Compound	philic-17aug17-001	philic-17aug17-001	philic-17aug17-002	philic-17aug17-002	philic-17aug17-003	philic-17aug17-003	philic-17aug17-004	philic-17aug17-004	philic-17aug17-005	philic-17aug17-005	philic-17aug17-006	philic-17aug17-006	philic-17aug17-007	philic-17aug17-007	philic-17aug17-008	philic-17aug17-008	philic-17aug17-009	philic-17aug17-009	philic-17aug17-010	philic-17aug17-010	philic-17aug17-011	philic-17aug17-011	philic-17aug17-012	philic-17aug17-012
Factors	groups:C	groups:C	groups:S	groups:S	groups:F	groups:F	groups:F	groups:F	groups:C	groups:C	groups:S	groups:S	groups:F	groups:F	groups:F	groups:F	groups:C	groups:C	groups:S	groups:S	groups:F	groups:F	groups:S	groups:S
Pyroglutamic acid	4450494.00	3352053.00	3580355.00	3429203.00	3328721.00	3359129.00	3999704.00	2399673.00	156330.00	149373.00	3577440.00	6392103.00	3043288.00	2240280.00	4842262.00	2350882.00	51200000.00	3360345.00	3083691.00	3032449.00	3339254.00	3000250.00	3882565.00	3830288.00
Creatine	14200000.00	13300000.00	10800000.00	10800000.00	11400000.00	11500000.00	12800000.00	11200000.00	1845020.00	1814351.00	10400000.00	12500000.00	11000000.00	10200000.00	17700000.00	14600000.00	40500000.00	13200000.00	13400000.00	13200000.00	12800000.00	12500000.00	11000000.00	11000000.00
Choline	14000000.00	14000000.00	9844728.00	9828610.00	14200000.00	14100000.00	12800000.00	12500000.00	844872.00	847215.00	9436707.00	9801685.00	13100000.00	13000000.00	12500000.00	12100000.00	25700000.00	16200000.00	14100000.00	14100000.00	11900000.00	11800000.00	9809304.00	9856852.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate	17100000.00	17400000.00	10900000.00	11100000.00	18100000.00	18000000.00	19100000.00	19300000.00	19900000.00	19900000.00	10800000.00	10800000.00	15900000.00	15700000.00	11800000.00	12200000.00	17500000.00	19400000.00	12400000.00	12600000.00	16800000.00	16200000.00	14500000.00	14500000.00
L-Arginine	1113563.00	643717.00	483615.00	449946.00	505018.00	497115.00	832286.00	353637.00	129163.00	119920.00	275165.00	685604.00	517721.00	337353.00	1230224.00	364549.00	13500000.00	562894.00	423318.00	382211.00	416155.00	352769.00	543709.00	549974.00
Carnitine	5317054.00	4867179.00	2282039.00	2242777.00	2799071.00	2820040.00	3152288.00	2705628.00	2315376.00	2276143.00	1791042.00	2226950.00	2675588.00	2407209.00	5239602.00	4215746.00	21300000.00	3268257.00	3831317.00	3852850.00	2092033.00	1997549.00	2468945.00	2416583.00
C25 H34 N17 O4	12600000.00	12600000.00	7232892.00	7113260.00	9825135.00	9018181.00	6036289.00	6040325.00	17900000.00	17900000.00	7139319.00	7097502.00	15900000.00	16100000.00	9463423.00	9557777.00	13400000.00	15400000.00	6353859.00	6449965.00	13200000.00	13300000.00	13600000.00	13700000.00
C6 H15 N O6	5112738.00	4404969.00	3670359.00	2729827.00	3103171.00	3120908.00	3679697.00	3123141.00	97185.00	98685.00	2604277.00	3013034.00	2978993.00	2822621.00	3735891.00	4279992.00	35100000.00	3387293.00	3008940.00	4267507.00	3148521.00	3088692.00	1993663.00	2140078.00
L-Valine	10400000.00	9806257.00	2175864.00	2161903.00	3103978.00	3054839.00	1309661.00	1182011.00	6679790.00	6659808.00	1974861.00	2299706.00	3483523.00	3274718.00	5712150.00	4834493.00	16200000.00	2904247.00	3994425.00	4001230.00	1857174.00	1833020.00	2249490.00	2276918.00
Creatinine	7646344.00	7487526.00	6859790.00	6965775.00	8530954.00	8476303.00	6867145.00	6734629.00	716748.00	722857.00	7218197.00	7407824.00	7861115.00	7648282.00	8628588.00	8380696.00	13400000.00	6974076.00	7899563.00	7815012.00	7348844.00	7354722.00	4872709.00	4836178.00
C6 H15 N O6 Esi+2.7559998	2892377.00	2547733.00	377642.00	919615.00	1252011.00	1225911.00	1704997.00	1464835.00	104969.00	105122.00	1136801.00	1525650.00	1317606.00	1100118.00	1649199.00	371618.00	35100000.00	1557137.00	1218990.00	437705.00	1479356.00	1428825.00	4555204.00	4314327.00
5-Methylcytidine	353870.00	232574.00	70270.00	68833.00	80140.00	78019.00	91685.00	48535.00	101739.00	99536.00	42141.00	81969.00	96756.00	63173.00	169069.00	64011.00	12800000.00	71854.00	105640.00	104652.00	55661.00	51443.00	118747.00	118891.00
C7 N O6 S	5073513.00	4914135.00	4981040.00	5009184.00	5049780.00	5017652.00	5252715.00	4858199.00	446202.00	454705.00	4851501.00	5291638.00	5151553.00	5000406.00	5374071.00	4912735.00	13000000.00	5024474.00	5055202.00	5015557.00	5125482.00	5066423.00	4047812.00	4009208.00
Trp-Lys-OH	4256767.00	4097414.00	3347116.00	3399805.00	4201805.00	4218492.00	2536313.00	2440530.00	156234.00	167967.00	2916819.00	3100632.00	3665423.00	3600967.00	2778218.00	2624015.00	8748188.00	3024658.00	3180613.00	3166381.00	3710831.00	3644777.00	2105716.00	2121188.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate Esi+1.1299996	17100000.00	17400000.00	10900000.00	11100000.00	18100000.00	18000000.00	19100000.00	19300000.00	19900000.00	19900000.00	10800000.00	10800000.00	15900000.00	15700000.00	11800000.00	12200000.00	17500000.00	19400000.00	12400000.00	12600000.00	16800000.00	16200000.00	14500000.00	14500000.00
Lysine	279906.00	165296.00	111946.00	106371.00	125776.00	123861.00	181446.00	74406.00	1.00	1.00	64944.00	147479.00	123124.00	67085.00	234743.00	69047.00	11800000.00	143261.00	110021.00	94443.00	106269.00	85608.00	143789.00	141209.00
Acetylcarnitine	3349956.00	3178667.00	1372990.00	1364575.00	1616952.00	1629689.00	1889373.00	1744652.00	1409558.00	1474490.00	908285.00	1014551.00	1239604.00	1197728.00	6229504.00	5615486.00	9230942.00	2839293.00	2355004.00	2343799.00	1630060.00	1607752.00	1351326.00	1341656.00
C8 H18 O5	4146276.00	4239742.00	2233759.00	2255538.00	3940255.00	4100875.00	7835180.00	7740764.00	1038860.00	1096056.00	8314328.00	8457443.00	1425646.00	1472067.00	5278633.00	5299139.00	832468.00	646444.00	1131387.00	1214828.00	5787419.00	5817698.00	1583343.00	1723079.00
Pantothenic Acid	1473745.00	1417747.00	1995136.00	1966119.00	2666633.00	2685106.00	1624894.00	1515920.00	34516.00	35791.00	1495779.00	1723418.00	1772051.00	1648899.00	2381109.00	2069012.00	7007139.00	3051505.00	1871515.00	1846361.00	3327580.00	3306388.00	1138142.00	1141871.00
C7 H14 N2 O6	328864.00	337989.00	277102.00	314892.00	806829.00	809681.00	320050.00	305834.00	40530.00	42962.00	809855.00	1087835.00	799514.00	780064.00	735611.00	637824.00	1.00	831774.00	953988.00	969934.00	918626.00	900838.00	1340129.00	1382697.00
Cytidine	155101.00	139576.00	230128.00	228658.00	241241.00	243738.00	210628.00	187110.00	1.00	1.00	182586.00	203944.00	283969.00	274777.00	266731.00	225034.00	3586618.00	217489.00	219589.00	226442.00	207296.00	192426.00	144331.00	144918.00
13-Docosenamide	816283.00	793015.00	462330.00	458655.00	911457.00	862939.00	418536.00	408250.00	1505210.00	1533759.00	697542.00	713600.00	1758426.00	1727047.00	978218.00	973928.00	546616.00	565738.00	617153.00	604788.00	1321793.00	1214235.00	928570.00	934641.00
N?,N?,N?-Trimethyllysine	370882.00	249523.00	57720.00	48603.00	61859.00	62043.00	66929.00	29697.00	153345.00	149197.00	45469.00	94410.00	66629.00	43777.00	114881.00	38530.00	6289307.00	64988.00	53880.00	53263.00	62144.00	50964.00	72501.00	75954.00
Mepanipyrim	139748.00	106326.00	86564.00	82450.00	87987.00	85609.00	71358.00	35646.00	1.00	1.00	79791.00	164584.00	112792.00	84651.00	151585.00	71715.00	1.00	88288.00	83442.00	95325.00	88630.00	79577.00	96716.00	104914.00
C30 H67 N19 O4	5527545.00	5481465.00	317156.00	307871.00	202262.00	204203.00	120227.00	123247.00	4308723.00	4280936.00	173485.00	173289.00	1521286.00	1517248.00	495012.00	493641.00	874391.00	603045.00	124457.00	119438.00	149369.00	151266.00	238346.00	242306.00
17-phenyl trinor Prostaglandin E2 serinol amide	2798165.00	2797740.00	2060729.00	2082453.00	2329325.00	2334951.00	4139172.00	4231673.00	2540362.00	2522786.00	1761375.00	1762166.00	2477230.00	2422932.00	1850705.00	1857394.00	2830066.00	2880189.00	2174405.00	2202267.00	2568235.00	2453306.00	2206058.00	2226330.00
Hypoxanthine	505318.00	497062.00	2321069.00	2324459.00	2940455.00	2962921.00	2755830.00	2761481.00	33497.00	39208.00	1822858.00	1882380.00	1753422.00	1797412.00	2104640.00	2125869.00	3446659.00	2852561.00	3506093.00	3490141.00	1711389.00	1662030.00	1797379.00	1808326.00
C24 H33 N O6	3325810.00	3363054.00	2062950.00	2023711.00	3426571.00	3443469.00	6071596.00	6007090.00	3619134.00	3640675.00	2104765.00	2107369.00	3433141.00	3484992.00	2469184.00	2500808.00	3661073.00	4109232.00	2598708.00	2593617.00	3761083.00	3615336.00	3774152.00	3794726.00
Cytosine	2037509.00	1941679.00	1793329.00	1805792.00	1918849.00	1914280.00	1522107.00	1471922.00	331928.00	362804.00	1533949.00	1613769.00	1714502.00	1819359.00	1685966.00	1490123.00	5883534.00	1613374.00	1691368.00	1654405.00	1689294.00	1792502.00	1244862.00	1293103.00
PC(18:1(11Z)/20:3(5Z,8Z,11Z))	4064077.00	4036544.00	225597.00	225922.00	164187.00	159631.00	96907.00	99130.00	2698479.00	2686704.00	94916.00	92051.00	1111925.00	1099764.00	275326.00	279687.00	503378.00	443312.00	104365.00	107869.00	106085.00	104646.00	188521.00	185314.00
Octylamine	1508184.00	1644099.00	3684659.00	3118773.00	1398110.00	389514.00	2231555.00	2246214.00	1396234.00	1422323.00	2745063.00	2812548.00	2070316.00	1949172.00	2105129.00	973026.00	2761997.00	1900918.00	3225886.00	3202180.00	1723244.00	1804192.00	2075588.00	3021355.00
C46 H79 O8	3629860.00	3693481.00	1818474.00	1833035.00	1093241.00	1094285.00	627358.00	632289.00	1627709.00	1626112.00	606886.00	607410.00	1577207.00	1605801.00	1483242.00	1465916.00	2592302.00	1553143.00	923865.00	928117.00	813941.00	808045.00	527896.00	516294.00
2-Dehydro-3-deoxy-L-rhamnonate	1299574.00	1188212.00	1281506.00	1128527.00	923098.00	906556.00	998602.00	908023.00	28943.00	66656.00	759392.00	876344.00	1443375.00	797405.00	1047572.00	886269.00	4807400.00	975882.00	920531.00	896953.00	930985.00	921805.00	605991.00	613814.00
2-Dehydro-3-deoxy-L-rhamnonate Esi+2.856	192519.00	222940.00	155944.00	1.00	239136.00	209546.00	271982.00	254046.00	35279.00	66656.00	202821.00	233951.00	114316.00	133196.00	173811.00	189365.00	10500000.00	169356.00	219330.00	202019.00	238519.00	250682.00	1439074.00	1398922.00
L-Proline	574572.00	542480.00	72623.00	70104.00	119457.00	117073.00	63154.00	55629.00	294966.00	298515.00	51646.00	65597.00	100048.00	91676.00	357608.00	283085.00	3522702.00	130263.00	109499.00	106982.00	82473.00	81964.00	84786.00	82703.00
C41 H81 N6 O6 S	3592079.00	3583741.00	285835.00	284767.00	175950.00	183293.00	115355.00	119084.00	2761336.00	2762820.00	136080.00	134713.00	1103348.00	1095867.00	345014.00	352178.00	590604.00	506321.00	125472.00	124025.00	127557.00	128367.00	205361.00	202412.00
1-Aminocyclohexanecarboxylic acid	1336300.00	1272866.00	685318.00	692176.00	782549.00	772161.00	460286.00	425878.00	627666.00	626635.00	468244.00	528422.00	823720.00	810708.00	1270003.00	1130062.00	3418721.00	657366.00	802255.00	807032.00	573887.00	569466.00	505810.00	510638.00
Epoxybergamottin	211642.00	161987.00	135705.00	144675.00	129854.00	144133.00	155428.00	100799.00	1.00	1.00	98257.00	118534.00	135963.00	141092.00	239797.00	152874.00	4692792.00	333428.00	115907.00	130114.00	152870.00	143790.00	155820.00	220230.00
C6 H8 N3 O5	322636.00	204131.00	175215.00	158145.00	281075.00	268381.00	248598.00	124792.00	1.00	1.00	171137.00	324790.00	257406.00	149352.00	426338.00	154764.00	9549422.00	101210.00	157489.00	157623.00	393842.00	329712.00	217304.00	207536.00
Hypoxanthine Esi+2.9049997	2681466.00	2323158.00	913657.00	919763.00	1334038.00	1379738.00	1853790.00	1570026.00	1.00	1.00	1103114.00	1430821.00	903707.00	819770.00	3427381.00	2450987.00	511468.00	2505209.00	1720894.00	1747646.00	2009580.00	1861622.00	868867.00	864045.00
13C6-phe	2062857.00	2053506.00	2142375.00	2148789.00	2187983.00	2188532.00	2055532.00	1983419.00	3026870.00	3066944.00	2125277.00	2212951.00	2185172.00	2145267.00	2130931.00	2053943.00	3195380.00	2216943.00	2141317.00	2147819.00	2202568.00	2191424.00	2938128.00	2929707.00
C4 H5 N O	279731.00	215890.00	223167.00	210064.00	207980.00	205364.00	241185.00	152817.00	1.00	1.00	232047.00	394844.00	188980.00	146751.00	296084.00	151336.00	3190641.00	215460.00	194797.00	204183.00	211030.00	181215.00	248755.00	244451.00
C4 N O4 S	1341421.00	1298713.00	1338239.00	1354530.00	1348200.00	1360811.00	1393503.00	1307072.00	150555.00	154945.00	1306457.00	1415257.00	1360976.00	1323090.00	1416159.00	1310201.00	3185502.00	1346268.00	1356316.00	1362531.00	1379779.00	1356217.00	1097538.00	1084664.00
