.00	14896.00	15394.00	17591.00	15096.00	16713.00	14664.00	15287.00	13469.00	16055.00	14098.00	15479.00	16536.00	14415.00	13766.00	14336.00	14306.00
C25 H42 N10 O13	1.00	1.00	1.00	1.00	1.00	8594.00	1.00	1.00	1.00	8701.00	14021.00	13686.00	1.00	1.00	10594.00	9940.00	1.00	1.00	1.00	1.00	1.00	1.00	12728.00	11681.00	1.00	1.00	10460.00	9745.00	8454.00	1.00	1.00	1.00	9176.00	8893.00	1.00	8787.00	9989.00	9735.00	10565.00	10486.00	9997.00	9422.00	9525.00	1.00	1.00	1.00	12824.00	13024.00	12129.00	13175.00	16330.00	16832.00	12024.00	12292.00
10,15-Octadecadienoic acid, 9,12,13-trihydroxy- Esi-8.378	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	62404.00	63437.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	51903.00	1.00	1.00	1.00	1.00	62237.00	70432.00	1.00	1.00	1.00	1.00	1.00	31347.00	65838.00	86117.00	1.00	54037.00	66655.00	69152.00	36271.00	78218.00	1.00	1.00	1.00	1.00	53790.00	1.00	73258.00	72156.00
C37 H73 N3 O S2	10051.00	1.00	22198.00	17739.00	21583.00	18767.00	19377.00	21463.00	18075.00	14676.00	13070.00	12742.00	18282.00	17754.00	13155.00	12276.00	13103.00	10110.00	20109.00	15482.00	20607.00	20905.00	12767.00	11903.00	11011.00	10419.00	16540.00	20148.00	18386.00	19016.00	19050.00	18101.00	18123.00	19731.00	17967.00	16045.00	13999.00	13238.00	22516.00	17463.00	20186.00	18349.00	18499.00	19283.00	13291.00	11018.00	15261.00	19747.00	15757.00	17696.00	13462.00	15239.00	18834.00	20220.00
3-Oxotetradecanoyl-CoA	1.00	1.00	15662.00	16241.00	13958.00	14781.00	14011.00	18341.00	11006.00	11575.00	9016.00	11154.00	14595.00	14148.00	8484.00	10748.00	9889.00	9627.00	16846.00	14824.00	12424.00	15673.00	10780.00	9496.00	8418.00	9350.00	15797.00	15971.00	13789.00	13275.00	14951.00	18390.00	15481.00	12706.00	14933.00	13960.00	9272.00	10320.00	16131.00	14945.00	14709.00	15241.00	16195.00	15353.00	8580.00	8796.00	14703.00	12995.00	13853.00	12075.00	10166.00	12114.00	16960.00	18969.00
10,15-Octadecadienoic acid, 9,12,13-trihydroxy- Esi-10.434	1.00	30502.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	31035.00	1.00	1.00	1.00	42626.00	22689.00	1.00	28215.00	1.00	31342.00	1.00	1.00	38526.00	34571.00	38467.00	36441.00	30447.00	51340.00	67637.00	29458.00	41719.00	1.00	1.00	1.00	1.00	24320.00	37365.00	48239.00	46509.00	34429.00	33541.00	47889.00	46852.00	1.00	1.00	1.00	1.00	1.00	1.00	27350.00	31121.00	55982.00	38233.00
C30 H67 N14 O2 S	9590.00	9469.00	14823.00	14125.00	17303.00	14135.00	19478.00	15438.00	14899.00	14192.00	14042.00	13009.00	14385.00	16706.00	13356.00	13241.00	13274.00	16427.00	16044.00	15389.00	17736.00	13254.00	12245.00	13255.00	13251.00	11895.00	16549.00	17967.00	12036.00	14249.00	13838.00	15814.00	14368.00	15202.00	14506.00	14106.00	12402.00	14525.00	17140.00	15668.00	16298.00	16052.00	16656.00	16596.00	15702.00	13260.00	14400.00	16866.00	13600.00	15816.00	14841.00	14543.00	14859.00	14189.00
Palmitoyl glucuronide Esi-11.836995	18686.00	23501.00	30766.00	28061.00	34930.00	31073.00	33363.00	61659.00	22428.00	25059.00	20625.00	22267.00	34954.00	26242.00	19432.00	20009.00	25315.00	23185.00	33939.00	26849.00	41632.00	27263.00	20204.00	21434.00	24188.00	23769.00	45171.00	30787.00	55988.00	67805.00	32367.00	34493.00	34349.00	25451.00	26790.00	33329.00	23558.00	22115.00	32481.00	26834.00	23813.00	21315.00	34022.00	25147.00	26542.00	21928.00	24751.00	23891.00	26178.00	23369.00	22755.00	20658.00	47015.00	29556.00
C8 H4 N5 O8 S	10251.00	10162.00	1.00	10074.00	11123.00	10929.00	11660.00	11220.00	9561.00	10791.00	11643.00	10821.00	10313.00	9904.00	11606.00	13104.00	9844.00	1.00	10106.00	11824.00	9993.00	9322.00	13334.00	13883.00	10204.00	9494.00	9540.00	10813.00	12081.00	11818.00	10394.00	10913.00	1.00	10237.00	10969.00	1.00	11218.00	11317.00	11589.00	10793.00	12452.00	10765.00	12472.00	11403.00	1.00	12485.00	11253.00	11081.00	10424.00	10401.00	10148.00	11499.00	11817.00	9878.00
C36 H75 N14 O	14803.00	14423.00	12573.00	12059.00	13177.00	13943.00	14201.00	14140.00	11869.00	12701.00	15270.00	16096.00	14679.00	13646.00	16018.00	16228.00	16264.00	16454.00	13367.00	13281.00	13486.00	15224.00	17893.00	16233.00	15675.00	16283.00	14104.00	13214.00	14072.00	12810.00	13059.00	14525.00	13691.00	13024.00	15885.00	15147.00	15704.00	16696.00	14492.00	13094.00	13755.00	15150.00	13869.00	13574.00	16708.00	15114.00	13926.00	14258.00	13742.00	14711.00	16294.00	15753.00	13820.00	13344.00
C19 H2 Cl2 N2 O10 S5	15071.00	14458.00	1.00	1.00	1.00	1.00	1.00	1.00	11287.00	10159.00	13629.00	14076.00	10825.00	9755.00	13302.00	14450.00	14634.00	13953.00	9983.00	1.00	10157.00	1.00	16214.00	16602.00	14384.00	15906.00	1.00	10102.00	10213.00	1.00	1.00	10336.00	1.00	10387.00	10983.00	10651.00	15506.00	14071.00	11183.00	10195.00	10058.00	10397.00	1.00	1.00	15034.00	15135.00	10232.00	10887.00	12313.00	11729.00	13777.00	14719.00	10282.00	1.00
13(S)-HODE Esi-11.821002 :1	48410.00	43409.00	34460.00	77433.00	14921.00	72153.00	13791.00	34513.00	21693.00	25988.00	34014.00	39510.00	48986.00	21529.00	41973.00	45481.00	52981.00	53038.00	22482.00	51521.00	58526.00	24369.00	16149.00	39885.00	58003.00	73617.00	49674.00	30478.00	102244.00	129476.00	63753.00	80877.00	85731.00	1.00	50184.00	22129.00	46125.00	58283.00	72740.00	57200.00	52923.00	49384.00	67726.00	68574.00	42927.00	55748.00	16344.00	20492.00	27565.00	24064.00	59905.00	55522.00	136866.00	50771.00
C43 H77 N6 O11 Esi-12.743005 :2	1.00	1.00	95835.00	60219.00	264131.00	174852.00	155210.00	505020.00	72347.00	112688.00	1.00	1.00	169693.00	79501.00	1.00	1.00	29562.00	1.00	250177.00	128230.00	170767.00	36331.00	1.00	1.00	37686.00	1.00	176740.00	63449.00	266217.00	306938.00	74756.00	183640.00	237487.00	80321.00	60759.00	142758.00	1.00	1.00	142494.00	85595.00	63633.00	1.00	80326.00	1.00	1.00	1.00	31634.00	31555.00	86207.00	65015.00	49049.00	29587.00	336823.00	89202.00
C14 H5 N5 O3 S	6517.00	6898.00	3490.00	4765.00	7194.00	6320.00	7089.00	7210.00	10454.00	8903.00	9191.00	11399.00	4969.00	6332.00	7939.00	7979.00	1.00	1.00	10885.00	10734.00	5888.00	6109.00	10563.00	11277.00	4232.00	3426.00	7593.00	6597.00	9385.00	9034.00	4176.00	3654.00	11950.00	13249.00	1.00	1.00	15310.00	14223.00	10417.00	11449.00	7833.00	8418.00	6656.00	6242.00	6668.00	7532.00	10008.00	8948.00	8238.00	10679.00	10483.00	12063.00	11224.00	10416.00
C15 H3 N O2	1.00	1.00	1.00	1.00	11329.00	11337.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10914.00	11147.00	11823.00	1.00	12093.00	1.00	11250.00	11260.00	13541.00	11908.00	1.00	1.00	1.00	1.00	13736.00	12825.00	12306.00	12819.00	12431.00	12031.00	1.00	1.00	14667.00	14421.00	10962.00	1.00	1.00	1.00	10190.00	1.00	13747.00	13187.00	1.00	12474.00	12459.00	11117.00	12143.00	10583.00	11298.00	13235.00
(+/-)-6-Hydroxy-3-oxo-alpha-ionol Esi-8.869997	234752.00	237630.00	279863.00	265148.00	149312.00	160471.00	144365.00	142083.00	208273.00	215854.00	223301.00	210264.00	229437.00	246458.00	360954.00	361650.00	644840.00	658779.00	107491.00	107959.00	364927.00	342145.00	270182.00	281739.00	689824.00	680553.00	285045.00	269911.00	231939.00	224388.00	444605.00	488894.00	192963.00	176137.00	246982.00	229859.00	256610.00	263161.00	267239.00	286702.00	352476.00	346727.00	321760.00	313417.00	204085.00	185524.00	208041.00	206973.00	165335.00	171342.00	394425.00	420148.00	268074.00	264444.00
C39 H79 Cl2 N6 O8	9815.00	17171.00	9303.00	15791.00	17243.00	11108.00	17031.00	15354.00	13289.00	10112.00	15036.00	14037.00	13389.00	12419.00	16423.00	17423.00	14399.00	19061.00	14288.00	17886.00	14914.00	13367.00	13298.00	12233.00	17904.00	19035.00	16119.00	15066.00	16189.00	13917.00	13192.00	15251.00	15703.00	12892.00	14707.00	17158.00	16981.00	17382.00	9200.00	16738.00	15207.00	15662.00	11709.00	13792.00	13639.00	16747.00	13328.00	11350.00	10799.00	13115.00	15496.00	19677.00	15778.00	13813.00
C31 H69 N15 O3	1.00	8686.00	10938.00	1.00	10251.00	10439.00	10141.00	10436.00	1.00	9024.00	10578.00	1.00	10724.00	9300.00	10286.00	9781.00	9941.00	10423.00	9136.00	10327.00	8995.00	10859.00	1.00	9262.00	10169.00	10503.00	10748.00	10361.00	9436.00	9478.00	9039.00	10514.00	8768.00	10383.00	11002.00	12117.00	11221.00	10474.00	10008.00	8838.00	10872.00	9509.00	10702.00	10547.00	9125.00	9594.00	10179.00	10082.00	10277.00	9189.00	8643.00	9374.00	9432.00	9214.00
C8 H10 O2 S	12558.00	11502.00	1.00	1.00	1.00	9787.00	1.00	12420.00	12990.00	14286.00	13012.00	12496.00	1.00	11820.00	1.00	1.00	11889.00	11241.00	10999.00	1.00	12487.00	12698.00	9766.00	1.00	12852.00	12053.00	11781.00	11582.00	1.00	1.00	10149.00	10978.00	1.00	10314.00	1.00	11885.00	11188.00	13493.00	11304.00	1.00	13091.00	12145.00	11120.00	1.00	10503.00	10570.00	13957.00	14002.00	13217.00	11795.00	15832.00	14229.00	11111.00	12193.00
3-(3,4-Dihydroxyphenyl)pyruvate	5529.00	5525.00	13550.00	12916.00	14439.00	12739.00	10366.00	11203.00	7359.00	7248.00	6182.00	5727.00	14585.00	14854.00	9929.00	10375.00	12477.00	10982.00	10806.00	12590.00	10440.00	11360.00	7572.00	7278.00	11115.00	9667.00	10495.00	10898.00	8324.00	7075.00	14707.00	15897.00	10745.00	9366.00	13805.00	12804.00	7016.00	6803.00	11674.00	10162.00	8365.00	8911.00	8698.00	9766.00	11836.00	11829.00	10051.00	10485.00	10868.00	8193.00	10106.00	12824.00	10810.00	9051.00
(3R)-3-isopropenyl-6-oxoheptanoic acid Esi-7.1210017 :1	50017.00	25188.00	50229.00	84442.00	40262.00	21533.00	34070.00	50279.00	37355.00	42090.00	41000.00	43778.00	52549.00	52886.00	74043.00	62105.00	91167.00	59927.00	42128.00	34143.00	72341.00	64561.00	41332.00	47404.00	65659.00	95146.00	60145.00	54005.00	58343.00	57092.00	78420.00	85809.00	34881.00	42488.00	49955.00	45877.00	48607.00	57442.00	79131.00	50252.00	52311.00	50166.00	77237.00	51808.00	122899.00	56483.00	31799.00	42173.00	38139.00	47767.00	38829.00	55609.00	61891.00	49865.00
C13 Cl3 O13 S5	10240.00	11903.00	1.00	1.00	1.00	1.00	1.00	1.00	9382.00	1.00	12312.00	11635.00	9509.00	1.00	12673.00	12420.00	11037.00	10894.00	1.00	1.00	1.00	1.00	13990.00	12065.00	12933.00	13577.00	1.00	10393.00	9394.00	1.00	9917.00	10744.00	1.00	1.00	11278.00	13228.00	13801.00	12677.00	9633.00	9998.00	10350.00	10354.00	1.00	10200.00	14492.00	13285.00	1.00	8820.00	1.00	1.00	12378.00	10861.00	10173.00	1.00
C35 H63 N20	9641.00	11088.00	10614.00	10794.00	10469.00	10260.00	12656.00	13320.00	12661.00	1.00	12021.00	15517.00	13948.00	13695.00	13370.00	14745.00	14115.00	14241.00	12943.00	11989.00	11159.00	14206.00	16665.00	12754.00	13898.00	13839.00	13086.00	12876.00	10124.00	13886.00	13277.00	11286.00	13136.00	11114.00	14899.00	14920.00	8757.00	13462.00	13158.00	13783.00	13909.00	12641.00	13038.00	12098.00	15103.00	14291.00	13107.00	11228.00	12568.00	15038.00	16625.00	17127.00	14843.00	12883.00
C11 H18 O3	29483.00	21863.00	43352.00	27252.00	17001.00	19114.00	17069.00	15218.00	21165.00	21995.00	21569.00	21744.00	25405.00	35902.00	35541.00	13478.00	52752.00	48542.00	16284.00	15334.00	35484.00	42833.00	22868.00	21906.00	15649.00	16324.00	26711.00	22853.00	25371.00	19073.00	18296.00	19923.00	19078.00	22296.00	27375.00	21293.00	26855.00	20332.00	21635.00	20368.00	14789.00	17855.00	17974.00	28272.00	14572.00	11884.00	24454.00	17736.00	23719.00	19282.00	37968.00	31090.00	27657.00	14474.00
C4 H4 O2	43242.00	43927.00	34716.00	39092.00	38167.00	38355.00	37681.00	39474.00	44339.00	37230.00	43960.00	43228.00	45914.00	43582.00	23979.00	51871.00	48897.00	48846.00	35006.00	33645.00	40447.00	40915.00	48677.00	51068.00	48084.00	43696.00	47808.00	49120.00	36781.00	38559.00	42338.00	38562.00	34291.00	40078.00	39105.00	37523.00	42015.00	39545.00	39725.00	40839.00	37338.00	43307.00	39629.00	40074.00	42197.00	44154.00	40473.00	40697.00	43309.00	43331.00	48076.00	49750.00	39784.00	38109.00
C42 H77 N10 O4	14052.00	12993.00	10793.00	1.00	10977.00	9977.00	11412.00	11666.00	11542.00	12131.00	14852.00	13811.00	12372.00	11939.00	15671.00	14560.00	14866.00	15609.00	11413.00	11391.00	12397.00	10304.00	14383.00	13478.00	13164.00	14063.00	10806.00	11777.00	10530.00	11391.00	12333.00	12915.00	10337.00	11730.00	13280.00	12331.00	14520.00	15082.00	11836.00	11897.00	12785.00	11656.00	11519.00	10972.00	13959.00	12790.00	12325.00	10858.00	12796.00	12288.00	14700.00	14610.00	11236.00	11729.00
C17 H28 N2 O6	10923.00	11947.00	12506.00	12898.00	12507.00	11545.00	13575.00	12081.00	12452.00	12012.00	13984.00	26779.00	11433.00	12387.00	12924.00	13027.00	12293.00	29056.00	13030.00	12770.00	25755.00	12954.00	13318.00	13017.00	11347.00	1.00	12923.00	23100.00	11597.00	12125.00	12201.00	12106.00	12485.00	13430.00	12401.00	13456.00	12846.00	12562.00	12122.00	12808.00	12185.00	12750.00	12956.00	11524.00	12497.00	12161.00	1.00	23242.00	12329.00	11785.00	27652.00	11411.00	11551.00	12706.00
C7 H2 N3 O S5	11789.00	11493.00	1.00	10120.00	11125.00	11206.00	10083.00	11077.00	9498.00	1.00	11630.00	11786.00	9214.00	10831.00	11472.00	12872.00	11671.00	13318.00	10607.00	10133.00	9299.00	10606.00	12669.00	12836.00	11803.00	12529.00	1.00	10737.00	9714.00	9190.00	10757.00	11966.00	10645.00	10914.00	10158.00	10689.00	11954.00	12469.00	9886.00	10511.00	10739.00	10769.00	10027.00	1.00	12292.00	11585.00	10675.00	10989.00	11883.00	11216.00	13345.00	12148.00	1.00	9920.00
C30 H29 N23 O10	1.00	1.00	14481.00	13645.00	15645.00	14508.00	16655.00	12257.00	10769.00	13244.00	4566.00	5668.00	13352.00	11615.00	3611.00	3447.00	6845.00	6061.00	15899.00	12883.00	14814.00	10728.00	3711.00	3323.00	6986.00	6707.00	13824.00	11667.00	13004.00	13775.00	11530.00	14520.00	15388.00	11965.00	9844.00	13536.00	3757.00	4750.00	12785.00	10844.00	10715.00	9402.00	12161.00	6592.00	1.00	3579.00	8608.00	8394.00	10175.00	9765.00	8678.00	6813.00	13673.00	10798.00
C28 H39 N10 O4 Esi-9.135003	14181.00	15352.00	1.00	1.00	16396.00	13486.00	15475.00	16586.00	1.00	10750.00	18205.00	29235.00	12121.00	12141.00	23032.00	11715.00	1.00	1.00	16035.00	14412.00	15314.00	16627.00	16308.00	17566.00	17480.00	18203.00	14010.00	14305.00	16085.00	16877.00	12454.00	14430.00	12666.00	1.00	13041.00	13116.00	18791.00	19324.00	14167.00	14628.00	11750.00	12981.00	11579.00	12027.00	12473.00	13732.00	12022.00	11244.00	11319.00	12171.00	20182.00	18901.00	14247.00	14473.00
C22 H44 O8 Esi-12.75	1.00	1.00	29846.00	1.00	34439.00	15316.00	37991.00	201878.00	16162.00	25880.00	1.00	1.00	51895.00	1.00	1.00	1.00	1.00	1.00	56638.00	19852.00	111922.00	1.00	1.00	1.00	1.00	1.00	70895.00	17684.00	165949.00	182569.00	1.00	74131.00	48240.00	1.00	1.00	31399.00	1.00	1.00	51534.00	25625.00	18701.00	1.00	37737.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	17774.00	1.00	113718.00	20172.00
C22 H55 N26	1.00	1.00	15008.00	16481.00	13465.00	13905.00	13775.00	15203.00	11660.00	9279.00	9441.00	9107.00	13572.00	14086.00	1.00	8539.00	9649.00	1.00	12887.00	12700.00	14162.00	13313.00	10510.00	9043.00	9960.00	1.00	15116.00	15554.00	13005.00	12478.00	12879.00	14151.00	13462.00	11707.00	13292.00	11880.00	10837.00	9390.00	13078.00	13603.00	12230.00	13708.00	15292.00	13200.00	10085.00	9227.00	12727.00	12345.00	12342.00	12558.00	9784.00	10210.00	14360.00	14634.00
C32 H67 N18 O4	10549.00	11713.00	10146.00	9763.00	11004.00	9609.00	11100.00	14336.00	10025.00	13765.00	17293.00	14013.00	13124.00	13153.00	13687.00	13150.00	13023.00	13721.00	12776.00	11563.00	11969.00	12782.00	12892.00	15217.00	15038.00	13157.00	12151.00	11112.00	11508.00	13147.00	12194.00	10815.00	14164.00	13382.00	13049.00	13959.00	16056.00	12840.00	10999.00	11571.00	12772.00	14214.00	12852.00	11727.00	13385.00	12760.00	15033.00	13378.00	11989.00	11396.00	15252.00	15792.00	12924.00	11004.00
Maleic hydrazide	11797.00	14225.00	10336.00	1.00	10789.00	9655.00	9718.00	1.00	10442.00	13003.00	1.00	1.00	16156.00	13461.00	13400.00	14004.00	11836.00	12101.00	12333.00	15194.00	10836.00	10243.00	15006.00	13200.00	1.00	1.00	13981.00	10902.00	13328.00	14600.00	1.00	1.00	1.00	1.00	1.00	1.00	14158.00	12181.00	11325.00	10346.00	14021.00	14141.00	13894.00	11424.00	1.00	11581.00	14557.00	12338.00	11584.00	11973.00	12719.00	13689.00	1.00	1.00
C41 H55 N20 O	10538.00	12959.00	13349.00	11602.00	10923.00	11018.00	12622.00	13121.00	13911.00	10848.00	13679.00	12755.00	12499.00	12215.00	15085.00	13247.00	11277.00	14333.00	11849.00	12568.00	15167.00	12514.00	12043.00	12651.00	12843.00	11486.00	11751.00	12688.00	13287.00	12234.00	12959.00	13663.00	11504.00	9934.00	13221.00	11878.00	13915.00	14263.00	13630.00	14129.00	13709.00	14495.00	12307.00	14621.00	13530.00	11258.00	14643.00	14327.00	14239.00	14915.00	13422.00	12740.00	13797.00	13199.00
C44 H20 N9 O S	10032.00	1.00	10061.00	11966.00	10880.00	11413.00	10994.00	1.00	11192.00	10851.00	1.00	1.00	11164.00	10648.00	1.00	1.00	13445.00	10265.00	12142.00	11916.00	1.00	11184.00	1.00	9946.00	9938.00	1.00	10288.00	10823.00	1.00	1.00	12036.00	1.00	10491.00	11129.00	10687.00	12676.00	10490.00	10244.00	11224.00	10426.00	12770.00	10761.00	12285.00	10393.00	9987.00	1.00	10074.00	1.00	11520.00	1.00	12268.00	11647.00	1.00	11871.00
C8 H4 N4 O9 S Esi-0.8499996	43269.00	44567.00	30293.00	29584.00	32334.00	30262.00	33416.00	34396.00	35805.00	32397.00	41470.00	40758.00	33943.00	32776.00	40001.00	42569.00	41177.00	42272.00	29522.00	31958.00	28945.00	33304.00	41266.00	43888.00	39904.00	42431.00	31443.00	30847.00	28349.00	29435.00	30516.00	33108.00	32685.00	31172.00	33462.00	33938.00	39784.00	39489.00	34198.00	30295.00	34543.00	33565.00	32543.00	31046.00	38303.00	38114.00	33079.00	34848.00	35017.00	33180.00	40575.00	38876.00	31070.00	31633.00
C13 H5 N O7	12466.00	12990.00	1.00	10969.00	11404.00	11034.00	13135.00	13137.00	11974.00	11834.00	10946.00	10047.00	10576.00	10668.00	1.00	1.00	1.00	1.00	10169.00	12604.00	11931.00	13407.00	1.00	1.00	11515.00	11579.00	11517.00	13450.00	12574.00	9876.00	13908.00	12337.00	12797.00	11828.00	11357.00	10695.00	11745.00	12379.00	10899.00	11606.00	12799.00	14591.00	1.00	1.00	14996.00	15377.00	14508.00	13235.00	13371.00	13829.00	1.00	1.00	12822.00	13525.00
C29 H29 N23 O8	1.00	1.00	1.00	1.00	13187.00	13323.00	13640.00	1.00	11454.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	15307.00	14590.00	14091.00	13157.00	1.00	1.00	1.00	1.00	13913.00	13160.00	15218.00	15904.00	1.00	11620.00	14356.00	12129.00	1.00	11594.00	1.00	1.00	13724.00	12900.00	12483.00	11541.00	13406.00	1.00	1.00	1.00	11246.00	1.00	11632.00	11063.00	1.00	1.00	13925.00	12174.00
Succinic anhydride	19563.00	36031.00	29522.00	44103.00	40472.00	35285.00	36192.00	38228.00	27220.00	57554.00	37265.00	32724.00	12413.00	79945.00	34124.00	32485.00	32846.00	32462.00	33589.00	74848.00	33116.00	18899.00	35734.00	33361.00	43184.00	41762.00	26092.00	27058.00	25424.00	19714.00	75369.00	28741.00	18832.00	78926.00	30725.00	30940.00	27873.00	30979.00	22535.00	20962.00	24020.00	86683.00	18997.00	33910.00	33545.00	41357.00	43180.00	26267.00	22534.00	39777.00	36349.00	37859.00	27960.00	27470.00
C27 H37 N24 O9	1.00	1.00	68724.00	34997.00	83626.00	54994.00	70990.00	93650.00	39816.00	56410.00	1.00	1.00	77257.00	31429.00	1.00	1.00	23238.00	18605.00	87283.00	55398.00	92706.00	25717.00	1.00	15959.00	28481.00	22581.00	89496.00	49295.00	96757.00	94520.00	33065.00	76316.00	84692.00	27488.00	20515.00	69164.00	1.00	13384.00	63614.00	39887.00	45987.00	17846.00	57101.00	16120.00	1.00	1.00	1.00	1.00	26584.00	14485.00	41045.00	24552.00	88832.00	34881.00
C7 H4 N2 O9 S2	14696.00	13317.00	1.00	1.00	14014.00	1.00	14941.00	13213.00	13616.00	13096.00	14686.00	15922.00	13140.00	12540.00	13443.00	14772.00	14078.00	12958.00	13114.00	12895.00	11865.00	14456.00	16485.00	16447.00	14787.00	14472.00	12813.00	13905.00	11807.00	14154.00	1.00	14258.00	14731.00	12875.00	13669.00	14409.00	15956.00	16147.00	13850.00	12634.00	13082.00	13748.00	13576.00	12663.00	14332.00	15077.00	12679.00	11906.00	12282.00	14604.00	16647.00	16344.00	12725.00	13109.00
C41 H47 N3 O23 Esi-11.606997	1.00	1.00	37155.00	33775.00	39775.00	37967.00	38471.00	31737.00	30041.00	34564.00	11327.00	15329.00	38350.00	31955.00	1.00	12269.00	21761.00	18184.00	37937.00	33112.00	39378.00	27655.00	13365.00	13314.00	19618.00	16115.00	37691.00	32182.00	31720.00	32697.00	27278.00	34397.00	39128.00	32004.00	25613.00	33839.00	1.00	17152.00	34188.00	28636.00	32252.00	23320.00	30735.00	19173.00	1.00	1.00	21808.00	22347.00	27510.00	29072.00	27352.00	18245.00	32605.00	27904.00
2-(Acetamidomethylene)succinate Esi-0.8950004	98093.00	97123.00	82470.00	84979.00	102555.00	100138.00	91526.00	88620.00	97458.00	96992.00	122167.00	121067.00	118155.00	120355.00	93376.00	87707.00	112614.00	115178.00	81860.00	88102.00	95375.00	98216.00	89571.00	93454.00	123669.00	115347.00	133116.00	131209.00	138875.00	138330.00	103099.00	105144.00	135999.00	136576.00	97855.00	94125.00	110188.00	109988.00	96693.00	100308.00	114080.00	123343.00	108285.00	109349.00	104939.00	106015.00	103007.00	105842.00	111035.00	109259.00	104606.00	105769.00	106301.00	100594.00
C48 H72 Cl N5 S	11774.00	11931.00	13628.00	14265.00	15940.00	13729.00	15553.00	16294.00	14019.00	12131.00	14406.00	15555.00	15678.00	15530.00	14317.00	15011.00	14088.00	14786.00	13434.00	16399.00	16105.00	14199.00	13996.00	14485.00	12751.00	15184.00	15386.00	14235.00	13145.00	14369.00	15947.00	15694.00	14975.00	15276.00	16292.00	14985.00	13781.00	12509.00	14568.00	14695.00	15410.00	13793.00	15101.00	14614.00	14496.00	15087.00	14189.00	13249.00	14998.00	14572.00	15024.00	15477.00	14580.00	14878.00
C11 H8 N4 O13	5990.00	6028.00	10029.00	8149.00	13698.00	14365.00	10005.00	9550.00	9133.00	8385.00	8982.00	8429.00	5348.00	6197.00	7151.00	6537.00	12879.00	13136.00	6048.00	7278.00	9739.00	10247.00	5785.00	6350.00	8595.00	10120.00	8374.00	9670.00	9389.00	8337.00	6787.00	7550.00	7557.00	7975.00	11810.00	11420.00	11092.00	11579.00	6194.00	6412.00	7192.00	7787.00	5049.00	5208.00	11104.00	10454.00	6595.00	5965.00	6217.00	5115.00	6128.00	5964.00	10602.00	11240.00
C49 H65 Cl N6 O	8921.00	1.00	16406.00	18327.00	18518.00	17441.00	17369.00	18351.00	14032.00	13676.00	13237.00	11431.00	15228.00	16054.00	13217.00	13085.00	10261.00	13668.00	15441.00	17056.00	16075.00	19219.00	14153.00	10427.00	12518.00	12324.00	18213.00	17651.00	18038.00	17198.00	17564.00	15115.00	16911.00	16017.00	17023.00	17287.00	14765.00	12394.00	16877.00	16642.00	15380.00	18996.00	19769.00	17269.00	12741.00	15843.00	13586.00	16004.00	15034.00	15805.00	14182.00	13624.00	19261.00	16530.00
C33 H69 N12	9235.00	10419.00	14076.00	14853.00	15425.00	11245.00	13399.00	14894.00	12728.00	12009.00	14974.00	9370.00	13794.00	14196.00	12453.00	10208.00	9539.00	12884.00	15119.00	14740.00	13964.00	13887.00	13391.00	11831.00	10298.00	10865.00	14053.00	15588.00	10245.00	15192.00	14505.00	14830.00	14879.00	14563.00	15518.00	13154.00	13518.00	12227.00	12788.00	13800.00	15813.00	14000.00	14601.00	13381.00	13334.00	13602.00	13770.00	13799.00	14836.00	12403.00	13198.00	12778.00	15414.00	14449.00
C29 H30 N5 O22	19294.00	18006.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	17641.00	17079.00	14119.00	15385.00	10896.00	1.00	1.00	1.00	1.00	12546.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	16065.00	12435.00	14613.00	15446.00	15779.00	15239.00	14476.00	14778.00	1.00	15383.00	1.00	1.00	1.00	12962.00	1.00	1.00	1.00
C5 H8 O4	1.00	1.00	1.00	1.00	13647.00	13388.00	11852.00	1.00	1.00	1.00	1.00	1.00	13473.00	14893.00	1.00	10451.00	1.00	1.00	12469.00	1.00	13236.00	1.00	1.00	1.00	1.00	1.00	17995.00	17474.00	10691.00	11832.00	11170.00	14589.00	1.00	1.00	1.00	1.00	1.00	1.00	13193.00	12423.00	1.00	13213.00	14120.00	13331.00	1.00	1.00	12443.00	1.00	12687.00	12657.00	1.00	1.00	13121.00	12379.00
C10 H14 N7 S2	12765.00	14752.00	1.00	1.00	1.00	1.00	1.00	4759.00	6119.00	5713.00	9390.00	10243.00	4263.00	4224.00	11481.00	11303.00	9213.00	10046.00	1.00	1.00	3734.00	4421.00	13804.00	12463.00	10965.00	11422.00	3192.00	4945.00	3625.00	3450.00	4032.00	4957.00	1.00	3195.00	4695.00	5357.00	11040.00	10559.00	3089.00	3557.00	4430.00	4468.00	3629.00	3613.00	10410.00	10064.00	5261.00	3828.00	5225.00	4659.00	9802.00	8801.00	4393.00	4115.00
C37 H55 N3 O26 S	1.00	1.00	14995.00	15635.00	14354.00	14187.00	15588.00	15701.00	9838.00	1.00	8667.00	9484.00	13090.00	13136.00	9875.00	9175.00	1.00	8996.00	11295.00	13641.00	13657.00	13749.00	8800.00	9226.00	9783.00	10019.00	14270.00	13737.00	13237.00	13956.00	12439.00	15653.00	13951.00	13896.00	12575.00	11541.00	9427.00	1.00	13902.00	15189.00	14289.00	13225.00	15457.00	14836.00	1.00	9114.00	13318.00	11602.00	12065.00	12589.00	8267.00	11969.00	14590.00	13155.00
Furmecyclox	1.00	1.00	11452.00	10556.00	1.00	12312.00	10559.00	11626.00	11512.00	11492.00	1.00	10663.00	10483.00	9827.00	9389.00	9674.00	10789.00	10478.00	13040.00	11312.00	13671.00	11047.00	9827.00	10947.00	10731.00	10273.00	12728.00	11775.00	14772.00	14233.00	10364.00	11948.00	12245.00	11048.00	9930.00	12728.00	1.00	11624.00	12128.00	10542.00	11176.00	12853.00	10862.00	11215.00	11665.00	10118.00	12248.00	11328.00	10581.00	10418.00	11410.00	9820.00	12567.00	10597.00
C40 H79 Cl2 N S2	1.00	1.00	19118.00	16646.00	18850.00	15815.00	17900.00	16391.00	11449.00	11600.00	10021.00	8712.00	17158.00	15318.00	11520.00	11890.00	11023.00	10603.00	14070.00	19704.00	16991.00	13942.00	10280.00	10628.00	8338.00	10028.00	20782.00	15122.00	16361.00	14001.00	13610.00	16632.00	12957.00	13967.00	15950.00	15045.00	11072.00	10773.00	15083.00	17928.00	16162.00	19620.00	15229.00	16569.00	10098.00	8846.00	16635.00	16645.00	11553.00	14580.00	11466.00	12265.00	18159.00	18229.00
C6 H4 N O2 S3 Esi-3.4919987	1.00	127157.00	1.00	1.00	74340.00	66597.00	1.00	65827.00	12643.00	143036.00	150273.00	163413.00	1.00	129914.00	163369.00	150913.00	1.00	142145.00	1.00	77374.00	1.00	1.00	108456.00	1.00	134269.00	66449.00	1.00	172850.00	155390.00	72307.00	1.00	1.00	1.00	21637.00	65777.00	74498.00	158022.00	65444.00	42252.00	161643.00	75846.00	1.00	1.00	1.00	1.00	77325.00	140939.00	160212.00	64357.00	1.00	1.00	84151.00	1.00	1.00
Hypotaurine	1975887.00	1971348.00	2545039.00	2539520.00	2709462.00	2659274.00	2461506.00	2453627.00	2259873.00	2219513.00	2064363.00	2053564.00	1801741.00	1796940.00	1649405.00	1642025.00	2024252.00	2039197.00	2040844.00	2073179.00	2522630.00	2500779.00	1755539.00	1747887.00	2107194.00	2152410.00	2518580.00	2611893.00	2129437.00	2202213.00	2119786.00	2171717.00	2211327.00	2140178.00	2060462.00	1925966.00	2018105.00	1939195.00	2080646.00	2110860.00	1997567.00	1892677.00	1970633.00	1924818.00	1787124.00	1744469.00	2393379.00	2338590.00	2253688.00	2240007.00	2272442.00	2199274.00	2430734.00	2526420.00
C4 H5 Cl N O Esi-0.92200065	50497.00	63136.00	33197.00	39564.00	46490.00	37931.00	44409.00	48005.00	49237.00	47547.00	60010.00	66976.00	53379.00	56494.00	59932.00	65102.00	62587.00	62266.00	49734.00	43845.00	49637.00	51675.00	54023.00	65668.00	60343.00	68536.00	51918.00	47816.00	51284.00	50151.00	58488.00	51593.00	49187.00	51181.00	51698.00	61313.00	65447.00	66286.00	53203.00	58205.00	58007.00	48400.00	49251.00	45630.00	69791.00	58352.00	57472.00	45324.00	56293.00	53792.00	64165.00	71718.00	51941.00	48317.00
Butopyronoxyl Esi-7.5290027	1.00	1.00	20529.00	51588.00	20879.00	30661.00	17827.00	1.00	15001.00	1.00	1.00	1.00	32930.00	82541.00	1.00	23108.00	38309.00	46022.00	1.00	40603.00	1.00	34458.00	1.00	1.00	1.00	35063.00	1.00	87851.00	29640.00	41838.00	53971.00	45003.00	1.00	1.00	1.00	35445.00	1.00	1.00	36882.00	46738.00	25280.00	29884.00	43787.00	49818.00	45766.00	22896.00	1.00	28281.00	1.00	1.00	1.00	1.00	53810.00	1.00
C31 H59 N22 O	13658.00	10537.00	11602.00	13071.00	13586.00	12413.00	13013.00	13377.00	12160.00	12181.00	12333.00	12725.00	13578.00	13550.00	13298.00	14632.00	10444.00	13283.00	12511.00	14810.00	15140.00	14362.00	15457.00	10859.00	15445.00	11727.00	14420.00	13879.00	12280.00	14704.00	12332.00	13559.00	12570.00	13495.00	17355.00	17539.00	11994.00	10398.00	12144.00	13794.00	15028.00	14119.00	11572.00	15108.00	13865.00	14983.00	12457.00	13191.00	13682.00	12263.00	13084.00	14792.00	13585.00	10816.00
Patuletin 3,3'-di-O-sulfate	11816.00	11162.00	12290.00	12067.00	12281.00	13270.00	13103.00	12196.00	12713.00	13576.00	13298.00	13949.00	10749.00	12657.00	12840.00	13059.00	12927.00	14068.00	12307.00	10928.00	11897.00	11444.00	13050.00	12274.00	12800.00	12696.00	12165.00	13797.00	11694.00	14663.00	12097.00	13319.00	10504.00	11210.00	13028.00	12530.00	12519.00	11469.00	10259.00	11974.00	13451.00	11351.00	12420.00	11217.00	11820.00	11984.00	12271.00	11803.00	11139.00	10698.00	11606.00	12715.00	11352.00	11235.00
C18 H47 N12 O12	6775.00	6925.00	8265.00	8083.00	8728.00	8282.00	11615.00	9116.00	11510.00	10735.00	11805.00	11768.00	8089.00	8486.00	13608.00	13648.00	10917.00	10046.00	8317.00	10051.00	13001.00	12873.00	12527.00	11473.00	15178.00	14824.00	13312.00	13724.00	15375.00	14353.00	12277.00	12508.00	9368.00	8562.00	10717.00	11411.00	9808.00	8716.00	9581.00	8370.00	12034.00	13024.00	11837.00	13215.00	8459.00	9994.00	13569.00	13391.00	10873.00	10098.00	12596.00	12422.00	10668.00	10865.00
C26 H36 N10 Esi-5.4909983 :1	90278.00	74356.00	66703.00	84319.00	100796.00	85996.00	189897.00	84363.00	115911.00	60036.00	75967.00	64422.00	58790.00	85985.00	77093.00	98561.00	67980.00	72185.00	70959.00	66965.00	65912.00	75832.00	77631.00	82893.00	183990.00	79578.00	75033.00	108555.00	81891.00	84369.00	14359.00	50027.00	74464.00	97200.00	110930.00	68754.00	70371.00	75759.00	77477.00	129493.00	86903.00	73590.00	74781.00	83829.00	76167.00	73705.00	75964.00	55034.00	73885.00	69412.00	207529.00	76997.00	78619.00	71925.00
1-O-Sinapoyl-?-D-glucose Esi-0.9049998	1.00	11588.00	23435.00	26069.00	27736.00	23839.00	27194.00	24513.00	20985.00	21608.00	1.00	1.00	15448.00	14940.00	1.00	1.00	11243.00	11002.00	21832.00	20809.00	27215.00	27053.00	1.00	1.00	13941.00	15374.00	25303.00	27690.00	21376.00	21007.00	17678.00	17628.00	22521.00	23374.00	19290.00	20839.00	10163.00	13237.00	20242.00	20420.00	18456.00	18506.00	17018.00	16173.00	1.00	1.00	24364.00	23233.00	22169.00	21426.00	14995.00	17103.00	23889.00	24824.00
Heliotrine	12274.00	11650.00	11366.00	14039.00	11237.00	12098.00	11938.00	6525.00	10866.00	9984.00	12793.00	12598.00	9944.00	13245.00	10680.00	10648.00	12635.00	12622.00	11412.00	12397.00	9806.00	12862.00	13535.00	13112.00	12435.00	11750.00	10238.00	13630.00	7788.00	6411.00	10662.00	10601.00	10079.00	10541.00	11693.00	11723.00	13546.00	12725.00	16071.00	14447.00	14414.00	14139.00	13542.00	15476.00	11999.00	10657.00	12046.00	11716.00	12932.00	13265.00	15476.00	13647.00	11306.00	13263.00
6Z,9Z-octadecadienoic acid Esi-13.033998	10925.00	9615.00	13736.00	1.00	11221.00	1.00	19287.00	153824.00	29526.00	46812.00	1.00	1.00	20410.00	1.00	1.00	1.00	14315.00	11653.00	106060.00	36122.00	368768.00	34848.00	17980.00	15743.00	27593.00	17581.00	288514.00	68962.00	589648.00	596042.00	19810.00	78716.00	48733.00	1.00	1.00	15301.00	9453.00	10814.00	261510.00	109268.00	157266.00	40089.00	263991.00	48151.00	1.00	1.00	1.00	1.00	9052.00	1.00	12572.00	1.00	359451.00	44576.00
2E-hexenol	1.00	1.00	18386.00	1.00	1.00	1.00	1.00	16472.00	1.00	1.00	1.00	1.00	14079.00	12649.00	14174.00	18010.00	1.00	12863.00	1.00	1.00	9093.00	16557.00	51219.00	13284.00	19111.00	13723.00	14255.00	14076.00	1.00	14298.00	16615.00	16549.00	1.00	1.00	11223.00	15819.00	1.00	50528.00	12879.00	13185.00	1.00	1.00	1.00	15493.00	1.00	11198.00	14645.00	1.00	1.00	13698.00	9933.00	14157.00	1.00	1.00
C3 Cl2 N	13338.00	14093.00	11678.00	11846.00	12290.00	13856.00	10968.00	12952.00	13892.00	14754.00	12913.00	14325.00	12146.00	12852.00	13658.00	13174.00	13009.00	11526.00	14980.00	15708.00	13249.00	12774.00	11761.00	13935.00	13037.00	12115.00	13703.00	10671.00	12572.00	12538.00	12369.00	11104.00	12111.00	11069.00	12461.00	13796.00	13911.00	15730.00	14185.00	13494.00	11395.00	12719.00	15266.00	12453.00	15932.00	13742.00	13868.00	15061.00	15530.00	14903.00	14083.00	14500.00	12483.00	11000.00
2-oxo-octadecanoic acid Esi-12.408998	37082.00	12357.00	25195.00	11147.00	12523.00	14181.00	14079.00	33166.00	15460.00	17182.00	47723.00	1.00	13980.00	14175.00	24661.00	15385.00	11500.00	13987.00	16382.00	57705.00	87381.00	46353.00	13056.00	13505.00	26596.00	15970.00	75587.00	22451.00	129066.00	74990.00	41509.00	19807.00	32439.00	1.00	34512.00	12201.00	15287.00	21092.00	79440.00	55020.00	29418.00	11659.00	63645.00	20616.00	41140.00	48705.00	20987.00	19818.00	26145.00	36864.00	14123.00	18956.00	128549.00	17595.00
C38 H69 N16 O	1.00	1.00	1.00	1.00	1.00	15403.00	29472.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	19802.00	1.00	51800.00	1.00	1.00	1.00	23969.00	1.00	1.00	1.00	1.00	1.00	1.00	25734.00	1.00	123280.00	1.00	1.00	1.00	1.00	1.00	30233.00	1.00	1.00	14350.00	31982.00	27858.00	25946.00	67126.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	56464.00	22186.00	1.00	25526.00
C30 H49 N16 O19 S	1.00	1.00	11811.00	13859.00	13007.00	12015.00	11414.00	11818.00	1.00	1.00	1.00	1.00	11926.00	10540.00	1.00	1.00	1.00	1.00	10395.00	11209.00	11632.00	10689.00	1.00	1.00	1.00	1.00	12196.00	11195.00	11825.00	13242.00	11623.00	10999.00	10495.00	10505.00	10977.00	10551.00	1.00	1.00	11512.00	9999.00	11987.00	13027.00	12523.00	12320.00	1.00	8376.00	11243.00	11314.00	10637.00	10848.00	9710.00	1.00	13371.00	10758.00
C36 H79 N12 S	11711.00	10930.00	9754.00	10962.00	9983.00	11122.00	10661.00	12343.00	10876.00	10748.00	13833.00	13123.00	12375.00	11546.00	14769.00	14314.00	13760.00	12731.00	9687.00	10748.00	10693.00	11567.00	13501.00	11286.00	13303.00	12966.00	9611.00	11318.00	12568.00	11649.00	11433.00	10605.00	10767.00	11854.00	10554.00	11084.00	12297.00	12330.00	11173.00	12070.00	12098.00	12394.00	11002.00	10037.00	15065.00	12338.00	10941.00	13335.00	13356.00	11589.00	13639.00	13839.00	10992.00	10655.00
C6 H4 N O2 S3 Esi-13.270647	43912.00	123799.00	1.00	1.00	33267.00	61290.00	45036.00	1.00	1.00	1.00	81032.00	23109.00	57062.00	67682.00	1.00	53481.00	67597.00	1.00	1.00	25996.00	40067.00	33504.00	51263.00	31120.00	34809.00	32019.00	41617.00	1.00	1.00	34257.00	23043.00	52215.00	42793.00	64205.00	17125.00	48948.00	1.00	44878.00	40171.00	1.00	65118.00	63617.00	52917.00	20310.00	1.00	1.00	237989.00	1.00	52533.00	1.00	16416.00	1.00	1.00	34601.00
4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol	9225.00	9999.00	11387.00	9715.00	9081.00	9656.00	1.00	1.00	1.00	1.00	1.00	1.00	16643.00	18195.00	20226.00	20298.00	13814.00	15280.00	14516.00	15163.00	11117.00	9312.00	9709.00	10230.00	1.00	1.00	15161.00	13536.00	24299.00	21468.00	20846.00	22481.00	12575.00	15065.00	11846.00	12014.00	14884.00	14013.00	12595.00	12199.00	24072.00	26479.00	23349.00	22780.00	20321.00	22035.00	13929.00	13623.00	15563.00	14691.00	15024.00	14583.00	10434.00	11981.00
C45 H79 N3 O13 Esi-12.806	1.00	1.00	95530.00	49242.00	130006.00	86929.00	122283.00	365291.00	65012.00	146166.00	1.00	1.00	161945.00	57427.00	1.00	1.00	49900.00	1.00	175534.00	96075.00	203203.00	43824.00	1.00	1.00	50129.00	29576.00	200057.00	77978.00	352756.00	434785.00	61440.00	197995.00	200280.00	55470.00	33077.00	98078.00	1.00	1.00	140623.00	88917.00	90375.00	1.00	104160.00	1.00	1.00	1.00	1.00	1.00	41136.00	1.00	68532.00	1.00	321571.00	82165.00
Triciribine Esi-6.6719975	28146.00	29604.00	25443.00	22852.00	31663.00	31424.00	35350.00	50491.00	30988.00	27873.00	43926.00	40818.00	1.00	26690.00	39966.00	34893.00	22767.00	23229.00	41346.00	35136.00	26430.00	26903.00	62888.00	58889.00	25278.00	24610.00	34233.00	32095.00	32986.00	39523.00	38512.00	39225.00	46434.00	43567.00	51284.00	55940.00	55905.00	50795.00	56986.00	48276.00	35078.00	34250.00	38799.00	34458.00	40735.00	41077.00	34662.00	37245.00	54900.00	57365.00	46161.00	47621.00	55272.00	43207.00
8-tridecynoic acid	1.00	1.00	18174.00	1.00	1.00	1.00	1.00	16103.00	1.00	14680.00	15664.00	17149.00	15909.00	18021.00	14494.00	15715.00	1.00	1.00	1.00	1.00	1.00	1.00	14413.00	1.00	15039.00	1.00	16078.00	1.00	1.00	1.00	12058.00	19730.00	1.00	1.00	1.00	14753.00	1.00	1.00	19489.00	1.00	1.00	12846.00	1.00	1.00	16444.00	16491.00	1.00	1.00	1.00	1.00	1.00	15295.00	17312.00	17499.00
C37 H75 N20 O4	7600.00	15142.00	5075.00	5408.00	5416.00	6095.00	7316.00	6324.00	7377.00	8022.00	10959.00	9427.00	7102.00	6962.00	11857.00	11905.00	10675.00	14328.00	6989.00	6193.00	7876.00	7680.00	11831.00	14636.00	9791.00	11773.00	6571.00	7121.00	6587.00	6691.00	7092.00	7777.00	7391.00	7322.00	9270.00	8612.00	11316.00	10981.00	6328.00	5583.00	6583.00	6839.00	7205.00	6429.00	10005.00	12037.00	7063.00	8139.00	8648.00	6581.00	9729.00	12573.00	6307.00	7736.00
12R,13S-epoxy-9S-hydroxy-10E-octadecenoic acid Esi-10.307005	83346.00	78755.00	31572.00	35119.00	17786.00	23702.00	23860.00	18904.00	41104.00	37699.00	49482.00	52452.00	43902.00	41336.00	110526.00	103659.00	88863.00	76770.00	59755.00	64528.00	66166.00	67201.00	73677.00	70846.00	98693.00	98514.00	66446.00	66216.00	78364.00	89523.00	120007.00	124045.00	29637.00	25040.00	45305.00	52284.00	83593.00	85345.00	127987.00	141453.00	102309.00	102502.00	133138.00	118133.00	73291.00	78468.00	30842.00	31651.00	63050.00	66747.00	92433.00	102202.00	123373.00	126243.00
C8 H11 N O12	11224.00	11037.00	1.00	1.00	10215.00	1.00	9464.00	9263.00	11108.00	11047.00	13940.00	13617.00	10962.00	10730.00	11591.00	12861.00	11728.00	10644.00	9984.00	12316.00	11543.00	10749.00	12003.00	11700.00	12571.00	13908.00	9937.00	9430.00	1.00	1.00	9797.00	1.00	10986.00	9971.00	12292.00	11990.00	11466.00	11214.00	9309.00	10102.00	12288.00	12005.00	9905.00	9276.00	13498.00	12273.00	9244.00	12202.00	13232.00	12174.00	12471.00	10775.00	10624.00	12086.00
C26 H56 Cl N25 O3	9636.00	12176.00	20327.00	17278.00	19090.00	19542.00	19919.00	21843.00	14258.00	16906.00	15055.00	16377.00	17340.00	21260.00	17423.00	15721.00	13614.00	17426.00	18874.00	19214.00	17878.00	20510.00	13837.00	16318.00	17820.00	14296.00	21669.00	18185.00	21260.00	17273.00	20695.00	19499.00	17660.00	18764.00	20420.00	18554.00	14637.00	17335.00	16587.00	21145.00	20799.00	20471.00	19557.00	20267.00	15265.00	15581.00	24852.00	18619.00	17714.00	15821.00	15453.00	17247.00	18965.00	19001.00
Alanylclavam	1.00	14517.00	17164.00	17477.00	20355.00	20143.00	1.00	1.00	21317.00	19934.00	25804.00	22086.00	20505.00	17392.00	1.00	1.00	1.00	1.00	16384.00	14962.00	16595.00	16452.00	1.00	1.00	17199.00	20776.00	21758.00	19774.00	28046.00	27602.00	21400.00	21160.00	24980.00	23535.00	16549.00	17182.00	15917.00	16138.00	19601.00	20951.00	19760.00	18766.00	18675.00	19996.00	21934.00	19353.00	15747.00	17106.00	19956.00	19536.00	16367.00	15621.00	19700.00	20619.00
Taurocholic acid Esi-6.434 :2	28914.00	24097.00	35539.00	34163.00	29931.00	26885.00	26944.00	27781.00	29557.00	29858.00	20490.00	18142.00	15640.00	18479.00	17571.00	17310.00	19781.00	19439.00	67096.00	63795.00	15086.00	16288.00	17064.00	19073.00	1.00	1.00	20647.00	20507.00	1.00	1.00	17977.00	19024.00	21228.00	22979.00	37409.00	38217.00	1.00	1.00	72172.00	72912.00	20710.00	20329.00	20556.00	19805.00	27779.00	28529.00	1.00	1.00	21988.00	20762.00	1.00	1.00	1.00	1.00
C28 H63 N19 O11	13627.00	15097.00	13093.00	15044.00	15930.00	12119.00	15275.00	15547.00	14979.00	13922.00	13840.00	16359.00	13767.00	13056.00	17385.00	12434.00	14290.00	14602.00	13659.00	14791.00	16121.00	14139.00	15175.00	17145.00	14881.00	14362.00	14785.00	12868.00	14128.00	11584.00	12421.00	14930.00	12985.00	16453.00	14292.00	16088.00	15134.00	14673.00	13099.00	13659.00	16110.00	13480.00	14357.00	12220.00	14739.00	14489.00	16728.00	17402.00	15175.00	12416.00	15792.00	17140.00	12129.00	14164.00
Triamcinolone Esi-10.947999	34648.00	32582.00	38094.00	35909.00	34063.00	38883.00	39110.00	35822.00	37660.00	37233.00	42192.00	35701.00	34818.00	34730.00	35827.00	34947.00	33164.00	36628.00	39379.00	33846.00	33409.00	37511.00	36133.00	23815.00	30566.00	34155.00	35004.00	31490.00	34592.00	33670.00	33214.00	31164.00	35590.00	34135.00	35297.00	31578.00	32456.00	35471.00	35227.00	33900.00	34642.00	32922.00	35395.00	35772.00	36477.00	38964.00	35143.00	31445.00	31357.00	32295.00	34980.00	32711.00	31646.00	33170.00
PE(20:3(8Z,11Z,14Z)/0:0)	1.00	1.00	10888.00	12211.00	1.00	10087.00	11296.00	12459.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12729.00	10820.00	10212.00	11434.00	1.00	1.00	1.00	1.00	11758.00	11875.00	14160.00	13491.00	1.00	1.00	12917.00	11160.00	1.00	1.00	1.00	1.00	11441.00	11197.00	10438.00	10069.00	1.00	1.00	1.00	1.00	1.00	1.00	10914.00	1.00	1.00	1.00	14147.00	1.00
C36 H67 N15 O	10622.00	11296.00	12445.00	11607.00	12092.00	9950.00	11494.00	12162.00	10851.00	11204.00	10875.00	15515.00	11880.00	11140.00	14193.00	14054.00	11337.00	14178.00	10529.00	10931.00	12006.00	14231.00	11269.00	12517.00	13340.00	10958.00	10733.00	13633.00	12292.00	12659.00	11513.00	14995.00	11286.00	14266.00	13511.00	15683.00	12213.00	14619.00	12486.00	12631.00	13331.00	11352.00	13844.00	12795.00	12194.00	14713.00	12915.00	13355.00	13565.00	13460.00	13143.00	15069.00	13205.00	13240.00
C22 H41 Cl O3 S	14424.00	12200.00	12405.00	9952.00	10604.00	12625.00	11683.00	12833.00	9262.00	13263.00	13657.00	13290.00	11906.00	11818.00	13446.00	1.00	15485.00	11385.00	9996.00	10469.00	11571.00	15975.00	12360.00	13250.00	9513.00	13409.00	1.00	11996.00	1.00	9735.00	9426.00	1.00	11200.00	13153.00	13282.00	12629.00	15530.00	10529.00	10102.00	11073.00	11676.00	13664.00	1.00	11742.00	1.00	17251.00	11383.00	1.00	10717.00	11830.00	12418.00	10759.00	1.00	13214.00
C6 H10 N2 O10	7627.00	7266.00	11447.00	10414.00	13947.00	13606.00	12400.00	11753.00	9537.00	10508.00	9935.00	9326.00	8308.00	8586.00	6925.00	5342.00	8246.00	8346.00	7617.00	8470.00	10730.00	8376.00	8927.00	8092.00	8178.00	7104.00	9653.00	9526.00	5572.00	5523.00	7089.00	7005.00	9790.00	9797.00	9387.00	11201.00	5349.00	5244.00	6734.00	8137.00	6227.00	6803.00	6822.00	6538.00	8210.00	6911.00	11981.00	12484.00	10581.00	9673.00	7886.00	8572.00	8743.00	7197.00
C29 H37 N14 O	599704.00	593939.00	317801.00	324632.00	430097.00	422922.00	502188.00	517124.00	452324.00	467100.00	854629.00	844447.00	377768.00	409036.00	970525.00	961825.00	583747.00	583972.00	468450.00	468359.00	618235.00	608321.00	850557.00	848937.00	1111107.00	1136578.00	544816.00	542585.00	607753.00	664324.00	646574.00	647935.00	431538.00	423712.00	464536.00	491220.00	753610.00	749572.00	549459.00	542593.00	556358.00	580827.00	536198.00	531741.00	861326.00	874658.00	510290.00	508469.00	433224.00	424574.00	921269.00	920907.00	597589.00	553232.00
C31 H47 N3 O10 Esi-9.325005	74495.00	70713.00	89310.00	95665.00	65318.00	66006.00	92419.00	88576.00	78452.00	78747.00	108504.00	101008.00	71280.00	76611.00	133600.00	133285.00	14540.00	16092.00	70605.00	68683.00	124572.00	122212.00	112188.00	110145.00	18999.00	17705.00	118898.00	121720.00	136168.00	136499.00	12789.00	12494.00	80982.00	77801.00	86696.00	85001.00	108516.00	101032.00	104063.00	98697.00	113435.00	113864.00	120903.00	120047.00	103508.00	104104.00	90546.00	89580.00	70363.00	70313.00	13093.00	109298.00	108029.00	101940.00
C29 H49 N3 O12 Esi-6.890005 :2	45979.00	130459.00	45227.00	50394.00	127312.00	131604.00	85764.00	90245.00	48514.00	50521.00	170188.00	143209.00	70977.00	86441.00	214316.00	215426.00	74947.00	74645.00	113439.00	115804.00	81193.00	29461.00	152813.00	150562.00	108541.00	115599.00	71023.00	68007.00	72026.00	77652.00	99653.00	33734.00	84877.00	82381.00	103016.00	103393.00	202421.00	204983.00	81516.00	85671.00	64738.00	64592.00	23622.00	67093.00	329015.00	323777.00	76845.00	80452.00	106981.00	105754.00	183524.00	190335.00	29205.00	91672.00
C38 H75 N2 O2	1.00	1.00	13516.00	12533.00	13668.00	13834.00	13527.00	13525.00	9687.00	10925.00	9826.00	9034.00	10655.00	12244.00	10316.00	8961.00	1.00	9040.00	11688.00	12990.00	12055.00	12201.00	1.00	1.00	8570.00	1.00	14824.00	13880.00	11808.00	12758.00	13304.00	12103.00	12814.00	13883.00	11422.00	11864.00	8784.00	9081.00	13006.00	13781.00	14717.00	10985.00	12887.00	14570.00	10400.00	10393.00	11927.00	14129.00	12051.00	11448.00	10559.00	9202.00	13888.00	13566.00
C31 H47 N21 O9	1.00	1.00	12511.00	11250.00	12126.00	13792.00	12423.00	11679.00	8355.00	1.00	1.00	1.00	10601.00	11636.00	1.00	1.00	1.00	1.00	10886.00	10074.00	10680.00	10579.00	1.00	1.00	1.00	1.00	12701.00	12598.00	12059.00	11581.00	10721.00	11796.00	10306.00	10634.00	8835.00	10037.00	1.00	1.00	11266.00	11535.00	10822.00	11440.00	10070.00	12703.00	1.00	1.00	9329.00	10342.00	9358.00	8370.00	1.00	9186.00	11816.00	12536.00
?-9(10)-EpODE Esi-11.781004	65343.00	38726.00	23581.00	24304.00	21360.00	24782.00	23556.00	54067.00	31933.00	29686.00	50510.00	53346.00	31804.00	27324.00	46344.00	63605.00	45062.00	41088.00	68137.00	63180.00	78724.00	38469.00	330689.00	33486.00	59342.00	51158.00	76799.00	64664.00	123769.00	176747.00	64901.00	95564.00	24849.00	18985.00	27479.00	37689.00	38874.00	66817.00	112617.00	91804.00	73228.00	55525.00	115347.00	102423.00	63667.00	62815.00	17532.00	19342.00	31198.00	39423.00	58816.00	40907.00	126264.00	67969.00
C52 H81 O	12897.00	13486.00	11634.00	11879.00	12297.00	11660.00	12394.00	13644.00	10254.00	11633.00	14453.00	15423.00	15617.00	15240.00	16207.00	16785.00	16897.00	15667.00	12579.00	12308.00	13106.00	13723.00	18697.00	15246.00	16058.00	16698.00	12439.00	14355.00	13099.00	12415.00	11008.00	13187.00	13640.00	14695.00	13773.00	15232.00	15955.00	14035.00	10808.00	11920.00	13958.00	10107.00	14467.00	12159.00	16176.00	15863.00	13108.00	11699.00	13559.00	14767.00	13768.00	17124.00	13995.00	13425.00
C13 H Cl3 N2 O12 S5	23325.00	25904.00	13955.00	10222.00	11611.00	13296.00	14753.00	12421.00	15860.00	16295.00	22672.00	22295.00	16124.00	16855.00	22603.00	21428.00	23059.00	16810.00	15875.00	14321.00	15126.00	12867.00	19892.00	23928.00	24853.00	16348.00	15458.00	13134.00	15353.00	13097.00	15071.00	12600.00	16733.00	13515.00	16518.00	15720.00	19174.00	22079.00	15673.00	14746.00	15606.00	16606.00	14547.00	16219.00	21784.00	19721.00	16372.00	15460.00	19353.00	16178.00	24462.00	22095.00	14639.00	16692.00
Dacarbazine	19793.00	1.00	1.00	20301.00	22425.00	20613.00	15229.00	17009.00	19493.00	21394.00	18414.00	11444.00	24043.00	14190.00	23204.00	22897.00	1.00	16252.00	10121.00	15128.00	12848.00	18394.00	15453.00	20022.00	14751.00	20966.00	17842.00	20768.00	24958.00	1.00	22293.00	30121.00	24144.00	21797.00	23014.00	14799.00	15969.00	22724.00	16943.00	20290.00	16229.00	23242.00	23705.00	15578.00	20968.00	13254.00	22881.00	12853.00	21279.00	21063.00	25600.00	26767.00	18145.00	21896.00