Aminohydroxybutyric Acid	125575.00	104932.00	87459.00	86494.00	80753.00	81252.00	89003.00	69202.00	1.00	1.00	76077.00	111827.00	80598.00	69492.00	134490.00	88266.00	3351806.00	98478.00	69302.00	68554.00	78989.00	73955.00	98254.00	93777.00
C40 H81 N2 O10 S	3614760.00	3594585.00	259249.00	252636.00	235155.00	239616.00	140886.00	134609.00	2276185.00	2262925.00	129827.00	127954.00	1155446.00	1132330.00	313924.00	310263.00	384668.00	411690.00	128003.00	125964.00	158243.00	157040.00	185711.00	185538.00
C10 H18 N6 O10	189950.00	109066.00	115796.00	105755.00	191694.00	185354.00	180190.00	78076.00	1.00	1.00	117096.00	235645.00	175772.00	92668.00	301940.00	101869.00	9387618.00	57071.00	101397.00	105470.00	281155.00	228705.00	144004.00	146674.00
C6 H15 N O6 Esi+2.639	5112738.00	4404969.00	3670359.00	2729827.00	3103171.00	3120908.00	3679697.00	3123141.00	97185.00	98685.00	2604277.00	3013034.00	2978993.00	2822621.00	3735891.00	4279992.00	35100000.00	3387293.00	3008940.00	4267507.00	3148521.00	3088692.00	1993663.00	2140078.00
5-Nitro-ortho-anisidine	2267118.00	2013650.00	2100926.00	2095763.00	2380717.00	2369106.00	2245494.00	1658970.00	27412.00	26291.00	2311271.00	2860288.00	2054166.00	1720768.00	2606719.00	1792039.00	1305413.00	2280409.00	2193504.00	2180591.00	2355290.00	2245870.00	2514213.00	2505631.00
C8 H18 N4 O2	57902.00	37305.00	30618.00	29893.00	29596.00	32466.00	38244.00	1.00	1.00	1.00	1.00	43232.00	32751.00	1.00	59408.00	1.00	2720847.00	31907.00	26401.00	1.00	1.00	1.00	35170.00	37219.00
C4 H10 N2 S2	221385.00	188606.00	236418.00	232269.00	318488.00	308611.00	329019.00	216663.00	1.00	1.00	218906.00	370336.00	278107.00	225461.00	386587.00	225746.00	3923556.00	257277.00	219841.00	239084.00	257290.00	229024.00	285053.00	293256.00
Practolol	2238642.00	2242624.00	951213.00	944516.00	550101.00	543252.00	868596.00	877095.00	80316.00	84322.00	773074.00	777593.00	563231.00	564203.00	621862.00	621416.00	380076.00	402697.00	854908.00	861072.00	619146.00	612723.00	760803.00	775159.00
C6 H14 O4	1684762.00	1745690.00	1591348.00	1651131.00	1836928.00	2012045.00	2463766.00	2480558.00	965040.00	1021535.00	2073112.00	2112647.00	1204836.00	1230012.00	1935458.00	1937490.00	1356363.00	1075630.00	1492035.00	1477128.00	2223882.00	2277558.00	1133961.00	1165807.00
N2-Acetyl-L-aminoadipate	176538.00	160664.00	144843.00	151286.00	168724.00	162469.00	163334.00	141485.00	1.00	1.00	153938.00	196205.00	159007.00	148661.00	164964.00	129732.00	2601334.00	147295.00	155650.00	154247.00	182081.00	177235.00	98130.00	105856.00
Nitrothal-isopropyl	1385995.00	1251873.00	1836778.00	1846886.00	1288876.00	1298297.00	1052057.00	1072983.00	1.00	1.00	755255.00	848927.00	2165158.00	2118566.00	2611986.00	2497927.00	694883.00	936900.00	1188780.00	1169033.00	846817.00	848192.00	1188931.00	1237163.00
Niacinamide	2317589.00	2290779.00	1343589.00	1343543.00	1654212.00	1644803.00	1767897.00	1755872.00	762239.00	766860.00	1143146.00	1113444.00	1413477.00	1429788.00	1652640.00	1634384.00	1854097.00	1677907.00	2056364.00	2047550.00	1406832.00	1399813.00	1288228.00	1293619.00
C6 H8 N3 O5 Esi+2.8880002	57303.00	42429.00	82216.00	78927.00	128454.00	124811.00	30590.00	125232.00	142414.00	131066.00	132988.00	248002.00	75918.00	75363.00	75263.00	66560.00	746624.00	130624.00	123061.00	106753.00	147159.00	150864.00	772123.00	724570.00
C12 H2 N2 O12 S2	722421.00	694705.00	725320.00	714978.00	717736.00	718614.00	756303.00	703136.00	67546.00	73226.00	703305.00	766988.00	743547.00	719773.00	779738.00	715229.00	2277109.00	726099.00	718850.00	717675.00	732280.00	727570.00	560203.00	543030.00
Ala His Asn	760611.00	784890.00	578610.00	573372.00	662200.00	649654.00	455845.00	417384.00	24197.00	25825.00	419718.00	464255.00	576716.00	575548.00	548836.00	463102.00	2052250.00	551410.00	566053.00	550720.00	591808.00	589958.00	340722.00	347697.00
PAF C-16	1753452.00	1636733.00	60437.00	59785.00	67174.00	62509.00	53374.00	39169.00	891053.00	877659.00	40514.00	53983.00	432208.00	382265.00	204337.00	142513.00	567111.00	171550.00	31165.00	31524.00	44185.00	40306.00	63309.00	62117.00
Lentiginosine	724801.00	712310.00	606792.00	612011.00	707439.00	712729.00	535402.00	513354.00	268623.00	263849.00	517196.00	555742.00	817648.00	803543.00	877625.00	794814.00	2038285.00	506386.00	697524.00	682559.00	520063.00	517522.00	451076.00	454442.00
C14 H2 O8 S2	745612.00	723876.00	733610.00	732358.00	728833.00	710891.00	771739.00	709919.00	71457.00	74827.00	703379.00	777300.00	756850.00	718148.00	788750.00	714501.00	2082435.00	738620.00	733319.00	732628.00	734287.00	741888.00	571402.00	565522.00
Adenosine	1925297.00	1751347.00	80043.00	82062.00	242496.00	240393.00	228154.00	201961.00	1.00	1.00	59523.00	67478.00	114517.00	107073.00	231353.00	185360.00	25904.00	168830.00	28116.00	26746.00	123984.00	128221.00	58900.00	59237.00
C15 H24 O6	37509.00	40104.00	33705.00	34103.00	96464.00	87507.00	149583.00	149036.00	825588.00	835096.00	54261.00	50474.00	193756.00	186573.00	41906.00	37967.00	172388.00	177962.00	218782.00	217969.00	23118.00	20785.00	212246.00	206281.00
Inosine	1485165.00	1264626.00	382933.00	389421.00	629386.00	615147.00	866282.00	767186.00	1.00	1.00	541496.00	633576.00	354173.00	335028.00	1592399.00	1214985.00	166783.00	1302265.00	847780.00	865950.00	1014793.00	994216.00	475722.00	479706.00
C13 H25 N O2	364682.00	394303.00	100923.00	107480.00	550825.00	534408.00	155766.00	168798.00	343136.00	347494.00	318078.00	327276.00	617875.00	661395.00	544968.00	572101.00	248494.00	281265.00	188566.00	223379.00	260476.00	255809.00	304977.00	348880.00
7-Aminomethyl-7-carbaguanine	855586.00	703900.00	284064.00	129463.00	398950.00	409017.00	532001.00	420525.00	32656.00	61318.00	334887.00	452555.00	390425.00	473242.00	521508.00	361920.00	9394081.00	484241.00	371214.00	396250.00	484095.00	456937.00	1299733.00	1264761.00
Octylamine Esi+4.307999	1219345.00	1110189.00	1220491.00	1772626.00	1147056.00	612270.00	1209789.00	1183131.00	1059894.00	1492305.00	1231679.00	1248420.00	1321885.00	1246429.00	1307619.00	563093.00	2093845.00	1975585.00	1082133.00	1041971.00	1152078.00	1237832.00	759713.00	1726056.00
C9 H21 N3 O6	352983.00	343428.00	293413.00	318256.00	354256.00	357446.00	272236.00	257881.00	37590.00	41901.00	458090.00	527832.00	461062.00	438434.00	433633.00	391919.00	1931885.00	338632.00	426571.00	431489.00	383199.00	394088.00	517888.00	532902.00
MG(0:0/18:0/0:0)	686284.00	672324.00	619441.00	630701.00	689574.00	664559.00	607137.00	601632.00	702613.00	704814.00	575550.00	582121.00	615952.00	595485.00	740084.00	752861.00	742174.00	808615.00	753354.00	742037.00	797138.00	813992.00	1413104.00	1336691.00
C7 H5 N O2	23097.00	23013.00	12943.00	12278.00	1.00	1.00	1691365.00	1695658.00	186446.00	188065.00	1.00	1.00	19984.00	19118.00	22465.00	22208.00	27186.00	22800.00	19004.00	19580.00	1.00	1.00	13092.00	13071.00
2E-hexenol	1249038.00	527374.00	1166708.00	460233.00	1160376.00	1218836.00	1363489.00	1383025.00	2297047.00	2374181.00	666062.00	529032.00	1459402.00	1350184.00	1225344.00	593135.00	585848.00	302679.00	356154.00	762648.00	1172870.00	476771.00	390150.00	1020312.00
C5 H3 N S	287590.00	202875.00	279019.00	272248.00	356703.00	370011.00	388932.00	256415.00	81940.00	86366.00	244235.00	441729.00	325435.00	253598.00	465905.00	251920.00	4629051.00	259533.00	287531.00	276962.00	314241.00	264112.00	358410.00	350978.00
C7 H14 N2 O6 Esi+3.6119998	2628885.00	2656389.00	2193621.00	2373218.00	2853461.00	2847459.00	2003137.00	1893662.00	293409.00	319615.00	3719845.00	4511488.00	3740355.00	3663485.00	3557204.00	3064167.00	32900000.00	3048408.00	3564624.00	3593143.00	3251227.00	3222077.00	4548686.00	4570249.00
1-Palmitoyllysophosphatidylcholine	1244567.00	1202267.00	42156.00	39774.00	56709.00	52546.00	34482.00	34467.00	747729.00	750525.00	42938.00	45582.00	355412.00	342709.00	146644.00	137636.00	693690.00	139568.00	28817.00	28555.00	38917.00	37653.00	44403.00	45552.00
C15 H2 N2 O14 S2	449417.00	430307.00	451331.00	451514.00	441893.00	437957.00	471475.00	433322.00	49121.00	48127.00	436697.00	476849.00	471375.00	443510.00	488182.00	428246.00	1478381.00	445805.00	447327.00	443536.00	453503.00	451177.00	336032.00	334449.00
Leu Ala	92387.00	59795.00	53455.00	51716.00	47759.00	48275.00	101182.00	61247.00	1.00	1.00	40814.00	67718.00	80934.00	65333.00	76889.00	34508.00	1417314.00	72348.00	46424.00	39248.00	62609.00	55087.00	51139.00	49473.00
C3 H9 N S2	140553.00	100955.00	134188.00	129199.00	177021.00	176520.00	192717.00	123700.00	1.00	1.00	130968.00	220782.00	142347.00	121772.00	232817.00	121853.00	2388269.00	141712.00	139740.00	146381.00	150734.00	135816.00	173211.00	177592.00
L-Serine	52980.00	43665.00	48496.00	49149.00	42687.00	40226.00	48411.00	32651.00	1.00	1.00	37285.00	51225.00	40144.00	31738.00	58186.00	36353.00	1556220.00	44384.00	36141.00	34313.00	39346.00	37488.00	43259.00	43047.00
L-isoleucyl-L-proline	271057.00	255377.00	159506.00	157852.00	163923.00	160912.00	112484.00	191351.00	46014.00	48869.00	117371.00	146433.00	145473.00	133325.00	509209.00	419502.00	2231330.00	295372.00	232305.00	236272.00	178643.00	175009.00	163165.00	164500.00
Pantothenic Acid Esi+2.4080005	1473745.00	1417747.00	1995136.00	1966144.00	2666633.00	2685106.00	1624894.00	1515920.00	34516.00	35791.00	1495779.00	1723418.00	1772051.00	1648899.00	2381109.00	2069012.00	7007139.00	3051034.00	1871515.00	1846640.00	3315365.00	3306388.00	1138188.00	1141871.00
C27 H41 N18 O4	1116991.00	1106589.00	854811.00	820331.00	884537.00	767865.00	706486.00	704929.00	1345751.00	1331919.00	853513.00	829882.00	1215176.00	1216015.00	935819.00	940363.00	929653.00	1173159.00	791680.00	795081.00	1176566.00	1163051.00	1199729.00	1205422.00
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid	570601.00	556626.00	812808.00	792452.00	592057.00	538203.00	1032843.00	1095201.00	541691.00	513595.00	871834.00	879818.00	645678.00	643776.00	783722.00	779728.00	460545.00	464115.00	668234.00	686318.00	586358.00	573756.00	613102.00	619730.00
Alanine	71096.00	61135.00	75165.00	78042.00	65179.00	66767.00	60803.00	46874.00	16290.00	16962.00	46109.00	64107.00	64993.00	59408.00	98947.00	64607.00	1323012.00	70127.00	48201.00	48528.00	52689.00	49160.00	64570.00	66425.00
C19 H40 O4	12890.00	11051.00	363983.00	376093.00	342826.00	339255.00	89631.00	89100.00	252747.00	256714.00	18196.00	19940.00	540114.00	549832.00	67292.00	61969.00	357007.00	403857.00	1.00	1.00	12558.00	1.00	30326.00	28159.00
C33 H38 O6	1030552.00	1034548.00	913977.00	900556.00	1215479.00	1163926.00	808555.00	788845.00	1150030.00	1164418.00	707496.00	705953.00	780625.00	762857.00	669320.00	664346.00	1061163.00	1091319.00	705752.00	711167.00	854898.00	873774.00	568067.00	571045.00
C18 N O19 S	314158.00	304944.00	307674.00	310751.00	310146.00	312651.00	325762.00	301982.00	35185.00	33761.00	290341.00	335076.00	323494.00	312133.00	329923.00	297582.00	1098281.00	311876.00	319733.00	311466.00	321756.00	313018.00	237882.00	235066.00
C5 H4 N6 O	121924.00	87820.00	102161.00	103363.00	157163.00	156075.00	162762.00	100431.00	1.00	1.00	105051.00	179119.00	128745.00	99565.00	193494.00	106084.00	1966322.00	115010.00	111797.00	118201.00	128369.00	110831.00	136914.00	144689.00
p-Aminosalicylic acid methyl ester	676699.00	659334.00	930414.00	965863.00	890990.00	885362.00	457663.00	467684.00	1.00	1.00	813501.00	843286.00	679620.00	661484.00	759670.00	737080.00	1178360.00	791930.00	706404.00	734103.00	858482.00	851484.00	280504.00	283709.00
C8 H17 N O6	170389.00	142641.00	76477.00	73257.00	75600.00	74838.00	61308.00	49798.00	1.00	1.00	89679.00	118564.00	106170.00	97744.00	123933.00	82180.00	7327922.00	85774.00	116039.00	107628.00	90667.00	82995.00	82419.00	84077.00
Nitrothal-isopropyl Esi+2.867	490244.00	495155.00	1108217.00	1132231.00	842550.00	873735.00	594175.00	656672.00	1.00	1.00	626129.00	499989.00	1075548.00	1174464.00	850983.00	1102626.00	95119.00	576763.00	702029.00	750969.00	566983.00	557751.00	415240.00	408448.00
C21 H44 O8	2905611.00	2947021.00	2891667.00	460082.00	3042909.00	3036824.00	2974810.00	2941425.00	484303.00	425784.00	2973183.00	2322871.00	2979385.00	2898210.00	2787429.00	2959010.00	3031490.00	2778726.00	2968471.00	3046614.00	2977156.00	2969541.00	3024648.00	3035075.00
5-Nitro-ortho-anisidine Esi+6.996999	2268388.00	2014387.00	2101338.00	2096465.00	2382367.00	2369391.00	2245759.00	1668774.00	27412.00	26291.00	2311543.00	2861021.00	2054453.00	1721819.00	2607815.00	1792039.00	1313745.00	2281414.00	2194728.00	2181360.00	2356768.00	2246473.00	2515782.00	2507331.00