C15 H30 N9 O2 Esi-13.125	1.00	1.00	12679.00	196912.00	64861.00	33784.00	44945.00	77725.00	61404.00	19082.00	1.00	1.00	69131.00	1.00	237738.00	1.00	1.00	1.00	47164.00	60871.00	55379.00	34065.00	31239.00	176369.00	1.00	1.00	36951.00	37749.00	42995.00	42708.00	204816.00	31376.00	34633.00	1.00	215966.00	145237.00	1.00	42124.00	35965.00	12596.00	171860.00	54500.00	22995.00	132081.00	1.00	1.00	1.00	16522.00	1.00	14786.00	45857.00	1.00	30948.00	174476.00
Iridotrial glucoside Esi-5.9280005	190804.00	197670.00	245218.00	251494.00	11534.00	12112.00	243737.00	240568.00	252784.00	246763.00	11384.00	12731.00	11668.00	12419.00	11843.00	10589.00	13571.00	12976.00	262560.00	267172.00	237589.00	252403.00	11416.00	11260.00	10672.00	290073.00	16932.00	15848.00	10811.00	14169.00	236770.00	228264.00	12877.00	16595.00	11852.00	12264.00	14398.00	12780.00	248245.00	236770.00	212605.00	214092.00	14564.00	15039.00	39158.00	37874.00	12115.00	12106.00	286988.00	284397.00	12615.00	12612.00	237886.00	241972.00
Anastatin B	12321.00	12984.00	1.00	1.00	1.00	1.00	9580.00	8837.00	11642.00	11130.00	13006.00	13272.00	11057.00	10289.00	1.00	1.00	11638.00	10731.00	1.00	1.00	1.00	8780.00	1.00	10354.00	13892.00	12583.00	9196.00	1.00	11194.00	11611.00	9684.00	8791.00	11124.00	10908.00	11171.00	10305.00	15362.00	12566.00	8539.00	9274.00	11784.00	11190.00	1.00	1.00	11749.00	12108.00	1.00	9064.00	10857.00	11423.00	11730.00	10706.00	1.00	9596.00
Trans-2, 3, 4-Trimethoxycinnamate Esi-7.9519973	15172.00	15891.00	25531.00	25217.00	47446.00	45979.00	29334.00	31245.00	20471.00	19784.00	16991.00	21294.00	19048.00	20393.00	20338.00	25245.00	20000.00	15399.00	33863.00	34434.00	20853.00	19446.00	14037.00	12906.00	14191.00	19137.00	21988.00	17669.00	18778.00	25847.00	18189.00	19021.00	30248.00	27607.00	28459.00	36531.00	16653.00	19904.00	24577.00	23609.00	15449.00	17152.00	17536.00	15461.00	32610.00	32109.00	20158.00	20114.00	30247.00	32968.00	26935.00	27441.00	16499.00	28813.00
C29 H30 N2 O21 Esi-11.454003	43461.00	43973.00	1.00	1.00	1.00	1.00	1.00	1.00	25508.00	25838.00	33446.00	31146.00	1.00	1.00	47851.00	46434.00	39316.00	39061.00	25969.00	26415.00	33224.00	32996.00	46219.00	46974.00	51937.00	50424.00	37010.00	34792.00	41703.00	39402.00	38549.00	38032.00	1.00	1.00	1.00	1.00	42943.00	43998.00	60004.00	59445.00	56081.00	54324.00	63508.00	56912.00	27796.00	26457.00	1.00	1.00	19810.00	1.00	33323.00	33519.00	48440.00	44619.00
13(S)-HODE Esi-11.895001 :1	42757.00	44225.00	34516.00	77433.00	19287.00	72608.00	14082.00	45197.00	26723.00	31950.00	33710.00	38784.00	49030.00	69426.00	46593.00	49354.00	54858.00	52218.00	38737.00	59711.00	52531.00	30703.00	44262.00	45819.00	63578.00	63585.00	58079.00	38793.00	114423.00	138424.00	65853.00	86081.00	83036.00	57325.00	50184.00	28760.00	60407.00	59039.00	82783.00	64021.00	58374.00	48025.00	85168.00	60531.00	54960.00	52104.00	16344.00	49699.00	31570.00	31302.00	59381.00	56873.00	123090.00	64957.00
C39 H65 N9 O4	1.00	1.00	11435.00	9725.00	12062.00	10709.00	10903.00	10864.00	10585.00	1.00	1.00	1.00	10334.00	10537.00	8863.00	10787.00	1.00	9688.00	12958.00	10900.00	12184.00	13301.00	8797.00	1.00	1.00	9281.00	11991.00	12472.00	10495.00	11895.00	12158.00	13124.00	10564.00	12825.00	12107.00	9982.00	10632.00	9979.00	9596.00	10335.00	10869.00	11387.00	10827.00	12987.00	9946.00	9706.00	10374.00	12168.00	9571.00	9404.00	11939.00	9526.00	12024.00	11187.00
C43 H77 N6 O11 Esi-12.743005 :3	1.00	1.00	96043.00	59696.00	259390.00	172683.00	152412.00	494630.00	71392.00	108932.00	1.00	1.00	174427.00	79225.00	1.00	1.00	29562.00	1.00	254804.00	133636.00	169063.00	36124.00	1.00	1.00	37686.00	1.00	179491.00	66184.00	274832.00	303191.00	73955.00	196233.00	231558.00	79681.00	60454.00	145714.00	1.00	1.00	139415.00	85023.00	63134.00	1.00	79725.00	1.00	1.00	1.00	31310.00	31555.00	86207.00	64723.00	48774.00	29587.00	316241.00	94299.00
Tolytoxin	14017.00	11623.00	9976.00	11436.00	12693.00	11032.00	11205.00	12328.00	12731.00	9554.00	15124.00	12421.00	13288.00	12207.00	13707.00	14502.00	12615.00	14098.00	11705.00	11563.00	13493.00	13261.00	14607.00	15446.00	15300.00	14673.00	10808.00	11409.00	10920.00	9680.00	13344.00	12349.00	11507.00	13297.00	13158.00	15601.00	16757.00	14690.00	12935.00	13653.00	12787.00	13402.00	12285.00	13239.00	15945.00	13656.00	13049.00	13596.00	14164.00	12877.00	15113.00	14030.00	12091.00	11604.00
C4 H4 N2 O6 S Esi-0.96099955 :1	56807.00	68477.00	66306.00	66959.00	59757.00	60649.00	68692.00	83529.00	70194.00	70496.00	79145.00	70563.00	69251.00	66355.00	74103.00	79628.00	77525.00	69751.00	69441.00	75915.00	65609.00	56599.00	74794.00	77066.00	61560.00	61411.00	60294.00	55012.00	75114.00	71372.00	65991.00	68597.00	66713.00	58040.00	55632.00	69289.00	46101.00	70719.00	74982.00	64415.00	72205.00	73575.00	69946.00	65508.00	53714.00	60485.00	56418.00	87652.00	48376.00	61861.00	62277.00	59744.00	67245.00	66893.00
C45 H90	13161.00	11261.00	1.00	1.00	1.00	1.00	1.00	1.00	9572.00	1.00	12319.00	12365.00	10656.00	9820.00	11554.00	12820.00	13744.00	13838.00	11319.00	10611.00	1.00	1.00	13134.00	11877.00	12343.00	11313.00	1.00	1.00	1.00	9105.00	1.00	9260.00	9738.00	9764.00	1.00	11119.00	13049.00	13122.00	9598.00	1.00	11940.00	9745.00	1.00	1.00	1.00	12030.00	9425.00	11198.00	11196.00	10356.00	14870.00	14193.00	9170.00	9276.00
(3R)-3-isopropenyl-6-oxoheptanoic acid Esi-6.9259973	38978.00	40989.00	36935.00	35516.00	34662.00	1.00	30557.00	1.00	27374.00	43085.00	39598.00	33163.00	63346.00	48818.00	51050.00	39597.00	58082.00	64739.00	39821.00	37927.00	76787.00	53825.00	40661.00	1.00	57793.00	63979.00	42321.00	55625.00	35604.00	36329.00	49846.00	54542.00	31100.00	29912.00	38697.00	31365.00	31845.00	40202.00	45672.00	41890.00	46294.00	40400.00	55444.00	39930.00	50453.00	1.00	38206.00	1.00	31522.00	36460.00	23932.00	43206.00	38783.00	36866.00
C3 Cl2 N2 O2	49006.00	45442.00	1.00	1.00	1.00	1.00	1.00	1.00	17223.00	21197.00	45514.00	34923.00	19024.00	1.00	34016.00	38102.00	33946.00	34066.00	1.00	13738.00	1.00	1.00	41813.00	40906.00	37475.00	41002.00	1.00	1.00	20726.00	1.00	22334.00	15345.00	1.00	1.00	18206.00	17484.00	36795.00	35723.00	19903.00	17789.00	22389.00	21280.00	1.00	16275.00	39329.00	40867.00	17991.00	18916.00	1.00	21367.00	32729.00	38961.00	15051.00	16778.00
C40 H71 N17 O3	11742.00	12152.00	12588.00	11720.00	11792.00	11610.00	11200.00	10689.00	11104.00	11203.00	11766.00	10379.00	10590.00	10578.00	10819.00	10218.00	10983.00	12316.00	1.00	1.00	1.00	1.00	9864.00	1.00	10205.00	10083.00	1.00	1.00	1.00	9884.00	1.00	1.00	1.00	9988.00	10019.00	1.00	1.00	9878.00	10998.00	12367.00	13400.00	12955.00	11838.00	11797.00	1.00	1.00	1.00	10279.00	1.00	10392.00	11390.00	11643.00	10254.00	1.00
C33 H66 N11 O2	1.00	1.00	13777.00	14361.00	13501.00	14902.00	13928.00	12759.00	1.00	8786.00	1.00	1.00	12722.00	11974.00	1.00	8983.00	8578.00	8535.00	11200.00	14266.00	11628.00	11508.00	1.00	1.00	8531.00	1.00	12869.00	12400.00	11404.00	11160.00	11019.00	11392.00	11660.00	12834.00	11775.00	11672.00	1.00	1.00	10653.00	13905.00	11017.00	13950.00	13222.00	10765.00	1.00	8650.00	10185.00	14039.00	9421.00	10869.00	1.00	1.00	11319.00	13687.00
C34 H63 N21	1.00	8811.00	9601.00	10877.00	10663.00	11126.00	11912.00	11110.00	9579.00	1.00	10460.00	11206.00	11097.00	10725.00	12831.00	11000.00	10098.00	12029.00	10784.00	11338.00	12009.00	10236.00	11907.00	10299.00	11138.00	10586.00	10104.00	10377.00	9847.00	10740.00	11659.00	11157.00	10622.00	10061.00	11994.00	11172.00	10289.00	10945.00	10957.00	10585.00	12363.00	11618.00	10696.00	11621.00	11720.00	10151.00	11571.00	11794.00	10970.00	10896.00	13358.00	12374.00	11844.00	10755.00
1,2-Dibromoethane	17076.00	17784.00	1.00	1.00	13427.00	11562.00	1.00	15060.00	11387.00	12476.00	16123.00	14140.00	15992.00	14254.00	14158.00	15928.00	17149.00	13575.00	16107.00	12585.00	11859.00	12718.00	13662.00	11172.00	11813.00	13175.00	11876.00	12752.00	11109.00	1.00	13947.00	10569.00	12702.00	10738.00	11167.00	13263.00	15588.00	15798.00	15182.00	15027.00	14131.00	12373.00	11086.00	14159.00	12163.00	13841.00	11873.00	15472.00	14510.00	11677.00	13358.00	14170.00	11919.00	12943.00
3-Oxo-OPC6-CoA	1.00	1.00	12089.00	11693.00	12451.00	12982.00	11686.00	12137.00	1.00	8665.00	1.00	1.00	12463.00	9448.00	1.00	1.00	1.00	1.00	11685.00	9420.00	9846.00	11708.00	1.00	1.00	1.00	1.00	11124.00	12197.00	11205.00	10467.00	11248.00	10231.00	9259.00	9393.00	10534.00	11542.00	1.00	1.00	12344.00	9985.00	12624.00	10389.00	11797.00	11385.00	1.00	1.00	9045.00	10724.00	10437.00	10815.00	8584.00	8781.00	13045.00	12333.00
C23 H53 N25 O	1.00	1.00	9196.00	11104.00	8662.00	9246.00	8799.00	8772.00	1.00	8582.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10381.00	9890.00	9852.00	1.00	1.00	1.00	1.00	1.00	8798.00	10150.00	9311.00	9236.00	9182.00	10216.00	8754.00	1.00	8412.00	1.00	1.00	1.00	9284.00	9172.00	8601.00	8782.00	11072.00	8785.00	1.00	1.00	1.00	10020.00	8776.00	8494.00	1.00	1.00	8764.00	9591.00
N-Formyl-L-aspartate	47124.00	44524.00	9604.00	13386.00	14653.00	13528.00	23308.00	23300.00	33910.00	34934.00	42072.00	39582.00	30821.00	30917.00	40702.00	41918.00	42357.00	42173.00	24669.00	22528.00	28307.00	27739.00	43809.00	45574.00	45245.00	41645.00	23261.00	24557.00	28307.00	23254.00	30347.00	27833.00	21700.00	22210.00	31803.00	31493.00	44698.00	44005.00	30062.00	28613.00	31580.00	29132.00	29766.00	28030.00	43938.00	46867.00	34582.00	31643.00	33884.00	34735.00	43325.00	45823.00	25918.00	27292.00
C41 H73 N5 O16	8565.00	10541.00	1.00	1.00	1.00	1.00	1.00	8816.00	9750.00	1.00	9647.00	1.00	1.00	10162.00	1.00	13278.00	12531.00	12178.00	9298.00	11669.00	1.00	10382.00	10529.00	11870.00	9987.00	9570.00	1.00	1.00	1.00	9475.00	10385.00	1.00	10185.00	9522.00	11641.00	1.00	11087.00	11337.00	10130.00	10031.00	9588.00	9456.00	9767.00	1.00	9306.00	12214.00	1.00	1.00	10018.00	9985.00	9595.00	10966.00	9736.00	1.00
C52 H31 N21 O3	1.00	1.00	11968.00	12741.00	10933.00	12269.00	13599.00	13562.00	1.00	9970.00	10926.00	1.00	11521.00	11349.00	8807.00	10624.00	10277.00	8695.00	9766.00	11715.00	9796.00	12577.00	1.00	1.00	8909.00	1.00	13200.00	10568.00	12373.00	13037.00	12775.00	13710.00	11411.00	8822.00	12252.00	10902.00	8708.00	1.00	11858.00	12205.00	10016.00	12292.00	10751.00	11441.00	1.00	9008.00	11174.00	10035.00	10713.00	10939.00	8600.00	1.00	11407.00	11041.00
C10 H24 Cl N4 O3	1.00	1.00	78580.00	63195.00	75743.00	1.00	83235.00	79782.00	1.00	74059.00	1.00	1.00	69879.00	60352.00	54047.00	54229.00	81063.00	82004.00	55970.00	1.00	87989.00	77663.00	1.00	1.00	103429.00	96361.00	92255.00	82140.00	74950.00	89913.00	56401.00	95970.00	66482.00	1.00	79748.00	64672.00	1.00	1.00	105045.00	72228.00	62115.00	66340.00	71526.00	80479.00	74175.00	55088.00	1.00	1.00	1.00	1.00	79554.00	64833.00	64694.00	59173.00
C29 H28 N3 O16 Esi-11.449002	49885.00	51345.00	1.00	1.00	1.00	1.00	1.00	1.00	27956.00	28951.00	36024.00	37799.00	1.00	1.00	54212.00	57489.00	48073.00	47354.00	28355.00	28316.00	41850.00	35960.00	53125.00	54008.00	64205.00	66532.00	43769.00	39787.00	52890.00	47983.00	43502.00	42885.00	1.00	1.00	1.00	18206.00	50803.00	49804.00	71701.00	70543.00	67565.00	62815.00	74026.00	71542.00	30437.00	28990.00	17990.00	1.00	21969.00	21340.00	39198.00	37155.00	55613.00	50477.00
C28 H43 N28 O5	1.00	1.00	16065.00	14804.00	12256.00	12682.00	12429.00	14392.00	10155.00	9068.00	1.00	1.00	12328.00	10541.00	1.00	1.00	8331.00	8515.00	11426.00	13521.00	9841.00	11100.00	1.00	1.00	1.00	1.00	10499.00	13396.00	12520.00	12307.00	13361.00	10528.00	12555.00	11823.00	11594.00	12393.00	1.00	8319.00	12488.00	13254.00	12160.00	12793.00	11198.00	11455.00	1.00	1.00	11784.00	11701.00	12733.00	9241.00	1.00	1.00	15320.00	14144.00
C16 H26 N11 O9	41466.00	41978.00	1.00	1.00	1.00	1.00	1.00	1.00	26493.00	26007.00	33498.00	32363.00	1.00	1.00	48796.00	47427.00	43976.00	44476.00	26785.00	25482.00	41383.00	31824.00	43559.00	42901.00	56410.00	53738.00	42063.00	32895.00	55393.00	53097.00	37323.00	41952.00	1.00	1.00	1.00	1.00	39277.00	42043.00	65057.00	61240.00	58741.00	57180.00	69608.00	60341.00	24783.00	25272.00	1.00	1.00	20988.00	1.00	32694.00	32395.00	53678.00	43059.00
C30 H61 N29 O2	16090.00	19547.00	12094.00	12809.00	12733.00	12961.00	13565.00	13080.00	11929.00	14556.00	16264.00	16672.00	15802.00	16381.00	16320.00	19021.00	17704.00	18502.00	11474.00	11884.00	14250.00	11536.00	15263.00	15124.00	18403.00	18522.00	12147.00	13072.00	12231.00	13069.00	13430.00	13853.00	14548.00	10845.00	14815.00	13709.00	17267.00	17352.00	12694.00	12042.00	12491.00	12570.00	14274.00	14159.00	16962.00	17068.00	13098.00	12178.00	15767.00	16097.00	17297.00	15349.00	10757.00	10785.00
C36 H14 N12 O2	1.00	9452.00	10252.00	9122.00	10173.00	11284.00	10066.00	1.00	10065.00	11238.00	9960.00	1.00	11031.00	10072.00	9857.00	9677.00	12084.00	9916.00	11597.00	10504.00	1.00	9785.00	9992.00	8877.00	9885.00	10234.00	10433.00	9914.00	1.00	1.00	11730.00	11383.00	10585.00	9837.00	9808.00	11284.00	10747.00	10576.00	9633.00	10774.00	12955.00	1.00	11916.00	10663.00	9573.00	9530.00	10191.00	9994.00	9997.00	9794.00	10212.00	11335.00	1.00	11175.00
C5 H2 O6 S	1.00	1.00	11525.00	1.00	11365.00	9934.00	10968.00	12591.00	9685.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10442.00	10769.00	1.00	1.00	1.00	1.00	1.00	10233.00	1.00	1.00	1.00	1.00	1.00	10794.00	9200.00	9195.00	10681.00	1.00	1.00	10052.00	1.00	1.00	1.00	1.00	1.00	1.00	10058.00	9979.00	10531.00	1.00	11484.00	9074.00	1.00	9275.00	1.00
C10 H9 N2 S	10218.00	12349.00	12441.00	12126.00	12269.00	13209.00	18785.00	24466.00	20137.00	23124.00	11441.00	10573.00	9480.00	9745.00	29352.00	29795.00	31406.00	14895.00	16730.00	18432.00	24210.00	21367.00	16632.00	17050.00	29237.00	22742.00	26572.00	24412.00	17163.00	16565.00	23015.00	18421.00	19359.00	19051.00	22896.00	27758.00	22576.00	12190.00	25740.00	25085.00	24135.00	20935.00	22840.00	17759.00	27001.00	17025.00	32318.00	21342.00	26928.00	28058.00	30084.00	34701.00	19386.00	21003.00
15-hydroxy stearic acid Esi-12.020003	30312.00	26662.00	35048.00	35097.00	34722.00	36033.00	35576.00	56746.00	17078.00	35136.00	32701.00	32651.00	34285.00	49016.00	30171.00	48421.00	33539.00	33865.00	37570.00	35517.00	33126.00	34691.00	33456.00	32348.00	33439.00	33997.00	40341.00	33201.00	57878.00	71344.00	36094.00	42668.00	41170.00	34059.00	30569.00	36672.00	32970.00	34348.00	41056.00	36536.00	40606.00	36363.00	36566.00	33115.00	34234.00	33861.00	33279.00	33182.00	33057.00	30113.00	45736.00	33363.00	53117.00	35458.00
C43 H71 N7 O	9123.00	8604.00	11578.00	8890.00	13802.00	11905.00	13591.00	13903.00	11036.00	9746.00	9811.00	11028.00	11814.00	13057.00	9687.00	14400.00	11787.00	11956.00	11187.00	12614.00	11238.00	11555.00	9799.00	12487.00	13086.00	10313.00	13832.00	9609.00	11742.00	10539.00	15287.00	9263.00	10044.00	10158.00	10229.00	12984.00	11110.00	10848.00	11366.00	13030.00	14202.00	11209.00	14939.00	13065.00	12723.00	13702.00	13466.00	13507.00	13642.00	12853.00	14579.00	16210.00	13671.00	12900.00
C39 H73 N12 O4	10491.00	9334.00	1.00	1.00	9128.00	9175.00	10302.00	1.00	8904.00	1.00	11384.00	9806.00	10290.00	9385.00	12465.00	11320.00	11308.00	11633.00	8832.00	9991.00	9773.00	10418.00	11040.00	11505.00	11268.00	10749.00	9721.00	1.00	1.00	9253.00	10145.00	10457.00	10675.00	9118.00	9474.00	10883.00	1.00	9166.00	9690.00	1.00	1.00	9641.00	9509.00	1.00	10253.00	1.00	1.00	10118.00	9010.00	1.00	9636.00	10947.00	1.00	1.00
Scarlet Red Esi-10.394001	41760.00	38008.00	42223.00	41865.00	44751.00	43636.00	45728.00	37662.00	39489.00	40595.00	42124.00	39208.00	39115.00	40574.00	38347.00	35866.00	36749.00	33080.00	42948.00	38696.00	37402.00	36594.00	38593.00	38623.00	35597.00	37417.00	36369.00	38072.00	38824.00	39734.00	35602.00	40925.00	36274.00	38409.00	40140.00	38178.00	36803.00	36086.00	36136.00	37353.00	35205.00	38614.00	37950.00	38743.00	36201.00	38651.00	39499.00	38248.00	38042.00	37216.00	36586.00	35281.00	35870.00	36733.00
Erythromycin D Esi-12.593997 :1	1.00	1.00	79208.00	45347.00	188609.00	137238.00	130394.00	387864.00	96795.00	108916.00	24665.00	34593.00	171784.00	73825.00	1.00	1.00	49883.00	36165.00	167027.00	102231.00	138627.00	42204.00	26202.00	23927.00	57778.00	38339.00	139242.00	66721.00	252586.00	443569.00	99787.00	250788.00	182127.00	68526.00	55763.00	167414.00	1.00	25264.00	110902.00	72878.00	69968.00	25339.00	73935.00	23008.00	1.00	1.00	20300.00	23616.00	53569.00	37556.00	104618.00	52434.00	280649.00	93432.00
C39 H77 N4	1.00	9381.00	1.00	9118.00	10249.00	10063.00	11206.00	11961.00	1.00	8967.00	9831.00	10836.00	9951.00	11145.00	9578.00	8796.00	10467.00	1.00	10351.00	10165.00	11514.00	11046.00	11506.00	9922.00	9715.00	10756.00	12014.00	9606.00	9123.00	9665.00	10467.00	11882.00	10613.00	9469.00	11758.00	9219.00	9586.00	10919.00	10685.00	11542.00	12508.00	10021.00	11651.00	10510.00	10993.00	11976.00	10918.00	10378.00	9767.00	11388.00	11403.00	10494.00	8981.00	11390.00
C10 H6 N O10 S	43269.00	44567.00	30293.00	29584.00	32334.00	30262.00	33416.00	34396.00	35805.00	32397.00	41470.00	40758.00	33943.00	32776.00	40001.00	42569.00	41177.00	42272.00	29522.00	31958.00	28945.00	33304.00	41266.00	43888.00	39904.00	42431.00	31443.00	30847.00	28349.00	29435.00	30516.00	33108.00	32685.00	31172.00	33462.00	33938.00	39784.00	39489.00	34198.00	30295.00	34543.00	34738.00	32543.00	31046.00	38303.00	38114.00	33079.00	34848.00	35017.00	33180.00	40575.00	38876.00	31070.00	31633.00
Pseudouridine Esi-1.2419997 :1	36370.00	37051.00	41153.00	39547.00	30907.00	31283.00	33140.00	34676.00	31165.00	30969.00	30248.00	28242.00	31190.00	30917.00	41189.00	40856.00	37437.00	38803.00	35276.00	35510.00	36498.00	34503.00	45119.00	44243.00	35566.00	35552.00	51400.00	49339.00	47470.00	40842.00	43570.00	44095.00	33160.00	31847.00	28777.00	31087.00	37494.00	36218.00	39081.00	38789.00	43031.00	44429.00	50316.00	46642.00	42603.00	46843.00	45339.00	45402.00	37144.00	37557.00	41028.00	42544.00	36914.00	34168.00
PS(O-20:0/16:0)	10945.00	10281.00	10143.00	10192.00	9471.00	10516.00	10069.00	10374.00	9234.00	10321.00	11722.00	11149.00	11100.00	12227.00	12337.00	10488.00	9975.00	13357.00	8919.00	9609.00	1.00	11689.00	11584.00	11345.00	12117.00	11692.00	10022.00	10154.00	10145.00	10911.00	10497.00	12093.00	9476.00	10659.00	11095.00	10255.00	10148.00	10428.00	11092.00	10790.00	12084.00	11774.00	9009.00	9796.00	12161.00	12185.00	11406.00	10164.00	11210.00	9590.00	12686.00	12701.00	10930.00	11741.00
C15 H22 N2 O5 Esi-12.177001	72040.00	57477.00	41022.00	40135.00	35715.00	56047.00	44165.00	27783.00	38062.00	56571.00	38502.00	50939.00	42526.00	64403.00	47877.00	55760.00	42153.00	50533.00	44289.00	53590.00	44571.00	34179.00	53091.00	51858.00	58700.00	49487.00	51676.00	52253.00	47278.00	44812.00	34104.00	56490.00	39111.00	47880.00	50088.00	45063.00	74437.00	43561.00	45149.00	58655.00	39806.00	53933.00	46564.00	40385.00	42395.00	61546.00	37063.00	73392.00	53564.00	68807.00	62433.00	46229.00	43844.00	63269.00
C12 H20 N13 O S	4039.00	3467.00	4846.00	1.00	5645.00	5349.00	4602.00	3270.00	8380.00	8524.00	8199.00	7801.00	6704.00	6793.00	1.00	1.00	3088.00	1.00	4173.00	3512.00	5015.00	4377.00	1.00	1.00	7809.00	7571.00	3989.00	5046.00	12941.00	12044.00	8097.00	8188.00	9219.00	8994.00	6379.00	6444.00	8603.00	9571.00	6443.00	10005.00	9646.00	9956.00	9492.00	7233.00	11353.00	8935.00	6510.00	6837.00	9077.00	9903.00	4586.00	6270.00	9863.00	10499.00
C48 H86 O S2	10442.00	15230.00	9969.00	13317.00	15188.00	13082.00	12475.00	13064.00	12554.00	13467.00	14443.00	15031.00	13633.00	15186.00	18214.00	16596.00	14970.00	15362.00	12250.00	13829.00	16381.00	12204.00	16385.00	15643.00	17488.00	16124.00	14215.00	12176.00	13957.00	13935.00	15738.00	16461.00	13121.00	12542.00	15298.00	16474.00	14780.00	17375.00	14497.00	13392.00	15916.00	14651.00	13819.00	12390.00	16995.00	18083.00	15903.00	15792.00	14473.00	13251.00	17592.00	16064.00	14360.00	15712.00
12R,13S-epoxy-9S-hydroxy-10E-octadecenoic acid Esi-11.321999	26525.00	26959.00	262345.00	229619.00	1.00	1.00	193657.00	1.00	15442.00	17743.00	19496.00	21448.00	1.00	261161.00	31258.00	30491.00	867482.00	1.00	1.00	1.00	24243.00	1.00	25197.00	28921.00	35776.00	34640.00	26012.00	20500.00	31721.00	32780.00	23546.00	22647.00	219567.00	175423.00	14281.00	275374.00	25246.00	22383.00	40780.00	43707.00	36732.00	35536.00	42119.00	42289.00	18848.00	1.00	1.00	231384.00	326328.00	308607.00	20355.00	20389.00	33952.00	26441.00
C13 H Cl3 O13 S5	15128.00	14836.00	12524.00	11970.00	12242.00	12118.00	13654.00	13275.00	12838.00	12124.00	15275.00	15933.00	13316.00	13460.00	14872.00	16312.00	14921.00	14834.00	11953.00	13285.00	12926.00	13340.00	15398.00	15375.00	15047.00	13517.00	11313.00	12641.00	11486.00	11808.00	14163.00	13233.00	12403.00	14276.00	14872.00	14333.00	15446.00	16123.00	12707.00	13101.00	14541.00	14925.00	13567.00	12775.00	14299.00	1.00	14451.00	13844.00	15045.00	14864.00	16867.00	16283.00	11764.00	12168.00
Protoveratrine B Esi-0.84199953	1.00	1.00	1.00	13192.00	12508.00	9083.00	1.00	1.00	10715.00	1.00	10820.00	10222.00	12169.00	12330.00	9832.00	9832.00	9242.00	10282.00	1.00	12119.00	1.00	10499.00	9350.00	10233.00	9538.00	9853.00	9920.00	1.00	10797.00	12719.00	1.00	12430.00	1.00	11298.00	13160.00	1.00	9772.00	9923.00	9139.00	1.00	1.00	12389.00	1.00	1.00	9688.00	9924.00	10167.00	12084.00	10556.00	1.00	10479.00	10052.00	1.00	1.00
Orthothymotinic Acid Esi-8.777004 :2	359245.00	351093.00	357538.00	357285.00	368289.00	366485.00	340307.00	330284.00	341887.00	354389.00	352425.00	350235.00	324827.00	329226.00	326673.00	332403.00	320488.00	316750.00	327769.00	325437.00	311277.00	340794.00	346667.00	342200.00	330006.00	333938.00	323251.00	342379.00	27923.00	342074.00	345931.00	347336.00	356382.00	360697.00	337600.00	361849.00	347220.00	338485.00	349200.00	321572.00	318351.00	341598.00	318271.00	338690.00	331638.00	345242.00	340246.00	354754.00	347163.00	352720.00	345218.00	347603.00	342602.00	351201.00
C17 H28 N2 O6 Esi-8.7109995	12723.00	13416.00	14506.00	14937.00	14127.00	13421.00	15748.00	13331.00	14125.00	13829.00	15842.00	15403.00	12718.00	14218.00	14828.00	15481.00	13638.00	14797.00	14503.00	15528.00	16209.00	13744.00	14488.00	14946.00	14223.00	13464.00	14746.00	13245.00	12656.00	14720.00	14215.00	13647.00	16013.00	15192.00	14039.00	14904.00	14983.00	14780.00	13981.00	14562.00	14552.00	14026.00	13947.00	14424.00	13976.00	14197.00	13007.00	12598.00	14493.00	12713.00	15602.00	13310.00	14138.00	15180.00
C32 H37 N27 O7	1.00	1.00	12258.00	15701.00	11685.00	13739.00	14110.00	14904.00	9233.00	10435.00	8552.00	8342.00	14038.00	10469.00	1.00	1.00	9147.00	9404.00	12772.00	14976.00	13966.00	11652.00	1.00	1.00	1.00	1.00	12252.00	11994.00	11214.00	14929.00	13601.00	12563.00	12739.00	11537.00	14312.00	11325.00	1.00	8777.00	13410.00	11321.00	14224.00	12170.00	13211.00	13256.00	9947.00	1.00	11700.00	13131.00	11824.00	13000.00	9652.00	9129.00	12787.00	14144.00
PS(13:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	1.00	1.00	11988.00	11785.00	11406.00	11418.00	10721.00	10339.00	9300.00	1.00	1.00	1.00	9874.00	11325.00	1.00	1.00	1.00	1.00	10407.00	12096.00	11204.00	11712.00	1.00	1.00	1.00	1.00	11272.00	11073.00	10748.00	11997.00	10998.00	10850.00	10152.00	10553.00	10866.00	12337.00	1.00	1.00	11739.00	10476.00	11920.00	11022.00	11319.00	11991.00	1.00	1.00	10972.00	9204.00	9078.00	10074.00	1.00	8781.00	12248.00	12115.00
Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate Esi-8.642	22080.00	27014.00	35729.00	29842.00	30668.00	21989.00	34828.00	24347.00	36420.00	41274.00	29857.00	26676.00	19099.00	17432.00	43031.00	33483.00	20298.00	20794.00	32796.00	20376.00	20946.00	18635.00	25598.00	28429.00	21439.00	28302.00	31287.00	26175.00	37300.00	16829.00	18587.00	21497.00	19074.00	32769.00	19817.00	28615.00	20324.00	29672.00	39456.00	18898.00	20487.00	20743.00	24761.00	19911.00	28827.00	26227.00	29494.00	28835.00	35967.00	24505.00	21481.00	20544.00	18849.00	32236.00
C44 H71 O	1.00	1.00	10882.00	11819.00	11606.00	9450.00	12888.00	12618.00	10703.00	1.00	1.00	1.00	11661.00	12948.00	9063.00	9154.00	12876.00	1.00	13485.00	10275.00	10874.00	10664.00	1.00	1.00	1.00	1.00	12501.00	12665.00	13384.00	10158.00	10476.00	12285.00	11177.00	9391.00	13643.00	14058.00	1.00	1.00	12875.00	9884.00	15048.00	10999.00	15531.00	13664.00	1.00	1.00	11989.00	11643.00	1.00	8524.00	1.00	1.00	13614.00	11551.00
C20 H2 N2 O18 S Esi-0.8400001 :1	30245.00	29579.00	15141.00	15202.00	15579.00	16757.00	15501.00	18705.00	17762.00	17217.00	26302.00	23971.00	17183.00	17370.00	25837.00	26623.00	25220.00	26215.00	17955.00	18845.00	19883.00	18520.00	29054.00	30875.00	26095.00	27715.00	16523.00	16072.00	14836.00	14357.00	17570.00	16103.00	19515.00	17991.00	20284.00	18583.00	26092.00	26182.00	16629.00	16410.00	19822.00	20915.00	17807.00	15503.00	25699.00	26170.00	17197.00	19494.00	19182.00	18207.00	26550.00	25158.00	16993.00	14783.00
C36 H59 O30	1.00	1.00	11908.00	10455.00	10826.00	9733.00	11723.00	11468.00	1.00	1.00	1.00	1.00	9393.00	9680.00	1.00	1.00	1.00	1.00	10227.00	9590.00	10062.00	9223.00	1.00	1.00	1.00	1.00	11653.00	12433.00	11004.00	10690.00	10065.00	10960.00	10621.00	10641.00	9832.00	11119.00	1.00	1.00	9932.00	11709.00	9819.00	10553.00	11071.00	10366.00	1.00	1.00	1.00	8166.00	9860.00	1.00	1.00	1.00	10446.00	10739.00
C31 H66 Cl N8 O7	1.00	1.00	17621.00	14518.00	14784.00	14264.00	16124.00	15049.00	12009.00	12600.00	9314.00	9630.00	14048.00	13688.00	10698.00	10399.00	8816.00	1.00	17006.00	17288.00	13954.00	11466.00	9720.00	9463.00	1.00	1.00	16007.00	11532.00	15918.00	14197.00	13311.00	13572.00	11351.00	11273.00	13361.00	12484.00	8932.00	10113.00	12846.00	16123.00	12375.00	16180.00	15376.00	15389.00	10639.00	9974.00	13846.00	11256.00	10415.00	13028.00	11746.00	10751.00	15085.00	15479.00
15-hydroxy stearic acid Esi-12.018003	31555.00	32156.00	34086.00	35040.00	34691.00	35470.00	35074.00	1.00	27228.00	1.00	32652.00	31184.00	34051.00	32889.00	1.00	1.00	33077.00	33637.00	37987.00	30228.00	39677.00	34628.00	32978.00	32348.00	33080.00	33345.00	42058.00	32950.00	61876.00	70911.00	36094.00	42250.00	40933.00	34059.00	1.00	36434.00	32492.00	34237.00	38247.00	35009.00	39086.00	36012.00	36975.00	32502.00	33286.00	31640.00	33227.00	32718.00	32758.00	30113.00	1.00	29771.00	52842.00	34590.00
C27 H51 N25 O Esi-0.8440006	1.00	1.00	13528.00	13887.00	12902.00	12410.00	12632.00	14526.00	13411.00	10115.00	10157.00	12075.00	11741.00	13971.00	11512.00	10976.00	10672.00	10509.00	11059.00	11463.00	10524.00	14134.00	10176.00	9742.00	10403.00	12714.00	12572.00	11148.00	13771.00	12427.00	14483.00	12679.00	13185.00	14095.00	10779.00	13149.00	11363.00	12536.00	12520.00	13022.00	13645.00	15274.00	15202.00	13524.00	11983.00	11925.00	12913.00	13291.00	12894.00	11617.00	12293.00	12543.00	14088.00	14577.00
C39 H83 N2 O2	11374.00	9961.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	8901.00	9768.00	12509.00	9159.00	9589.00	12054.00	8863.00	8636.00	10965.00	1.00	1.00	9511.00	9846.00	9525.00	10704.00	9763.00	9608.00	1.00	1.00	9231.00	8921.00	1.00	8815.00	1.00	1.00	8771.00	10724.00	10017.00	10212.00	9030.00	9601.00	10544.00	1.00	1.00	1.00	10722.00	14173.00	9506.00	12278.00	9291.00	10533.00	10865.00	12825.00	9466.00	1.00
C7 H13 Cl O S5 Esi-13.447999	60427.00	55786.00	124453.00	152759.00	47347.00	1.00	131155.00	1.00	34438.00	27642.00	248073.00	27462.00	204699.00	59978.00	59438.00	1.00	1.00	378231.00	85588.00	42618.00	128764.00	166144.00	35649.00	1.00	41357.00	142338.00	40739.00	1.00	53327.00	29401.00	33869.00	15970.00	49869.00	1.00	141549.00	22448.00	57991.00	31100.00	42900.00	68015.00	89983.00	121414.00	48438.00	59042.00	51282.00	30178.00	340375.00	155535.00	45318.00	104558.00	63094.00	85702.00	30801.00	177143.00
4-Hydroxyethinylestradiol Esi-10.255003	52939.00	57494.00	58852.00	60077.00	63101.00	1.00	26053.00	58150.00	1.00	1.00	61845.00	63727.00	59261.00	55120.00	31734.00	57140.00	25686.00	55035.00	53105.00	68989.00	57730.00	28009.00	60031.00	58085.00	58088.00	64984.00	13682.00	51016.00	29307.00	66623.00	32869.00	28109.00	58933.00	57314.00	64075.00	11610.00	1.00	56035.00	64601.00	60708.00	27935.00	64605.00	24492.00	38128.00	36933.00	53946.00	56926.00	26887.00	60150.00	1.00	61838.00	67441.00	60430.00	1.00
C38 H51 N23 O	1.00	1.00	9761.00	1.00	10356.00	1.00	9011.00	10116.00	1.00	1.00	9962.00	1.00	9990.00	9577.00	1.00	1.00	9373.00	9908.00	8716.00	12211.00	10977.00	1.00	11592.00	11634.00	1.00	1.00	9395.00	10964.00	9552.00	1.00	11581.00	9453.00	1.00	10360.00	1.00	11611.00	11381.00	9547.00	8812.00	9671.00	10895.00	10368.00	1.00	1.00	10877.00	9523.00	10761.00	11411.00	8917.00	1.00	9996.00	8761.00	1.00	1.00
C40 H79 Cl2 N S2 Esi-0.8429997	1.00	1.00	19880.00	16977.00	18155.00	14829.00	17183.00	17691.00	12034.00	13495.00	9664.00	9517.00	16985.00	14284.00	12000.00	12295.00	10175.00	10014.00	16832.00	18402.00	17364.00	13150.00	9957.00	10418.00	1.00	9687.00	19442.00	14036.00	18183.00	16334.00	12529.00	15637.00	12614.00	13310.00	15889.00	14717.00	10763.00	11316.00	14392.00	17967.00	14539.00	18759.00	17162.00	16603.00	11337.00	9555.00	16699.00	14425.00	11256.00	12909.00	11943.00	11937.00	15882.00	18213.00
C46 H81 N O2	9584.00	8744.00	1.00	10179.00	1.00	9965.00	1.00	10322.00	9399.00	9526.00	9816.00	10597.00	1.00	9055.00	10466.00	9263.00	10497.00	1.00	9926.00	1.00	9835.00	9584.00	8931.00	10918.00	10318.00	9257.00	1.00	9337.00	1.00	1.00	9311.00	9223.00	9238.00	9608.00	9791.00	11175.00	10374.00	11803.00	10516.00	9168.00	9214.00	10331.00	10292.00	10613.00	9211.00	9379.00	10390.00	11171.00	8937.00	10255.00	10967.00	10724.00	9476.00	10513.00
C38 H73 N5 O S	1.00	1.00	13055.00	13149.00	12847.00	10877.00	14070.00	15211.00	1.00	10275.00	1.00	9389.00	11535.00	12403.00	10990.00	1.00	8182.00	10447.00	10004.00	13901.00	12805.00	11286.00	1.00	9921.00	10484.00	10012.00	13264.00	14124.00	11837.00	12016.00	11639.00	14706.00	13125.00	11035.00	12427.00	12835.00	9487.00	11423.00	12223.00	12664.00	12289.00	12402.00	15826.00	13117.00	11688.00	8841.00	11161.00	12637.00	13537.00	11604.00	10009.00	11297.00	12890.00	13051.00
Patuletin 3,3'-di-O-sulfate Esi-8.289999	1.00	1.00	1.00	1.00	1.00	10524.00	1.00	1.00	1.00	9866.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10885.00	1.00	1.00	10280.00	12365.00	1.00	11680.00	1.00	10500.00	10720.00	1.00	10173.00	11059.00	1.00	10424.00	10309.00	10432.00	1.00	10606.00	1.00	1.00	1.00	1.00	10755.00	1.00	1.00	9904.00
L-alpha-Aspartyl-L-hydroxyproline	7263.00	8810.00	8129.00	7713.00	6566.00	8522.00	9494.00	8584.00	6963.00	6929.00	7209.00	8041.00	8222.00	10084.00	10388.00	9347.00	11799.00	10881.00	7831.00	10023.00	8730.00	8273.00	8859.00	8123.00	9549.00	8859.00	9403.00	8908.00	11882.00	9311.00	8015.00	10962.00	8196.00	9095.00	6811.00	7930.00	9599.00	11164.00	9624.00	10221.00	10357.00	9317.00	10918.00	8396.00	10152.00	9040.00	7746.00	9965.00	8272.00	6228.00	8363.00	9407.00	8538.00	9521.00
D-Fructuronic acid	13267.00	11486.00	8924.00	8157.00	9599.00	10937.00	10217.00	8967.00	7707.00	9783.00	12715.00	12068.00	11936.00	11323.00	11382.00	11969.00	13531.00	14989.00	14164.00	12830.00	10327.00	10424.00	12754.00	10844.00	11167.00	10557.00	9269.00	10436.00	10860.00	11305.00	11753.00	12884.00	8693.00	8386.00	10126.00	9307.00	9218.00	9358.00	10564.00	9455.00	13810.00	9985.00	10477.00	10344.00	12853.00	13581.00	11612.00	12537.00	11084.00	12255.00	12427.00	11539.00	9370.00	10512.00
C24 H41 N24	1.00	1.00	1.00	1.00	58732.00	1.00	1.00	156892.00	36066.00	56817.00	1.00	12085.00	47823.00	34099.00	1.00	1.00	1.00	1.00	55918.00	1.00	105807.00	1.00	11558.00	11632.00	1.00	1.00	1.00	1.00	182452.00	1.00	44369.00	93606.00	1.00	21865.00	25113.00	1.00	1.00	1.00	73791.00	42084.00	50342.00	1.00	65236.00	26749.00	1.00	1.00	16734.00	17594.00	23185.00	18306.00	35648.00	19497.00	121437.00	1.00
C44 H55 N3 O18	1.00	1.00	12108.00	11279.00	10487.00	10652.00	11558.00	10680.00	1.00	1.00	1.00	1.00	8489.00	9436.00	1.00	1.00	1.00	1.00	11494.00	10558.00	8615.00	10018.00	1.00	1.00	1.00	1.00	10137.00	10232.00	10586.00	10478.00	10264.00	11405.00	10536.00	10078.00	1.00	8693.00	1.00	1.00	10962.00	11058.00	10119.00	9954.00	11670.00	10064.00	1.00	1.00	8655.00	10067.00	8910.00	9698.00	1.00	1.00	12458.00	11396.00
Propanethial S-oxide Esi-0.93000025	105186.00	111097.00	23084.00	28667.00	43648.00	37748.00	49411.00	49285.00	55366.00	76948.00	88686.00	86782.00	71604.00	67985.00	107617.00	108055.00	92758.00	99757.00	54567.00	62029.00	62797.00	64516.00	115613.00	103849.00	103763.00	99998.00	54649.00	49090.00	54196.00	56538.00	65063.00	56884.00	56061.00	47111.00	69213.00	64379.00	91761.00	97191.00	47293.00	50024.00	77444.00	59955.00	51731.00	59893.00	108506.00	98027.00	44648.00	65567.00	69454.00	75378.00	99824.00	103600.00	58058.00	55237.00
2-oxo-octadecanoic acid Esi-12.260992	20287.00	28280.00	52655.00	33755.00	10599.00	23421.00	11298.00	22847.00	13290.00	21326.00	30406.00	1.00	11785.00	12026.00	22954.00	12129.00	13518.00	22214.00	19723.00	19987.00	41071.00	27344.00	12011.00	26929.00	18657.00	10839.00	28729.00	20355.00	52135.00	27923.00	30493.00	40689.00	15919.00	20122.00	37263.00	24245.00	11294.00	30663.00	34259.00	13263.00	23681.00	24126.00	28859.00	17739.00	23028.00	19878.00	18298.00	11051.00	28614.00	32301.00	1.00	19423.00	1.00	14539.00
C39 H65 N9 O2	1.00	9365.00	11408.00	11260.00	10535.00	11012.00	13188.00	14193.00	9117.00	12587.00	9338.00	9203.00	10630.00	10535.00	9601.00	11353.00	10456.00	9969.00	11663.00	12095.00	12669.00	13811.00	10649.00	8978.00	9383.00	13050.00	13282.00	10270.00	10981.00	11401.00	9723.00	12500.00	12930.00	11961.00	10790.00	13467.00	10304.00	9786.00	10396.00	10829.00	10168.00	12400.00	12401.00	12954.00	9841.00	10136.00	9714.00	12260.00	9951.00	12320.00	11754.00	10156.00	11383.00	9387.00
C4 H6 O4	5259.00	4895.00	9050.00	7003.00	11197.00	10449.00	9695.00	8876.00	8356.00	8769.00	5425.00	5158.00	8907.00	7023.00	4580.00	4180.00	6035.00	4848.00	11141.00	8537.00	11660.00	8909.00	5158.00	4666.00	9667.00	6525.00	13064.00	8464.00	8675.00	10577.00	7620.00	8001.00	9135.00	10110.00	7808.00	8868.00	4910.00	5654.00	11285.00	6257.00	7601.00	4963.00	10127.00	8136.00	5999.00	6908.00	8526.00	8453.00	8838.00	7157.00	6738.00	8262.00	8834.00	8644.00
L-Histidine Esi-0.85400003	217596.00	226266.00	318602.00	310423.00	273498.00	284289.00	298951.00	291565.00	322138.00	311815.00	14856.00	12174.00	12924.00	12216.00	254613.00	261093.00	246793.00	251025.00	333318.00	340139.00	293259.00	305310.00	261145.00	251920.00	239389.00	243105.00	12323.00	13209.00	337159.00	339201.00	291881.00	286319.00	282984.00	295573.00	276969.00	293032.00	256812.00	267945.00	325569.00	332053.00	13062.00	326510.00	309407.00	301136.00	283241.00	279059.00	274560.00	290534.00	287923.00	303504.00	245196.00	245183.00	327454.00	319944.00
Asn His Lys Esi-11.438	19853.00	19696.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	22122.00	21705.00	21496.00	21063.00	1.00	1.00	18222.00	1.00	20379.00	20443.00	29747.00	28442.00	20367.00	16532.00	28943.00	26706.00	1.00	19570.00	1.00	1.00	1.00	1.00	20766.00	19219.00	37792.00	38053.00	31633.00	29934.00	39025.00	32521.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	29513.00	22342.00
C6 H4 N O2 S3 Esi-13.22955	61784.00	26748.00	1.00	1.00	83054.00	64444.00	45378.00	1.00	1.00	1.00	75537.00	1.00	1.00	66686.00	1.00	1.00	69142.00	86176.00	56438.00	24698.00	31837.00	35268.00	49457.00	26754.00	61247.00	1.00	65102.00	122421.00	47836.00	34611.00	58631.00	54388.00	53449.00	40897.00	1.00	49024.00	1.00	56014.00	39775.00	1.00	64261.00	75668.00	68412.00	237006.00	1.00	1.00	339199.00	1.00	56183.00	1.00	57838.00	65836.00	1.00	17231.00
C16 H3 N O2	9729.00	9634.00	6520.00	7204.00	8081.00	9096.00	6990.00	6520.00	8790.00	9824.00	9823.00	9941.00	7933.00	7275.00	7540.00	7619.00	9843.00	10758.00	5772.00	7075.00	8439.00	7071.00	9231.00	7237.00	10071.00	9689.00	6516.00	8179.00	8311.00	9166.00	6894.00	8330.00	9288.00	7407.00	8244.00	9528.00	8825.00	7868.00	7584.00	9717.00	8635.00	7728.00	6177.00	6439.00	6899.00	8340.00	5814.00	8553.00	7960.00	7412.00	8562.00	8413.00	7177.00	7658.00
C36 H41 N25 O2	1.00	1.00	10927.00	9513.00	10150.00	9894.00	9821.00	10186.00	1.00	1.00	1.00	1.00	9642.00	8357.00	1.00	1.00	1.00	1.00	9207.00	9805.00	10100.00	9180.00	1.00	1.00	1.00	1.00	10207.00	10679.00	11094.00	9524.00	9229.00	9355.00	9180.00	9333.00	9735.00	8468.00	1.00	1.00	10329.00	10518.00	8714.00	9507.00	10921.00	9170.00	1.00	1.00	9142.00	1.00	1.00	1.00	1.00	1.00	11104.00	10039.00
2(R)-HPOT Esi-10.922998	67637.00	65910.00	23456.00	26055.00	1.00	1.00	14239.00	17945.00	38672.00	38999.00	52494.00	56186.00	21017.00	17106.00	84426.00	78472.00	64003.00	54245.00	34903.00	18631.00	58450.00	59528.00	74480.00	72953.00	76683.00	83497.00	42268.00	61566.00	28177.00	27125.00	70920.00	22739.00	15054.00	24117.00	24004.00	24238.00	71834.00	77295.00	31815.00	31158.00	103148.00	84404.00	13811.00	99612.00	58553.00	38480.00	23238.00	19604.00	30184.00	29027.00	44566.00	62982.00	19790.00	14993.00
C21 H38 N7 O3 Esi-12.377996	1.00	1.00	21600.00	12448.00	21938.00	13607.00	23831.00	117504.00	12911.00	17637.00	1.00	1.00	34739.00	16642.00	13920.00	12704.00	20052.00	20144.00	35528.00	15454.00	75641.00	15412.00	1.00	1.00	12927.00	1.00	37716.00	13981.00	95452.00	111828.00	20853.00	50541.00	30819.00	8819.00	10649.00	21465.00	8830.00	9776.00	31784.00	18149.00	15099.00	1.00	27095.00	10386.00	1.00	1.00	1.00	1.00	1.00	1.00	14892.00	11501.00	68278.00	14821.00
Triamcinolone Esi-10.947999 :1	34648.00	32582.00	38442.00	34469.00	34063.00	38883.00	39110.00	35822.00	37660.00	37233.00	42192.00	35748.00	34818.00	34762.00	35827.00	34947.00	33164.00	36403.00	39379.00	33846.00	33409.00	37511.00	36133.00	23815.00	30678.00	34155.00	35004.00	31490.00	34592.00	32799.00	33214.00	31171.00	35590.00	34135.00	35297.00	31651.00	32446.00	35471.00	35227.00	33900.00	34642.00	32922.00	35395.00	35772.00	36459.00	38964.00	34799.00	31446.00	31357.00	32295.00	34980.00	32711.00	31646.00	33170.00
5-Methylcytidine Esi-0.8689997	5487.00	5713.00	9634.00	9073.00	6482.00	5668.00	7265.00	6226.00	8945.00	8695.00	7722.00	8590.00	7101.00	7658.00	3449.00	3555.00	7174.00	6748.00	7675.00	5393.00	7222.00	8385.00	5922.00	6295.00	6964.00	5845.00	6543.00	8180.00	9661.00	10645.00	7223.00	6630.00	7059.00	7625.00	7377.00	8655.00	5063.00	5640.00	8235.00	7493.00	6994.00	8168.00	7122.00	6331.00	6856.00	6289.00	9054.00	8689.00	7105.00	8542.00	6999.00	5595.00	7748.00	7346.00
C38 H71 N5 O3	4983.00	4711.00	9345.00	7685.00	7414.00	9169.00	7307.00	10566.00	6808.00	6852.00	6242.00	6829.00	9073.00	7677.00	7706.00	6693.00	5836.00	4460.00	7467.00	9159.00	8831.00	7297.00	7830.00	7442.00	5131.00	7872.00	7646.00	8779.00	6479.00	9546.00	9818.00	9476.00	9300.00	7709.00	5646.00	10177.00	7616.00	5499.00	7965.00	9304.00	7904.00	10288.00	7647.00	7609.00	7060.00	5103.00	7522.00	9043.00	10030.00	10364.00	8507.00	4907.00	10270.00	9880.00
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid Esi-8.378999 :3	183040.00	183253.00	79874.00	81333.00	92021.00	90698.00	68983.00	70896.00	95920.00	98274.00	138394.00	141429.00	105370.00	117360.00	262896.00	262789.00	159946.00	163809.00	198425.00	195415.00	160297.00	159390.00	187265.00	183772.00	216597.00	226384.00	171934.00	163001.00	179830.00	180706.00	262797.00	263154.00	74349.00	69320.00	135094.00	135776.00	227372.00	231559.00	338479.00	363671.00	236418.00	229528.00	299925.00	293312.00	273673.00	269819.00	84757.00	85884.00	156506.00	158588.00	211880.00	214169.00	290496.00	293442.00
C9 H8 N6 O2 S	147605.00	149037.00	1.00	1.00	1.00	1.00	1.00	1.00	28053.00	26734.00	103003.00	93554.00	21197.00	25268.00	115153.00	114540.00	102660.00	100429.00	1.00	1.00	1.00	1.00	153135.00	155542.00	118481.00	115547.00	1.00	1.00	1.00	1.00	15754.00	15634.00	1.00	1.00	21388.00	22973.00	95029.00	95195.00	14248.00	16193.00	19035.00	20460.00	16441.00	16117.00	112689.00	105234.00	18791.00	20724.00	28417.00	25712.00	101519.00	100724.00	1.00	1.00
C4 H6 Cl2 O S	257707.00	258462.00	212236.00	215026.00	219174.00	218557.00	229262.00	229569.00	218875.00	227297.00	260015.00	253311.00	225337.00	219639.00	252753.00	250081.00	244473.00	237628.00	204417.00	206465.00	225511.00	226408.00	267705.00	272792.00	264590.00	268396.00	219403.00	220994.00	217891.00	224899.00	234669.00	234952.00	228434.00	228677.00	250678.00	242606.00	272649.00	252901.00	225365.00	215990.00	218021.00	230370.00	221106.00	218493.00	260501.00	269987.00	235462.00	234349.00	248392.00	230002.00	259591.00	264549.00	229630.00	221696.00
C3 H2 O S3	69627.00	76089.00	1.00	1.00	1.00	1.00	1.00	1.00	26633.00	28164.00	57102.00	65355.00	17887.00	18647.00	68122.00	63870.00	55990.00	56921.00	11744.00	11398.00	13785.00	12650.00	67403.00	63299.00	62407.00	58788.00	1.00	13200.00	17641.00	17623.00	20207.00	17219.00	1.00	1.00	17695.00	17084.00	55072.00	53280.00	14974.00	14986.00	21339.00	20452.00	21162.00	16228.00	60243.00	63545.00	15529.00	13708.00	15756.00	15492.00	53463.00	47170.00	13877.00	13871.00
C40 H63 N7 O2	1.00	1.00	12992.00	13982.00	13486.00	13297.00	12361.00	13397.00	10851.00	1.00	1.00	8608.00	12478.00	12767.00	1.00	9423.00	1.00	10236.00	10495.00	11990.00	14093.00	11096.00	8508.00	1.00	8541.00	1.00	13832.00	12287.00	12887.00	11584.00	9573.00	13264.00	11395.00	1.00	11870.00	10880.00	1.00	8923.00	10466.00	11891.00	10310.00	13379.00	14975.00	12808.00	9758.00	1.00	10260.00	13230.00	12350.00	8544.00	1.00	9973.00	11652.00	11637.00
C27 H42 N6 O2 Esi-13.749769	96873.00	95885.00	1.00	44543.00	118177.00	94306.00	61289.00	40795.00	106871.00	104137.00	108632.00	88128.00	132089.00	83517.00	99607.00	103975.00	222277.00	1.00	61815.00	92355.00	1.00	144807.00	173287.00	173606.00	29888.00	1.00	280513.00	109801.00	61266.00	25297.00	96041.00	46709.00	31246.00	1.00	1.00	77380.00	109157.00	26548.00	35170.00	74101.00	1.00	1.00	1.00	147918.00	103391.00	121680.00	117404.00	19849.00	32603.00	183346.00	81854.00	50152.00	9210.00	1.00
C23 H44 N22 O6 Esi-12.302999	1.00	1.00	12110.00	1.00	19114.00	10786.00	19803.00	91453.00	10321.00	17374.00	1.00	1.00	19456.00	1.00	1.00	1.00	1.00	1.00	26614.00	11637.00	39533.00	1.00	1.00	1.00	1.00	1.00	36734.00	11845.00	66113.00	71845.00	1.00	31211.00	24536.00	1.00	1.00	17909.00	1.00	1.00	20830.00	10672.00	11164.00	1.00	15621.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	51919.00	1.00
C4 H6 O S	565804.00	574869.00	170634.00	167818.00	165458.00	176733.00	244791.00	244949.00	365055.00	359382.00	533639.00	545511.00	373270.00	380070.00	579575.00	571005.00	514342.00	523554.00	281568.00	280620.00	263348.00	253467.00	597751.00	584347.00	508343.00	523654.00	237269.00	244263.00	273552.00	266637.00	298863.00	308650.00	223221.00	229597.00	328264.00	318077.00	508779.00	502824.00	292082.00	303971.00	353810.00	333173.00	313132.00	298045.00	518197.00	547757.00	307969.00	305784.00	335303.00	338948.00	508616.00	491465.00	263390.00	265272.00
C21 H8 N O4	4776.00	4603.00	9458.00	9542.00	7619.00	6778.00	14813.00	13977.00	6668.00	6672.00	6982.00	7040.00	3176.00	1.00	8949.00	8332.00	3410.00	3353.00	15164.00	15403.00	13900.00	12584.00	12837.00	12664.00	5466.00	4004.00	7839.00	6375.00	8013.00	7114.00	8747.00	8959.00	11442.00	10835.00	7486.00	8543.00	12166.00	11138.00	9028.00	8819.00	5980.00	5032.00	5761.00	6838.00	5420.00	7310.00	16141.00	16683.00	8348.00	9836.00	10276.00	11198.00	6395.00	6869.00
CGP 28014	18606.00	15849.00	17075.00	1.00	17109.00	17118.00	18143.00	15517.00	1.00	1.00	15549.00	17127.00	15838.00	17053.00	16557.00	18104.00	16896.00	17186.00	16243.00	15776.00	17869.00	18128.00	16160.00	18659.00	18662.00	18569.00	18335.00	15655.00	16675.00	19152.00	1.00	16085.00	17248.00	16124.00	17431.00	17072.00	16292.00	18380.00	19071.00	16342.00	16812.00	16769.00	17695.00	17040.00	14584.00	18440.00	1.00	17269.00	17749.00	17418.00	17709.00	18139.00	18736.00	16681.00
C7 H15 N6 S2	91319.00	84420.00	1.00	1.00	1.00	1.00	1.00	1.00	32127.00	30621.00	55952.00	61614.00	30488.00	33439.00	82965.00	83920.00	60056.00	61062.00	20252.00	19297.00	19012.00	16609.00	88716.00	86991.00	61892.00	60450.00	20602.00	18006.00	20148.00	23462.00	25165.00	26314.00	19909.00	22249.00	23897.00	25507.00	56150.00	62788.00	24649.00	29309.00	32112.00	25288.00	22477.00	23952.00	73117.00	74544.00	26612.00	29309.00	29690.00	29093.00	61264.00	55385.00	20628.00	20317.00
C24 H57 N22 O6	1.00	1.00	10200.00	1.00	8900.00	11290.00	10728.00	10087.00	1.00	9001.00	8982.00	1.00	10318.00	9834.00	1.00	1.00	1.00	8860.00	9714.00	10534.00	12002.00	10275.00	1.00	1.00	1.00	1.00	9684.00	8580.00	1.00	1.00	10930.00	9607.00	10849.00	9247.00	1.00	1.00	1.00	1.00	10214.00	10419.00	9150.00	1.00	9608.00	11449.00	1.00	1.00	10743.00	1.00	10098.00	10718.00	1.00	10329.00	10188.00	9231.00
C3 H3 N4 O5 Esi-1.3840003	88980.00	90137.00	115518.00	118592.00	125831.00	134143.00	121315.00	120984.00	108738.00	99718.00	117044.00	111756.00	91456.00	26306.00	89723.00	81885.00	94040.00	92546.00	94099.00	91389.00	96587.00	102186.00	99692.00	98988.00	23907.00	97804.00	107368.00	108832.00	22246.00	74212.00	22916.00	20689.00	109484.00	114283.00	103143.00	103801.00	20765.00	25287.00	23810.00	79755.00	80175.00	86692.00	21443.00	82867.00	95747.00	97566.00	121544.00	118723.00	125586.00	116904.00	91654.00	92565.00	97406.00	101819.00
C19 H50 Cl3 N13 O2	579362.00	586028.00	339777.00	350519.00	452400.00	448659.00	521680.00	540554.00	453291.00	468760.00	813181.00	835666.00	402491.00	443537.00	987086.00	945076.00	587014.00	580850.00	508422.00	495274.00	644677.00	626925.00	811684.00	822729.00	1084785.00	1089182.00	565574.00	535269.00	615852.00	655540.00	667710.00	702322.00	465803.00	444710.00	500365.00	525851.00	735748.00	747666.00	554993.00	543674.00	554986.00	566185.00	552599.00	544758.00	831402.00	821909.00	513624.00	513490.00	466822.00	456538.00	913614.00	887700.00	611389.00	584237.00
C12 H14 O4	40861.00	42368.00	43407.00	41931.00	32265.00	29444.00	25061.00	25191.00	40739.00	38723.00	41259.00	40930.00	38566.00	43125.00	54718.00	62535.00	87665.00	89440.00	15563.00	18327.00	60191.00	63174.00	52784.00	51659.00	126924.00	129487.00	47912.00	49280.00	37736.00	35894.00	62453.00	62399.00	27470.00	30270.00	37160.00	34944.00	44375.00	41592.00	52505.00	48085.00	60061.00	60518.00	52022.00	54097.00	26845.00	24169.00	40273.00	43826.00	29370.00	29640.00	72840.00	77858.00	43379.00	49101.00