3,6-dioxo-decanoic acid	1.00	1.00	39340.00	38734.00	32539.00	32102.00	460291.00	454443.00	29353.00	29775.00	12766.00	13010.00	68014.00	48396.00	38088.00	18153.00	46489.00	47323.00	38404.00	32882.00	1.00	13456.00	33870.00	15061.00
5-Methyldeoxycytidine	71161.00	62258.00	35399.00	37249.00	32060.00	31590.00	15092.00	12934.00	1.00	1.00	67348.00	76511.00	46076.00	46795.00	35687.00	30190.00	600447.00	45042.00	70175.00	72401.00	52590.00	47636.00	11423.00	11689.00
C21 N O21 S	249051.00	240560.00	245856.00	247428.00	248001.00	242634.00	266524.00	241121.00	30957.00	30257.00	242569.00	267885.00	254243.00	251112.00	280075.00	245399.00	924358.00	248240.00	248727.00	245859.00	256364.00	249622.00	186227.00	182231.00
3-hydroxy-dodecanedioic acid	68211.00	70045.00	45410.00	49868.00	69460.00	62841.00	34161.00	33400.00	616322.00	618151.00	97883.00	103814.00	166703.00	163211.00	63501.00	63135.00	112489.00	123446.00	170173.00	171593.00	52420.00	51787.00	239007.00	237635.00
1,2-dipalmitoyl-sn-glycero-3-PC	1012639.00	1006441.00	102906.00	103760.00	72275.00	72599.00	52151.00	52908.00	714749.00	699892.00	39723.00	38117.00	139778.00	141862.00	104948.00	110121.00	178597.00	107118.00	49706.00	49490.00	43563.00	47152.00	72003.00	71142.00
C7 H2 O11 S	379939.00	363507.00	366505.00	366183.00	356276.00	357596.00	382343.00	357713.00	39785.00	38288.00	348745.00	384735.00	373526.00	362573.00	389464.00	349156.00	938750.00	361278.00	364850.00	352366.00	365673.00	360535.00	287177.00	290338.00
Pirbuterol	134862.00	129049.00	118534.00	120581.00	111025.00	113635.00	119098.00	102026.00	1.00	1.00	95051.00	121183.00	121328.00	105687.00	152578.00	125316.00	846208.00	122802.00	107804.00	112863.00	138146.00	128119.00	84061.00	81037.00
C32 H65 N22 O3	1116325.00	1098742.00	127266.00	128771.00	76952.00	79335.00	46097.00	46417.00	595387.00	588703.00	40344.00	44336.00	405713.00	397045.00	140267.00	137175.00	233970.00	174308.00	56649.00	55739.00	52327.00	53611.00	61921.00	60591.00
Anthemis glycoside B	779827.00	784861.00	902016.00	895956.00	840477.00	950244.00	605858.00	616193.00	359785.00	366158.00	512018.00	517877.00	529988.00	519515.00	597756.00	597734.00	741254.00	794396.00	866841.00	873625.00	871115.00	822821.00	455403.00	463909.00
2-Phenylbutyrolactone	42104.00	43139.00	40672.00	12080.00	16688.00	14039.00	53197.00	47343.00	46406.00	14001.00	14341.00	58275.00	19658.00	57819.00	53251.00	48255.00	9857.00	9653.00	14659.00	14816.00	9792.00	37561.00	13373.00	41812.00
(E)-3-methylglutaconic acid	234020.00	154123.00	329132.00	328172.00	413834.00	263925.00	42613.00	96560.00	1.00	1.00	329895.00	106132.00	368237.00	346815.00	424835.00	383618.00	2112062.00	451955.00	404447.00	394712.00	443384.00	105190.00	278821.00	268814.00
Deoxycytidine	498173.00	491225.00	420642.00	422514.00	487091.00	481773.00	364825.00	362538.00	99712.00	103173.00	370003.00	380307.00	430885.00	442646.00	377199.00	369212.00	878143.00	448842.00	419442.00	416692.00	454501.00	454023.00	341354.00	337882.00
C21 H45 N11 O3	635918.00	469049.00	463725.00	343680.00	632960.00	693781.00	689832.00	589166.00	1.00	1.00	485708.00	900376.00	688981.00	1624955.00	636793.00	474046.00	500421.00	520334.00	525624.00	693693.00	667387.00	658024.00	480812.00	504552.00
C21 H2 O26 S	205840.00	202029.00	209454.00	203579.00	203433.00	204849.00	217643.00	200639.00	27468.00	27933.00	204678.00	219775.00	213157.00	203672.00	226858.00	201898.00	798583.00	208896.00	207272.00	201232.00	210384.00	210392.00	157017.00	153237.00
C19 H42 N3 O7	610398.00	651728.00	1.00	632590.00	641472.00	647202.00	453610.00	884528.00	384276.00	1.00	474143.00	446271.00	1638024.00	478785.00	4179492.00	516942.00	1155499.00	625180.00	479436.00	663279.00	631986.00	638318.00	432954.00	518328.00
C10 H16 N4 O	398984.00	398670.00	191107.00	201759.00	520253.00	520055.00	808298.00	813439.00	38068.00	37300.00	592685.00	594678.00	62872.00	63767.00	825363.00	798724.00	34885.00	30466.00	124113.00	126539.00	621219.00	623300.00	83157.00	86708.00
N-Acetyl-D-glucosamine	117799.00	108046.00	80896.00	81296.00	119478.00	122304.00	133049.00	106439.00	1.00	1.00	117533.00	180558.00	89117.00	1.00	91104.00	1.00	1.00	137108.00	119337.00	116788.00	176929.00	170824.00	32523.00	71023.00
DMPO	373539.00	376367.00	495187.00	545638.00	447620.00	442345.00	526221.00	527265.00	495066.00	499540.00	529760.00	531406.00	577259.00	536666.00	484193.00	531898.00	598160.00	545377.00	507714.00	556710.00	465561.00	502202.00	509952.00	512040.00
C9 H18 O8	25110.00	18066.00	1.00	1.00	14476.00	1.00	22811.00	19753.00	1.00	1.00	19188.00	24767.00	16388.00	14597.00	21071.00	14864.00	1028417.00	1.00	15772.00	16718.00	27259.00	25755.00	1.00	1.00
Cytosine Esi+4.0240016	2121555.00	1983610.00	1813956.00	1884074.00	1926888.00	1913554.00	1594910.00	116756.00	327086.00	369807.00	1651532.00	1749403.00	146321.00	1868670.00	1732445.00	1598881.00	4664293.00	1616059.00	1758450.00	1701722.00	1784259.00	1813566.00	1225236.00	1376224.00
Azinphos-ethyl	894778.00	880377.00	1009713.00	377590.00	167910.00	960318.00	218074.00	957751.00	1.00	1.00	977141.00	1007652.00	226242.00	983710.00	224297.00	179890.00	1.00	964621.00	961058.00	959580.00	967857.00	960257.00	803936.00	775721.00
C12 H25 N4 O8 S	122188.00	59147.00	138884.00	141361.00	87233.00	83622.00	94250.00	112413.00	176839.00	188553.00	64966.00	109808.00	168162.00	107131.00	225439.00	123664.00	45774.00	78387.00	84959.00	112724.00	61812.00	62612.00	492758.00	471463.00
Pirimicarb	137672.00	147373.00	61014.00	83872.00	732943.00	757993.00	451664.00	469059.00	125814.00	149886.00	594659.00	614245.00	306156.00	301500.00	245758.00	261780.00	168692.00	102547.00	79484.00	99201.00	167966.00	91053.00	177679.00	170629.00
C43 H23 N8 O2	815745.00	825103.00	881320.00	876476.00	773467.00	850279.00	644924.00	631797.00	413673.00	404398.00	474755.00	470018.00	457565.00	455623.00	501892.00	504850.00	702778.00	768586.00	856551.00	837977.00	810889.00	746911.00	475790.00	479280.00
C6 H15 N O6 Esi+2.639 :1	5112735.00	4404969.00	3670359.00	2729830.00	3103171.00	3120908.00	3679697.00	3123141.00	97185.00	98685.00	2604277.00	3013034.00	2978993.00	2822621.00	3736033.00	4279992.00	35100000.00	3387293.00	3008940.00	4267507.00	3148521.00	3088911.00	1993663.00	2140078.00
2,3,5-Trimethacarb	1111724.00	1122360.00	1075992.00	1035065.00	1121146.00	1147857.00	1051913.00	1040166.00	1112279.00	1101852.00	1110781.00	1108212.00	1057422.00	1127950.00	1093239.00	1113037.00	761466.00	1125236.00	1137497.00	1099663.00	1126243.00	1156690.00	1114044.00	1124587.00
C20 H22 O5	1.00	1.00	1.00	1.00	12632.00	13809.00	11215.00	1.00	10267.00	12517.00	11328.00	11894.00	16986.00	14020.00	10578.00	9136.00	1.00	1.00	11557.00	13089.00	1.00	1.00	10023.00	1.00
C23 H47 N8 O4	2349574.00	2152854.00	470075.00	2369535.00	2392862.00	2524064.00	2341366.00	2409060.00	387224.00	387378.00	2305482.00	1807673.00	410285.00	2335689.00	2351620.00	2393473.00	2394654.00	2340824.00	2410662.00	397392.00	2453844.00	2456113.00	2412891.00	2347586.00
C11 H21 N5 O	341929.00	345658.00	178567.00	176800.00	304234.00	313161.00	684638.00	668663.00	78974.00	85262.00	724603.00	729478.00	115729.00	114413.00	403563.00	397280.00	63774.00	54822.00	93064.00	101182.00	469035.00	466862.00	122511.00	129087.00
C33 H65 N23	1908651.00	1892159.00	200739.00	203699.00	132103.00	135151.00	79175.00	82403.00	1290387.00	1271867.00	81267.00	81069.00	676220.00	661588.00	243970.00	238231.00	175098.00	299752.00	90358.00	91322.00	93324.00	94454.00	108436.00	107975.00
C8 H2 N O6 S	267533.00	257424.00	262940.00	264480.00	267755.00	268256.00	272539.00	263843.00	21390.00	23139.00	264073.00	286887.00	277107.00	270225.00	292384.00	259910.00	764936.00	274861.00	271728.00	271178.00	274789.00	272077.00	212932.00	212374.00
C26 H40 N10 O8	1210831.00	1199734.00	640087.00	617563.00	1111907.00	987267.00	393990.00	400368.00	1454955.00	1442517.00	538829.00	534295.00	1257380.00	1260664.00	817034.00	822421.00	1114539.00	1336840.00	493643.00	494028.00	1097929.00	1105243.00	1260487.00	1263724.00
C24 H2 O28 S	162805.00	160521.00	163016.00	160593.00	165607.00	161764.00	174544.00	160342.00	23263.00	25375.00	158710.00	173902.00	170675.00	165238.00	178693.00	157788.00	650697.00	161679.00	163957.00	163957.00	168920.00	160614.00	120566.00	120387.00
C40 H25 N O6	1305583.00	1282914.00	42206.00	1.00	149303.00	143570.00	81051.00	79410.00	58703.00	55190.00	63964.00	63250.00	382395.00	392246.00	287878.00	299222.00	244170.00	253433.00	41284.00	38654.00	94738.00	99456.00	170099.00	170115.00
3-o-Ethyl-L-ascorbic acid	165337.00	143948.00	99388.00	99053.00	126135.00	126941.00	182393.00	132780.00	1.00	1.00	150948.00	240554.00	106342.00	95685.00	114132.00	76358.00	885141.00	179209.00	149983.00	148263.00	214531.00	210319.00	78488.00	78728.00
C17 H36 O3	111568.00	97301.00	668943.00	654795.00	218363.00	209864.00	85216.00	69959.00	283019.00	295822.00	66810.00	66693.00	444327.00	435608.00	90080.00	76317.00	406245.00	437317.00	179493.00	184469.00	35909.00	24553.00	96865.00	102095.00
2(3H)-Furanone	335338.00	289484.00	432493.00	462538.00	540647.00	539044.00	381823.00	536241.00	1.00	1.00	438315.00	533759.00	501087.00	482251.00	591523.00	514942.00	2656455.00	555201.00	548037.00	535309.00	406953.00	573389.00	258823.00	270277.00
para-Phenylenediamine	464029.00	469958.00	483448.00	483024.00	481311.00	478708.00	445945.00	452583.00	684918.00	682498.00	492444.00	496179.00	482287.00	471680.00	472755.00	458785.00	702231.00	511198.00	477507.00	473264.00	497063.00	504024.00	653209.00	647661.00
C11 H16 Cl N2 S	146329.00	131040.00	99174.00	99033.00	130891.00	132885.00	141139.00	115401.00	1.00	1.00	129605.00	188439.00	103779.00	96767.00	100217.00	77947.00	1845130.00	148245.00	134309.00	132229.00	181690.00	173710.00	47102.00	80081.00
Chlorsulfuron	718284.00	720727.00	316573.00	831332.00	765003.00	774572.00	801509.00	783258.00	1.00	1.00	809477.00	813775.00	818581.00	795793.00	828329.00	272253.00	1.00	789071.00	779565.00	785650.00	161429.00	776707.00	645102.00	632720.00
C10 H2 N3 O	377159.00	378290.00	360321.00	360600.00	478204.00	469747.00	506044.00	495031.00	638222.00	632573.00	427230.00	420491.00	320440.00	320240.00	351339.00	350028.00	388114.00	411304.00	337250.00	338371.00	403430.00	394271.00	371692.00	371078.00
3-(6'-Methylthio)hexylmalic acid	169489.00	162740.00	132765.00	133230.00	291122.00	293875.00	195425.00	189876.00	12758.00	11829.00	148403.00	154734.00	194633.00	190534.00	278506.00	265789.00	571246.00	214564.00	132210.00	134846.00	138711.00	139815.00	49853.00	52037.00
C8 H16	116429.00	73468.00	77409.00	296506.00	123230.00	121769.00	112748.00	91796.00	1.00	1.00	70813.00	1.00	95994.00	70708.00	92361.00	75576.00	1.00	153616.00	133901.00	138444.00	157859.00	63939.00	56714.00	68340.00
C27 H39 N10 O	515229.00	506387.00	1.00	1.00	1.00	1.00	1.00	1.00	304216.00	310173.00	1.00	1.00	107714.00	107184.00	32630.00	36091.00	131915.00	26670.00	1.00	1.00	1.00	1.00	1.00	1.00
C32 H25 N17 O7	395178.00	396901.00	454298.00	456690.00	422351.00	528982.00	308051.00	308635.00	181704.00	183488.00	267059.00	269437.00	273757.00	265068.00	303563.00	311163.00	372459.00	398328.00	436696.00	436393.00	450805.00	413425.00	228728.00	233515.00
C39 H21 N O2	27789.00	29151.00	23146.00	26119.00	96171.00	227089.00	27754.00	33371.00	19009.00	19409.00	24626.00	21259.00	28392.00	22062.00	33636.00	33666.00	26691.00	18524.00	23781.00	27158.00	36654.00	24746.00	18016.00	16051.00
C41 H58 N7 O2	374565.00	369257.00	556390.00	557717.00	590193.00	542259.00	479535.00	499437.00	358475.00	358878.00	332045.00	328730.00	318343.00	306401.00	339214.00	335637.00	374990.00	397748.00	195049.00	193547.00	312932.00	308741.00	380495.00	379054.00
l-2-hydroxy-decanoic acid	446745.00	443308.00	126314.00	128760.00	466863.00	463230.00	416171.00	424324.00	124670.00	128821.00	573172.00	587643.00	193589.00	200680.00	586471.00	589545.00	98034.00	103064.00	188645.00	180515.00	532312.00	536175.00	356907.00	361536.00
Uridine	446798.00	303687.00	124175.00	151798.00	103457.00	100245.00	86453.00	75437.00	1.00	1.00	158234.00	231336.00	217270.00	151081.00	196650.00	98608.00	691377.00	59308.00	117157.00	108495.00	144799.00	130801.00	209022.00	213331.00