C35 H75 N3 O2	1.00	1.00	8063.00	9213.00	8584.00	10380.00	9392.00	10144.00	8243.00	9879.00	5938.00	6085.00	9194.00	8275.00	7146.00	3997.00	4924.00	3839.00	5750.00	5948.00	8705.00	5132.00	6083.00	4295.00	3255.00	4692.00	6697.00	5417.00	8480.00	8533.00	8958.00	7923.00	8247.00	9647.00	7249.00	4659.00	6341.00	5427.00	6597.00	9649.00	8930.00	5325.00	8830.00	8532.00	7107.00	1.00	8453.00	9416.00	9248.00	8013.00	8042.00	7382.00	6968.00	9044.00
C24 H51 N27 O	1.00	1.00	14670.00	12752.00	11230.00	11350.00	9977.00	9854.00	8702.00	9402.00	1.00	1.00	11226.00	11528.00	1.00	1.00	1.00	1.00	11186.00	10846.00	11061.00	11031.00	1.00	1.00	1.00	1.00	12151.00	12015.00	11958.00	9956.00	10046.00	11630.00	10997.00	11797.00	10274.00	10577.00	1.00	1.00	11904.00	12269.00	12435.00	11358.00	11085.00	11397.00	1.00	1.00	9228.00	10014.00	9027.00	10422.00	8613.00	8458.00	10594.00	13142.00
C44 H62 Cl N2 O7 S2	1.00	1.00	9238.00	9589.00	1.00	1.00	9137.00	11134.00	1.00	10365.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	8551.00	10625.00	9687.00	9918.00	1.00	1.00	1.00	1.00	10139.00	1.00	1.00	11493.00	9162.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11266.00	10927.00	8883.00	1.00	8240.00	9556.00	1.00	1.00	10588.00	10441.00	1.00	8637.00	1.00	1.00	8646.00	12297.00
C6 H7 O7 S5	9991.00	12833.00	5176.00	5983.00	7244.00	6301.00	7997.00	7412.00	10132.00	10801.00	12377.00	12976.00	8994.00	8009.00	11621.00	11801.00	11570.00	15878.00	7332.00	4797.00	7287.00	5727.00	16780.00	14983.00	13593.00	17385.00	5971.00	8720.00	8461.00	7509.00	7044.00	8890.00	5773.00	8594.00	8686.00	6639.00	13793.00	12565.00	8788.00	6627.00	7606.00	8669.00	5842.00	6396.00	13107.00	12820.00	9558.00	7423.00	8758.00	9290.00	12772.00	12442.00	7725.00	7643.00
C41 H83 N O9	8349.00	6479.00	6129.00	7466.00	7329.00	9114.00	8891.00	7545.00	7749.00	6004.00	8976.00	7257.00	8604.00	7729.00	8330.00	8289.00	6367.00	8047.00	7630.00	9539.00	6993.00	8865.00	4897.00	9042.00	9422.00	6077.00	7871.00	7381.00	8494.00	7203.00	8580.00	6391.00	8084.00	3740.00	7128.00	8977.00	9134.00	9739.00	6218.00	8804.00	6757.00	7197.00	7239.00	7174.00	10769.00	6843.00	9238.00	8118.00	8301.00	8416.00	11632.00	9651.00	7717.00	6685.00
Iothalamic acid	11598.00	11377.00	7201.00	5580.00	6138.00	7003.00	7957.00	7516.00	8007.00	7069.00	9899.00	10714.00	7619.00	6374.00	9726.00	11615.00	10800.00	10169.00	6596.00	7253.00	7063.00	8406.00	13314.00	13486.00	10915.00	11917.00	6764.00	7754.00	6410.00	6771.00	5893.00	7997.00	7416.00	7422.00	7669.00	8968.00	10287.00	10816.00	7275.00	7064.00	7556.00	7674.00	7701.00	8324.00	11503.00	9291.00	7972.00	7781.00	8303.00	7547.00	9799.00	11791.00	7325.00	6586.00
C28 H43 N10 O7	35259.00	100142.00	36030.00	40626.00	97450.00	99583.00	67620.00	69188.00	38967.00	39980.00	129906.00	110324.00	56596.00	66834.00	163670.00	167526.00	59020.00	19300.00	87871.00	89438.00	62701.00	22005.00	117974.00	116318.00	24992.00	90461.00	54434.00	52731.00	56097.00	60598.00	78469.00	25804.00	66375.00	23423.00	78470.00	80569.00	156513.00	157059.00	63335.00	65876.00	49612.00	49723.00	49595.00	52188.00	253906.00	247294.00	19843.00	62695.00	81382.00	81247.00	142904.00	146371.00	23505.00	71164.00
C18 H10 N2	14319.00	14239.00	1.00	1.00	1.00	1.00	1.00	1.00	10778.00	10585.00	23081.00	20296.00	14378.00	11781.00	12253.00	11473.00	10143.00	11370.00	1.00	1.00	1.00	1.00	8997.00	9089.00	13835.00	13175.00	1.00	1.00	9706.00	9159.00	8773.00	10482.00	10568.00	9854.00	1.00	8403.00	10489.00	13656.00	8516.00	1.00	11695.00	10744.00	8712.00	1.00	14352.00	14580.00	1.00	1.00	8543.00	8532.00	11461.00	10572.00	1.00	1.00
13(S)-HODE Esi-12.052996	144565.00	50622.00	27266.00	19965.00	25523.00	63182.00	48989.00	56412.00	24815.00	35696.00	39351.00	25165.00	1.00	40800.00	95560.00	96098.00	99541.00	55482.00	42831.00	35038.00	127176.00	138861.00	85318.00	25361.00	120310.00	165058.00	58411.00	39289.00	121829.00	193401.00	152988.00	78048.00	23309.00	25521.00	26350.00	33398.00	24223.00	30292.00	77293.00	119206.00	102498.00	160357.00	100714.00	154172.00	97033.00	26022.00	53566.00	42693.00	29776.00	25748.00	107885.00	41838.00	146339.00	51715.00
C46 H86 N S	9264.00	8846.00	11019.00	10528.00	1.00	1.00	1.00	9697.00	9645.00	10631.00	10802.00	10872.00	10990.00	9809.00	10217.00	11254.00	9019.00	12386.00	11090.00	12165.00	10269.00	1.00	12874.00	11429.00	10270.00	9908.00	9174.00	1.00	9529.00	9370.00	11434.00	14278.00	1.00	11147.00	9960.00	9795.00	11095.00	11560.00	13597.00	11732.00	12396.00	10613.00	13292.00	10646.00	11105.00	10515.00	9165.00	11046.00	9790.00	8949.00	11001.00	13680.00	11043.00	9252.00
C9 H2 N O4 S	73775.00	11129.00	1.00	1.00	1.00	1.00	1.00	1.00	26819.00	28234.00	55980.00	58117.00	19453.00	22501.00	63399.00	59572.00	53337.00	52749.00	13952.00	16908.00	14339.00	18536.00	11224.00	10642.00	60666.00	58172.00	14143.00	1.00	17237.00	19136.00	26833.00	18580.00	1.00	1.00	18148.00	23749.00	50677.00	63393.00	19918.00	17295.00	17821.00	17799.00	18475.00	20733.00	62637.00	62830.00	19373.00	14712.00	15289.00	16623.00	11260.00	46391.00	12390.00	15776.00
C27 H35 N17	40407.00	38915.00	21241.00	1.00	25757.00	25247.00	27065.00	32588.00	26569.00	28343.00	52301.00	53772.00	23806.00	27508.00	64273.00	61214.00	40417.00	39639.00	27671.00	27688.00	40683.00	41768.00	57456.00	55284.00	72799.00	75468.00	32505.00	30571.00	35528.00	34334.00	38216.00	38479.00	27010.00	24371.00	28166.00	33650.00	51636.00	50599.00	38590.00	38302.00	35966.00	32626.00	33061.00	31422.00	56543.00	57161.00	31651.00	30735.00	26646.00	26298.00	64381.00	62071.00	37410.00	34503.00
Tropolone Esi-6.2980022	34865.00	35633.00	42190.00	39183.00	44094.00	40472.00	48335.00	37973.00	41763.00	40787.00	44998.00	40486.00	35346.00	48196.00	43838.00	35086.00	35109.00	35477.00	39791.00	39161.00	40622.00	34306.00	48957.00	40958.00	40094.00	45801.00	47735.00	51089.00	42068.00	39728.00	39158.00	40251.00	46911.00	48525.00	50359.00	43598.00	41700.00	48784.00	46606.00	41126.00	43337.00	49086.00	44646.00	41272.00	44280.00	44215.00	50463.00	43208.00	54618.00	53906.00	39718.00	51137.00	44448.00	47801.00
C42 H71 N6	1.00	1.00	1.00	1.00	8649.00	1.00	8760.00	8615.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	8463.00	1.00	1.00	9600.00	1.00	1.00	1.00	1.00	1.00	1.00	10168.00	1.00	1.00	8475.00	8573.00	1.00	1.00	1.00	1.00	1.00	8959.00	9962.00	1.00	9414.00	8949.00	1.00	1.00	1.00	1.00	9067.00	9885.00	8922.00	1.00	9276.00	10126.00	1.00
9,10-Epoxy-18-hydroxystearate Esi-11.701999	28422.00	20122.00	1.00	1.00	1.00	1.00	1.00	17675.00	14428.00	15389.00	17983.00	17399.00	10348.00	1.00	26734.00	26176.00	25237.00	24699.00	17484.00	12687.00	19140.00	11556.00	19584.00	21230.00	29807.00	32524.00	22388.00	13930.00	40731.00	51790.00	12210.00	34976.00	12176.00	1.00	1.00	12794.00	21966.00	22149.00	35663.00	30287.00	22577.00	20429.00	30164.00	25502.00	22150.00	22311.00	1.00	1.00	12933.00	12968.00	10542.00	24809.00	48898.00	26283.00
C27 H45 N23	1.00	1.00	26856.00	35926.00	1.00	1.00	44253.00	71365.00	32399.00	37803.00	1.00	1.00	45407.00	21518.00	1.00	1.00	1.00	1.00	52872.00	28421.00	23520.00	1.00	1.00	1.00	1.00	1.00	58299.00	39459.00	88048.00	63808.00	18453.00	70039.00	1.00	1.00	17362.00	38713.00	1.00	1.00	21689.00	12938.00	10689.00	1.00	42726.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	38409.00	17143.00
D-(-)-Lyxose	140777.00	138924.00	165744.00	166722.00	221462.00	229578.00	196076.00	190745.00	173891.00	173754.00	170278.00	162378.00	172994.00	191045.00	151802.00	143595.00	172610.00	179472.00	214651.00	212768.00	244561.00	241798.00	151375.00	153909.00	168405.00	168773.00	215610.00	211294.00	184756.00	179398.00	196774.00	197022.00	238279.00	243196.00	249005.00	258441.00	148441.00	158670.00	263748.00	268690.00	170763.00	167377.00	229497.00	213641.00	165610.00	167975.00	257149.00	257054.00	224274.00	220339.00	221251.00	229391.00	205688.00	195993.00
C22 H2 Cl2 N3 O9	33875.00	34171.00	36002.00	36608.00	40531.00	41764.00	40709.00	42228.00	41778.00	45035.00	62369.00	31956.00	35173.00	46757.00	65430.00	34835.00	61147.00	63794.00	39810.00	41935.00	44011.00	35355.00	66003.00	36577.00	64221.00	67368.00	43167.00	35156.00	39438.00	36359.00	41979.00	22947.00	41833.00	34375.00	32542.00	17052.00	63753.00	29483.00	38291.00	42520.00	44496.00	44512.00	40790.00	31844.00	34920.00	63043.00	43982.00	32103.00	48524.00	48245.00	36224.00	60124.00	34495.00	43542.00
C30 H45 N7 O4	1.00	1.00	38956.00	31822.00	39749.00	33659.00	40416.00	91417.00	29114.00	33032.00	1.00	14185.00	39559.00	32069.00	1.00	1.00	16307.00	15737.00	42180.00	30411.00	67440.00	30162.00	1.00	1.00	16427.00	12945.00	51191.00	31002.00	88814.00	93723.00	25523.00	42375.00	44663.00	27016.00	23667.00	31868.00	1.00	1.00	44429.00	34126.00	30267.00	21547.00	31741.00	18621.00	1.00	1.00	19934.00	18680.00	26170.00	24249.00	18747.00	14721.00	63761.00	27332.00
9,12-dioxo-dodecanoic acid Esi-6.9339976	42378.00	71125.00	69919.00	73095.00	48024.00	69532.00	67294.00	60388.00	51448.00	48332.00	47573.00	31311.00	69826.00	70409.00	74460.00	53034.00	104163.00	91002.00	68562.00	81639.00	86862.00	82173.00	63071.00	59446.00	92584.00	103080.00	79154.00	83403.00	66377.00	69648.00	91108.00	103277.00	63441.00	56919.00	75582.00	63329.00	66556.00	59271.00	67447.00	74159.00	93335.00	76114.00	64412.00	64305.00	68164.00	72768.00	70096.00	54596.00	60843.00	48786.00	76867.00	72753.00	68121.00	61248.00
Triamcinolone Esi-10.947999 :2	41461.00	40732.00	45326.00	41940.00	41137.00	42263.00	43481.00	38509.00	44022.00	43911.00	48814.00	42605.00	38808.00	41254.00	42825.00	43714.00	41215.00	44229.00	45891.00	40087.00	40311.00	42340.00	41549.00	40965.00	37482.00	41604.00	41950.00	40818.00	38856.00	39717.00	39816.00	37071.00	42559.00	40387.00	43024.00	38275.00	38605.00	42865.00	41501.00	43507.00	43512.00	41280.00	44086.00	42482.00	43112.00	42764.00	40579.00	37806.00	38709.00	38659.00	41325.00	40965.00	39668.00	40920.00
C6 H8 Cl Esi-1.2739995	18879.00	20522.00	1.00	29408.00	17220.00	1.00	1.00	34041.00	1.00	1.00	37944.00	36335.00	20351.00	24845.00	32195.00	30473.00	20402.00	17994.00	26179.00	17875.00	15024.00	27181.00	23004.00	32231.00	30827.00	34378.00	14309.00	26307.00	27306.00	17578.00	27885.00	26066.00	27178.00	16155.00	17635.00	17703.00	18856.00	15422.00	15930.00	22869.00	19236.00	20705.00	15692.00	28378.00	19956.00	33861.00	35488.00	18205.00	33648.00	18263.00	19416.00	23373.00	16641.00	28631.00
C49 H73 N2 S2	9802.00	1.00	11918.00	12839.00	12486.00	11774.00	12587.00	12261.00	11989.00	10315.00	12435.00	10466.00	11503.00	12448.00	14293.00	12322.00	9089.00	13394.00	13037.00	12679.00	13206.00	14455.00	10020.00	9829.00	10155.00	10448.00	13252.00	14745.00	13194.00	12554.00	12887.00	12580.00	12019.00	11429.00	13219.00	13928.00	9152.00	10940.00	10882.00	14613.00	12728.00	14786.00	13292.00	14746.00	12397.00	11093.00	11109.00	13004.00	11961.00	12111.00	13834.00	13070.00	14330.00	12457.00
MID42031:25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / 25-hydroxy-16,17,23,23,24,24-hexadehyd Esi-13.622005 :1	20047.00	38355.00	201956.00	104609.00	234642.00	168419.00	203668.00	365343.00	134528.00	151074.00	34800.00	48376.00	205797.00	76751.00	58773.00	23248.00	73302.00	66778.00	225047.00	157772.00	240156.00	84732.00	58726.00	68803.00	78320.00	75533.00	259790.00	144685.00	303062.00	304439.00	111755.00	243587.00	230516.00	83685.00	64069.00	203948.00	21751.00	57972.00	214322.00	146815.00	148598.00	71547.00	195106.00	68939.00	24327.00	32219.00	32513.00	33919.00	99324.00	49084.00	126368.00	79771.00	264989.00	127165.00
13(S)-HODE Esi-11.820004	48410.00	43440.00	1.00	1.00	1.00	1.00	16930.00	36409.00	26619.00	26215.00	34040.00	39485.00	22751.00	21529.00	42015.00	18037.00	54200.00	53038.00	22284.00	1.00	58526.00	30241.00	16075.00	9927.00	23611.00	73440.00	60668.00	37720.00	102231.00	129487.00	57185.00	98229.00	1.00	1.00	1.00	1.00	46125.00	58183.00	72740.00	57360.00	53015.00	49225.00	67681.00	68709.00	42927.00	55748.00	16344.00	20492.00	27574.00	24064.00	59473.00	55522.00	136867.00	55208.00
Scarlet Red Esi-10.394001 :1	41760.00	38008.00	42223.00	41865.00	44751.00	43636.00	45406.00	37399.00	39524.00	40595.00	42122.00	39208.00	39115.00	40574.00	38347.00	35866.00	36748.00	33080.00	42948.00	38696.00	37402.00	36594.00	38593.00	38623.00	35597.00	37417.00	36417.00	38072.00	37779.00	39734.00	35375.00	40925.00	36274.00	38409.00	40140.00	38178.00	36803.00	36086.00	36005.00	37388.00	35205.00	38614.00	38081.00	38743.00	36201.00	38651.00	39499.00	38248.00	38042.00	37216.00	36586.00	36962.00	36076.00	36733.00
C42 H74 N4 S5	1.00	1.00	10376.00	9471.00	9472.00	9586.00	9299.00	8737.00	1.00	8651.00	1.00	1.00	8878.00	8755.00	1.00	1.00	1.00	1.00	9971.00	1.00	8659.00	10790.00	1.00	1.00	1.00	1.00	8985.00	9204.00	10246.00	9066.00	9811.00	8959.00	9026.00	9814.00	1.00	1.00	1.00	1.00	9045.00	10395.00	9720.00	9508.00	9150.00	8973.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10365.00	10658.00
C13 H2 N O13 S2 Esi-13.447999 :2	35491.00	55182.00	56475.00	43465.00	62193.00	26220.00	52785.00	1.00	111411.00	58625.00	1.00	197928.00	85767.00	1.00	71381.00	34974.00	15314.00	13436.00	20438.00	17366.00	28072.00	1.00	1.00	1.00	49165.00	45767.00	22284.00	41748.00	18488.00	1.00	1.00	1.00	30104.00	18818.00	1.00	60050.00	95227.00	17511.00	36286.00	32461.00	42709.00	48094.00	28688.00	18154.00	42939.00	23886.00	1.00	28798.00	40928.00	1.00	134647.00	21938.00	25323.00	18545.00
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid Esi-8.519997 :1	11440.00	11365.00	68191.00	67673.00	77473.00	77075.00	58933.00	60702.00	81128.00	83242.00	117021.00	118142.00	89421.00	98761.00	17423.00	17301.00	133739.00	9936.00	10981.00	12003.00	130623.00	9414.00	12585.00	12600.00	13999.00	13699.00	143572.00	10174.00	12492.00	11677.00	16952.00	17682.00	62593.00	57586.00	111516.00	114729.00	14284.00	14306.00	23835.00	23028.00	13343.00	13405.00	18080.00	19139.00	15540.00	16008.00	70953.00	72892.00	11544.00	10052.00	14072.00	13180.00	16680.00	17542.00
C27 H42 N6 O2 Esi-13.958004	1.00	1.00	1.00	1.00	77082.00	139999.00	99201.00	1.00	1.00	1.00	1.00	1.00	1.00	63139.00	99271.00	1.00	1.00	32787.00	28271.00	82887.00	1.00	79602.00	1.00	1.00	166244.00	34822.00	71664.00	1.00	1.00	1.00	1.00	1.00	1.00	57930.00	1.00	1.00	122137.00	108864.00	92129.00	1.00	1.00	1.00	1.00	40361.00	40581.00	93102.00	39251.00	81806.00	1.00	1.00	1.00	251796.00	1.00	34327.00
C19 H4 O22 S2 Esi-0.84199935	24636.00	27086.00	13943.00	14262.00	15515.00	15518.00	17019.00	16963.00	16646.00	16270.00	21520.00	23113.00	18026.00	15910.00	23865.00	23399.00	25525.00	23197.00	15324.00	14636.00	15534.00	17258.00	23440.00	23882.00	21802.00	22640.00	15086.00	15356.00	13672.00	13804.00	15479.00	14721.00	17191.00	16964.00	17837.00	17467.00	21643.00	21631.00	14990.00	15212.00	16283.00	15716.00	15014.00	14376.00	22315.00	22136.00	17285.00	17858.00	18492.00	17800.00	22393.00	21157.00	15635.00	14694.00
Alanylclavam Esi-0.83700037	1.00	14517.00	17164.00	17477.00	20355.00	20143.00	1.00	1.00	21317.00	19934.00	25804.00	22086.00	20505.00	17392.00	1.00	1.00	1.00	1.00	16384.00	14962.00	16595.00	16452.00	1.00	1.00	17199.00	20776.00	21758.00	19774.00	28046.00	27602.00	21400.00	21160.00	24980.00	23535.00	16549.00	17182.00	15917.00	16138.00	19601.00	20951.00	19760.00	18766.00	18675.00	19996.00	21934.00	19353.00	15747.00	17106.00	19956.00	19536.00	16367.00	15621.00	19700.00	20619.00
C11 H3 Cl N	160287.00	159973.00	155240.00	95260.00	103276.00	165687.00	158664.00	148886.00	152464.00	161895.00	177586.00	153005.00	153386.00	152524.00	153825.00	161491.00	149585.00	154788.00	154532.00	160418.00	152331.00	155345.00	150871.00	152172.00	141426.00	143257.00	147740.00	148434.00	145063.00	154276.00	151345.00	143620.00	159184.00	138841.00	137268.00	150861.00	147279.00	138495.00	171360.00	155774.00	151913.00	165943.00	159817.00	151806.00	158001.00	151247.00	136318.00	140155.00	145609.00	133756.00	140585.00	149654.00	151632.00	152647.00
C14 H22 N3 O2	17833.00	1.00	22365.00	23734.00	1.00	1.00	1.00	20324.00	1.00	1.00	1.00	1.00	24032.00	24580.00	25023.00	23968.00	34952.00	37271.00	1.00	1.00	29849.00	26324.00	19981.00	21017.00	33480.00	37384.00	26755.00	22806.00	24771.00	26024.00	34589.00	41421.00	22818.00	18180.00	22630.00	23598.00	21504.00	21566.00	29125.00	27407.00	24940.00	26110.00	28945.00	25445.00	22137.00	22866.00	21378.00	17558.00	1.00	1.00	29761.00	29006.00	29767.00	25189.00
C22 H39 N8 Esi-12.428	32242.00	31354.00	101174.00	65141.00	173698.00	119066.00	1.00	46045.00	1.00	1.00	1.00	1.00	184891.00	102860.00	27084.00	26242.00	16432.00	18058.00	74066.00	39109.00	43327.00	1.00	1.00	1.00	1.00	1.00	42332.00	1.00	92409.00	108472.00	32748.00	70133.00	1.00	1.00	1.00	1.00	24682.00	36824.00	39897.00	1.00	24098.00	1.00	228881.00	102190.00	20710.00	24400.00	1.00	1.00	1.00	1.00	1.00	1.00	45030.00	1.00
(13S)-13-Dihydrodaunorubicin Esi-3.2890012	23355.00	22670.00	34091.00	33906.00	27343.00	27365.00	29681.00	27744.00	22171.00	15344.00	23250.00	25718.00	28014.00	28720.00	29152.00	29758.00	29405.00	29558.00	23918.00	24361.00	35378.00	38370.00	26700.00	22749.00	30706.00	28392.00	36396.00	36239.00	29987.00	31189.00	37227.00	36298.00	29235.00	28033.00	28858.00	23934.00	29855.00	30837.00	32695.00	33981.00	35432.00	35120.00	32287.00	32201.00	36675.00	36708.00	24754.00	23395.00	23749.00	24598.00	27651.00	30932.00	32796.00	31337.00
(3R)-3-isopropenyl-6-oxoheptanoic acid Esi-6.9259973 :1	38978.00	40987.00	37001.00	44739.00	36067.00	1.00	30722.00	1.00	27374.00	38247.00	39598.00	1.00	41816.00	48818.00	61978.00	42037.00	50131.00	67422.00	38238.00	1.00	54803.00	49811.00	40639.00	26679.00	62641.00	63946.00	42022.00	49533.00	35399.00	36603.00	43936.00	69155.00	1.00	27884.00	36475.00	1.00	31658.00	41180.00	46367.00	38889.00	46294.00	40390.00	49033.00	42630.00	1.00	1.00	38222.00	1.00	34022.00	38383.00	38409.00	43206.00	38783.00	38389.00
C28 H37 N19 O4	1.00	1.00	22884.00	19210.00	29174.00	21402.00	28056.00	64029.00	19433.00	23372.00	1.00	1.00	26528.00	17685.00	1.00	1.00	1.00	1.00	31694.00	21724.00	45668.00	15994.00	1.00	1.00	1.00	1.00	40067.00	21608.00	64257.00	63297.00	14812.00	30182.00	30288.00	16346.00	13217.00	19555.00	1.00	1.00	24831.00	18399.00	20408.00	1.00	21823.00	1.00	1.00	1.00	1.00	1.00	16055.00	14377.00	1.00	1.00	44972.00	17857.00
2S-hydroxy-octadecanoic acid	1.00	11213.00	27963.00	1.00	21654.00	39082.00	1.00	33977.00	1.00	1.00	1.00	1.00	28792.00	1.00	1.00	1.00	19504.00	1.00	24819.00	12044.00	72039.00	1.00	1.00	1.00	1.00	1.00	50889.00	1.00	106719.00	130519.00	14256.00	159539.00	1.00	1.00	1.00	33345.00	38951.00	1.00	81285.00	25606.00	50338.00	12029.00	72824.00	1.00	22413.00	50602.00	24273.00	1.00	58695.00	1.00	39457.00	29550.00	99726.00	40865.00
15-hydroxy stearic acid Esi-12.177001 :1	15957.00	15202.00	14789.00	15837.00	15984.00	36031.00	17349.00	63124.00	17176.00	50745.00	15130.00	15990.00	17124.00	49016.00	16457.00	42154.00	20129.00	51204.00	15097.00	18012.00	19060.00	16929.00	15316.00	15789.00	15975.00	15476.00	90676.00	51522.00	63905.00	38537.00	16834.00	42504.00	18669.00	16704.00	17685.00	18102.00	14735.00	17206.00	15508.00	17480.00	17594.00	17102.00	16125.00	17710.00	16199.00	16468.00	14779.00	16443.00	16640.00	18035.00	15136.00	15978.00	53366.00	18010.00
C3 H3 N4 O5 Esi-1.3830005	100701.00	94588.00	119309.00	124855.00	131617.00	141902.00	124188.00	124994.00	110313.00	101712.00	121969.00	116726.00	95708.00	89712.00	93617.00	83724.00	94660.00	96249.00	96433.00	94929.00	99208.00	108159.00	105484.00	102831.00	103731.00	100834.00	109637.00	110618.00	80550.00	75551.00	80604.00	63213.00	112279.00	116655.00	105119.00	107509.00	54021.00	51227.00	90190.00	80933.00	81857.00	87697.00	61677.00	83675.00	100403.00	99478.00	123982.00	122974.00	128197.00	117805.00	93663.00	94528.00	98061.00	103232.00
15-hydroxy stearic acid Esi-12.018003 :1	37325.00	35410.00	37899.00	40944.00	1.00	40684.00	43583.00	74866.00	33610.00	1.00	39403.00	38296.00	40341.00	37497.00	28196.00	26226.00	31386.00	38016.00	45297.00	39902.00	53992.00	38860.00	39312.00	37052.00	38950.00	39544.00	49652.00	33709.00	76713.00	86777.00	40163.00	49783.00	47806.00	35769.00	36177.00	42842.00	36209.00	39902.00	47451.00	40035.00	37709.00	40406.00	43631.00	28634.00	39262.00	32831.00	38816.00	30104.00	1.00	34901.00	1.00	35204.00	60754.00	32773.00
C46 H90	11849.00	13161.00	1.00	9139.00	1.00	1.00	1.00	1.00	1.00	1.00	11871.00	13773.00	1.00	1.00	11657.00	10894.00	14369.00	11603.00	1.00	9412.00	1.00	1.00	13606.00	12262.00	11895.00	10445.00	9193.00	1.00	1.00	1.00	9768.00	1.00	9429.00	1.00	1.00	12528.00	15194.00	14583.00	9413.00	10110.00	1.00	10243.00	1.00	10736.00	13564.00	12585.00	9600.00	10886.00	12260.00	10199.00	14659.00	13111.00	10238.00	10310.00
2-Iodophenol Esi-12.989995	53364.00	118990.00	1.00	150998.00	61659.00	61850.00	47741.00	1.00	61759.00	90487.00	1.00	98720.00	69987.00	173255.00	138346.00	1.00	121014.00	135841.00	222009.00	1.00	1.00	1.00	130725.00	165975.00	40209.00	1.00	30232.00	70391.00	34611.00	18998.00	135101.00	76925.00	50801.00	271346.00	1.00	70741.00	173137.00	134618.00	84749.00	276050.00	42847.00	92190.00	115992.00	81359.00	148621.00	219640.00	1.00	111610.00	127991.00	146452.00	217395.00	85891.00	110029.00	1.00
C3 H6 N3 S Esi-1.2710006	106236.00	122660.00	28881.00	56942.00	132135.00	137773.00	125360.00	127921.00	80607.00	132900.00	110710.00	130279.00	123967.00	120955.00	71784.00	123363.00	149751.00	152448.00	120661.00	75907.00	139964.00	86828.00	133432.00	139568.00	86467.00	92132.00	41631.00	144627.00	128423.00	139061.00	111932.00	89477.00	129190.00	133888.00	91482.00	119621.00	123576.00	122763.00	72623.00	114669.00	99434.00	66063.00	97458.00	120542.00	151546.00	115530.00	152337.00	144420.00	79262.00	32659.00	115394.00	162481.00	137648.00	128309.00
Doisynoestrol Esi-9.843996	83868.00	86654.00	95475.00	94753.00	87354.00	98190.00	93650.00	90318.00	87165.00	92023.00	86583.00	95247.00	82542.00	86631.00	88545.00	88130.00	90767.00	89520.00	92047.00	89960.00	92812.00	92178.00	84185.00	84218.00	103248.00	80470.00	86447.00	80516.00	101720.00	105598.00	96657.00	73068.00	81692.00	86660.00	83221.00	79506.00	89398.00	98923.00	75887.00	85040.00	90549.00	81694.00	82113.00	76523.00	81342.00	80654.00	80159.00	82394.00	84603.00	79062.00	100587.00	78549.00	96141.00	81618.00
C11 H3 Cl N Esi-6.533997	168494.00	159973.00	158414.00	167949.00	103206.00	165888.00	149866.00	148886.00	151539.00	156251.00	177559.00	149480.00	144668.00	152524.00	72433.00	161491.00	149848.00	154946.00	154532.00	160418.00	157117.00	155775.00	144234.00	150627.00	141426.00	144756.00	146462.00	148589.00	149244.00	154276.00	150867.00	135317.00	156170.00	146926.00	145086.00	150861.00	143671.00	138046.00	171360.00	158489.00	150496.00	164526.00	159780.00	152118.00	158679.00	151050.00	144104.00	143389.00	145718.00	133513.00	139193.00	149654.00	151632.00	146079.00
Orthothymotinic Acid Esi-8.777004 :3	359245.00	351459.00	356965.00	357285.00	43685.00	366463.00	344156.00	333454.00	353253.00	353688.00	352425.00	351586.00	21060.00	330617.00	326883.00	332403.00	320568.00	316727.00	327996.00	325330.00	311462.00	340785.00	346475.00	335562.00	334441.00	333919.00	322972.00	342322.00	59557.00	342088.00	345911.00	347592.00	356570.00	361326.00	337437.00	357964.00	348482.00	338577.00	348985.00	326551.00	315997.00	340711.00	318271.00	338800.00	331661.00	345453.00	339868.00	353789.00	346904.00	343190.00	333182.00	347327.00	339324.00	348855.00
C3 H2 N3 O3 Esi-0.84700006 :1	155578.00	31542.00	132634.00	115296.00	126265.00	121845.00	32722.00	164188.00	129529.00	147560.00	125839.00	159893.00	149433.00	155941.00	124879.00	155515.00	164171.00	160093.00	121518.00	139821.00	127250.00	159440.00	165665.00	153277.00	179406.00	149131.00	178890.00	149853.00	144303.00	149995.00	132279.00	167525.00	156048.00	125638.00	142073.00	139246.00	169739.00	170627.00	163704.00	148839.00	149451.00	165438.00	174241.00	129160.00	136396.00	136241.00	124586.00	135493.00	129329.00	136362.00	143409.00	191498.00	133254.00	133824.00
C32 H51 N13 O3	31862.00	34520.00	189082.00	131598.00	560476.00	401493.00	269667.00	32504.00	157604.00	233201.00	55499.00	76963.00	408601.00	205615.00	52853.00	49420.00	111994.00	94303.00	402695.00	229621.00	291540.00	82984.00	48841.00	44708.00	104884.00	84021.00	306692.00	123543.00	27941.00	30333.00	235783.00	1.00	406224.00	154688.00	176538.00	409413.00	43876.00	67644.00	249035.00	140224.00	114320.00	54821.00	135570.00	53537.00	59340.00	64747.00	70950.00	75298.00	183178.00	145759.00	241527.00	142506.00	26346.00	195430.00
C13 H17 O4 Esi-13.753999	1.00	1.00	20409.00	12067.00	24341.00	21078.00	22308.00	27814.00	16247.00	19930.00	1.00	1.00	24175.00	11890.00	1.00	1.00	1.00	1.00	27599.00	17184.00	29154.00	1.00	1.00	1.00	1.00	1.00	20780.00	16995.00	25128.00	28205.00	12477.00	26233.00	28253.00	1.00	1.00	19686.00	1.00	1.00	21666.00	13683.00	12203.00	1.00	18088.00	1.00	1.00	1.00	1.00	1.00	10458.00	14307.00	15303.00	1.00	26201.00	13513.00
C26 H36 N10 Esi-5.2899995	902132.00	887367.00	941902.00	955182.00	926056.00	928388.00	939954.00	918778.00	912151.00	872615.00	893671.00	878509.00	882397.00	911051.00	921536.00	922178.00	873257.00	896843.00	871779.00	914038.00	884745.00	897303.00	900629.00	906151.00	937878.00	915271.00	890026.00	924677.00	895157.00	922070.00	912807.00	928649.00	935340.00	934723.00	933152.00	957620.00	940830.00	923009.00	892629.00	918653.00	914269.00	930244.00	928895.00	924986.00	944527.00	939243.00	972199.00	923045.00	922310.00	942028.00	980041.00	944869.00	919486.00	901607.00
C28 H35 N19 O4	12210.00	10787.00	61707.00	60606.00	82067.00	77434.00	90723.00	104112.00	69066.00	75522.00	27510.00	25630.00	66651.00	64104.00	22233.00	19975.00	22557.00	21646.00	97878.00	88598.00	102707.00	76310.00	23729.00	25160.00	29598.00	26543.00	101201.00	78082.00	129892.00	127408.00	56289.00	72848.00	95806.00	80044.00	61086.00	66099.00	21609.00	20182.00	86313.00	77067.00	78193.00	69320.00	72385.00	58690.00	10730.00	1.00	65711.00	62866.00	71639.00	68820.00	20793.00	16653.00	104017.00	74179.00
C7 H3 N3 O3 Esi-0.89199936	49247.00	53056.00	1.00	34393.00	37083.00	41860.00	38973.00	37517.00	37257.00	41904.00	56308.00	56284.00	48985.00	52790.00	45507.00	46608.00	52819.00	47957.00	34895.00	31458.00	38360.00	39408.00	47928.00	47265.00	50088.00	58323.00	54504.00	55500.00	57957.00	57141.00	43335.00	44832.00	55567.00	55530.00	39548.00	37995.00	50296.00	53220.00	41143.00	37692.00	51582.00	51293.00	43090.00	47907.00	48212.00	50760.00	39115.00	41460.00	44710.00	44046.00	44139.00	45457.00	41943.00	43012.00
C11 H6 Cl N6 O	18358.00	18253.00	297.00	1.00	1.00	1.00	1.00	1.00	4239.00	1.00	11642.00	10333.00	1.00	1.00	17166.00	19156.00	14269.00	9863.00	285.00	347.00	808.00	270.00	19998.00	22049.00	10712.00	8833.00	640.00	1060.00	1.00	1.00	1.00	1.00	1.00	584.00	1404.00	1.00	12008.00	11933.00	633.00	873.00	592.00	1.00	1.00	1.00	15664.00	15660.00	1.00	1.00	1.00	1.00	10455.00	9311.00	1145.00	1.00
(+/-)-6-Hydroxy-3-oxo-alpha-ionol Esi-8.869999	1.00	1.00	280824.00	269259.00	1.00	1.00	145768.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	364142.00	1.00	641777.00	658110.00	1.00	111839.00	1.00	343042.00	1.00	1.00	691286.00	690633.00	290897.00	269874.00	227036.00	226666.00	443776.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	286443.00	1.00	347088.00	1.00	1.00	213895.00	195216.00	202361.00	212522.00	1.00	1.00	405211.00	1.00	239173.00	263487.00
12R,13S-epoxy-9S-hydroxy-10E-octadecenoic acid Esi-11.115	1.00	1.00	13269.00	1.00	21317.00	22573.00	20734.00	34695.00	1.00	1.00	1.00	1.00	19004.00	16028.00	1.00	1.00	39261.00	38658.00	42548.00	32648.00	41289.00	22260.00	1.00	1.00	1.00	1.00	24633.00	1.00	124405.00	124456.00	1.00	1.00	40703.00	28504.00	1.00	13863.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	19767.00	12439.00	1.00	20019.00	22232.00	1.00	1.00	1.00	1.00
C22 H39 N8 Esi-12.428 :1	27650.00	28064.00	93053.00	64376.00	172628.00	115143.00	1.00	42898.00	1.00	1.00	1.00	1.00	171474.00	100057.00	24029.00	20132.00	15431.00	1.00	67048.00	36841.00	38784.00	1.00	1.00	1.00	1.00	1.00	38189.00	1.00	91054.00	104736.00	27966.00	63375.00	1.00	1.00	1.00	1.00	19191.00	21499.00	1.00	1.00	23900.00	1.00	220353.00	98276.00	17584.00	17431.00	1.00	1.00	1.00	1.00	1.00	1.00	35962.00	1.00
Cholic acid Esi-8.231998	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10020.00	1.00	1.00	1.00	1.00	1.00	1.00	39724.00	41515.00	80378.00	81936.00	1.00	1.00	108440.00	106422.00	38550.00	38220.00	1.00	1.00	1.00	1.00	35275.00	35074.00	1.00	1.00	69387.00	64081.00	1.00	1.00	29707.00	31216.00	1.00	1.00	1.00	1.00	12663.00	1.00	13518.00	14943.00	24559.00	25509.00	10208.00	1.00	12094.00	10327.00	12077.00	12202.00
Cyclic-3,20-bis(1,2-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha,6alpha-epoxypregnane-3,20-dione	1.00	1.00	1.00	1.00	1.00	1.00	13294.00	11706.00	1.00	1.00	1.00	1.00	1.00	1.00	26133.00	28141.00	63329.00	65160.00	16998.00	17323.00	45447.00	39975.00	24027.00	23689.00	1.00	1.00	1.00	1.00	35649.00	35974.00	1.00	1.00	37094.00	35226.00	1.00	1.00	29661.00	31994.00	1.00	1.00	1.00	1.00	1.00	1.00	17517.00	16309.00	16108.00	16971.00	1.00	10800.00	11285.00	11532.00	1.00	1.00
C13 H10 O3 S	83539.00	81899.00	1.00	1.00	1.00	16065.00	12025.00	14914.00	22097.00	26754.00	60822.00	58773.00	20687.00	22455.00	75315.00	76236.00	58476.00	61039.00	14076.00	17223.00	1.00	1.00	93616.00	97277.00	64841.00	68221.00	19231.00	11368.00	1.00	1.00	18895.00	17707.00	20280.00	15162.00	23912.00	23867.00	50877.00	53258.00	1.00	1.00	16737.00	13539.00	19383.00	18157.00	72960.00	71041.00	22124.00	26443.00	26865.00	29498.00	62099.00	62775.00	12213.00	13079.00
C6 H4 N O2 S3 Esi-1.7620004	243728.00	516876.00	415597.00	183770.00	332750.00	1.00	1150021.00	176031.00	149402.00	377317.00	116577.00	203363.00	167922.00	1001821.00	1261092.00	1017490.00	314165.00	1075004.00	71955.00	219931.00	450086.00	1307004.00	432910.00	252215.00	1219326.00	1.00	208508.00	226166.00	452484.00	237501.00	660379.00	174272.00	191630.00	1.00	333847.00	411028.00	994716.00	768177.00	1.00	1.00	279098.00	1287100.00	1356340.00	1.00	563756.00	741424.00	1000035.00	721645.00	538476.00	1.00	1.00	649029.00	49370.00	26165.00
Cholic acid Esi-8.097	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10020.00	1.00	1.00	1.00	1.00	1.00	1.00	19359.00	20391.00	56385.00	55494.00	1.00	1.00	36899.00	36845.00	11792.00	10149.00	1.00	1.00	1.00	1.00	65916.00	63431.00	1.00	1.00	23157.00	23966.00	1.00	1.00	29707.00	31216.00	1.00	1.00	1.00	1.00	12663.00	1.00	14170.00	13925.00	22061.00	26095.00	10208.00	1.00	12094.00	10327.00	10322.00	12202.00
C22 H6 N O26 Esi-13.445004	121648.00	105234.00	130059.00	145056.00	122777.00	113602.00	108966.00	1.00	1.00	248607.00	90025.00	94675.00	103510.00	58602.00	116522.00	65271.00	82831.00	44805.00	233399.00	76845.00	1.00	158181.00	102231.00	90640.00	88614.00	88118.00	213057.00	109423.00	1.00	1.00	113311.00	1.00	1.00	77268.00	78905.00	119985.00	67562.00	56726.00	1.00	82577.00	31900.00	301241.00	67778.00	72056.00	72284.00	55467.00	1.00	53533.00	1.00	49009.00	92564.00	61615.00	1.00	78544.00
(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	22406.00	21686.00	1.00	1.00	1.00	1.00	1.00	1.00	19056.00	19895.00	1.00	1.00	1.00	1.00	28508.00	27751.00	45952.00	51292.00	1.00	1.00	27196.00	26426.00	21485.00	20355.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11196.00	10525.00	14111.00	15462.00	1.00	1.00	12049.00	11076.00	17834.00	17387.00	21053.00	19700.00
4,7-dioxo-octanoic acid Esi-3.4179997	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	19781.00	20315.00	1.00	1.00	1.00	1.00	1.00	1.00	16750.00	17191.00	1.00	1.00	1.00	1.00	25070.00	25164.00	46593.00	48783.00	1.00	1.00	22215.00	24819.00	18158.00	16922.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10284.00	12812.00	12800.00	1.00	1.00	10673.00	1.00	17139.00	16321.00	18104.00	16840.00
C17 Cl2 N O3 S3	46876.00	49721.00	1.00	1.00	1.00	1.00	1.00	1.00	15725.00	16158.00	46235.00	45532.00	1.00	10914.00	38409.00	39595.00	38624.00	37757.00	1.00	1.00	1.00	1.00	48869.00	45669.00	42663.00	43483.00	1.00	1.00	1.00	1.00	12291.00	13476.00	1.00	1.00	15817.00	14113.00	37051.00	39038.00	1.00	1.00	1.00	1.00	1.00	1.00	44413.00	44024.00	12610.00	16731.00	13183.00	13453.00	33602.00	38322.00	1.00	1.00
C13 H2 N O10 S	49405.00	48672.00	1.00	1.00	1.00	1.00	1.00	1.00	10557.00	10703.00	39941.00	42077.00	1.00	1.00	47106.00	44914.00	37795.00	38874.00	1.00	1.00	1.00	1.00	44059.00	46389.00	43152.00	45793.00	1.00	1.00	1.00	1.00	1.00	11736.00	1.00	1.00	10595.00	11224.00	47552.00	48958.00	1.00	1.00	1.00	1.00	1.00	1.00	45659.00	46000.00	1.00	1.00	1.00	1.00	45827.00	42595.00	1.00	1.00
Onitin	17308.00	23569.00	21615.00	12557.00	1.00	16596.00	1.00	1.00	18957.00	1.00	22403.00	19643.00	1.00	12175.00	30846.00	27076.00	28090.00	19732.00	1.00	1.00	1.00	25962.00	25350.00	20348.00	17585.00	21640.00	1.00	1.00	1.00	1.00	28942.00	1.00	1.00	10179.00	17979.00	1.00	31037.00	27233.00	1.00	34645.00	27757.00	30298.00	1.00	46995.00	18899.00	16111.00	20323.00	24872.00	23160.00	22358.00	23170.00	24740.00	1.00	26545.00
C6 H12 Cl2 N2 O3	39870.00	44492.00	1.00	1.00	1.00	1.00	1.00	1.00	12993.00	12854.00	32886.00	34717.00	14720.00	15416.00	42288.00	42744.00	26382.00	34105.00	1.00	1.00	1.00	1.00	45034.00	48439.00	31142.00	31633.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10345.00	10499.00	30252.00	28899.00	1.00	1.00	1.00	12312.00	1.00	1.00	37874.00	36841.00	1.00	1.00	1.00	13390.00	26592.00	24948.00	1.00	1.00
C13 H8 N6 O7 S2	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14724.00	14769.00	17404.00	17766.00	25379.00	29628.00	31935.00	32370.00	20328.00	20503.00	1.00	1.00	1.00	1.00	21299.00	19917.00	15946.00	17482.00	17463.00	17232.00	1.00	1.00	27439.00	29635.00	1.00	1.00	1.00	1.00	1.00	1.00	14467.00	13538.00	14195.00	13508.00	1.00	1.00	13533.00	1.00	1.00	1.00
C7 H5 Cl3 N4 O S3	37250.00	38497.00	1.00	1.00	1.00	1.00	1.00	1.00	13106.00	13498.00	30953.00	33356.00	1.00	1.00	30116.00	32594.00	26561.00	33087.00	1.00	1.00	1.00	1.00	37175.00	37321.00	33083.00	35330.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12529.00	26598.00	25032.00	1.00	1.00	1.00	1.00	1.00	1.00	32566.00	30644.00	1.00	1.00	1.00	1.00	30271.00	29423.00	1.00	1.00
2-methyl-3-oxo-propanoic acid Esi-1.1030004	62294.00	9994.00	26913.00	26598.00	24163.00	25606.00	71868.00	38944.00	23854.00	57827.00	57182.00	57511.00	28765.00	31041.00	14726.00	17248.00	54526.00	1.00	57573.00	84466.00	45991.00	76660.00	55055.00	53874.00	42963.00	90132.00	1.00	73181.00	1.00	67542.00	51699.00	17274.00	63490.00	26944.00	61291.00	25878.00	29338.00	69065.00	1.00	26761.00	61599.00	16992.00	1.00	1.00	1.00	25737.00	72320.00	64984.00	36416.00	68486.00	36446.00	68033.00	1.00	70903.00
C21 H38 N7 O3 Esi-11.930069	1.00	10162.00	1.00	14686.00	1.00	1.00	1.00	1.00	1.00	11775.00	10722.00	10497.00	1.00	20448.00	13889.00	15534.00	24169.00	19446.00	1.00	1.00	1.00	18232.00	10968.00	1.00	15033.00	15482.00	1.00	14239.00	1.00	1.00	19230.00	1.00	1.00	1.00	1.00	1.00	11308.00	9517.00	1.00	1.00	1.00	1.00	1.00	15144.00	12391.00	10172.00	1.00	1.00	11829.00	9975.00	16064.00	12623.00	1.00	1.00
C5 O11	36478.00	35306.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10174.00	27795.00	26353.00	1.00	1.00	30610.00	28887.00	23407.00	24001.00	1.00	1.00	1.00	1.00	36022.00	34426.00	27163.00	30299.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	9824.00	9463.00	27311.00	28425.00	1.00	1.00	1.00	1.00	1.00	1.00	29489.00	29309.00	10095.00	11628.00	1.00	1.00	30393.00	29422.00	1.00	1.00
C6 H6 N O7 S2	32494.00	35532.00	1.00	1.00	1.00	1.00	4252.00	3985.00	3899.00	4379.00	25880.00	26789.00	1.00	1.00	27648.00	26164.00	20190.00	18719.00	1.00	1.00	1.00	1.00	31470.00	32654.00	21163.00	24167.00	1.00	1.00	1.00	1.00	3657.00	4212.00	1.00	1.00	4048.00	5268.00	23890.00	25685.00	1.00	1.00	1.00	1.00	1.00	1.00	27495.00	27079.00	3022.00	3597.00	3816.00	3933.00	25746.00	23519.00	1.00	1.00
2,3-Diketo-5-methylthio-1-phosphopentane	1.00	1.00	1.00	1.00	12969.00	12837.00	12607.00	10964.00	1.00	1.00	10733.00	10118.00	1.00	1.00	1.00	1.00	14191.00	12606.00	14720.00	13789.00	12272.00	10849.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	18542.00	19297.00	13311.00	14618.00	1.00	1.00	1.00	1.00	1.00	1.00	35460.00	34798.00	17933.00	17867.00	1.00	1.00	10833.00	1.00	11924.00	13432.00
17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-(hydrogensuccinate) Esi-9.674996	1.00	1.00	1.00	1.00	13018.00	13798.00	11056.00	1.00	11252.00	11378.00	11684.00	10919.00	10574.00	10626.00	10573.00	13221.00	13320.00	13565.00	11560.00	12972.00	11032.00	10180.00	11151.00	11549.00	1.00	10420.00	12825.00	15338.00	10826.00	11030.00	1.00	1.00	18538.00	17674.00	14758.00	14182.00	13153.00	12733.00	1.00	1.00	1.00	1.00	13007.00	13694.00	27794.00	26679.00	16489.00	17027.00	13283.00	12873.00	17697.00	15269.00	1.00	1.00
C12 H15 N8 S2	36914.00	37643.00	1.00	1.00	1.00	1.00	1.00	1.00	11853.00	11450.00	29695.00	29576.00	1.00	1.00	22451.00	20766.00	27041.00	30176.00	1.00	1.00	1.00	1.00	31023.00	29865.00	34813.00	36681.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10026.00	1.00	27967.00	30347.00	1.00	1.00	1.00	1.00	1.00	1.00	28985.00	25486.00	1.00	10349.00	12825.00	14122.00	33079.00	34807.00	1.00	1.00
C14 H5 N O6	15592.00	14470.00	1.00	1.00	1.00	1.00	1.00	16501.00	1.00	1.00	1.00	1.00	33833.00	33664.00	18602.00	17605.00	1.00	1.00	29094.00	31156.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	17678.00	17264.00	1.00	1.00	1.00	15224.00	1.00	1.00	1.00	1.00	1.00	1.00	19585.00	18969.00	1.00	1.00	17317.00	15856.00	1.00	1.00	1.00	1.00
C8 H9 N O5 S	1.00	1.00	9151.00	1.00	14624.00	13875.00	30120.00	30055.00	10771.00	10457.00	19243.00	18716.00	1.00	1.00	17245.00	17150.00	1.00	1.00	22672.00	22345.00	10891.00	1.00	9800.00	11503.00	1.00	1.00	20271.00	19042.00	11121.00	10373.00	1.00	11295.00	22560.00	20560.00	14774.00	15448.00	10560.00	12046.00	1.00	1.00	13342.00	12908.00	14057.00	12646.00	13966.00	13939.00	17507.00	19118.00	13436.00	13006.00	14360.00	16406.00	13319.00	13000.00
C9 H3 N2 O6	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12824.00	13698.00	15417.00	15453.00	25445.00	25460.00	28221.00	30076.00	19000.00	19325.00	1.00	1.00	1.00	1.00	21145.00	21046.00	17050.00	18026.00	17486.00	17730.00	1.00	1.00	26654.00	24933.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14362.00	1.00	15035.00	1.00	1.00	16033.00	14312.00	1.00	1.00
3-Indolepropionic acid	14492.00	13180.00	1.00	1.00	13539.00	12531.00	17288.00	15002.00	10709.00	11455.00	1.00	1.00	16819.00	18661.00	18598.00	21940.00	14851.00	11549.00	19406.00	21883.00	14198.00	12757.00	25648.00	28873.00	1.00	1.00	14794.00	15144.00	16223.00	17978.00	12348.00	11654.00	13740.00	13268.00	13898.00	11344.00	19524.00	17916.00	1.00	1.00	11457.00	10725.00	11907.00	12184.00	16880.00	17213.00	10725.00	1.00	17301.00	17314.00	1.00	10469.00	10729.00	11396.00
para-Benzoquinone dioxime	12711.00	13002.00	10708.00	9093.00	32141.00	31849.00	1.00	1.00	11367.00	12501.00	1.00	1.00	1.00	14995.00	13510.00	14612.00	1.00	1.00	1.00	1.00	11959.00	1.00	14151.00	14038.00	1.00	1.00	14028.00	13624.00	12805.00	14676.00	10999.00	1.00	16218.00	16448.00	1.00	1.00	10540.00	1.00	1.00	9932.00	12259.00	10919.00	10724.00	10847.00	10886.00	11194.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	9500.00
Gly-Asp-OH	1.00	1.00	10711.00	12691.00	18541.00	19103.00	19835.00	18909.00	9218.00	1.00	14755.00	14697.00	10417.00	9544.00	1.00	9258.00	1.00	1.00	27930.00	28557.00	13834.00	15503.00	9269.00	1.00	1.00	1.00	23057.00	25638.00	11393.00	12132.00	1.00	10132.00	14550.00	15534.00	10950.00	11352.00	1.00	1.00	1.00	8941.00	14286.00	14838.00	11322.00	11700.00	11677.00	11304.00	16116.00	17416.00	16404.00	15357.00	1.00	1.00	10801.00	9676.00
C7 H12 N6 O7	25684.00	28421.00	1.00	1.00	1.00	1.00	1.00	1.00	13836.00	14924.00	20934.00	22132.00	11231.00	10803.00	16838.00	16721.00	23708.00	23615.00	1.00	1.00	1.00	1.00	24739.00	26069.00	29163.00	27234.00	1.00	1.00	1.00	1.00	8399.00	9767.00	1.00	1.00	12744.00	11131.00	24661.00	25718.00	1.00	9240.00	10324.00	9338.00	1.00	1.00	24704.00	22102.00	11356.00	12048.00	14523.00	14329.00	29706.00	29462.00	1.00	1.00
Coronarian	27761.00	27733.00	1.00	1.00	1.00	1.00	1.00	1.00	9787.00	8993.00	21703.00	20569.00	1.00	1.00	17181.00	17852.00	25901.00	23590.00	1.00	1.00	1.00	1.00	23721.00	24861.00	27568.00	26372.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	23095.00	23927.00	1.00	1.00	1.00	1.00	1.00	1.00	22849.00	20771.00	1.00	1.00	9845.00	9938.00	27222.00	28807.00	1.00	1.00
C7 H8 O5 S Esi-4.86	1.00	1.00	12666.00	13906.00	27024.00	27065.00	13540.00	13088.00	20737.00	20157.00	1.00	10238.00	1.00	1.00	26285.00	29031.00	1.00	1.00	1.00	1.00	1.00	1.00	22721.00	20382.00	15509.00	13025.00	12984.00	15467.00	23700.00	23213.00	16643.00	14012.00	17834.00	15097.00	1.00	1.00	19426.00	18286.00	1.00	1.00	18376.00	18196.00	20387.00	19484.00	17222.00	18473.00	1.00	1.00	16506.00	13748.00	1.00	1.00	11104.00	10713.00
C12 H2 O6	1.00	1.00	1.00	1.00	12706.00	13272.00	17976.00	13440.00	14544.00	23449.00	1.00	10881.00	1.00	1.00	17715.00	16696.00	10611.00	11098.00	11633.00	18882.00	16111.00	1.00	11157.00	22284.00	10303.00	1.00	20537.00	16466.00	17149.00	14909.00	1.00	1.00	24150.00	22464.00	1.00	1.00	11298.00	9988.00	1.00	1.00	1.00	13030.00	1.00	10506.00	10254.00	11462.00	13713.00	15863.00	10472.00	1.00	20540.00	1.00	17347.00	12088.00
2,4-heptadienal	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	5947.00	4607.00	13436.00	12279.00	1.00	1.00	4037.00	3938.00	1.00	1.00	9937.00	9968.00	1.00	1.00	1.00	1.00	14203.00	16211.00	25641.00	27603.00	1.00	1.00	12900.00	13628.00	12156.00	11939.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	5582.00	6417.00	9577.00	10017.00	5037.00	4526.00	6608.00	5315.00	8448.00	9884.00	12641.00	12935.00
Ellagic acid	51329.00	43588.00	42133.00	1.00	32532.00	1.00	45221.00	37563.00	40778.00	32443.00	1.00	37365.00	1.00	46739.00	47075.00	43148.00	46480.00	43026.00	31488.00	30172.00	41398.00	55305.00	39225.00	29000.00	35012.00	36667.00	50345.00	41221.00	39001.00	1.00	60183.00	28803.00	32126.00	29708.00	1.00	29284.00	37686.00	1.00	1.00	34011.00	52174.00	38574.00	1.00	50487.00	39479.00	39195.00	1.00	38986.00	43496.00	44277.00	55697.00	45325.00	44688.00	42658.00
C8 H9 O8	1.00	1.00	1.00	11476.00	26197.00	25019.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13097.00	13936.00	1.00	1.00	10740.00	12038.00	11226.00	11016.00	1.00	1.00	1.00	1.00	11279.00	10437.00	16774.00	19380.00	1.00	10324.00	16135.00	16672.00	1.00	9949.00	1.00	1.00	1.00	1.00	1.00	1.00	9942.00	9759.00	15602.00	14500.00	11502.00	11432.00	1.00	1.00	1.00	1.00	1.00	1.00
C26 H42 N10 O10	1.00	1.00	1.00	1.00	9962.00	1.00	1.00	13273.00	10195.00	1.00	16264.00	15069.00	1.00	1.00	18328.00	16933.00	1.00	1.00	25518.00	17775.00	9813.00	1.00	1.00	1.00	13361.00	13410.00	25452.00	18236.00	23830.00	26210.00	12264.00	14889.00	21365.00	13975.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12253.00	1.00	12171.00	11198.00	1.00	1.00	14534.00	12150.00	10182.00	9881.00	25240.00	14123.00
C8 H4 N O7 S2	28085.00	30474.00	1.00	1.00	1.00	1.00	1.00	1.00	10823.00	10657.00	21928.00	22723.00	1.00	1.00	26258.00	25473.00	19991.00	24413.00	1.00	1.00	1.00	1.00	27918.00	27489.00	27302.00	24964.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10223.00	9335.00	21292.00	22197.00	1.00	1.00	1.00	9514.00	1.00	1.00	23407.00	23223.00	12170.00	14437.00	11465.00	10985.00	24961.00	26763.00	1.00	1.00
C8 H5 N O3	1.00	10007.00	10524.00	12157.00	24107.00	26049.00	9979.00	10365.00	1.00	1.00	1.00	1.00	1.00	1.00	14348.00	16416.00	1.00	1.00	11599.00	11746.00	13596.00	15147.00	1.00	1.00	1.00	1.00	1.00	1.00	19056.00	21681.00	1.00	9664.00	15638.00	15450.00	1.00	11549.00	1.00	1.00	1.00	1.00	1.00	1.00	10429.00	10402.00	18410.00	16944.00	1.00	11892.00	1.00	1.00	1.00	1.00	1.00	1.00
Quinacetol	11959.00	12675.00	10846.00	10819.00	14246.00	13897.00	17397.00	14146.00	1.00	10595.00	1.00	1.00	13181.00	14032.00	16756.00	17985.00	15542.00	13872.00	19504.00	21045.00	14258.00	14876.00	24272.00	21474.00	1.00	1.00	12805.00	14418.00	15716.00	17640.00	1.00	11100.00	11824.00	10975.00	10208.00	1.00	15655.00	14889.00	1.00	1.00	9809.00	1.00	1.00	9970.00	18562.00	17233.00	1.00	1.00	12165.00	15395.00	1.00	1.00	1.00	1.00
C6 O12	27772.00	24569.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	9976.00	19104.00	21014.00	1.00	1.00	22190.00	22384.00	18860.00	18584.00	1.00	1.00	1.00	1.00	24531.00	22848.00	21105.00	20342.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	19509.00	19549.00	1.00	1.00	1.00	1.00	1.00	1.00	21821.00	19555.00	10553.00	1.00	1.00	1.00	21583.00	20059.00	1.00	1.00
alpha-Ketoglutaric acid	23579.00	26766.00	11528.00	10452.00	12780.00	12864.00	16589.00	48295.00	17008.00	12484.00	28449.00	25717.00	1.00	1.00	19961.00	18255.00	18581.00	24801.00	25641.00	16312.00	24424.00	13823.00	27411.00	28373.00	30400.00	24264.00	17240.00	11999.00	18753.00	18603.00	1.00	1.00	1.00	9584.00	15207.00	14469.00	16280.00	19501.00	1.00	10289.00	13005.00	1.00	11789.00	1.00	17362.00	13764.00	13257.00	12380.00	19194.00	22172.00	33048.00	33277.00	18167.00	14129.00
Demethylsulochrin	24997.00	26197.00	1.00	1.00	1.00	1.00	1.00	1.00	14500.00	13480.00	21468.00	22894.00	11246.00	10751.00	18060.00	16205.00	21606.00	24322.00	1.00	1.00	1.00	1.00	24223.00	21588.00	22888.00	23302.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13527.00	12734.00	21926.00	22186.00	1.00	1.00	10231.00	10235.00	1.00	1.00	21834.00	21389.00	11382.00	11434.00	12895.00	14013.00	26878.00	25190.00	1.00	1.00
C13 H27 O5 S4	23374.00	24541.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	18720.00	17429.00	1.00	1.00	19356.00	17678.00	18562.00	18974.00	1.00	1.00	1.00	1.00	20698.00	22877.00	21539.00	20417.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	18688.00	19575.00	1.00	1.00	1.00	1.00	1.00	1.00	21909.00	18864.00	1.00	1.00	1.00	1.00	20259.00	19552.00	1.00	1.00