5-Methylcytidine Esi+4.1070004	47580.00	49805.00	39949.00	40083.00	38343.00	40377.00	34208.00	32151.00	1.00	1.00	33134.00	33849.00	41509.00	42218.00	41914.00	36441.00	474021.00	34242.00	36242.00	36453.00	35845.00	35189.00	24841.00	23708.00
C53 H39 N15 S3	27577.00	19540.00	28083.00	25532.00	35901.00	521441.00	32210.00	38628.00	20645.00	18109.00	23187.00	19615.00	48056.00	31728.00	59428.00	47415.00	35802.00	15189.00	23886.00	28806.00	72504.00	34599.00	21466.00	17145.00
C17 Sphinganine	101149.00	101404.00	108446.00	111052.00	112142.00	109091.00	178403.00	173608.00	179837.00	179574.00	152282.00	150141.00	598718.00	602195.00	150389.00	158206.00	110502.00	113597.00	81148.00	76328.00	118326.00	116893.00	102333.00	107556.00
C32 H67 N25 O2	489575.00	484582.00	55738.00	55792.00	29962.00	29167.00	17770.00	20507.00	360785.00	358848.00	16227.00	16619.00	176791.00	175944.00	50241.00	50822.00	95555.00	80474.00	21591.00	19290.00	19496.00	19243.00	28493.00	30065.00
C16 H36 N12 O8	116655.00	106127.00	73216.00	74506.00	81701.00	83367.00	95573.00	82596.00	1.00	1.00	61993.00	74290.00	76564.00	70239.00	157346.00	126026.00	500333.00	100946.00	105851.00	107394.00	100522.00	93979.00	75186.00	75063.00
Obtusilic acid	388710.00	394967.00	119500.00	121028.00	434090.00	431829.00	375448.00	379539.00	107442.00	117080.00	529054.00	526138.00	181465.00	184684.00	555906.00	557245.00	96553.00	92346.00	165421.00	172458.00	497354.00	480896.00	329943.00	333792.00
O6-Methyl-2'-deoxyguanosine	92491.00	88243.00	84665.00	86954.00	81289.00	84259.00	90680.00	82464.00	1.00	1.00	75872.00	82833.00	89184.00	84955.00	92235.00	79853.00	536299.00	86083.00	83137.00	87800.00	75712.00	70944.00	58495.00	67654.00
C41 H74 N4 O5	539941.00	550062.00	60543.00	60740.00	41315.00	41746.00	39550.00	39128.00	553421.00	555058.00	31578.00	32994.00	144180.00	133071.00	75312.00	76129.00	111952.00	95579.00	27903.00	28991.00	34503.00	34937.00	55094.00	51941.00
N?-Acetyl-L-arginine	73520.00	63028.00	45343.00	44172.00	45536.00	46280.00	54691.00	41404.00	1.00	1.00	29565.00	43681.00	49299.00	40312.00	70723.00	50037.00	550395.00	42186.00	38092.00	38163.00	47123.00	44534.00	34153.00	32242.00
C33 H65 Cl2 N8 O11 S5	29781.00	18946.00	28244.00	25672.00	28174.00	522737.00	32252.00	38210.00	19530.00	14206.00	24024.00	13720.00	50223.00	23300.00	58846.00	45823.00	30926.00	13969.00	19278.00	29001.00	67485.00	31264.00	22230.00	16555.00
C25 H36 N17 O5	67002.00	68338.00	426841.00	434839.00	355425.00	346878.00	464753.00	485493.00	85039.00	84952.00	519613.00	499843.00	205767.00	200897.00	185137.00	185636.00	151656.00	143899.00	368892.00	372078.00	361819.00	359651.00	67862.00	67686.00
(2R)-2-Hydroxy-2-methylbutanenitrile	288975.00	270538.00	515773.00	510663.00	278409.00	277823.00	106849.00	103826.00	19291.00	16070.00	266968.00	239243.00	243349.00	246106.00	510943.00	499510.00	433890.00	402268.00	301368.00	297028.00	336139.00	312370.00	186586.00	179835.00
C43 H49 N29	229861.00	230386.00	59685.00	64744.00	131179.00	109348.00	39949.00	40248.00	521590.00	521162.00	67262.00	67600.00	365510.00	374441.00	116146.00	118794.00	254783.00	369282.00	53343.00	56119.00	271883.00	278069.00	267135.00	265107.00
C25 H57 N4 O9	1428704.00	1761085.00	333062.00	1782793.00	324062.00	1765852.00	355149.00	1726531.00	325415.00	305274.00	1740564.00	1741657.00	370134.00	1730448.00	1752537.00	1730956.00	1774979.00	336398.00	1749659.00	1785890.00	1781968.00	1768971.00	1600844.00	1774012.00
C4 H15 N4 O2 S2	122823.00	118878.00	132500.00	130868.00	132563.00	135009.00	126557.00	119644.00	130713.00	126381.00	133023.00	140458.00	134463.00	130055.00	131152.00	124918.00	513175.00	140775.00	127124.00	127441.00	136947.00	132753.00	168043.00	167557.00
C18 H38 O7	1361854.00	1346507.00	218931.00	182442.00	1394889.00	1426413.00	1363083.00	205810.00	201369.00	189718.00	1361514.00	1368180.00	1409339.00	193486.00	1396079.00	192666.00	1418096.00	1396755.00	1426312.00	1421263.00	1417328.00	1411630.00	1419976.00	1393130.00
Acremoauxin A	176217.00	211275.00	475418.00	461527.00	272126.00	271478.00	155545.00	234070.00	1.00	1.00	237646.00	118867.00	468276.00	464335.00	181403.00	286688.00	1.00	157023.00	335415.00	235679.00	156540.00	158488.00	235103.00	298047.00
Anthranilic acid	195740.00	185815.00	65426.00	62875.00	64187.00	66647.00	44186.00	37609.00	110031.00	111571.00	34764.00	40566.00	64378.00	62499.00	137972.00	127203.00	480463.00	63793.00	111184.00	107219.00	47852.00	46699.00	51454.00	50601.00
C6 H15 N O6 Esi+2.8540003	566809.00	669697.00	377642.00	349558.00	452668.00	445445.00	456126.00	407499.00	104969.00	105122.00	455608.00	566519.00	291579.00	353714.00	389682.00	371618.00	1.00	356743.00	469400.00	437705.00	431504.00	423923.00	4555204.00	4314327.00
C19 H38 N3 O4	241446.00	240556.00	217776.00	216219.00	299224.00	296118.00	188444.00	194542.00	266116.00	264929.00	233318.00	233806.00	246729.00	244555.00	306705.00	306142.00	272251.00	302060.00	284123.00	287510.00	320144.00	310332.00	422259.00	411495.00
Pseudouridine	183420.00	181850.00	177175.00	174280.00	184723.00	191774.00	165097.00	150063.00	1.00	1.00	165683.00	174016.00	186906.00	185786.00	178114.00	162309.00	500559.00	174183.00	171403.00	176764.00	194802.00	204195.00	113349.00	120430.00
3-hexenedial	14921.00	16842.00	47511.00	55029.00	26975.00	30388.00	14096.00	15172.00	213627.00	206349.00	25047.00	24527.00	60921.00	58989.00	17729.00	17807.00	62191.00	62157.00	71881.00	76144.00	14037.00	14184.00	61190.00	64976.00
C20 H41 N8 O3	2761104.00	2755265.00	2763238.00	427769.00	464716.00	2841598.00	2807944.00	2803676.00	442677.00	403873.00	2787429.00	2814205.00	2614982.00	2761749.00	2637863.00	2806675.00	2875927.00	2810699.00	2867570.00	2851960.00	2680743.00	2777232.00	2824067.00	2840865.00
C9 H20 O4	223793.00	229775.00	206123.00	202537.00	172503.00	172343.00	221717.00	236067.00	353974.00	345787.00	238399.00	245177.00	204937.00	201838.00	192746.00	197404.00	164829.00	171628.00	215593.00	218435.00	203078.00	206158.00	233052.00	252690.00
Agecorynin D	49668.00	48772.00	13278.00	13891.00	23969.00	22364.00	30022.00	18106.00	290346.00	268801.00	20476.00	38120.00	15510.00	14117.00	15875.00	12784.00	1.00	16592.00	19416.00	19031.00	18957.00	20504.00	288594.00	279263.00
1-(8-[3]-ladderane-octanyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol	132194.00	139676.00	28781.00	29981.00	80265.00	68914.00	20026.00	21183.00	431634.00	445219.00	32842.00	32111.00	254861.00	257125.00	64730.00	67445.00	120648.00	240019.00	22755.00	24703.00	168741.00	171517.00	182648.00	183694.00
C39 H40 Cl N19 S3	65137.00	54698.00	66842.00	66355.00	61673.00	416842.00	51148.00	58896.00	33150.00	32691.00	46263.00	39733.00	64679.00	46615.00	70300.00	58126.00	61020.00	48938.00	59987.00	64641.00	110751.00	67087.00	37040.00	38379.00
C37 H31 N7 O3 S2	365688.00	359825.00	375889.00	376225.00	348045.00	417167.00	282676.00	291412.00	177097.00	179022.00	212657.00	218332.00	205179.00	204602.00	225825.00	236396.00	314769.00	337355.00	375622.00	374869.00	366188.00	331554.00	211572.00	217060.00
L-Norvaline	114690.00	106735.00	42739.00	55938.00	45553.00	35881.00	31450.00	41164.00	46466.00	42331.00	37713.00	44743.00	37551.00	31555.00	86100.00	75555.00	460918.00	68466.00	36401.00	49911.00	35832.00	37948.00	42302.00	53433.00
Saoussazine	96566.00	92448.00	96831.00	94158.00	95808.00	91613.00	102955.00	91869.00	17714.00	16940.00	95203.00	104292.00	99319.00	96760.00	104037.00	95258.00	398501.00	97186.00	94238.00	94289.00	96464.00	97260.00	70369.00	72510.00
C35 H37 N23 S4	42682.00	37750.00	44853.00	43314.00	44698.00	312009.00	39172.00	39220.00	25636.00	21928.00	33887.00	28558.00	45935.00	32744.00	48466.00	45555.00	44042.00	36560.00	40221.00	45676.00	81167.00	51292.00	29694.00	23707.00
Furfural	172293.00	155339.00	163547.00	169880.00	202720.00	123037.00	133618.00	127868.00	1.00	1.00	164175.00	118308.00	180703.00	118445.00	148312.00	129914.00	1156349.00	217411.00	195832.00	130216.00	221611.00	129701.00	94434.00	237118.00
C9 H21 N O3	260435.00	239376.00	219516.00	214866.00	298634.00	288443.00	237109.00	225999.00	382796.00	357355.00	318638.00	340897.00	223584.00	214476.00	184692.00	172179.00	442937.00	270916.00	184219.00	181378.00	269259.00	248233.00	198817.00	201279.00
C34 H12 N12 O20 S2	154522.00	153801.00	41033.00	41785.00	89151.00	72404.00	29551.00	26635.00	361563.00	356771.00	43280.00	44408.00	256823.00	248697.00	78425.00	78957.00	172055.00	247582.00	37947.00	37710.00	184250.00	184597.00	178172.00	184663.00
Uridine Esi+4.5940013	434659.00	302218.00	122589.00	150105.00	103353.00	91067.00	87627.00	75437.00	1.00	1.00	158234.00	223798.00	217058.00	148456.00	158176.00	98608.00	693697.00	59267.00	103338.00	107004.00	144750.00	130721.00	209336.00	211200.00
CPX	19572.00	19187.00	19064.00	23594.00	34753.00	34022.00	1.00	1.00	215035.00	219307.00	27493.00	32281.00	111036.00	109191.00	14368.00	20919.00	82356.00	93070.00	131723.00	127858.00	1.00	1.00	111323.00	109212.00
C7 H14 N2 O6 Esi+3.444	329040.00	335927.00	277048.00	314943.00	806113.00	810745.00	320219.00	305830.00	40530.00	42962.00	809854.00	1087399.00	799512.00	780573.00	735614.00	638532.00	1.00	830822.00	953971.00	970209.00	919669.00	900807.00	1340129.00	1382697.00
Gentianadine	233481.00	230461.00	330910.00	334394.00	314651.00	306129.00	156870.00	156199.00	1.00	1.00	299021.00	299254.00	238628.00	241190.00	269613.00	267932.00	445577.00	277831.00	253869.00	255128.00	312947.00	312613.00	96247.00	94717.00
C12 H26 O5	308131.00	308892.00	211953.00	221030.00	282352.00	279940.00	481546.00	475151.00	130285.00	133242.00	489323.00	496283.00	171395.00	179120.00	380036.00	374410.00	78075.00	85388.00	129855.00	138784.00	371976.00	378469.00	142163.00	174579.00
JTE-013	235061.00	225977.00	259497.00	257203.00	226480.00	439658.00	175569.00	178037.00	103236.00	103769.00	152678.00	146663.00	165005.00	151898.00	182366.00	179712.00	208578.00	219776.00	236734.00	245392.00	291521.00	237498.00	131028.00	127552.00
C17 O15	110122.00	101294.00	108556.00	110814.00	108710.00	109657.00	115946.00	105625.00	1.00	1.00	106703.00	114477.00	112572.00	110148.00	123090.00	104636.00	385671.00	111484.00	112433.00	108366.00	113432.00	107939.00	81609.00	79245.00
3-hexanoyl-NBD Cholesterol	110203.00	110606.00	159570.00	144519.00	197743.00	185170.00	191761.00	198940.00	132647.00	127430.00	218589.00	232750.00	246799.00	245914.00	356955.00	361780.00	357688.00	403471.00	148900.00	146323.00	141359.00	137004.00	199096.00	216335.00
4-Acetamido-2-amino-6-nitrotoluene	239251.00	235771.00	179215.00	174475.00	151275.00	154170.00	40679.00	42019.00	1.00	1.00	222658.00	229898.00	313869.00	308011.00	206358.00	196871.00	393918.00	259179.00	146714.00	145240.00	260149.00	258075.00	205075.00	210294.00
Nitrilacarb	144628.00	100859.00	19267.00	12796.00	11336.00	14899.00	11433.00	9062.00	71046.00	73446.00	16230.00	16796.00	17436.00	14628.00	23618.00	12489.00	419407.00	21595.00	16624.00	14828.00	11391.00	12152.00	8697.00	8639.00
His Gln Ser	42108.00	35185.00	25385.00	25927.00	34626.00	36966.00	28111.00	23317.00	1.00	1.00	25472.00	29632.00	34259.00	30641.00	31341.00	28891.00	345750.00	21795.00	30806.00	27024.00	28719.00	25400.00	15258.00	14901.00
C23 H43 N O6	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	171773.00	173972.00	1.00	1.00	14839.00	13220.00	1.00	1.00	1.00	15954.00	36602.00	34864.00	1.00	1.00	25325.00	23058.00
alpha-Methylstyrene	390273.00	389005.00	247226.00	246338.00	403280.00	381818.00	384869.00	379391.00	457327.00	458145.00	253096.00	248908.00	344354.00	347934.00	261855.00	273357.00	385570.00	409305.00	278492.00	279398.00	363209.00	351419.00	308650.00	307833.00
4-Heptyloxyphenol	51693.00	44068.00	115167.00	109031.00	114935.00	111085.00	82052.00	79798.00	99740.00	96383.00	137324.00	135816.00	195457.00	185962.00	182085.00	167175.00	133525.00	128342.00	146436.00	145468.00	316559.00	256623.00	352983.00	322580.00
L-isoleucyl-L-proline Esi+8.162002	271057.00	255377.00	159506.00	157852.00	163923.00	160912.00	39419.00	191351.00	46014.00	48869.00	117371.00	146433.00	145473.00	133325.00	509209.00	419502.00	2230438.00	295372.00	232305.00	236272.00	178643.00	175009.00	163165.00	164500.00
Aprobarbital	357706.00	354474.00	160897.00	155908.00	105827.00	97853.00	148684.00	145365.00	20441.00	22443.00	132475.00	137252.00	108142.00	103323.00	112761.00	111257.00	73649.00	75437.00	157002.00	155446.00	114564.00	110042.00	138438.00	147090.00
C6 H6 N2 O2	1.00	1.00	1.00	14880.00	1.00	1.00	35569.00	36562.00	382056.00	380401.00	1.00	1.00	25382.00	24161.00	25621.00	20276.00	49907.00	24419.00	20674.00	27639.00	1.00	1.00	1.00	1.00