C18 H30 N13 O7	10463.00	9638.00	15141.00	15274.00	1.00	1.00	10465.00	1.00	1.00	1.00	10408.00	1.00	1.00	10874.00	14799.00	13102.00	17937.00	19425.00	12485.00	13044.00	10682.00	10035.00	11388.00	12698.00	1.00	1.00	1.00	1.00	23082.00	21995.00	1.00	1.00	13216.00	12567.00	1.00	1.00	1.00	10664.00	1.00	1.00	1.00	1.00	11232.00	10830.00	12371.00	11892.00	1.00	1.00	9802.00	9939.00	1.00	1.00	1.00	9751.00
D-Fructuronic acid Esi-0.9060001	21385.00	20350.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	19323.00	18366.00	1.00	1.00	17833.00	18783.00	20804.00	21515.00	13702.00	13640.00	1.00	1.00	21412.00	20399.00	18741.00	18370.00	1.00	1.00	1.00	10649.00	13904.00	14300.00	1.00	1.00	1.00	1.00	16377.00	16351.00	1.00	1.00	13928.00	1.00	1.00	1.00	19801.00	21300.00	13289.00	14648.00	1.00	1.00	19371.00	20320.00	1.00	13312.00
C15 H N2 O2	1.00	1.00	12192.00	13754.00	1.00	1.00	9695.00	1.00	1.00	1.00	1.00	1.00	11108.00	11044.00	16752.00	14374.00	1.00	1.00	11956.00	10615.00	1.00	1.00	1.00	1.00	10629.00	1.00	12793.00	15722.00	10246.00	9848.00	17109.00	16116.00	15775.00	17517.00	1.00	1.00	12257.00	1.00	1.00	1.00	10792.00	10488.00	17705.00	19766.00	15615.00	15482.00	21551.00	20173.00	1.00	1.00	12507.00	12638.00	12605.00	13624.00
C18 H4 O S2	23494.00	23942.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	21425.00	19848.00	1.00	1.00	17873.00	20318.00	19165.00	15906.00	1.00	1.00	1.00	1.00	22955.00	20901.00	20901.00	22096.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	23307.00	20799.00	1.00	1.00	1.00	1.00	1.00	1.00	21662.00	21474.00	1.00	1.00	1.00	1.00	20646.00	18113.00	1.00	1.00
4,4'-Biphenyldithiol	1.00	1.00	1.00	1.00	10347.00	1.00	9993.00	10721.00	1.00	10040.00	1.00	1.00	1.00	1.00	14195.00	15230.00	11641.00	11105.00	10030.00	11191.00	12249.00	10903.00	1.00	10162.00	1.00	1.00	10980.00	14697.00	13055.00	12205.00	19936.00	20749.00	15329.00	17134.00	9697.00	10876.00	1.00	1.00	1.00	1.00	1.00	10358.00	1.00	1.00	20579.00	20147.00	13084.00	15134.00	12182.00	12823.00	1.00	1.00	1.00	1.00
Tuliposide B	11207.00	12404.00	12518.00	13664.00	18740.00	17031.00	18204.00	18828.00	1.00	1.00	1.00	1.00	12317.00	11977.00	1.00	1.00	1.00	1.00	14509.00	15275.00	11544.00	10399.00	12641.00	13934.00	1.00	1.00	1.00	1.00	1.00	1.00	9199.00	1.00	18331.00	15582.00	16955.00	17496.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	9930.00	11549.00	11743.00	16751.00	19530.00	1.00	1.00	1.00	1.00
5,6-Dihydroxy-7,8,4'-trimethoxyflavone	1.00	1.00	1.00	1.00	1.00	1.00	11358.00	11646.00	1.00	1.00	1.00	1.00	1.00	1.00	10558.00	10046.00	10862.00	11836.00	12762.00	13276.00	10281.00	1.00	1.00	1.00	1.00	1.00	11894.00	11139.00	18509.00	16821.00	11304.00	11555.00	10643.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11606.00	11737.00	12090.00	13097.00	12796.00	11017.00	10621.00	10243.00	1.00	1.00	1.00	1.00
C11 H2 Cl2 N O9 S4	15839.00	17917.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	15945.00	12147.00	1.00	11254.00	17267.00	16529.00	18817.00	17683.00	1.00	1.00	1.00	1.00	12409.00	19637.00	17984.00	15685.00	1.00	1.00	1.00	1.00	1.00	1.00	10875.00	1.00	11199.00	10366.00	12476.00	10227.00	1.00	1.00	1.00	1.00	1.00	1.00	13324.00	14602.00	1.00	1.00	1.00	1.00	10723.00	10689.00	1.00	1.00
I-Honaucin A	20325.00	20850.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	16733.00	16460.00	1.00	1.00	16181.00	16232.00	13599.00	13102.00	1.00	1.00	1.00	1.00	18007.00	20329.00	15519.00	16858.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	17993.00	16069.00	1.00	1.00	1.00	1.00	1.00	1.00	16089.00	16262.00	1.00	1.00	1.00	1.00	17000.00	17146.00	1.00	1.00
4-Hydroxybenzenesulfonic acid Esi-0.7900004	16856.00	16354.00	1.00	1.00	1.00	1.00	1.00	1.00	10493.00	10668.00	13313.00	14841.00	10454.00	10052.00	18060.00	13104.00	12867.00	13373.00	1.00	1.00	1.00	1.00	15832.00	16757.00	15025.00	17009.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10267.00	11878.00	14664.00	13527.00	1.00	1.00	1.00	9893.00	1.00	1.00	13308.00	14181.00	1.00	9633.00	1.00	9961.00	16124.00	15735.00	1.00	1.00
C6 H4 N O2 S3 Esi-12.980003	1.00	1.00	1.00	178464.00	1.00	150021.00	130421.00	1.00	1.00	102621.00	1.00	89308.00	236367.00	75454.00	213096.00	300881.00	124469.00	122506.00	350068.00	1.00	1.00	1.00	171254.00	1.00	15773.00	1.00	37350.00	1.00	20171.00	1.00	1.00	137966.00	63420.00	90359.00	1.00	97765.00	255505.00	86532.00	1.00	1.00	177278.00	68517.00	46901.00	135255.00	239397.00	217381.00	1.00	1.00	195185.00	287541.00	99729.00	277932.00	268467.00	1.00
C21 H Cl N3 S3	19078.00	20436.00	1.00	1.00	1.00	1.00	1.00	1.00	10861.00	1.00	15539.00	15007.00	1.00	1.00	16916.00	13879.00	13519.00	12422.00	1.00	1.00	1.00	1.00	17001.00	18260.00	15418.00	16257.00	1.00	1.00	1.00	1.00	10886.00	1.00	10782.00	1.00	10169.00	12090.00	15467.00	14904.00	1.00	1.00	1.00	1.00	1.00	1.00	16063.00	17711.00	11000.00	11644.00	1.00	1.00	15204.00	15693.00	1.00	1.00
C5 H Cl3 N3 O7 S	14753.00	17427.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13577.00	16935.00	1.00	1.00	16504.00	14166.00	13199.00	13596.00	1.00	1.00	1.00	1.00	13852.00	13212.00	16627.00	15350.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13273.00	11300.00	1.00	1.00	1.00	1.00	1.00	1.00	13222.00	13622.00	1.00	1.00	1.00	1.00	13035.00	12249.00	1.00	1.00
Zearalenone	14379.00	15002.00	1.00	10626.00	9665.00	9820.00	1.00	1.00	10128.00	1.00	16727.00	16292.00	9670.00	10217.00	16795.00	16485.00	12750.00	11660.00	1.00	10936.00	10396.00	10423.00	13331.00	14060.00	12769.00	11833.00	10735.00	10402.00	11097.00	13282.00	11039.00	1.00	1.00	1.00	9628.00	1.00	12734.00	11343.00	1.00	1.00	9845.00	10015.00	9502.00	9610.00	12313.00	13817.00	9710.00	1.00	1.00	1.00	12360.00	13063.00	9879.00	1.00
C3 H3 Cl O6	49478.00	47991.00	1.00	1.00	1.00	1.00	1.00	1.00	12552.00	11099.00	48035.00	46874.00	1.00	1.00	47382.00	45912.00	39454.00	44496.00	1.00	1.00	1.00	1.00	50770.00	50030.00	44825.00	44080.00	1.00	1.00	1.00	1.00	20668.00	21301.00	1.00	1.00	11132.00	1.00	44510.00	43562.00	1.00	1.00	1.00	1.00	1.00	1.00	44951.00	48610.00	1.00	1.00	10579.00	19338.00	45312.00	41797.00	1.00	1.00
C17 H12 N7 O4	14108.00	17301.00	1.00	1.00	1.00	1.00	1.00	1.00	11553.00	11677.00	11976.00	13964.00	1.00	1.00	8977.00	8871.00	14137.00	14463.00	1.00	1.00	1.00	1.00	14739.00	12427.00	16929.00	15669.00	1.00	10068.00	1.00	1.00	1.00	1.00	1.00	1.00	10096.00	1.00	12213.00	14059.00	1.00	1.00	1.00	1.00	1.00	1.00	12538.00	13623.00	11222.00	12335.00	12495.00	12623.00	17932.00	18576.00	1.00	1.00
C7 H13 N2 O10 S	1.00	1.00	1.00	12813.00	1.00	1.00	13410.00	14107.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12622.00	1.00	1.00	15610.00	14843.00	1.00	1.00	1.00	1.00	13444.00	1.00	14959.00	17111.00	17742.00	18735.00	14952.00	13322.00	1.00	1.00	15062.00	1.00	1.00	13898.00	14084.00	14225.00	15864.00	1.00	16362.00	15750.00	1.00	1.00	1.00	12672.00	17040.00	16172.00	16477.00	17681.00
C14 H2 N2 O13 S2	16411.00	16401.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13060.00	11579.00	1.00	1.00	15357.00	14009.00	11684.00	12461.00	1.00	1.00	1.00	1.00	16244.00	17227.00	13080.00	13909.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	15456.00	14391.00	1.00	1.00	1.00	1.00	1.00	1.00	15748.00	15610.00	1.00	1.00	11367.00	1.00	13326.00	13965.00	1.00	1.00
3-Isopropylcatechol	14078.00	17408.00	14190.00	14973.00	1.00	13997.00	14961.00	16488.00	13704.00	15762.00	13355.00	1.00	1.00	13031.00	14966.00	16474.00	17433.00	15372.00	14617.00	13825.00	12234.00	17097.00	16374.00	16942.00	14112.00	14015.00	17659.00	11323.00	15782.00	1.00	15681.00	17000.00	17592.00	13854.00	14361.00	14909.00	17947.00	13785.00	1.00	13501.00	16335.00	20045.00	15482.00	14311.00	15808.00	14855.00	15900.00	15501.00	14785.00	18909.00	16149.00	13976.00	15968.00	17748.00
Butopyronoxyl Esi-7.7899985	1.00	1.00	54408.00	47657.00	42538.00	1.00	1.00	50317.00	31281.00	34357.00	1.00	1.00	44708.00	61189.00	69768.00	34120.00	60445.00	59627.00	1.00	42440.00	48884.00	36535.00	1.00	1.00	52860.00	54784.00	52348.00	1.00	1.00	1.00	50076.00	57648.00	36942.00	35352.00	35070.00	41005.00	1.00	1.00	1.00	1.00	47613.00	28485.00	1.00	33624.00	43980.00	65075.00	31054.00	1.00	31162.00	1.00	33811.00	33138.00	59692.00	25449.00
C8 H15 Cl N3 O4 S	13696.00	11456.00	1.00	1.00	1.00	1.00	1.00	1.00	9409.00	10444.00	9563.00	14134.00	1.00	1.00	10315.00	11515.00	12214.00	12617.00	1.00	1.00	1.00	1.00	13319.00	11463.00	14027.00	15787.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13403.00	12271.00	1.00	1.00	1.00	1.00	1.00	1.00	11778.00	12042.00	11056.00	1.00	8776.00	9601.00	15965.00	15618.00	1.00	1.00
2-Naphthalenesulfonic acid	1.00	16749.00	17627.00	15741.00	19482.00	16296.00	1.00	18340.00	1.00	1.00	15505.00	15657.00	1.00	1.00	18026.00	15773.00	16040.00	14918.00	17126.00	1.00	1.00	13902.00	1.00	1.00	1.00	16366.00	1.00	1.00	14801.00	14930.00	1.00	1.00	1.00	1.00	14906.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	16695.00	16689.00	1.00	1.00	1.00	13325.00	17352.00	17442.00	14437.00	1.00
C7 H11 N8 O4 S	18525.00	19948.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14761.00	14799.00	1.00	1.00	13274.00	14196.00	16186.00	17509.00	1.00	1.00	1.00	1.00	18183.00	16579.00	15341.00	16768.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14933.00	15466.00	1.00	1.00	1.00	1.00	1.00	1.00	14896.00	15230.00	1.00	1.00	1.00	1.00	16025.00	15394.00	1.00	1.00
C12 H2 O15 S2	14423.00	12425.00	1.00	1.00	11319.00	1.00	1.00	11007.00	10387.00	13069.00	15825.00	13610.00	11650.00	13202.00	15373.00	15435.00	14475.00	15660.00	11774.00	11968.00	11207.00	1.00	11593.00	16796.00	14712.00	14615.00	11465.00	10352.00	11861.00	10889.00	1.00	11910.00	12766.00	12157.00	12292.00	11383.00	14297.00	15409.00	1.00	12257.00	12474.00	11848.00	1.00	10434.00	12160.00	12236.00	12103.00	12731.00	11277.00	12686.00	10918.00	14572.00	11637.00	12105.00
Gemfibrozil, metabolite II Esi-10.179996	1.00	1.00	8803.00	11251.00	1.00	1.00	11949.00	10678.00	8564.00	9236.00	1.00	8321.00	1.00	1.00	1.00	8321.00	1.00	1.00	8331.00	11507.00	10314.00	12537.00	1.00	8332.00	12617.00	1.00	9331.00	1.00	10844.00	10214.00	1.00	10663.00	10937.00	8800.00	1.00	10566.00	1.00	9097.00	1.00	9633.00	9318.00	8955.00	1.00	1.00	1.00	9526.00	9467.00	8562.00	1.00	8495.00	1.00	9406.00	11375.00	9441.00
C16 H4 O17	17969.00	19053.00	1.00	1.00	1.00	1.00	1.00	1.00	14214.00	1.00	17795.00	18455.00	14673.00	1.00	17653.00	17450.00	18641.00	17689.00	1.00	1.00	1.00	13732.00	20229.00	20565.00	18512.00	17946.00	13857.00	13457.00	1.00	1.00	1.00	1.00	14075.00	14427.00	15692.00	15625.00	16365.00	18596.00	1.00	1.00	16087.00	15158.00	1.00	1.00	17656.00	17624.00	13543.00	14089.00	13612.00	13472.00	18648.00	17883.00	1.00	1.00
C54 H93 O	16298.00	18067.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14053.00	15892.00	11726.00	1.00	17312.00	15664.00	15014.00	14360.00	1.00	1.00	1.00	1.00	18183.00	15568.00	15813.00	14867.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10869.00	10682.00	16010.00	13986.00	1.00	1.00	1.00	10194.00	1.00	1.00	1.00	14123.00	1.00	10169.00	1.00	1.00	15314.00	15076.00	1.00	1.00
N-acetyl-2-carboxy Benzenesulfonamide Esi-3.5130002	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10842.00	1.00	12723.00	13197.00	10258.00	10154.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13533.00	13998.00	12531.00	13412.00	11258.00	11451.00	11965.00	10806.00	1.00	1.00	9651.00	1.00	1.00	1.00	1.00	1.00	15810.00	16132.00	13162.00	13545.00	14326.00	13751.00	1.00	1.00	1.00	1.00	11143.00	11177.00
C46 H92 N O	15558.00	19161.00	1.00	10280.00	10459.00	13264.00	12144.00	11046.00	13460.00	13885.00	18460.00	19296.00	12460.00	14369.00	16596.00	18458.00	22602.00	19099.00	1.00	10197.00	12740.00	13445.00	22098.00	20650.00	20095.00	20973.00	14049.00	1.00	1.00	11469.00	14483.00	12442.00	12258.00	12019.00	14181.00	14645.00	16173.00	16775.00	1.00	12995.00	13687.00	14072.00	1.00	12330.00	15727.00	18057.00	1.00	10804.00	10329.00	16540.00	19510.00	18848.00	1.00	12482.00
?-D-Glucose Esi-1.226	11296.00	12916.00	1.00	1.00	10378.00	9394.00	1.00	1.00	9415.00	1.00	16247.00	15522.00	13744.00	11926.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	9345.00	1.00	9596.00	10072.00	1.00	9069.00	1.00	1.00	10860.00	10881.00	1.00	1.00	1.00	1.00	1.00	1.00	12232.00	10242.00	1.00	10317.00	1.00	9531.00	1.00	1.00	10107.00	1.00	9341.00	10210.00	1.00	1.00
N-(6-Oxo-6H-dibenzo[b,d]pyran-3-yl)methanesulfonamide	14997.00	17056.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	9097.00	8992.00	1.00	1.00	12233.00	13016.00	10638.00	10336.00	1.00	1.00	1.00	1.00	16268.00	17239.00	11677.00	10776.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	8816.00	9768.00	1.00	1.00	1.00	1.00	1.00	1.00	11251.00	11265.00	1.00	1.00	1.00	1.00	9944.00	11037.00	1.00	1.00
C17 H6 N7 O S	12775.00	13316.00	1.00	10270.00	1.00	12083.00	1.00	1.00	10874.00	1.00	12475.00	11172.00	1.00	10492.00	11011.00	11226.00	10178.00	9890.00	1.00	1.00	10278.00	10862.00	10502.00	12145.00	10849.00	10856.00	1.00	1.00	1.00	1.00	1.00	11506.00	1.00	1.00	1.00	9836.00	10394.00	1.00	1.00	1.00	11182.00	10299.00	10205.00	10356.00	11355.00	11842.00	1.00	10279.00	1.00	9630.00	11164.00	10520.00	1.00	1.00
C13 H10 N6 O11	1.00	1.00	1.00	1.00	9156.00	1.00	9432.00	9027.00	8830.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11273.00	11167.00	1.00	1.00	11095.00	11031.00	10388.00	10143.00	1.00	1.00	9043.00	1.00	1.00	1.00	10410.00	9261.00	1.00	1.00	14477.00	13328.00	12715.00	11237.00	11307.00	12358.00	1.00	1.00	9294.00	10156.00
C30 H43 N13 O22	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13738.00	15255.00	1.00	1.00	15460.00	15279.00	10801.00	11096.00	1.00	1.00	12024.00	11065.00	13127.00	13261.00	16765.00	15856.00	1.00	1.00	1.00	10617.00	1.00	11770.00	1.00	1.00	1.00	1.00	12771.00	12615.00	1.00	10617.00	10114.00	10847.00	1.00	1.00	13077.00	13209.00	1.00	1.00	1.00	1.00	14996.00	14170.00	10749.00	1.00
C5 H6 N O6 S2	22516.00	22252.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	16809.00	16032.00	1.00	1.00	16228.00	15183.00	11946.00	12908.00	1.00	1.00	1.00	1.00	19295.00	20238.00	14956.00	14821.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	15979.00	16779.00	1.00	1.00	1.00	1.00	1.00	1.00	17947.00	19808.00	1.00	1.00	1.00	1.00	16471.00	17956.00	1.00	1.00
BAY-11-7082	11260.00	12899.00	11710.00	11595.00	9967.00	10733.00	1.00	1.00	1.00	1.00	10647.00	10776.00	13776.00	14566.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13417.00	13551.00	1.00	1.00	10393.00	11219.00	10835.00	12796.00	1.00	1.00	1.00	1.00	1.00	1.00	12695.00	11884.00	1.00	9885.00	13187.00	11085.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C22 H6 N O26 Esi-13.443995	121648.00	105234.00	129964.00	145202.00	122777.00	1.00	108967.00	1.00	75799.00	249200.00	90025.00	99991.00	65906.00	59311.00	116790.00	65271.00	82831.00	92709.00	233399.00	77037.00	1.00	100261.00	102231.00	90454.00	88591.00	88118.00	213057.00	104090.00	1.00	1.00	1.00	1.00	1.00	78423.00	78905.00	126712.00	67562.00	46401.00	1.00	81089.00	27209.00	256838.00	67613.00	72056.00	71079.00	33282.00	1.00	206551.00	1.00	58371.00	92640.00	75297.00	1.00	152844.00
C11 H2 N O8 S2	12199.00	11404.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13419.00	12959.00	1.00	1.00	12160.00	12404.00	11442.00	12501.00	1.00	1.00	1.00	1.00	14034.00	12540.00	12952.00	15020.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	15437.00	13942.00	1.00	1.00	1.00	1.00	1.00	1.00	12438.00	12611.00	1.00	1.00	1.00	1.00	12829.00	11983.00	1.00	1.00
C14 H2 Cl N2	12052.00	15280.00	1.00	1.00	1.00	1.00	1.00	1.00	13943.00	13903.00	17991.00	15399.00	1.00	1.00	1.00	1.00	20149.00	18325.00	1.00	1.00	11355.00	1.00	11594.00	12762.00	13955.00	13905.00	1.00	1.00	11669.00	1.00	11273.00	1.00	13563.00	13542.00	12564.00	11085.00	12221.00	12373.00	1.00	11669.00	13127.00	11481.00	1.00	11347.00	15889.00	16137.00	12603.00	13419.00	14117.00	13846.00	15534.00	14309.00	1.00	1.00
C35 H55 N24 O	8964.00	11113.00	11123.00	13040.00	13320.00	12764.00	11031.00	13020.00	11405.00	8868.00	11030.00	13636.00	10274.00	10050.00	9996.00	11215.00	13806.00	10242.00	11536.00	12736.00	10989.00	11312.00	9209.00	12672.00	9357.00	9370.00	11688.00	12467.00	12562.00	9131.00	10673.00	10935.00	10260.00	12980.00	12887.00	12232.00	11933.00	12244.00	1.00	12827.00	1.00	11821.00	13361.00	11063.00	10785.00	9666.00	9311.00	12103.00	12574.00	13685.00	11366.00	11842.00	10377.00	11836.00
C29 H63 N30 O5	13901.00	13705.00	1.00	1.00	9199.00	1.00	1.00	1.00	1.00	10535.00	12382.00	13851.00	9255.00	10050.00	12801.00	12018.00	13409.00	13469.00	1.00	1.00	9293.00	1.00	14897.00	14570.00	13200.00	10374.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10062.00	1.00	10517.00	10054.00	11931.00	1.00	9984.00	10972.00	1.00	1.00	1.00	11483.00	14511.00	1.00	9509.00	9907.00	1.00	14481.00	13297.00	1.00	1.00
2-Iodophenol Esi-13.287998	43529.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	31146.00	1.00	48332.00	1.00	1.00	1.00	36393.00	1.00	1.00	1.00	1.00	1.00	1.00	30655.00	1.00	153966.00	17007.00	39363.00	1.00	1.00	1.00	47420.00	1.00	46700.00	1.00	18230.00	38107.00	1.00	1.00	38873.00	1.00	1.00	1.00	1.00	245705.00	1.00	1.00	1.00
3-oxo-adipic acid	29549.00	22612.00	1.00	1.00	1.00	1.00	13937.00	31343.00	1.00	1.00	1.00	30516.00	1.00	25257.00	26013.00	1.00	30606.00	29157.00	1.00	1.00	25009.00	1.00	23076.00	29965.00	26208.00	27415.00	1.00	1.00	21180.00	23326.00	21104.00	1.00	1.00	1.00	24862.00	1.00	1.00	16566.00	1.00	1.00	13310.00	1.00	1.00	1.00	1.00	31838.00	24068.00	1.00	1.00	1.00	16414.00	31870.00	1.00	1.00
C14 H4 N5	10992.00	9794.00	10699.00	12448.00	10418.00	11245.00	13061.00	10474.00	1.00	10009.00	1.00	1.00	1.00	1.00	1.00	9648.00	1.00	1.00	1.00	1.00	10681.00	11743.00	1.00	1.00	1.00	1.00	1.00	1.00	10430.00	1.00	11235.00	13860.00	9752.00	10437.00	9994.00	10705.00	9384.00	1.00	1.00	1.00	13207.00	12471.00	10375.00	10045.00	1.00	9860.00	1.00	1.00	1.00	10049.00	1.00	11462.00	10518.00	11767.00
C15 H8 N2 O S5	13467.00	13774.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12791.00	12520.00	1.00	1.00	13198.00	14521.00	1.00	12041.00	1.00	1.00	1.00	1.00	13811.00	14278.00	12735.00	13261.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12539.00	12090.00	1.00	1.00	1.00	1.00	1.00	1.00	13446.00	12083.00	1.00	12471.00	1.00	1.00	14083.00	1.00	1.00	1.00
C7 H11 O10	10964.00	9816.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13818.00	13022.00	11112.00	13580.00	1.00	10037.00	10748.00	10880.00	1.00	1.00	1.00	1.00	1.00	1.00	12042.00	12503.00	12740.00	11811.00	11392.00	12917.00	9937.00	1.00	13040.00	12893.00	1.00	1.00	10607.00	10519.00	1.00	1.00	10967.00	11718.00	11465.00	1.00	1.00	10872.00	1.00	1.00	1.00	1.00	9745.00	11319.00	1.00	9723.00
C37 H59 N25 O3	11718.00	15778.00	1.00	1.00	1.00	1.00	10201.00	1.00	10571.00	12442.00	9794.00	13235.00	9798.00	10326.00	13753.00	15018.00	15512.00	11402.00	9695.00	9701.00	1.00	10279.00	12912.00	10683.00	14856.00	14112.00	10716.00	1.00	10221.00	1.00	10876.00	1.00	9110.00	11574.00	10662.00	9526.00	13492.00	16099.00	1.00	9106.00	9849.00	10996.00	10918.00	1.00	13879.00	12037.00	9290.00	14686.00	12232.00	1.00	14909.00	13721.00	9918.00	1.00
C45 H77 N14 O3	16680.00	15361.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12473.00	13835.00	1.00	1.00	14129.00	14446.00	12975.00	11278.00	1.00	1.00	1.00	1.00	12768.00	13788.00	13365.00	15798.00	1.00	1.00	1.00	1.00	1.00	1.00	9183.00	1.00	1.00	1.00	12169.00	10321.00	1.00	1.00	1.00	1.00	1.00	1.00	11830.00	11670.00	1.00	1.00	1.00	1.00	13636.00	13137.00	1.00	1.00
C48 H93 N2	12632.00	14284.00	1.00	1.00	1.00	805.00	1.00	1.00	3143.00	3063.00	12003.00	9807.00	1.00	1.00	13040.00	10896.00	9646.00	11169.00	1.00	1.00	1.00	1.00	14647.00	13297.00	13360.00	13909.00	1.00	1.00	1.00	1.00	1.00	3899.00	1.00	1.00	4455.00	1.00	12388.00	10268.00	1.00	1.00	2444.00	1.00	1.00	3046.00	11572.00	9083.00	1.00	4109.00	1.00	3479.00	11854.00	9579.00	1.00	700.00
C50 H91 O	13247.00	11936.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13138.00	12115.00	1.00	9598.00	13027.00	13551.00	12255.00	12020.00	1.00	1.00	1.00	1.00	13503.00	12245.00	11776.00	14242.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12319.00	11847.00	1.00	1.00	1.00	1.00	1.00	1.00	13508.00	11854.00	1.00	1.00	9661.00	10322.00	13487.00	12656.00	1.00	1.00
Permethrin	13550.00	14017.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11776.00	10594.00	1.00	1.00	10967.00	10290.00	11069.00	12159.00	1.00	1.00	1.00	1.00	14148.00	13751.00	13101.00	12361.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10562.00	12210.00	1.00	1.00	1.00	1.00	1.00	1.00	11327.00	11979.00	1.00	1.00	1.00	1.00	12477.00	11348.00	1.00	1.00
C50 H95 O	14166.00	11926.00	1.00	1.00	1.00	1.00	1.00	1.00	9844.00	1.00	10196.00	1.00	1.00	1.00	11806.00	12137.00	10572.00	10083.00	1.00	1.00	1.00	1.00	12312.00	12941.00	11563.00	9531.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10489.00	1.00	10121.00	10242.00	1.00	1.00	1.00	1.00	1.00	1.00	12432.00	11170.00	1.00	10004.00	1.00	1.00	12578.00	11676.00	1.00	1.00
C29 H61 N20	1.00	1.00	9572.00	8967.00	10432.00	9506.00	1.00	8554.00	9911.00	1.00	8961.00	9505.00	9158.00	10439.00	8707.00	9016.00	1.00	8726.00	8896.00	9832.00	9922.00	10159.00	8690.00	1.00	1.00	8547.00	10548.00	10978.00	8990.00	9901.00	9682.00	9281.00	8889.00	11633.00	9251.00	9879.00	1.00	9896.00	1.00	10068.00	9319.00	9883.00	10133.00	9853.00	1.00	8695.00	1.00	10449.00	8903.00	9356.00	9283.00	1.00	10672.00	8819.00
3-o-Ethyl-L-ascorbic acid	1.00	1.00	10490.00	1.00	10323.00	11286.00	1.00	1.00	10440.00	10910.00	1.00	8955.00	1.00	10177.00	1.00	1.00	1.00	1.00	1.00	1.00	9488.00	1.00	1.00	1.00	1.00	9524.00	10132.00	10193.00	13088.00	15159.00	11480.00	10398.00	13347.00	12804.00	1.00	11331.00	12592.00	12820.00	1.00	9740.00	10541.00	13392.00	10181.00	10736.00	13495.00	12655.00	10496.00	9656.00	12349.00	12147.00	1.00	1.00	11982.00	11871.00
C12 H26 Cl N2 O10 S	11996.00	13651.00	269.00	1.00	1.00	1.00	1.00	1.00	3480.00	3877.00	11247.00	7957.00	1.00	1.00	8581.00	8990.00	9857.00	10777.00	1.00	1.00	1.00	1.00	12793.00	11212.00	12679.00	11788.00	1.00	333.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	9239.00	9798.00	1.00	1.00	1.00	1.00	1.00	1.00	10171.00	7994.00	1.00	1.00	3378.00	3101.00	10503.00	11259.00	1.00	1.00
C6 H Cl3 N3 O2	12837.00	12301.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14109.00	1.00	1.00	11883.00	12437.00	1.00	1.00	1.00	1.00	1.00	1.00	14364.00	12912.00	12783.00	14414.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12878.00	13931.00	1.00	1.00	1.00	1.00	1.00	1.00	13244.00	13412.00	1.00	1.00	1.00	1.00	1.00	12675.00	1.00	1.00
C29 H47 N9 O26	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13738.00	10869.00	1.00	1.00	12309.00	11879.00	10801.00	11096.00	1.00	1.00	12024.00	11065.00	9844.00	10162.00	12367.00	13206.00	1.00	1.00	1.00	10617.00	1.00	11770.00	1.00	1.00	1.00	1.00	12771.00	12615.00	1.00	10617.00	10114.00	10847.00	1.00	1.00	10619.00	13209.00	1.00	1.00	1.00	1.00	10368.00	11751.00	10749.00	1.00
C46 H89 N O3	24368.00	22887.00	1.00	1.00	1.00	1.00	1.00	1.00	11816.00	10238.00	19964.00	17880.00	1.00	1.00	21445.00	20431.00	20758.00	22003.00	1.00	1.00	10907.00	1.00	24215.00	22704.00	21070.00	21412.00	1.00	1.00	1.00	1.00	1.00	10810.00	1.00	10413.00	1.00	11453.00	21126.00	20159.00	1.00	1.00	1.00	10329.00	1.00	1.00	20121.00	20637.00	1.00	1.00	11375.00	1.00	17382.00	21526.00	1.00	10366.00
C33 H70 Cl3 N19 O	10735.00	1.00	1.00	1.00	9218.00	10366.00	10211.00	9758.00	9557.00	8517.00	11462.00	9519.00	1.00	1.00	12550.00	10143.00	9775.00	12838.00	1.00	1.00	12544.00	10309.00	11791.00	10877.00	12753.00	10457.00	10949.00	9802.00	10578.00	9629.00	10352.00	13172.00	8774.00	8767.00	10031.00	9822.00	11941.00	11770.00	1.00	9565.00	10242.00	10980.00	11615.00	8811.00	10760.00	11350.00	10063.00	10284.00	10823.00	13076.00	12252.00	9078.00	9870.00	11727.00
Prekinamycin	1.00	10560.00	10719.00	10939.00	10699.00	10620.00	13004.00	10931.00	11670.00	1.00	9430.00	1.00	1.00	1.00	9886.00	1.00	1.00	1.00	1.00	1.00	11120.00	10966.00	10157.00	1.00	10040.00	10091.00	10673.00	1.00	11926.00	9970.00	9751.00	1.00	1.00	1.00	1.00	9924.00	9555.00	1.00	1.00	1.00	12453.00	12429.00	10497.00	1.00	9667.00	10460.00	1.00	1.00	1.00	1.00	1.00	1.00	9435.00	10472.00
C12 H9 N3 O6 S	10952.00	9685.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12100.00	12454.00	12588.00	1.00	1.00	1.00	10701.00	13608.00	1.00	1.00	1.00	9955.00	10161.00	1.00	11164.00	12100.00	11120.00	12271.00	12860.00	12372.00	1.00	9930.00	1.00	11643.00	1.00	1.00	10867.00	10131.00	1.00	1.00	10965.00	11925.00	10751.00	1.00	11585.00	10385.00	10035.00	1.00	11317.00	9843.00	10229.00	12197.00	1.00	10084.00
C13 H4 N O14	9277.00	9962.00	1.00	1.00	1.00	1.00	1.00	9957.00	1.00	1.00	10468.00	12222.00	9804.00	9543.00	11696.00	12052.00	9897.00	8856.00	1.00	9791.00	1.00	1.00	12346.00	11334.00	10534.00	9204.00	1.00	1.00	9572.00	10260.00	1.00	9863.00	1.00	1.00	1.00	1.00	9998.00	11076.00	1.00	9755.00	9602.00	10143.00	1.00	9742.00	10615.00	10609.00	1.00	1.00	9774.00	9553.00	10836.00	10891.00	1.00	10259.00
C46 H87 N5 O6	13065.00	12740.00	1.00	1.00	1.00	1.00	1.00	1.00	10160.00	1.00	10565.00	12260.00	1.00	1.00	11924.00	13168.00	12359.00	13610.00	1.00	1.00	1.00	1.00	13435.00	14296.00	13308.00	14244.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10394.00	11171.00	11852.00	13468.00	1.00	1.00	9608.00	9516.00	9725.00	1.00	12264.00	11894.00	1.00	1.00	9741.00	11140.00	11260.00	13478.00	1.00	1.00
C49 H69 N8	9044.00	9099.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	9525.00	1.00	1.00	10163.00	10237.00	8976.00	8880.00	1.00	1.00	9241.00	1.00	11428.00	8894.00	1.00	9634.00	1.00	9372.00	1.00	8824.00	1.00	1.00	1.00	8879.00	1.00	8772.00	8823.00	1.00	1.00	1.00	1.00	10398.00	1.00	1.00	1.00	8947.00	9109.00	1.00	8931.00	10232.00	11335.00	9977.00	10075.00	1.00
C36 H71 N24 O	11410.00	12175.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12969.00	14551.00	1.00	1.00	15508.00	13516.00	14668.00	10736.00	1.00	1.00	1.00	1.00	15517.00	15806.00	12408.00	15874.00	1.00	9161.00	1.00	1.00	1.00	10028.00	9409.00	9145.00	1.00	1.00	13744.00	9673.00	1.00	9005.00	8920.00	1.00	1.00	1.00	12767.00	13694.00	8779.00	1.00	11058.00	10188.00	11182.00	15138.00	1.00	1.00
2-Iodophenol Esi-4.4349995	1.00	190954.00	1.00	1.00	1.00	185094.00	83387.00	46751.00	35620.00	1.00	255945.00	235130.00	1.00	203600.00	184764.00	1.00	1.00	236641.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	65881.00	37442.00	1.00	1.00	1.00	1.00	257878.00	1.00	39836.00	1.00	1.00	25353.00	1.00	1.00	217509.00	245683.00	1.00	152339.00	1.00	163605.00	68119.00	1.00	1.00	64742.00	117746.00	1.00
Hymenoxon Esi-7.8647904	25767.00	1.00	51766.00	11199.00	15648.00	1.00	15303.00	1.00	36647.00	16899.00	45878.00	1.00	18222.00	61104.00	42672.00	13130.00	49364.00	100973.00	18064.00	16733.00	29440.00	17642.00	1.00	1.00	70511.00	47480.00	26704.00	16501.00	54041.00	31834.00	59602.00	15322.00	16242.00	16699.00	188650.00	16730.00	20276.00	27767.00	1.00	24603.00	48308.00	15783.00	48576.00	20483.00	1.00	55717.00	18362.00	18654.00	12996.00	1.00	16470.00	16853.00	51822.00	19989.00
C50 H79 N3	11049.00	10147.00	1.00	1.00	10355.00	9126.00	9423.00	10671.00	9675.00	9474.00	10869.00	11044.00	10578.00	10792.00	12485.00	13267.00	13439.00	11215.00	9834.00	9810.00	10779.00	9246.00	12293.00	11509.00	13153.00	12297.00	9716.00	10825.00	10495.00	9709.00	1.00	10592.00	9795.00	10117.00	10044.00	10643.00	12634.00	10752.00	1.00	9728.00	9924.00	1.00	9990.00	9186.00	11587.00	12636.00	9876.00	1.00	9855.00	9828.00	11667.00	12038.00	10144.00	9408.00
C39 H82 N6 O S	9473.00	9222.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	8930.00	9341.00	1.00	1.00	11086.00	10127.00	12377.00	10481.00	1.00	1.00	9849.00	1.00	10194.00	1.00	11014.00	11563.00	1.00	8832.00	1.00	1.00	1.00	1.00	8737.00	1.00	1.00	11104.00	8984.00	10133.00	1.00	1.00	1.00	9438.00	1.00	1.00	8814.00	10831.00	9245.00	1.00	1.00	1.00	10487.00	10182.00	1.00	1.00
C6 H4 N O2 S3 Esi-13.641	1.00	1.00	1.00	1.00	1.00	1.00	1.00	22148.00	39240.00	1.00	1.00	1.00	1.00	41075.00	42768.00	1.00	31349.00	33399.00	22330.00	1.00	1.00	1.00	1.00	1.00	1.00	29104.00	1.00	1.00	1.00	1.00	40707.00	1.00	23578.00	1.00	18296.00	27994.00	1.00	40458.00	1.00	1.00	35754.00	17730.00	1.00	31619.00	1.00	35326.00	53662.00	1.00	22310.00	40497.00	1.00	46342.00	1.00	93680.00
C21 H38 N7 O3 Esi-11.93788	9896.00	10162.00	1.00	14686.00	1.00	1.00	1.00	1.00	11245.00	11775.00	10722.00	10499.00	1.00	20448.00	17004.00	15534.00	24168.00	24520.00	1.00	1.00	1.00	18232.00	10968.00	10865.00	15124.00	17170.00	1.00	14247.00	1.00	1.00	23799.00	1.00	1.00	1.00	15014.00	1.00	10983.00	12623.00	1.00	1.00	1.00	1.00	1.00	14286.00	12391.00	10172.00	1.00	1.00	12812.00	9975.00	15979.00	12735.00	1.00	1.00
Adenosine	54195.00	55818.00	267145.00	263453.00	51905.00	55287.00	496875.00	494104.00	35888.00	38410.00	113276.00	119226.00	35055.00	40170.00	47222.00	45902.00	1.00	1.00	49479.00	50003.00	1.00	1.00	36019.00	16374.00	1.00	1.00	1.00	1.00	1.00	1.00	14490.00	14494.00	1.00	1.00	1.00	1.00	1.00	16869.00	1.00	1.00	1.00	1.00	66881.00	57759.00	1.00	1.00	159795.00	149697.00	40116.00	40906.00	53490.00	51820.00	31203.00	33425.00
Adenosine Esi-2.988999	46824.00	51398.00	242636.00	240851.00	44772.00	43076.00	466362.00	454692.00	34058.00	32809.00	106219.00	107593.00	32319.00	35129.00	41663.00	39656.00	1.00	1.00	44697.00	42424.00	1.00	1.00	36019.00	16374.00	1.00	1.00	1.00	1.00	1.00	1.00	14490.00	14792.00	1.00	1.00	1.00	1.00	1.00	16869.00	1.00	1.00	1.00	1.00	55014.00	49291.00	1.00	1.00	122519.00	127147.00	34674.00	34842.00	48614.00	50469.00	31527.00	33897.00
C34 H45 N24 O5	24523.00	26546.00	1.00	1.00	32520.00	30724.00	52633.00	53352.00	1.00	1.00	1.00	1.00	1.00	1.00	286308.00	291296.00	1.00	1.00	226863.00	247006.00	1.00	1.00	43805.00	44670.00	1.00	1.00	1.00	1.00	28346.00	26166.00	1.00	1.00	10908.00	13129.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	43526.00	41787.00	1.00	1.00	388971.00	387871.00	155262.00	152726.00	1.00	1.00	1.00	1.00
C26 H14 O30 S2	15482.00	14913.00	1.00	1.00	18983.00	18932.00	33629.00	34573.00	1.00	1.00	1.00	1.00	1.00	1.00	174920.00	179679.00	1.00	1.00	137359.00	148234.00	1.00	1.00	27147.00	27253.00	1.00	1.00	1.00	1.00	18038.00	16665.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	24985.00	26422.00	1.00	1.00	237036.00	237054.00	95354.00	94921.00	1.00	1.00	1.00	1.00
C23 H51 N15 O13	1.00	1.00	1.00	1.00	1.00	1.00	1.00	9218.00	1.00	1.00	1.00	1.00	1.00	1.00	121289.00	120545.00	1.00	1.00	126129.00	130356.00	1.00	1.00	11332.00	12141.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12076.00	9717.00	1.00	1.00	225425.00	223203.00	61921.00	63949.00	1.00	1.00	1.00	1.00
C26 H2 O27	1.00	1.00	1.00	1.00	1.00	1.00	5331.00	5296.00	1.00	1.00	1.00	1.00	1.00	1.00	68463.00	68402.00	1.00	1.00	72289.00	75166.00	1.00	1.00	6337.00	7123.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	6504.00	7531.00	1.00	1.00	129346.00	124964.00	35543.00	33054.00	1.00	1.00	1.00	1.00
Sucrose	1.00	1.00	37158.00	35872.00	73669.00	70888.00	110188.00	104454.00	1.00	1.00	1.00	1.00	1.00	1.00	115224.00	118395.00	11224.00	11689.00	39761.00	40507.00	64933.00	65068.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	78408.00	83436.00	97332.00	101858.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	76546.00	75850.00	61385.00	60268.00	1.00	1.00	1.00	1.00
C9 H4 N O10 S Esi-13.755002	1.00	1.00	16350.00	1.00	18508.00	17536.00	19245.00	33019.00	1.00	12794.00	1.00	1.00	20470.00	1.00	1.00	1.00	1.00	1.00	18394.00	15561.00	19438.00	1.00	1.00	1.00	1.00	1.00	22539.00	1.00	21806.00	32109.00	1.00	17685.00	19646.00	1.00	1.00	30845.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	16636.00	11001.00
C46 H81 N3 O7 S2	1.00	1.00	75009.00	46926.00	11629.00	128614.00	105854.00	106798.00	79209.00	77265.00	1.00	1.00	109780.00	54928.00	1.00	1.00	1.00	1.00	156446.00	69416.00	93320.00	1.00	1.00	1.00	1.00	1.00	93636.00	41475.00	55354.00	191517.00	63541.00	151318.00	140977.00	53530.00	38262.00	111265.00	1.00	1.00	1.00	51717.00	1.00	1.00	45809.00	1.00	1.00	1.00	1.00	1.00	65640.00	43439.00	36380.00	1.00	10108.00	66121.00
Glycocholic Acid	1.00	1.00	9692.00	9860.00	1.00	1.00	26506.00	25770.00	1.00	1.00	82784.00	78490.00	12264.00	13045.00	22729.00	22787.00	61396.00	60322.00	22740.00	26377.00	17156.00	14592.00	1.00	1.00	25344.00	24904.00	1.00	1.00	71760.00	72241.00	1.00	1.00	17243.00	17082.00	1.00	1.00	14023.00	15593.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C29 H44 N3 O3	1.00	1.00	1.00	1.00	1.00	79489.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	39699.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	42141.00	1.00	129685.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	92591.00	1.00	1.00
Phytuberin Esi-11.609998	1.00	1.00	22963.00	14572.00	1.00	16368.00	18443.00	1.00	20152.00	1.00	1.00	1.00	17524.00	12268.00	1.00	1.00	1.00	1.00	1.00	21074.00	20175.00	11232.00	1.00	1.00	10202.00	1.00	1.00	18214.00	1.00	1.00	20526.00	1.00	30341.00	10536.00	1.00	22548.00	1.00	1.00	1.00	15174.00	20761.00	1.00	23877.00	11282.00	1.00	1.00	1.00	1.00	8510.00	9513.00	10398.00	1.00	1.00	18418.00
C46 H81 N3 O7 S2 Esi-12.895997	1.00	1.00	61090.00	46923.00	11629.00	128614.00	105854.00	106798.00	79209.00	77248.00	1.00	1.00	109413.00	54926.00	1.00	1.00	1.00	1.00	155546.00	69416.00	68136.00	1.00	1.00	1.00	1.00	1.00	98023.00	43328.00	55325.00	190240.00	63541.00	123461.00	140977.00	53525.00	38262.00	111248.00	1.00	1.00	1.00	51717.00	1.00	1.00	45809.00	1.00	1.00	1.00	1.00	1.00	65640.00	43439.00	36380.00	1.00	10108.00	67500.00
Phytuberin Esi-11.608999	1.00	1.00	20654.00	14501.00	1.00	16368.00	19846.00	1.00	21625.00	1.00	1.00	1.00	17524.00	12268.00	1.00	1.00	1.00	1.00	22415.00	21074.00	20175.00	11232.00	1.00	1.00	9783.00	1.00	29195.00	17538.00	1.00	1.00	20526.00	1.00	30416.00	10809.00	1.00	23546.00	1.00	1.00	1.00	15174.00	20761.00	1.00	24768.00	23804.00	1.00	1.00	1.00	1.00	1.00	9866.00	11198.00	1.00	1.00	17286.00
C13 H8 N6 O4 S	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14773.00	15275.00	1.00	1.00	23409.00	26159.00	22006.00	25382.00	21217.00	21053.00	1.00	1.00	1.00	1.00	11324.00	9931.00	9819.00	10725.00	11832.00	11611.00	1.00	1.00	17184.00	15738.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11556.00	10038.00	1.00	1.00	18843.00	20553.00	1.00	1.00
C3 H2 N2 O4 S Esi-1.0699998	53493.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	28044.00	1.00	48204.00	29805.00	33334.00	1.00	32099.00	52418.00	43740.00	1.00	22362.00	29460.00	1.00	46146.00	55797.00	41180.00	41361.00	1.00	1.00	26678.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	37098.00	1.00	1.00	1.00	1.00	1.00	1.00	23977.00	1.00	1.00	1.00	1.00	23984.00	36513.00	24799.00	1.00	1.00
C35 H76 Cl N4 O S	1.00	1.00	12065.00	11933.00	11346.00	8780.00	8486.00	1.00	1.00	8754.00	1.00	1.00	9947.00	9523.00	1.00	1.00	1.00	9913.00	10210.00	13650.00	11147.00	1.00	1.00	1.00	1.00	1.00	9772.00	1.00	10684.00	11550.00	11151.00	1.00	9855.00	10155.00	10642.00	7414.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10047.00	1.00	39485.00	23641.00	1.00	1.00	1.00	1.00	11200.00	12782.00
2-Iodophenol Esi-1.1829998	1.00	1.00	1.00	1.00	1.00	1.00	1.00	23794.00	1.00	1.00	1.00	1.00	1.00	57939.00	1.00	1.00	38272.00	1.00	1.00	725877.00	1.00	1.00	1.00	1.00	69572.00	118394.00	35845.00	1.00	1.00	1.00	37371.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	36935.00	1.00	1.00	34289.00	34028.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	30513.00	33105.00	1.00
Sulfoglycolithocholate	1.00	1.00	13636.00	15217.00	1.00	1.00	28394.00	24945.00	17483.00	17952.00	1.00	1.00	1.00	1.00	25071.00	27795.00	34214.00	34209.00	21382.00	31131.00	23329.00	24339.00	24028.00	26155.00	1.00	1.00	1.00	1.00	25966.00	25162.00	1.00	1.00	17940.00	18939.00	1.00	1.00	1.00	12630.00	1.00	12007.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C45 H47 N3 O23	1.00	1.00	13627.00	12021.00	1.00	1.00	11108.00	1.00	9932.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	9755.00	10260.00	11440.00	1.00	1.00	1.00	1.00	1.00	12768.00	10990.00	12693.00	12755.00	1.00	1.00	11912.00	11212.00	1.00	1.00	1.00	1.00	1.00	10176.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10244.00	1.00
Hymenoxon Esi-7.735998	1.00	1.00	1.00	37063.00	1.00	1.00	1.00	1.00	1.00	18530.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	20297.00	19235.00	32977.00	1.00	1.00	1.00	1.00	1.00	27695.00	28184.00	1.00	1.00	1.00	71555.00	24877.00	21000.00	1.00	34484.00	1.00	1.00	1.00	32744.00	1.00	70095.00	1.00	65769.00	1.00	1.00	17675.00	25224.00	28252.00	1.00	28504.00	32183.00	1.00	24595.00
C39 H83 N2 O15 S	1.00	1.00	75009.00	21410.00	11632.00	123782.00	102469.00	122207.00	79209.00	76511.00	1.00	1.00	109473.00	55110.00	1.00	1.00	1.00	1.00	143415.00	69489.00	88571.00	1.00	1.00	1.00	1.00	1.00	97203.00	41443.00	55994.00	189847.00	59929.00	127542.00	140977.00	49244.00	39093.00	109796.00	1.00	1.00	1.00	51426.00	1.00	1.00	43192.00	1.00	1.00	1.00	1.00	1.00	56929.00	43439.00	36334.00	1.00	9708.00	64241.00
5-Hydroxymethyl-2-furaldehyde Esi-3.9830012	1.00	1.00	1.00	1.00	12344.00	20643.00	1.00	14485.00	17710.00	12291.00	1.00	1.00	1.00	1.00	9646.00	1.00	10834.00	1.00	21506.00	20132.00	1.00	1.00	11207.00	17842.00	1.00	1.00	11765.00	11302.00	1.00	18668.00	13001.00	10222.00	20725.00	9062.00	10787.00	11990.00	1.00	1.00	1.00	10546.00	10738.00	1.00	1.00	1.00	1.00	1.00	13575.00	11175.00	19563.00	22537.00	1.00	16737.00	9917.00	10814.00
C15 H16 N5 O8 S	1.00	1.00	10885.00	10581.00	15130.00	14159.00	12379.00	12143.00	10717.00	9281.00	9503.00	9867.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	9275.00	1.00	10132.00	1.00	1.00	1.00	1.00	9761.00	9891.00	1.00	1.00	1.00	1.00	9829.00	10388.00	11001.00	9812.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13703.00	11252.00	12039.00	12198.00	1.00	9057.00	9571.00	1.00
C23 H37 O3	16387.00	1.00	15639.00	19837.00	16187.00	23283.00	21233.00	1.00	23229.00	20175.00	1.00	17779.00	26769.00	26047.00	1.00	17610.00	1.00	17291.00	1.00	17309.00	1.00	20244.00	16677.00	1.00	1.00	20751.00	1.00	24960.00	1.00	1.00	21330.00	1.00	33571.00	1.00	1.00	25898.00	1.00	1.00	1.00	1.00	16745.00	18838.00	1.00	17846.00	1.00	1.00	1.00	1.00	1.00	1.00	15909.00	16864.00	1.00	19271.00
C15 H20 N11 O9	13034.00	12657.00	12108.00	12548.00	13348.00	13270.00	11001.00	11950.00	12656.00	11414.00	12879.00	11677.00	1.00	12060.00	12765.00	1.00	12882.00	12088.00	11655.00	12327.00	12612.00	1.00	13069.00	11435.00	10573.00	10680.00	11790.00	11980.00	11440.00	10951.00	12581.00	11102.00	1.00	12084.00	12031.00	1.00	1.00	10996.00	1.00	1.00	10616.00	11410.00	1.00	11476.00	11634.00	1.00	11401.00	11943.00	1.00	1.00	11320.00	1.00	1.00	11574.00
C6 H4 N O2 S3 Esi-13.252002	43912.00	89789.00	1.00	1.00	34215.00	1.00	43910.00	1.00	1.00	1.00	1.00	1.00	1.00	67574.00	1.00	1.00	68873.00	1.00	1.00	21878.00	1.00	35023.00	1.00	1.00	1.00	1.00	178453.00	1.00	1.00	35453.00	22287.00	43975.00	51514.00	47839.00	1.00	1.00	1.00	55786.00	1.00	1.00	63716.00	62210.00	55624.00	43631.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
2-Butanone, 4-[6-(sulfooxy)-2-naphthalenyl]-	1.00	1.00	1.00	1.00	1.00	1.00	10187.00	10354.00	1.00	1.00	12296.00	11302.00	1.00	1.00	12329.00	10758.00	1.00	1.00	9954.00	12095.00	1.00	1.00	1.00	1.00	9694.00	1.00	10124.00	11083.00	1.00	1.00	1.00	1.00	9471.00	1.00	10754.00	10266.00	9890.00	9916.00	1.00	9418.00	1.00	9780.00	1.00	1.00	1.00	1.00	1.00	1.00	11159.00	11429.00	10782.00	10077.00	12601.00	10063.00
C28 H61 N17	1.00	1.00	11781.00	10989.00	1.00	8387.00	8084.00	1.00	1.00	8572.00	1.00	1.00	9947.00	9043.00	1.00	1.00	1.00	9913.00	10210.00	12912.00	10768.00	1.00	1.00	1.00	1.00	1.00	9772.00	1.00	9810.00	11550.00	11151.00	1.00	9855.00	9232.00	10642.00	8188.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10047.00	1.00	39510.00	23830.00	1.00	1.00	1.00	1.00	11200.00	1.00
3,7-Dimethyl-2Z,6-octadienyl acetate	10392.00	1.00	10679.00	1.00	1.00	10707.00	1.00	11339.00	1.00	1.00	11050.00	13374.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11838.00	1.00	1.00	1.00	1.00	13094.00	12003.00	1.00	11045.00	1.00	1.00	1.00	1.00	1.00	10339.00	12152.00	11738.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11439.00	1.00	1.00	1.00	1.00	11288.00	10967.00	10665.00	1.00	11256.00	1.00
C6 H4 N O2 S3 Esi-12.623997	1.00	1.00	100115.00	1.00	1.00	43573.00	1.00	1.00	1.00	54881.00	1.00	1.00	75876.00	1.00	68502.00	1.00	87547.00	1.00	1.00	22312.00	1.00	54806.00	1.00	1.00	1.00	1.00	125951.00	165185.00	1.00	1.00	130720.00	1.00	36544.00	41612.00	176288.00	102596.00	1.00	1.00	1.00	41912.00	1.00	1.00	107916.00	41295.00	106764.00	1.00	1.00	1.00	30774.00	116788.00	1.00	1.00	1.00	1.00
C20 H42 N3 O7 Esi-12.026	1.00	1.00	1.00	11434.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	9843.00	1.00	17238.00	13889.00	13999.00	20247.00	19446.00	1.00	1.00	1.00	14419.00	1.00	1.00	12965.00	12859.00	1.00	11494.00	1.00	1.00	19230.00	1.00	1.00	1.00	1.00	1.00	1.00	10458.00	1.00	1.00	1.00	1.00	1.00	11232.00	1.00	1.00	1.00	1.00	9862.00	9980.00	12885.00	12623.00	1.00	1.00
C22 H44 O8 Esi-11.934001	1.00	1.00	1.00	11434.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	9235.00	1.00	16693.00	1.00	12381.00	19202.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12060.00	13889.00	1.00	11494.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11232.00	1.00	1.00	1.00	1.00	10721.00	9980.00	12885.00	1.00	1.00	1.00
Zinniol	1.00	1.00	34172.00	65659.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	29324.00	1.00	20524.00	30471.00	33576.00	1.00	1.00	21901.00	15436.00	1.00	1.00	33290.00	46461.00	32407.00	29395.00	34814.00	32090.00	28608.00	25190.00	1.00	1.00	1.00	19367.00	1.00	1.00	1.00	1.00	26767.00	19382.00	49546.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	31726.00	27468.00	26215.00	22026.00
5-Hydroxymethyl-2-furaldehyde Esi-1.6279997	1.00	1.00	1.00	1.00	1.00	1.00	1.00	16386.00	47293.00	1.00	1.00	33088.00	1.00	1.00	1.00	1.00	1.00	54039.00	80253.00	1.00	60687.00	1.00	1.00	1.00	1.00	57763.00	1.00	45166.00	48815.00	1.00	1.00	32220.00	1.00	1.00	1.00	1.00	1.00	43444.00	1.00	40498.00	47765.00	1.00	36279.00	39883.00	23346.00	1.00	43809.00	1.00	1.00	1.00	78228.00	49996.00	1.00	32324.00
L-O-Methylthreonine	1.00	1.00	13750.00	1.00	16684.00	16836.00	14847.00	12810.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14833.00	1.00	13253.00	13053.00	1.00	1.00	1.00	1.00	15636.00	15181.00	14735.00	13646.00	1.00	1.00	15885.00	15967.00	1.00	1.00	1.00	1.00	1.00	1.00	12270.00	11759.00	1.00	12178.00	1.00	1.00	13616.00	1.00	13835.00	11941.00	1.00	1.00	13878.00	12184.00
Ser His His	1.00	13782.00	12839.00	1.00	12656.00	13724.00	12353.00	1.00	13619.00	1.00	1.00	14520.00	12732.00	14183.00	1.00	1.00	13000.00	1.00	12799.00	1.00	1.00	1.00	13458.00	1.00	13533.00	1.00	12646.00	12295.00	1.00	1.00	14479.00	11510.00	1.00	1.00	12593.00	1.00	11661.00	13594.00	1.00	12493.00	1.00	12696.00	1.00	12615.00	1.00	1.00	13694.00	11936.00	11802.00	1.00	1.00	12025.00	12352.00	12149.00
Ascorbate 2-sulfate	1.00	1.00	1.00	1.00	1.00	10015.00	1.00	1.00	9794.00	1.00	1.00	1.00	11576.00	11666.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10031.00	9543.00	1.00	1.00	1.00	9694.00	11263.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	9396.00	1.00	1.00	1.00	1.00	11134.00	10351.00	9658.00	9731.00	9411.00	1.00	13715.00	12725.00	11455.00	10900.00	12567.00	13082.00	1.00	9488.00
C14 H27 O10	1.00	1.00	1.00	1.00	10312.00	10768.00	1.00	1.00	9918.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	9147.00	1.00	1.00	10188.00	9130.00	1.00	1.00	9238.00	9942.00	11675.00	11922.00	12913.00	12560.00	1.00	1.00	1.00	10896.00	1.00	1.00	1.00	10176.00	1.00	1.00	10253.00	1.00	9187.00	9903.00	10182.00	1.00	11413.00	11937.00	9816.00	9678.00	1.00	1.00	10108.00	1.00
C32 H20 N6 O29 S	1.00	85789.00	12071.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	73447.00	1.00	1.00	46303.00	42252.00	1.00	1.00	39501.00	21643.00	1.00	1.00	19704.00	1.00	1.00	1.00	18568.00	1.00	11408.00	1.00	23037.00	1.00	1.00	1.00	1.00	1.00	12774.00	1.00	23186.00	1.00	36348.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	24722.00	1.00	14421.00	1.00	1.00	1.00	1.00
C5 Cl2 O S	1.00	1.00	14626.00	1.00	1.00	14029.00	15436.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13838.00	1.00	1.00	1.00	14664.00	15389.00	13506.00	1.00	1.00	1.00	13996.00	1.00	14216.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12687.00	1.00	1.00	1.00	1.00	14242.00	1.00	13636.00	1.00	14666.00	14635.00	1.00	1.00	1.00	1.00	1.00	1.00
1?,25-Dihydroxy-21-(3-hydroxy-3-methylbutyl)vitamin D(3)	10702.00	11620.00	12337.00	12626.00	12521.00	11966.00	12625.00	10766.00	12581.00	10579.00	12183.00	11350.00	1.00	10890.00	11438.00	1.00	12828.00	1.00	12871.00	1.00	12200.00	1.00	12748.00	1.00	1.00	1.00	1.00	12019.00	1.00	12198.00	1.00	11696.00	10602.00	1.00	11559.00	11427.00	11102.00	11201.00	1.00	11203.00	11858.00	10682.00	12644.00	1.00	1.00	1.00	1.00	1.00	1.00	12075.00	11543.00	12071.00	11039.00	1.00
C44 H63 N12	1.00	8565.00	10461.00	10283.00	10602.00	1.00	10839.00	1.00	1.00	1.00	1.00	9331.00	1.00	8896.00	1.00	1.00	1.00	1.00	1.00	1.00	9898.00	10382.00	1.00	1.00	9304.00	9609.00	9244.00	8755.00	1.00	9420.00	1.00	1.00	11283.00	1.00	1.00	1.00	1.00	10092.00	1.00	10728.00	10202.00	8869.00	9533.00	1.00	10798.00	1.00	1.00	10337.00	10230.00	1.00	1.00	9225.00	9502.00	9967.00
p-Hydroxybenzophenone	1.00	1.00	20158.00	20309.00	22290.00	22897.00	1.00	1.00	11830.00	11108.00	1.00	1.00	10060.00	12584.00	14279.00	15937.00	1.00	1.00	1.00	1.00	12531.00	12127.00	16219.00	15154.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	31817.00	30327.00	1.00	1.00	1.00	1.00	1.00	1.00	25056.00	24546.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C11 H14 N2 O S	93575.00	102854.00	11435.00	11713.00	26894.00	28470.00	18114.00	109139.00	1.00	1.00	44162.00	38535.00	1.00	1.00	1.00	1.00	1.00	1.00	45494.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	74192.00	1.00	1.00	1.00	12308.00	10356.00	1.00	11348.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	33600.00	1.00	13717.00	11768.00	13871.00	14566.00	1.00	1.00	1.00	1.00
8?-Hydroxycarapin, 3,8-Hemiacetal	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	8146.00	8730.00	23401.00	23858.00	13504.00	13295.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13151.00	12462.00	1.00	1.00	18969.00	19587.00	1.00	1.00	1.00	1.00	1.00	1.00	10734.00	9272.00	1.00	1.00	8281.00	1.00	1.00	1.00	9716.00	8659.00	1.00	1.00	1.00	1.00