His Pro Tyr	304617.00	305701.00	234236.00	232272.00	250547.00	251684.00	264323.00	256870.00	9880.00	10131.00	186781.00	199703.00	243498.00	238326.00	335560.00	334133.00	199817.00	296717.00	307266.00	297381.00	286961.00	283766.00	228062.00	216500.00
C22 H22 N3 O24	894778.00	880377.00	1.00	632119.00	173461.00	1.00	151874.00	1.00	1.00	1.00	1.00	1.00	166769.00	1.00	158306.00	153486.00	658577.00	1.00	961058.00	1.00	1.00	1.00	803936.00	775721.00
C19 H45 N4 O7	579115.00	436024.00	434562.00	604567.00	607826.00	612153.00	1.00	454003.00	1.00	1.00	613571.00	1.00	848576.00	1.00	3932688.00	456175.00	1260204.00	608084.00	611878.00	414324.00	538244.00	604577.00	415422.00	448502.00
C39 H23 N21 O3	130435.00	131869.00	149659.00	142636.00	134421.00	303739.00	99332.00	104761.00	62924.00	63511.00	92654.00	89301.00	101241.00	92847.00	106307.00	105395.00	127138.00	134083.00	140226.00	141344.00	173127.00	140777.00	77291.00	76437.00
Aurasperone D	27201.00	1.00	19758.00	17660.00	18679.00	529614.00	28250.00	42599.00	16894.00	10180.00	19656.00	10890.00	47208.00	27137.00	96619.00	80363.00	26117.00	1.00	17010.00	23035.00	42392.00	18185.00	17636.00	15035.00
TG(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)/22:3(10Z,13Z,16Z))[iso6]	75850.00	72008.00	74545.00	76534.00	73792.00	75333.00	78408.00	74002.00	1.00	15765.00	73606.00	83341.00	75085.00	72309.00	83282.00	72588.00	321475.00	74335.00	74055.00	73984.00	74312.00	78243.00	55936.00	54852.00
C25 H36 N17 O5 Esi+1.8330001	29894.00	1.00	287678.00	302039.00	328435.00	322444.00	350381.00	379551.00	1.00	31622.00	390188.00	396076.00	151625.00	124640.00	133158.00	127911.00	1.00	120898.00	331562.00	335386.00	352360.00	350487.00	58699.00	56448.00
Taurine	127691.00	114437.00	70752.00	68539.00	71145.00	72724.00	99882.00	83341.00	26171.00	25380.00	53368.00	67799.00	68392.00	61835.00	175745.00	150146.00	836628.00	111658.00	115466.00	115705.00	59082.00	61308.00	107649.00	106803.00
3-hexenedial Esi+1.153	33905.00	44953.00	47238.00	52747.00	31814.00	45589.00	14096.00	15172.00	209870.00	211378.00	42963.00	51786.00	62090.00	53850.00	42393.00	38494.00	41003.00	43659.00	66065.00	62895.00	44522.00	41135.00	85339.00	81660.00
C9 H17 N5	239397.00	251345.00	243771.00	238688.00	231083.00	243335.00	324525.00	337804.00	149043.00	143923.00	289627.00	291361.00	172532.00	177223.00	253232.00	254207.00	198247.00	150148.00	201769.00	189162.00	292855.00	289553.00	158998.00	164052.00
C7 H5 N3	26920.00	23561.00	22562.00	21749.00	22540.00	22446.00	25166.00	14619.00	1.00	1.00	22782.00	42620.00	20700.00	1.00	34278.00	14415.00	364165.00	22242.00	19535.00	18628.00	20842.00	18604.00	24226.00	25664.00
C54 H85 N4 O9	143852.00	143220.00	252312.00	249161.00	313666.00	259464.00	47760.00	53599.00	168580.00	171461.00	322599.00	325581.00	175969.00	182872.00	87487.00	89698.00	194355.00	229597.00	250153.00	245006.00	236521.00	233412.00	141596.00	143956.00
C20 H34 N2 O6	1.00	1.00	1.00	1.00	23297.00	24173.00	1.00	1.00	1.00	1.00	300807.00	301138.00	19338.00	19745.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C29 H39 N10 O	301110.00	282879.00	14303.00	14931.00	13171.00	12236.00	1.00	1.00	103866.00	104688.00	1.00	12562.00	90124.00	78004.00	41636.00	28363.00	116417.00	32697.00	1.00	1.00	1.00	1.00	1.00	1.00
C14 O13	103392.00	100406.00	102439.00	105287.00	102243.00	102964.00	110028.00	99725.00	1.00	1.00	95382.00	111696.00	111074.00	101461.00	110578.00	99048.00	330057.00	103331.00	107201.00	101535.00	105844.00	101198.00	81907.00	76298.00
2-Iodophenol	46966.00	48288.00	49693.00	46829.00	41102.00	44604.00	48561.00	42402.00	1.00	1.00	39248.00	47527.00	44030.00	42452.00	47858.00	44428.00	348955.00	43821.00	42369.00	43523.00	45650.00	42705.00	32077.00	28970.00
Octylamine Esi+4.307999 :1	1165834.00	1110189.00	1246990.00	1132876.00	1105607.00	1860556.00	1146683.00	1183131.00	224044.00	1494958.00	1231679.00	1244008.00	1346177.00	1246429.00	1295883.00	1847393.00	2093845.00	386199.00	1134931.00	1995425.00	1167441.00	1237832.00	759713.00	1779892.00
C12 H16 N7 O	76549.00	74939.00	242443.00	234862.00	116939.00	115886.00	88455.00	94322.00	193233.00	195236.00	111084.00	111658.00	283468.00	275595.00	85308.00	87979.00	304886.00	323022.00	163373.00	164643.00	86136.00	81603.00	129434.00	131451.00
Fampridine	44775.00	42364.00	25679.00	24727.00	30079.00	31089.00	1.00	1.00	1.00	1.00	22918.00	29325.00	24019.00	21527.00	37690.00	32060.00	343154.00	46345.00	58059.00	58257.00	21484.00	18465.00	27284.00	30008.00
C22 H22 N6 O	170984.00	176471.00	197522.00	195984.00	293082.00	290862.00	115933.00	118130.00	246566.00	253171.00	238768.00	241881.00	241343.00	247555.00	223178.00	227831.00	237150.00	268856.00	227173.00	220072.00	273675.00	268775.00	243354.00	250511.00
Methyl acetyl ricinoleate	168527.00	171805.00	158291.00	156572.00	228832.00	215931.00	145263.00	140702.00	202051.00	203695.00	179405.00	183572.00	181706.00	181667.00	226568.00	225612.00	196644.00	200719.00	192151.00	188642.00	229894.00	230958.00	298575.00	305835.00
C20 H45 N4 O	134953.00	140173.00	114100.00	110437.00	159205.00	166467.00	105965.00	109715.00	173166.00	170922.00	115361.00	109585.00	149131.00	148806.00	123508.00	121625.00	187570.00	189322.00	168124.00	164851.00	203090.00	197095.00	269525.00	275351.00
2R-aminoheptanoic acid	180751.00	174099.00	70514.00	70504.00	84382.00	88307.00	90694.00	83609.00	79952.00	76434.00	57808.00	59592.00	65305.00	66234.00	140585.00	127265.00	321581.00	99136.00	102754.00	109226.00	73956.00	73302.00	60326.00	65581.00
3-Aminobenzamide	236064.00	226961.00	90599.00	88722.00	119513.00	123169.00	52273.00	51443.00	1.00	1.00	103203.00	107594.00	129280.00	128225.00	141805.00	136673.00	320626.00	143218.00	146577.00	146259.00	76853.00	72130.00	85797.00	83099.00
C39 H79 N2 O9 S	323652.00	328400.00	12093.00	14276.00	15011.00	14020.00	1.00	1.00	209034.00	207425.00	1.00	1.00	27095.00	25177.00	16738.00	16160.00	19272.00	15811.00	1.00	1.00	13049.00	11559.00	1.00	1.00
Hymenoflorin	233631.00	231991.00	151020.00	145995.00	243004.00	226821.00	243772.00	241826.00	273067.00	280345.00	153796.00	150550.00	213906.00	210596.00	164825.00	165025.00	241270.00	256859.00	168121.00	166525.00	225268.00	212432.00	193439.00	203342.00
Octanoic acid, 3-amino-, (1)-	132258.00	127967.00	58010.00	56278.00	100101.00	93500.00	112259.00	113147.00	135537.00	139152.00	81991.00	88015.00	204525.00	202463.00	261642.00	249301.00	303407.00	114122.00	145913.00	147942.00	74427.00	76202.00	63308.00	68365.00
C10 H20 N4 O6	216061.00	187012.00	190286.00	186492.00	205333.00	207848.00	207497.00	143684.00	1.00	1.00	207696.00	288485.00	179157.00	142461.00	251569.00	154272.00	179587.00	207692.00	195470.00	200981.00	208429.00	197102.00	228795.00	229702.00
Acetylenic acids	28548.00	25764.00	22235.00	22202.00	22356.00	19212.00	25886.00	19103.00	1.00	1.00	17389.00	22359.00	21775.00	21113.00	43988.00	32847.00	278504.00	29537.00	22089.00	20291.00	22225.00	22019.00	18606.00	18255.00
Pseudouridine Esi+1.6489996	32703.00	31117.00	87047.00	90643.00	90050.00	85089.00	66242.00	63089.00	1.00	1.00	60601.00	60498.00	103146.00	100909.00	61773.00	60486.00	254331.00	83168.00	87222.00	90174.00	68842.00	67273.00	37556.00	37822.00
C15 N2 O19	75743.00	72384.00	80399.00	78753.00	74513.00	74384.00	81154.00	75833.00	1.00	1.00	73628.00	80340.00	81495.00	78447.00	82725.00	74299.00	284670.00	76322.00	76143.00	74774.00	76674.00	77310.00	57667.00	54814.00
Chlorsulfuron Esi+2.8170004	718284.00	720727.00	316573.00	831332.00	765003.00	774572.00	801509.00	783258.00	1.00	1.00	809477.00	813775.00	818581.00	795793.00	828329.00	272253.00	526038.00	789071.00	779565.00	785650.00	116887.00	776707.00	645102.00	632720.00
C12 H26 O7	46886.00	54850.00	34978.00	39753.00	238025.00	242827.00	127037.00	141713.00	151968.00	159622.00	129898.00	136712.00	194877.00	193123.00	80575.00	95325.00	79879.00	72776.00	55794.00	74671.00	140518.00	78562.00	66119.00	64769.00
C27 H53 N4 O7	170252.00	658096.00	168746.00	650398.00	269960.00	718325.00	158868.00	160305.00	155761.00	148930.00	645654.00	656077.00	709716.00	232152.00	189801.00	187775.00	668294.00	181099.00	652329.00	656515.00	659912.00	654143.00	669932.00	166435.00
3-(5'-Methylthio)pentylmalic acid	66366.00	50449.00	182226.00	178941.00	184066.00	182231.00	170190.00	132692.00	1.00	1.00	33853.00	72446.00	212944.00	189387.00	285143.00	221378.00	169172.00	149549.00	178397.00	171488.00	189419.00	183553.00	85723.00	85144.00
Ancitabine	173601.00	174177.00	181912.00	181342.00	174414.00	170211.00	218943.00	213813.00	275875.00	282695.00	154542.00	158247.00	139153.00	144067.00	137519.00	137429.00	171691.00	182257.00	156613.00	149366.00	158485.00	159376.00	149137.00	148305.00
C7 N O6 S Esi+5.875	127068.00	1.00	131529.00	125971.00	1.00	1.00	143205.00	24811.00	69062.00	22549.00	128520.00	26859.00	107953.00	99224.00	144543.00	36961.00	278522.00	100164.00	20191.00	137714.00	1.00	108437.00	23747.00	136784.00
C37 H80 N9 O16	63670.00	63604.00	14937.00	12608.00	9535.00	1.00	10326.00	1.00	1.00	1.00	1.00	1.00	14021.00	12458.00	93880.00	56755.00	274719.00	40759.00	26021.00	26867.00	1.00	1.00	9214.00	8591.00
L-alpha-Aspartyl-L-hydroxyproline	118646.00	116765.00	92826.00	94563.00	120411.00	128394.00	81105.00	76174.00	1.00	1.00	84975.00	86730.00	114486.00	115147.00	86990.00	85419.00	251799.00	93320.00	94329.00	102486.00	137005.00	131034.00	48324.00	51359.00
C29 H57 N4 O8	35891.00	36860.00	184107.00	155307.00	223810.00	99052.00	31252.00	61466.00	67050.00	62917.00	40202.00	31664.00	72471.00	171342.00	192269.00	101895.00	224563.00	187228.00	37362.00	71120.00	101831.00	41273.00	36428.00	90155.00
THTC	124151.00	91431.00	78202.00	165865.00	59215.00	187180.00	66622.00	52607.00	179022.00	232966.00	86841.00	81453.00	73698.00	58607.00	84731.00	58757.00	375122.00	114308.00	78000.00	78414.00	84551.00	80975.00	88491.00	69550.00
Hexazinone	29894.00	31458.00	18526.00	17108.00	258698.00	255062.00	112499.00	113896.00	13387.00	1.00	97618.00	98499.00	20239.00	21423.00	248738.00	245299.00	1.00	1.00	1.00	1.00	24103.00	24267.00	1.00	1.00
myo-Inositol pentakisphosphate	64721.00	63818.00	61293.00	63303.00	61607.00	62462.00	67853.00	64171.00	1.00	1.00	65256.00	72975.00	65687.00	65255.00	68402.00	62783.00	258501.00	64249.00	65574.00	65489.00	66559.00	64111.00	47756.00	46923.00
C48 H23 N2	36506.00	78249.00	32139.00	83100.00	135463.00	275559.00	86943.00	100510.00	18129.00	38587.00	51402.00	85940.00	70997.00	70338.00	73031.00	148685.00	87393.00	64304.00	58472.00	75910.00	52753.00	64744.00	51691.00	47388.00
C13 H25 N O2 Esi+1.1310004	24704.00	22821.00	43487.00	52598.00	66873.00	62419.00	39525.00	38706.00	65572.00	71902.00	69998.00	67315.00	114990.00	107549.00	94261.00	90863.00	79125.00	75325.00	79756.00	76518.00	153828.00	139991.00	187525.00	154381.00
2-Dehydro-3-deoxy-L-rhamnonate Esi+2.6430004	1299355.00	1184740.00	806070.00	1282433.00	922783.00	906556.00	999025.00	907825.00	28943.00	1.00	759657.00	876488.00	1443240.00	801038.00	1040988.00	890382.00	1.00	970319.00	920674.00	897052.00	930608.00	922067.00	605808.00	613814.00
C12 H23 N O2	76757.00	82593.00	33159.00	29631.00	73738.00	79894.00	42927.00	40757.00	58138.00	66751.00	39530.00	51669.00	75276.00	73729.00	65399.00	68090.00	51276.00	45024.00	31609.00	34098.00	48364.00	53661.00	41245.00	43163.00
C33 H17 N14	50784.00	51341.00	44854.00	43759.00	36918.00	126979.00	33288.00	33201.00	24248.00	32360.00	25617.00	24716.00	27457.00	22611.00	38705.00	37724.00	39240.00	34496.00	43733.00	42156.00	117467.00	63319.00	18732.00	20919.00
C12 H24 O5	25292.00	26228.00	18094.00	15422.00	28084.00	31683.00	48801.00	10855.00	181596.00	180653.00	47897.00	48978.00	94936.00	95468.00	25101.00	24641.00	72962.00	77205.00	99468.00	102397.00	18240.00	21560.00	111814.00	112670.00
C20 H43 N4 O2	13115.00	12227.00	19445.00	17156.00	1.00	1.00	1.00	1.00	36037.00	32192.00	1.00	1.00	21502.00	22976.00	1.00	1.00	209613.00	225767.00	1.00	1.00	1.00	1.00	1.00	15600.00
4'-Hydroxytrimethoprim	93657.00	627151.00	683405.00	674433.00	667442.00	93399.00	127583.00	730183.00	122731.00	118558.00	292597.00	475594.00	119953.00	128885.00	663286.00	521136.00	662677.00	101414.00	736110.00	820668.00	716137.00	529622.00	697530.00	685495.00
Trolamine	1.00	1.00	87693.00	98707.00	155796.00	159373.00	70876.00	72521.00	116481.00	113551.00	52745.00	60021.00	263762.00	264544.00	89338.00	84989.00	19132.00	15392.00	181908.00	184853.00	41024.00	41291.00	59473.00	63818.00
1-Peroxyferolide	118077.00	121098.00	83360.00	89036.00	71201.00	71180.00	124357.00	123059.00	1.00	1.00	39275.00	39407.00	33147.00	35712.00	70176.00	67182.00	240458.00	114825.00	79480.00	83014.00	66348.00	62691.00	66144.00	65775.00
C24 H48 O6	139944.00	135601.00	114149.00	108198.00	161960.00	155727.00	94657.00	95530.00	150527.00	152711.00	110647.00	115056.00	141461.00	132199.00	134074.00	129381.00	160999.00	187334.00	138546.00	139419.00	175104.00	172674.00	207602.00	214566.00
N-Benzyloxycarbonylglycine	69668.00	72611.00	56910.00	57312.00	91370.00	90738.00	23123.00	24137.00	1.00	1.00	49625.00	51070.00	62707.00	59330.00	78464.00	76118.00	270664.00	122541.00	60839.00	60099.00	129038.00	133602.00	25567.00	27223.00
C11 H15 N8 O	18644.00	17069.00	12224.00	14001.00	1.00	1.00	11002.00	1.00	1.00	1.00	14107.00	18381.00	12187.00	11973.00	1.00	1.00	239677.00	24091.00	13316.00	12828.00	17139.00	15755.00	1.00	1.00
para-Benzoquinone dioxime	60748.00	60150.00	25295.00	91350.00	47899.00	48541.00	59746.00	67357.00	155405.00	151112.00	32197.00	33641.00	96345.00	95281.00	122224.00	117456.00	265609.00	171311.00	205304.00	203097.00	45516.00	32402.00	40020.00	32650.00
9-O-Demethyl-2alpha-hydroxyhomolycorine	1.00	1.00	117027.00	112636.00	191912.00	192059.00	25381.00	19323.00	1.00	1.00	1.00	1.00	104612.00	90424.00	210688.00	183214.00	233065.00	200938.00	78985.00	75742.00	122307.00	126019.00	24764.00	26661.00
C23 H47 N8 O4 Esi+1.2560004	2984368.00	2983592.00	2975790.00	3011401.00	3042126.00	3185321.00	2988982.00	3050529.00	489293.00	470097.00	2930428.00	2216514.00	3069624.00	2779724.00	2949680.00	3032197.00	3053793.00	470669.00	3028138.00	3112113.00	3107993.00	3273756.00	3067357.00	501016.00
3-(N-Nitrosomethylamino)propionitrile	251748.00	248010.00	218850.00	214250.00	226410.00	224734.00	228273.00	229389.00	51601.00	48540.00	199049.00	191623.00	224520.00	217972.00	246422.00	263838.00	71638.00	258138.00	260399.00	256720.00	247411.00	247103.00	206685.00	211404.00
C35 H77 N14 O3	188988.00	194933.00	216696.00	214125.00	186710.00	175862.00	171449.00	176326.00	154653.00	161188.00	174132.00	163428.00	198335.00	201026.00	244150.00	247476.00	221346.00	171298.00	205081.00	202659.00	186497.00	185332.00	234086.00	237258.00
Sarcosine	76018.00	69161.00	55407.00	57749.00	62489.00	58208.00	65327.00	59910.00	11180.00	1.00	56106.00	62442.00	57702.00	54918.00	97219.00	77164.00	269675.00	71650.00	71840.00	72492.00	69789.00	70527.00	55059.00	58929.00
L-Leucine	107732.00	103322.00	139235.00	136374.00	100154.00	102804.00	89063.00	82129.00	40128.00	77302.00	98292.00	103176.00	105827.00	100838.00	214137.00	180346.00	258800.00	63315.00	119750.00	121466.00	110754.00	114722.00	121722.00	121107.00
(3-Phenylpropionyl)glycine methyl ester	289364.00	303321.00	244394.00	265645.00	234605.00	302403.00	262224.00	253910.00	233984.00	243031.00	246339.00	264152.00	272119.00	294211.00	289163.00	256656.00	299188.00	261538.00	305932.00	324607.00	273916.00	311660.00	250817.00	245643.00
Phillipsiaxanthin/ 1,1'-(OH)2-2,2'-diketo-3,4,3',4'-tetradehydrolycopene	143851.00	141382.00	60084.00	62668.00	102176.00	81141.00	22230.00	27153.00	210714.00	211975.00	52158.00	50214.00	145738.00	146447.00	89864.00	89511.00	165916.00	189614.00	46982.00	48629.00	112900.00	112565.00	182374.00	182872.00
C20 H36 N3	40020.00	43732.00	30721.00	32765.00	82178.00	77894.00	37342.00	37436.00	97081.00	95305.00	54758.00	55164.00	105819.00	103483.00	126776.00	123056.00	49233.00	51201.00	111585.00	115310.00	76929.00	71109.00	66247.00	64892.00
C43 H25 N8 O3	34760.00	66243.00	29615.00	67442.00	119023.00	261509.00	77004.00	84072.00	15252.00	35901.00	46339.00	72739.00	62109.00	61689.00	64898.00	133574.00	78403.00	59856.00	51134.00	60894.00	48791.00	55268.00	47440.00	47170.00
Methocarbamol	40751.00	46493.00	24963.00	26114.00	32656.00	30710.00	25227.00	22826.00	123792.00	132354.00	24626.00	30588.00	22647.00	26547.00	24246.00	29000.00	42606.00	15814.00	24947.00	23330.00	21938.00	20910.00	243097.00	239735.00
Leu Ala Esi+7.201003	54578.00	51081.00	56460.00	56113.00	54130.00	54117.00	29220.00	29774.00	1.00	1.00	35677.00	39685.00	58333.00	59125.00	40913.00	36686.00	250739.00	56783.00	43784.00	42854.00	47966.00	46646.00	26214.00	25093.00
L-Isoleucine	139580.00	132161.00	133008.00	135891.00	105014.00	108310.00	95897.00	82280.00	45670.00	75593.00	98292.00	106950.00	97959.00	111929.00	202737.00	188760.00	243620.00	96640.00	121197.00	118273.00	109444.00	117032.00	121407.00	122089.00
?-Glutamyl-?-aminopropiononitrile	46754.00	46996.00	61806.00	61704.00	74374.00	69172.00	86440.00	74853.00	1.00	1.00	64196.00	76245.00	69771.00	64066.00	85794.00	69461.00	458516.00	76728.00	76207.00	71022.00	74862.00	73568.00	96840.00	91571.00
2(3H)-Furanone Esi+2.5750003	168803.00	445946.00	472954.00	422799.00	537965.00	535803.00	613332.00	534398.00	1.00	1.00	433828.00	526864.00	500068.00	481220.00	629654.00	513593.00	536772.00	593005.00	544855.00	532568.00	614005.00	570825.00	259214.00	271202.00
Xestoaminol C	30744.00	31522.00	23475.00	23736.00	16184.00	25801.00	17393.00	28781.00	58449.00	50871.00	28672.00	12221.00	231840.00	226029.00	29998.00	19544.00	84378.00	90178.00	1.00	1.00	36195.00	1.00	1.00	1.00
Fraxin	24647.00	51173.00	22378.00	53162.00	90064.00	175383.00	56405.00	69055.00	12431.00	25309.00	32358.00	54332.00	45574.00	45616.00	46786.00	96233.00	57706.00	45111.00	39090.00	53991.00	36366.00	43782.00	32904.00	33482.00
C21 H44 O8 Esi+1.2630004	3628635.00	3596466.00	3602460.00	3652413.00	3713467.00	3723431.00	3676825.00	3671857.00	572584.00	523776.00	3639186.00	3660807.00	3645751.00	3606720.00	3679303.00	3447802.00	3756061.00	3406072.00	3738816.00	3738153.00	3454393.00	3688720.00	3694444.00	573556.00
C18 H38 O7 Esi+1.5414737	1.00	203514.00	195229.00	297515.00	246809.00	313944.00	219571.00	227347.00	1.00	1.00	211658.00	1.00	304945.00	212947.00	299382.00	1.00	656395.00	208317.00	333500.00	1.00	201687.00	234368.00	1.00	1.00
3-(3'-Methylthio)propylmalic acid	19862.00	43009.00	16066.00	41678.00	74356.00	127581.00	44751.00	51318.00	1.00	21321.00	25285.00	43794.00	35927.00	36218.00	37743.00	72517.00	51802.00	37108.00	29676.00	43220.00	32599.00	32183.00	23872.00	26565.00
C22 H2 N O21 S	54149.00	51581.00	52681.00	52698.00	53368.00	51933.00	58534.00	52970.00	1.00	1.00	50319.00	57608.00	56227.00	51797.00	57462.00	51178.00	220969.00	52405.00	53226.00	52402.00	53153.00	52898.00	39057.00	40064.00
C10 H22 O4	139100.00	144976.00	227981.00	230278.00	102118.00	99239.00	168236.00	167093.00	134174.00	139424.00	167180.00	175590.00	152421.00	151711.00	148377.00	143612.00	164335.00	167319.00	158206.00	155103.00	127441.00	134809.00	208445.00	204219.00
C40 H81 N2 O10 S Esi+5.1770015	3613895.00	3593738.00	259249.00	252636.00	235155.00	239616.00	140886.00	134609.00	2276185.00	2262925.00	129827.00	127954.00	1155446.00	1132330.00	313924.00	310263.00	384668.00	411690.00	128003.00	125964.00	158243.00	157040.00	185711.00	185538.00
C22 H4 O26 S	47145.00	43951.00	48890.00	49914.00	48747.00	47383.00	54927.00	45611.00	1.00	1.00	43944.00	49966.00	50043.00	46988.00	50312.00	46198.00	212963.00	48738.00	47674.00	49016.00	50342.00	48448.00	35142.00	36303.00
C52 H25 N9	28823.00	52180.00	21955.00	43145.00	99257.00	247103.00	57295.00	59227.00	12272.00	27096.00	31864.00	49892.00	53099.00	49058.00	53041.00	97846.00	62615.00	47178.00	37984.00	43132.00	41732.00	39102.00	38963.00	37984.00
C27 H51 N O7	85667.00	407320.00	74193.00	54340.00	166870.00	167765.00	69015.00	418469.00	62370.00	62615.00	74486.00	434103.00	143963.00	132108.00	403558.00	76323.00	79725.00	80605.00	425151.00	436194.00	68709.00	72548.00	445293.00	70149.00
2-Formyloxymethylclavam	20456.00	17800.00	14486.00	13709.00	11233.00	11549.00	17008.00	10424.00	1.00	1.00	14269.00	19482.00	14589.00	12880.00	18917.00	11421.00	226098.00	16909.00	16250.00	14612.00	17559.00	16279.00	10795.00	13095.00
Carboxynorspermidine	111297.00	100271.00	26630.00	26782.00	39185.00	36298.00	17148.00	15726.00	69452.00	72111.00	25446.00	29966.00	38879.00	40795.00	63093.00	54809.00	222992.00	34921.00	43918.00	46373.00	23782.00	23005.00	28280.00	28253.00
C18 H38 O4	14030.00	17969.00	33312.00	31265.00	34640.00	36048.00	18884.00	24761.00	24402.00	22469.00	29977.00	25532.00	39220.00	38567.00	176301.00	166735.00	37536.00	41382.00	13150.00	20206.00	1.00	1.00	31293.00	28809.00
C28 H63 N4 O10	141228.00	748361.00	729886.00	143620.00	152362.00	746831.00	141437.00	752921.00	148260.00	150688.00	136104.00	523285.00	155954.00	155173.00	149795.00	161920.00	149351.00	759543.00	135088.00	773203.00	168003.00	745158.00	756673.00	756227.00
C15 H32 N2 O2	50451.00	55422.00	14445.00	15050.00	63372.00	59992.00	20509.00	20821.00	49747.00	52059.00	43742.00	43091.00	86693.00	93471.00	74414.00	74744.00	34521.00	38259.00	28877.00	29870.00	33474.00	32299.00	40346.00	49272.00
C12 H22 N3 O6 S	13939.00	13615.00	25646.00	24138.00	24773.00	27710.00	43719.00	39429.00	1.00	1.00	44254.00	46256.00	19848.00	21871.00	33988.00	30582.00	203057.00	48276.00	31457.00	31987.00	52453.00	54154.00	21785.00	22280.00
1,4-Dioxane	73675.00	73401.00	41134.00	41230.00	75233.00	77357.00	133178.00	131972.00	22204.00	24709.00	144204.00	151388.00	30200.00	32030.00	94836.00	99379.00	17711.00	16362.00	26054.00	25880.00	109549.00	111716.00	31909.00	38691.00
C31 H61 N4 O9	546250.00	312640.00	565270.00	572577.00	640855.00	289210.00	179273.00	573573.00	141319.00	140394.00	317304.00	259014.00	220545.00	266894.00	174900.00	218373.00	165234.00	572377.00	245526.00	271838.00	580865.00	587029.00	589204.00	569840.00
Propionyl-L-carnitine	131715.00	128722.00	30366.00	30744.00	48216.00	49327.00	37318.00	34875.00	53388.00	51376.00	20521.00	22369.00	39550.00	36928.00	116767.00	116303.00	202885.00	95015.00	51933.00	55102.00	34784.00	34247.00	37399.00	35567.00
C12 H22 N2 O2	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	18931.00	13657.00	124442.00	137818.00	30609.00	26618.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
L-beta-aspartyl-L-alanine	50508.00	49670.00	39839.00	44897.00	52270.00	52802.00	38377.00	33231.00	1.00	1.00	68831.00	79382.00	78816.00	68668.00	66957.00	61095.00	396397.00	51046.00	67204.00	66463.00	59953.00	56840.00	82206.00	85337.00
Militarinone A	3558418.00	3546800.00	2641006.00	2662671.00	2969258.00	2954238.00	5311378.00	5362937.00	3253432.00	3229236.00	2269080.00	2259402.00	3140742.00	3083004.00	2368885.00	2358872.00	3620119.00	3685482.00	2793037.00	2802755.00	3248542.00	3126462.00	2823187.00	2847194.00
C27 H57 N11 O5	1.00	162477.00	132382.00	74339.00	1.00	152004.00	1.00	167240.00	1.00	1.00	102620.00	162139.00	115552.00	1.00	1.00	79018.00	166999.00	157015.00	173957.00	160407.00	170232.00	175274.00	172213.00	127244.00
Neosakuranin	24285.00	24108.00	138930.00	138161.00	137983.00	133762.00	165478.00	165720.00	26748.00	24955.00	175990.00	169378.00	70371.00	72091.00	67042.00	71148.00	137849.00	59982.00	134676.00	135219.00	138510.00	145953.00	32279.00	34903.00
Clitidine	113569.00	102394.00	106427.00	103841.00	132337.00	133408.00	151534.00	135299.00	1.00	1.00	150196.00	191177.00	140015.00	127060.00	128784.00	100217.00	21497.00	138062.00	144726.00	138465.00	148664.00	148332.00	74603.00	75488.00
C13 H28 O4	126708.00	122102.00	167950.00	167987.00	83736.00	86975.00	123291.00	116789.00	132842.00	131074.00	140027.00	135684.00	145032.00	142535.00	90225.00	93686.00	147773.00	158175.00	113214.00	115250.00	108540.00	109220.00	116790.00	117414.00
3-Methylcytosine	139376.00	145843.00	101691.00	94727.00	63984.00	86873.00	33570.00	30297.00	1.00	1.00	131721.00	139471.00	119726.00	108502.00	99923.00	90657.00	1194575.00	89027.00	135131.00	130412.00	110264.00	107467.00	39187.00	33685.00
C12 H20 N2 O14	13965.00	17167.00	1.00	1.00	11771.00	11742.00	1.00	1.00	1.00	1.00	1.00	1.00	13564.00	13225.00	1.00	12753.00	1.00	1.00	1.00	1.00	1.00	1.00	46700.00	44875.00
C28 H47 N3 O6	167455.00	165364.00	12042.00	12530.00	12556.00	11732.00	1.00	1.00	87485.00	90846.00	9979.00	1.00	66840.00	62133.00	24636.00	21739.00	112251.00	25151.00	1.00	1.00	1.00	1.00	1.00	1.00
C8 H4 O3	118150.00	116827.00	148632.00	143437.00	115562.00	111969.00	179762.00	190645.00	118011.00	117323.00	184142.00	180316.00	125087.00	135795.00	146435.00	140356.00	94091.00	102809.00	134101.00	138882.00	115275.00	114705.00	123300.00	130107.00
C8 N2 O S	81562.00	83615.00	83430.00	79928.00	81748.00	80675.00	88826.00	79067.00	1.00	11115.00	83485.00	88936.00	83091.00	85088.00	86145.00	81535.00	206410.00	84956.00	82572.00	82799.00	82596.00	86107.00	70571.00	65878.00
Melamine	18205.00	24801.00	25468.00	26152.00	14172.00	30471.00	25433.00	21973.00	215121.00	207948.00	191142.00	184276.00	42962.00	44454.00	18613.00	15200.00	18682.00	16614.00	26489.00	15535.00	1.00	1.00	36945.00	30134.00
C12 H17 N3 O13 S	66432.00	231169.00	260952.00	264714.00	265445.00	268091.00	58645.00	94131.00	1.00	1.00	98946.00	275716.00	270622.00	264640.00	276581.00	259010.00	1.00	261310.00	47929.00	264667.00	264534.00	44953.00	1.00	1.00
L-O-Methylthreonine	60275.00	54670.00	47198.00	47570.00	48538.00	52448.00	58792.00	46161.00	1.00	1.00	43018.00	54354.00	51163.00	42886.00	77040.00	62738.00	198921.00	59151.00	58925.00	56280.00	55894.00	53139.00	47718.00	47064.00
Trovafloxacin	23066.00	36493.00	15726.00	28376.00	76191.00	205983.00	39129.00	39225.00	9771.00	17669.00	23839.00	33183.00	37967.00	36251.00	40287.00	69459.00	46943.00	30311.00	25791.00	27162.00	30811.00	24324.00	26989.00	23126.00
C30 H65 N25 O2	712126.00	722256.00	77889.00	73238.00	48655.00	50949.00	35066.00	35646.00	633890.00	443104.00	21384.00	21609.00	282752.00	279700.00	72664.00	102858.00	289817.00	85060.00	23936.00	23476.00	32142.00	33531.00	30846.00	32762.00
C7 H14 N2 O	77841.00	397654.00	367948.00	85495.00	97363.00	83306.00	74069.00	90679.00	89425.00	324220.00	400914.00	359211.00	219331.00	370254.00	83210.00	92075.00	322816.00	80658.00	80885.00	405449.00	389011.00	418728.00	76596.00	68676.00
C18 H40 N3 O4	18383.00	18051.00	22206.00	30116.00	27936.00	29968.00	19589.00	23035.00	28785.00	30634.00	18868.00	24596.00	23635.00	21540.00	168916.00	165508.00	45638.00	42193.00	25212.00	25306.00	22314.00	1.00	33365.00	27780.00
C13 H10 N5 O7	65412.00	56709.00	59556.00	54030.00	47586.00	49699.00	61941.00	47542.00	1.00	1.00	55378.00	67813.00	50451.00	42564.00	57225.00	43193.00	165229.00	46603.00	46951.00	45708.00	48783.00	44665.00	50797.00	50955.00
C9 H17 N4 O2 S	137363.00	133472.00	183721.00	186727.00	174968.00	170796.00	102407.00	100411.00	1.00	1.00	113170.00	118700.00	172854.00	165392.00	235459.00	202254.00	55513.00	161206.00	137634.00	132716.00	127169.00	134583.00	99637.00	98933.00
C25 H4 O28 S	39909.00	36373.00	39227.00	38123.00	38069.00	35481.00	42700.00	37439.00	1.00	1.00	37163.00	44599.00	38962.00	36653.00	44171.00	37647.00	172840.00	38357.00	37862.00	37960.00	38009.00	38838.00	28550.00	29294.00
C37 H75 N2 O9 S	188275.00	187618.00	1.00	1.00	1.00	10524.00	1.00	1.00	125196.00	126654.00	1.00	1.00	14368.00	14673.00	1.00	1.00	11733.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C6 H15 N O6 Esi+2.7559998 :1	2892378.00	2547733.00	377642.00	919615.00	1252011.00	1225911.00	1704997.00	1464835.00	104969.00	105122.00	1136801.00	1525650.00	1317606.00	1100118.00	1649199.00	371618.00	35100000.00	1557137.00	1218990.00	437705.00	1479356.00	1428825.00	4555204.00	4314327.00
C25 H44 S	1.00	19304.00	21265.00	23311.00	53610.00	62229.00	157890.00	150408.00	40486.00	42239.00	1.00	1.00	71362.00	61003.00	33549.00	36480.00	49181.00	56166.00	18973.00	21773.00	26829.00	27873.00	29944.00	29439.00
C21 H49 N4 O5	22658.00	23282.00	34925.00	19131.00	54667.00	58625.00	153573.00	159840.00	81167.00	77195.00	36595.00	31944.00	56586.00	38492.00	34417.00	35119.00	51635.00	55055.00	37583.00	43207.00	40969.00	50773.00	47949.00	43879.00
C37 H21 N4 O2	26690.00	58219.00	23149.00	62030.00	99339.00	186150.00	62983.00	72816.00	12728.00	26857.00	35101.00	67045.00	52255.00	49881.00	56283.00	112437.00	64623.00	49928.00	43613.00	56586.00	41342.00	44604.00	35041.00	32958.00
C33 H65 N4 O10	504105.00	1.00	525477.00	539545.00	392975.00	276793.00	577124.00	508521.00	478819.00	458456.00	581966.00	551497.00	355158.00	399524.00	491510.00	542865.00	584933.00	288607.00	447862.00	556369.00	551906.00	505916.00	531358.00	608250.00
Oleoyl Ethyl Amide	17787.00	32574.00	25043.00	57543.00	47416.00	49514.00	26830.00	24556.00	27863.00	29881.00	42967.00	36706.00	74726.00	76039.00	48684.00	49344.00	73790.00	12355.00	13821.00	20613.00	18261.00	19860.00	82715.00	14309.00
alpha-Methylstyrene Esi+1.1229997	388176.00	386171.00	245110.00	245092.00	400545.00	379249.00	383129.00	376962.00	453424.00	453490.00	247938.00	244560.00	339291.00	343563.00	259927.00	271006.00	384365.00	406499.00	276244.00	275809.00	360932.00	349072.00	305124.00	303752.00
C48 H92 O9	177647.00	177504.00	16675.00	14891.00	15250.00	17026.00	1.00	11138.00	163239.00	159016.00	1.00	1.00	50140.00	48713.00	22137.00	24962.00	49258.00	32367.00	1.00	1.00	1.00	1.00	20424.00	19736.00
C45 H75 N12 O2	194345.00	195649.00	1.00	1.00	1.00	1.00	1.00	1.00	108810.00	113203.00	1.00	1.00	14105.00	15846.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
Glucolepidiin	408856.00	55980.00	182510.00	458160.00	429487.00	160297.00	447974.00	441997.00	1.00	1.00	177918.00	467604.00	466944.00	173231.00	464626.00	437812.00	1.00	64962.00	444702.00	443788.00	445645.00	439160.00	363448.00	358591.00
Acremoauxin A Esi+2.9910002	184618.00	127813.00	475418.00	461527.00	121099.00	118729.00	183601.00	127112.00	1.00	1.00	115314.00	193586.00	468276.00	464335.00	208808.00	118505.00	1.00	106693.00	335415.00	111085.00	108834.00	104890.00	64323.00	298047.00
CAY10621	76947.00	79275.00	155652.00	140930.00	81918.00	74986.00	181734.00	167503.00	45526.00	59036.00	165880.00	160596.00	214384.00	217218.00	123776.00	256566.00	61010.00	32062.00	144207.00	135339.00	82835.00	86098.00	67729.00	83512.00
alpha,4,2'-Trihydroxy-4-O-geranyldihydrochalcone	163516.00	166927.00	111541.00	105787.00	179271.00	169795.00	138627.00	134760.00	197168.00	199839.00	106279.00	103878.00	142362.00	140164.00	114392.00	111700.00	170715.00	175549.00	113785.00	112636.00	148979.00	142386.00	118131.00	124279.00
2-Hydroxyglutarate	10306.00	21117.00	1.00	21445.00	43874.00	72366.00	22825.00	23664.00	1.00	11663.00	12680.00	21126.00	20586.00	16074.00	18876.00	41621.00	24324.00	17311.00	15775.00	19887.00	13841.00	16325.00	12816.00	11485.00
C9 H9 N2 O	60130.00	72432.00	134182.00	132293.00	119273.00	110402.00	108312.00	112966.00	1.00	1.00	104347.00	95436.00	134882.00	132815.00	113730.00	112436.00	1.00	79879.00	99493.00	105401.00	85822.00	89201.00	90950.00	135913.00
2,6-Diethylaniline	75554.00	84291.00	47363.00	21729.00	47712.00	68600.00	67324.00	70035.00	1.00	1.00	101395.00	77818.00	94178.00	70133.00	58051.00	53515.00	1.00	56529.00	48177.00	98700.00	57467.00	58034.00	49450.00	54307.00
C6 H15 N O	61292.00	155907.00	22061.00	1.00	5323.00	57023.00	24484.00	29040.00	34028.00	24235.00	16755.00	12320.00	12376.00	1.00	12287.00	65177.00	63942.00	10964.00	14920.00	19399.00	38953.00	52803.00	27100.00	27742.00
C22 H47 N4 O2	1.00	1.00	12557.00	13879.00	1.00	1.00	1.00	1.00	1.00	10524.00	1.00	1.00	11864.00	13986.00	1.00	1.00	128261.00	138350.00	1.00	1.00	1.00	1.00	1.00	1.00
C27 H53 N4 O7 Esi+1.5130004	116480.00	127154.00	70552.00	134122.00	142231.00	87857.00	56847.00	68591.00	1.00	1.00	133486.00	125950.00	129350.00	139741.00	81946.00	97876.00	71356.00	68399.00	123995.00	70203.00	128616.00	1.00	125435.00	1.00
C22 H39 N11	192285.00	172488.00	802168.00	702707.00	123311.00	124097.00	728539.00	1146271.00	490155.00	499956.00	161575.00	671380.00	59607.00	449090.00	208298.00	158374.00	202730.00	713905.00	699695.00	735148.00	179681.00	721233.00	1250512.00	809748.00
Phenylmethyl methyl ketone	130351.00	133314.00	88894.00	89661.00	132590.00	134361.00	157213.00	149449.00	154255.00	154658.00	86032.00	88855.00	117400.00	123295.00	93522.00	93853.00	139458.00	150215.00	93308.00	100051.00	130907.00	128090.00	117646.00	118700.00
2-oxo-heneicosanoic acid	81575.00	75774.00	70321.00	67484.00	75167.00	79508.00	68310.00	62901.00	83904.00	87072.00	72569.00	70757.00	73202.00	61094.00	83062.00	82436.00	82892.00	76744.00	74337.00	73196.00	89589.00	85757.00	150608.00	143321.00
Meloxicam	23863.00	22647.00	27133.00	27050.00	27512.00	27082.00	27990.00	28484.00	1.00	1.00	26383.00	30004.00	26786.00	27176.00	28813.00	25042.00	163569.00	27315.00	26250.00	24658.00	29688.00	27320.00	25813.00	24573.00
Hydroxyanastrozole	89896.00	85090.00	83834.00	81148.00	99839.00	101273.00	114264.00	106710.00	1.00	1.00	127936.00	141947.00	77247.00	71457.00	91884.00	67021.00	1.00	110136.00	89099.00	85806.00	148843.00	153084.00	60067.00	59099.00
C13 H25 N O3	28200.00	26096.00	38259.00	39847.00	48642.00	46290.00	34584.00	31545.00	43735.00	42806.00	55152.00	54340.00	66953.00	68697.00	70407.00	66593.00	49495.00	51975.00	52034.00	48482.00	107142.00	93257.00	129077.00	115820.00
Nitrothal-isopropyl Esi+2.566001	78635.00	87463.00	1836778.00	1846886.00	142931.00	138743.00	98502.00	1072983.00	1.00	1.00	755255.00	848927.00	2165158.00	2118935.00	2611984.00	2497927.00	694883.00	102727.00	122901.00	117210.00	846817.00	848192.00	1188931.00	1237163.00
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol	17079.00	1.00	98721.00	101410.00	46857.00	47122.00	48518.00	37649.00	1.00	1.00	1.00	12170.00	134696.00	128717.00	145943.00	141792.00	1.00	30558.00	54315.00	51475.00	29128.00	31626.00	35852.00	39548.00
Methionine	141359.00	140268.00	90022.00	89710.00	111675.00	113067.00	117825.00	116218.00	1.00	1.00	84312.00	85115.00	155121.00	156492.00	157708.00	151200.00	131783.00	100381.00	79097.00	81455.00	100522.00	105422.00	69766.00	69844.00
C37 H23 N24 O3	12739.00	24472.00	10611.00	16103.00	48089.00	126447.00	22121.00	24401.00	1.00	10461.00	15075.00	22836.00	23239.00	20167.00	23911.00	43671.00	29267.00	18576.00	15727.00	18275.00	19143.00	16196.00	16230.00	14748.00
C33 H43 N4 O5	134290.00	132789.00	144384.00	138012.00	156895.00	155904.00	121681.00	127503.00	131305.00	127712.00	112508.00	111381.00	93551.00	87617.00	93349.00	95819.00	130277.00	132606.00	111736.00	117714.00	115548.00	116482.00	71992.00	71224.00
C20 H41 N8 O3 Esi+1.2630004	2761104.00	2755265.00	2763238.00	2789407.00	2844575.00	2841598.00	2807944.00	2803676.00	439072.00	405102.00	2787429.00	2814205.00	2618799.00	2761749.00	3061053.00	2806675.00	2875927.00	2810699.00	2867570.00	2851960.00	2842322.00	2777232.00	2824067.00	2840865.00
Tributyrin	12669.00	11599.00	27860.00	29620.00	18043.00	17315.00	11526.00	9718.00	69586.00	70829.00	16373.00	14639.00	41781.00	43074.00	1.00	1.00	41371.00	40065.00	43850.00	39002.00	1.00	1.00	33825.00	36038.00
C8 H18 O3	68024.00	111235.00	79147.00	87634.00	53101.00	51015.00	55320.00	57275.00	148317.00	149118.00	75395.00	81283.00	66000.00	64667.00	59729.00	56056.00	70754.00	57012.00	51907.00	79720.00	93047.00	50853.00	66024.00	53708.00
C25 H36 N17 O5 Esi+1.6049997	18347.00	20605.00	130095.00	127122.00	113612.00	116970.00	147787.00	143559.00	17583.00	18466.00	160793.00	151975.00	63653.00	70677.00	57226.00	54820.00	164405.00	45325.00	110803.00	115258.00	111486.00	115735.00	20530.00	18080.00
2,6-Diethylaniline Esi+4.053083	351656.00	179929.00	413752.00	304634.00	219438.00	297261.00	69348.00	1.00	1.00	704037.00	85057.00	149052.00	132204.00	338908.00	595754.00	642821.00	237865.00	419269.00	325262.00	246498.00	297990.00	309882.00	237868.00	386922.00
C9 H20 N4 O6	16268.00	14323.00	1.00	14816.00	15398.00	16741.00	1.00	1.00	1.00	1.00	21161.00	28809.00	21966.00	21022.00	23279.00	16312.00	254515.00	14961.00	20710.00	21362.00	18578.00	20444.00	24438.00	24526.00
C42 H81 N5 O3 S2	168736.00	162388.00	24444.00	25018.00	1.00	1.00	1.00	1.00	69144.00	70494.00	1.00	1.00	48792.00	46278.00	23364.00	23069.00	26203.00	21942.00	1.00	1.00	1.00	1.00	17674.00	16540.00
C21 H48 N3 S2	34456.00	31588.00	24492.00	26746.00	57347.00	58212.00	26467.00	23247.00	46365.00	50079.00	24447.00	26777.00	33093.00	25715.00	139394.00	141154.00	47924.00	56227.00	24931.00	26813.00	20979.00	27220.00	38502.00	41127.00
L-2-Aminobutyric acid	107340.00	26999.00	1.00	1.00	58938.00	1.00	1.00	1.00	1.00	17138.00	1.00	1.00	16999.00	1.00	20014.00	17630.00	215792.00	1.00	1.00	13133.00	1.00	1.00	1.00	1.00
C57 H43 N5 O2 S3	10794.00	17004.00	1.00	11575.00	41673.00	119117.00	17820.00	17662.00	1.00	8992.00	10572.00	13998.00	24363.00	22803.00	22917.00	33034.00	26153.00	12539.00	12676.00	12500.00	14422.00	10304.00	12857.00	10160.00
C48 H90 N3 O8 S3	126928.00	114305.00	1.00	1.00	1.00	1.00	1.00	1.00	11297.00	11343.00	1.00	1.00	16096.00	12199.00	28092.00	24402.00	21800.00	25240.00	1.00	1.00	1.00	1.00	11586.00	10623.00
C30 H25 N20 O7	14904.00	29186.00	12455.00	24613.00	55829.00	128286.00	29234.00	33884.00	1.00	15114.00	18002.00	27727.00	25819.00	26429.00	28829.00	55301.00	32214.00	24273.00	21308.00	26834.00	21454.00	20379.00	21016.00	20529.00
C14 H30 O8	59790.00	61465.00	30705.00	36453.00	131044.00	126253.00	98769.00	110329.00	129442.00	137924.00	67434.00	62635.00	116190.00	112883.00	67543.00	78922.00	36725.00	82246.00	63118.00	73455.00	73035.00	48544.00	47419.00	47429.00
C8 H14 N7	86868.00	83067.00	41269.00	38897.00	70240.00	62602.00	130733.00	123727.00	43696.00	43378.00	162282.00	152706.00	18649.00	16336.00	99024.00	100063.00	59910.00	32890.00	34382.00	25499.00	101825.00	100342.00	32189.00	31824.00
?-Hexalactone	102615.00	94285.00	24291.00	25617.00	18389.00	19208.00	13024.00	12492.00	66511.00	67333.00	117891.00	129280.00	45083.00	45939.00	88123.00	88820.00	39493.00	43827.00	50597.00	50344.00	101298.00	95348.00	41033.00	40425.00
Anandamide (20:l, n-9)	19727.00	21657.00	13701.00	14762.00	32721.00	35614.00	17778.00	17676.00	27820.00	30263.00	28946.00	29058.00	36502.00	34753.00	39422.00	38703.00	15144.00	19311.00	23022.00	23070.00	28131.00	26530.00	27079.00	20453.00
HBA	85442.00	83724.00	66293.00	67543.00	61208.00	59064.00	56781.00	57982.00	1.00	1.00	58832.00	55589.00	53399.00	57144.00	49610.00	52003.00	149808.00	101090.00	54439.00	57173.00	57680.00	57863.00	38492.00	37449.00
C9 H21 N3 O	18326.00	15456.00	1.00	11877.00	1.00	13448.00	1.00	1.00	1.00	1.00	1.00	15698.00	18002.00	14494.00	20783.00	12651.00	144103.00	12077.00	1.00	12062.00	12716.00	1.00	1.00	1.00
Dihydrojasmonic Acid, Methyl Ester	116300.00	128131.00	118844.00	92385.00	129125.00	116091.00	129186.00	131894.00	70204.00	118891.00	138401.00	133138.00	122401.00	125244.00	119213.00	122627.00	104077.00	104151.00	131887.00	131468.00	143619.00	128047.00	118536.00	116942.00
C8 H4 O11 S	51231.00	51166.00	50631.00	51370.00	48837.00	49094.00	53414.00	50385.00	1.00	1.00	50344.00	54365.00	52944.00	49452.00	55153.00	48707.00	143356.00	50537.00	50191.00	51801.00	49996.00	49202.00	40059.00	39218.00
C9 H17 N3 O	268409.00	310531.00	274786.00	371645.00	261872.00	238110.00	284683.00	108327.00	165906.00	149953.00	161186.00	233628.00	225846.00	297711.00	223388.00	331418.00	232405.00	306612.00	329082.00	304586.00	235780.00	253666.00	315068.00	285326.00
N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine	77481.00	81501.00	136719.00	142436.00	74987.00	72335.00	96100.00	97578.00	1.00	1.00	105632.00	106434.00	97246.00	92581.00	63842.00	58588.00	142092.00	68551.00	114319.00	115444.00	91631.00	95542.00	43783.00	47273.00
C29 H57 N4 O8 Esi+1.5950001	1.00	94662.00	1.00	1.00	50160.00	61678.00	86920.00	1.00	1.00	1.00	1.00	1.00	58317.00	67530.00	1.00	62017.00	1.00	1.00	1.00	96105.00	1.00	1.00	91197.00	1.00
7-Aminomethyl-7-carbaguanine Esi+2.8540003	170427.00	194096.00	137607.00	1.00	215177.00	188896.00	249447.00	232712.00	32656.00	61318.00	168459.00	212272.00	491002.00	473185.00	158570.00	177478.00	9394081.00	151232.00	198839.00	184148.00	210346.00	231163.00	1295163.00	1264487.00
1,4-Dioxane Esi+1.6609995	104993.00	107405.00	100452.00	101226.00	118704.00	125997.00	148774.00	149145.00	54818.00	57901.00	128598.00	134731.00	76075.00	76457.00	122038.00	125665.00	92286.00	67469.00	91940.00	90723.00	138655.00	144224.00	68993.00	76985.00
C24 H34 N16 O7	98468.00	103604.00	82781.00	80333.00	89434.00	83229.00	72382.00	70892.00	132790.00	118839.00	74698.00	78506.00	110332.00	116069.00	95864.00	91066.00	83868.00	143820.00	76925.00	76511.00	119825.00	117680.00	118322.00	120381.00
3-hexenal	155582.00	142799.00	111035.00	92646.00	161167.00	161191.00	118739.00	119573.00	117507.00	118209.00	186121.00	181740.00	140784.00	146145.00	169531.00	163795.00	106125.00	100131.00	92090.00	89048.00	146981.00	151356.00	141221.00	148892.00
C21 H48 N4 O5	73371.00	67697.00	275613.00	37856.00	171041.00	219729.00	210744.00	210728.00	177770.00	167893.00	287334.00	263287.00	153486.00	220782.00	151044.00	127512.00	62882.00	76288.00	310656.00	293718.00	103894.00	244353.00	354299.00	185872.00
6-Benzylaminopurine	16099.00	16101.00	22249.00	24027.00	26663.00	25613.00	30509.00	28936.00	1.00	1.00	33166.00	31718.00	17656.00	16964.00	23040.00	20181.00	144234.00	40194.00	28637.00	30969.00	47381.00	46003.00	22575.00	22294.00
2-Amino-2-methyl-1-propanol	81093.00	84922.00	69704.00	75578.00	82713.00	67960.00	99666.00	88528.00	162548.00	207840.00	29636.00	90862.00	90421.00	35338.00	87409.00	31175.00	151568.00	89568.00	84199.00	94194.00	76816.00	82149.00	73753.00	80228.00
C11 H18 N4 O	125760.00	126546.00	69810.00	62299.00	103771.00	115696.00	196449.00	193044.00	1.00	32693.00	229865.00	232785.00	45210.00	42308.00	148237.00	158013.00	1.00	1.00	42841.00	44136.00	161498.00	158286.00	54016.00	1.00
C29 H57 N4 O8 Esi+3.049001	257950.00	317568.00	476382.00	404053.00	347578.00	383918.00	432733.00	450943.00	947399.00	297956.00	375317.00	404964.00	261528.00	378824.00	351759.00	524713.00	58311.00	198042.00	436873.00	449438.00	250457.00	287512.00	580679.00	462414.00
Amphibine B	132027.00	133471.00	74030.00	71317.00	126356.00	104164.00	27749.00	32595.00	137585.00	134993.00	58694.00	55804.00	94364.00	96219.00	86598.00	85221.00	92141.00	117623.00	52704.00	54029.00	104753.00	108103.00	117591.00	123666.00
C14 H26 N7 O	66655.00	72471.00	144601.00	161757.00	80375.00	79049.00	80650.00	87845.00	67118.00	165216.00	123563.00	116204.00	84853.00	63452.00	88923.00	70852.00	170583.00	159013.00	158221.00	25630.00	44782.00	45883.00	67490.00	39808.00
?-Aminobutryic acid (GABA)	1.00	72175.00	78625.00	94213.00	70099.00	70083.00	65602.00	75686.00	66753.00	55926.00	85653.00	57387.00	61492.00	49274.00	58958.00	86428.00	151095.00	82094.00	56861.00	60179.00	68722.00	59807.00	85842.00	72430.00
3,4-Dihydroxybutyric acid	125487.00	105800.00	68601.00	68490.00	108660.00	105196.00	124419.00	86465.00	1.00	1.00	117520.00	190971.00	66350.00	1.00	73524.00	1.00	1.00	120888.00	102603.00	99151.00	154665.00	150545.00	103654.00	95841.00
C15 H22 N17 O4	131729.00	126891.00	128873.00	131038.00	107640.00	103255.00	134673.00	134678.00	114443.00	110586.00	119797.00	122663.00	118811.00	118590.00	112802.00	117178.00	102774.00	108481.00	119843.00	125101.00	127796.00	123684.00	111889.00	111710.00
decanamide	81944.00	85348.00	108978.00	109055.00	67320.00	67526.00	126143.00	126863.00	72501.00	73453.00	114008.00	114143.00	59344.00	61330.00	90509.00	91928.00	56279.00	64051.00	80306.00	81664.00	97591.00	91736.00	68894.00	71707.00
C40 H83 N4 O9 S	160499.00	150601.00	1.00	1.00	1.00	1.00	1.00	1.00	90144.00	91180.00	1.00	1.00	35395.00	35063.00	12775.00	1.00	15742.00	14295.00	1.00	1.00	1.00	1.00	1.00	1.00
Ser Ser	27456.00	96033.00	49871.00	49846.00	61474.00	61938.00	49632.00	44538.00	1.00	1.00	109341.00	143156.00	82361.00	76261.00	114266.00	97424.00	31348.00	70707.00	79414.00	75513.00	89083.00	88543.00	68955.00	69976.00
8-tridecynoic acid	431293.00	447705.00	131531.00	126937.00	573109.00	536845.00	246143.00	203664.00	342467.00	241045.00	362130.00	367894.00	618820.00	651255.00	552588.00	592268.00	232196.00	294839.00	206385.00	232803.00	250434.00	281152.00	326791.00	388886.00
C29 H34 N4 O6	88550.00	86970.00	69263.00	64797.00	82096.00	77730.00	139739.00	135343.00	75140.00	79653.00	61117.00	59400.00	81520.00	79882.00	61768.00	62957.00	99734.00	92095.00	76692.00	76608.00	86825.00	84914.00	67711.00	73512.00
C48 H72 N9 O7	124976.00	122288.00	14759.00	14790.00	1.00	1.00	1.00	1.00	88569.00	89452.00	1.00	1.00	39065.00	38891.00	13588.00	13687.00	24126.00	20058.00	1.00	1.00	1.00	1.00	1.00	1.00
3-(6'-Methylthio)hexylmalic acid Esi+2.939	67876.00	63507.00	102366.00	98326.00	99644.00	101811.00	102066.00	93038.00	1.00	1.00	103677.00	128729.00	107397.00	94488.00	127745.00	89331.00	1.00	94210.00	77018.00	78026.00	128288.00	123856.00	50975.00	53579.00
C48 H80 N11	140122.00	140638.00	1.00	1.00	1.00	1.00	1.00	1.00	123161.00	120034.00	1.00	1.00	30679.00	29074.00	14157.00	15144.00	36788.00	19981.00	1.00	1.00	1.00	1.00	1.00	1.00
O-Desacetylcephalothin	392191.00	1.00	161476.00	448395.00	63456.00	432566.00	424825.00	429116.00	1.00	1.00	430167.00	168749.00	445322.00	439422.00	162938.00	425982.00	1.00	427776.00	428753.00	421889.00	79088.00	427350.00	1.00	1.00
?-Hexalactone Esi+1.163	88865.00	68299.00	59187.00	49499.00	55687.00	60878.00	59996.00	51646.00	114465.00	112342.00	150029.00	131342.00	95897.00	82878.00	77220.00	81391.00	68710.00	77253.00	91488.00	83426.00	75088.00	86510.00	97460.00	103508.00
C42 H69 N4 O6	73121.00	74638.00	126585.00	121767.00	101415.00	82756.00	115188.00	112290.00	79465.00	81039.00	82712.00	81155.00	57841.00	57621.00	61704.00	60517.00	76851.00	77434.00	47610.00	46925.00	65539.00	65387.00	68641.00	65036.00
Creatinine Esi+7.0800014	40955.00	34086.00	24290.00	112819.00	18523.00	28037.00	37901.00	30806.00	1.00	1.00	29975.00	38155.00	27865.00	15852.00	39117.00	26610.00	63714.00	779125.00	84741.00	26721.00	19435.00	18501.00	30363.00	20216.00
Isobutylglycine	113710.00	110961.00	89317.00	88414.00	124461.00	116481.00	75934.00	77353.00	24258.00	24440.00	86517.00	90110.00	95436.00	94615.00	74774.00	76748.00	75824.00	104478.00	100253.00	93766.00	108484.00	108791.00	84687.00	88138.00
C35 H23 N14 O4	16275.00	32649.00	12606.00	29135.00	57167.00	127688.00	35037.00	39145.00	1.00	15212.00	21036.00	33689.00	29602.00	27454.00	31528.00	63106.00	35511.00	26515.00	23947.00	28504.00	23416.00	24508.00	23342.00	23866.00
C17 H26 N7 O	1.00	1.00	79680.00	81672.00	24520.00	26699.00	1.00	1.00	49434.00	58405.00	1.00	1.00	37626.00	46990.00	1.00	1.00	40501.00	45514.00	25011.00	17774.00	1.00	1.00	17480.00	14778.00
C28 H48 N3 O	104934.00	101423.00	97779.00	98082.00	137346.00	123608.00	91440.00	91837.00	15083.00	15182.00	1.00	1.00	18207.00	21456.00	73321.00	71191.00	1.00	1.00	29994.00	30507.00	62466.00	60115.00	64690.00	60078.00
C23 H53 N4 O6	25561.00	31424.00	19440.00	21373.00	43593.00	41594.00	104880.00	96589.00	46972.00	43619.00	29328.00	25331.00	40031.00	41148.00	28416.00	24034.00	48546.00	42575.00	37946.00	23769.00	29708.00	28268.00	29420.00	29068.00
C26 H36 N2 O6	97825.00	99298.00	69876.00	71812.00	110167.00	100797.00	134857.00	136092.00	105370.00	103619.00	72668.00	75195.00	93713.00	99131.00	78010.00	81231.00	104730.00	124818.00	91121.00	87209.00	104647.00	104175.00	103027.00	107282.00
C19 H39 N4	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	26638.00	28357.00	1.00	1.00	26590.00	26084.00	15729.00	14437.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
5-Hydroxymethyl-2-furaldehyde	21368.00	22153.00	19807.00	19513.00	24179.00	24706.00	16017.00	15917.00	1.00	1.00	34292.00	40241.00	33031.00	35082.00	34967.00	27323.00	194806.00	22267.00	31709.00	31693.00	26720.00	28175.00	40506.00	41816.00
Chamazulene	79754.00	77445.00	84629.00	90137.00	65385.00	72907.00	124706.00	126487.00	1.00	1.00	33779.00	33341.00	95519.00	106785.00	47076.00	42123.00	1.00	60372.00	65032.00	67317.00	44315.00	44163.00	51202.00	50029.00
C6 H8 N3 O5 Esi+4.5599995	322636.00	204131.00	175215.00	158145.00	281437.00	268381.00	248598.00	124792.00	1.00	1.00	171137.00	324790.00	257406.00	149352.00	426338.00	154764.00	9544696.00	101210.00	157489.00	157623.00	393842.00	329712.00	217304.00	207536.00
C32 H65 N23	286105.00	284439.00	46734.00	48729.00	33571.00	33006.00	19938.00	19098.00	198567.00	198191.00	19863.00	18530.00	88087.00	86077.00	48896.00	51974.00	65222.00	60564.00	21882.00	25182.00	23203.00	22907.00	22227.00	24013.00
C12 H25 N4 O8 S Esi+2.6729996	122188.00	59147.00	138884.00	141361.00	87233.00	83622.00	94250.00	112413.00	176839.00	188553.00	64966.00	109808.00	168162.00	107131.00	225439.00	123664.00	45774.00	78387.00	84959.00	112724.00	61812.00	62612.00	492758.00	471463.00
4alpha-formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol	132481.00	130493.00	26070.00	26505.00	1.00	1.00	1.00	1.00	63137.00	65004.00	1.00	1.00	30892.00	31087.00	1.00	1.00	18584.00	18208.00	1.00	1.00	1.00	1.00	1.00	1.00
C47 H57 N8 O7	102491.00	106987.00	44609.00	45741.00	98650.00	98027.00	426498.00	424756.00	109081.00	112694.00	43890.00	41796.00	104253.00	99602.00	51828.00	53161.00	144025.00	152580.00	63956.00	63812.00	118423.00	116387.00	120952.00	117916.00
(E)-3-methylglutaconic acid Esi+2.5862312	347686.00	113319.00	328779.00	328172.00	413437.00	399122.00	457790.00	261643.00	1.00	1.00	329895.00	242384.00	368237.00	346815.00	461135.00	383151.00	2116840.00	451212.00	361033.00	394712.00	443384.00	444783.00	199565.00	193986.00
5-Hydroxyisourate	111769.00	96706.00	94461.00	92199.00	103414.00	111272.00	100729.00	72791.00	1.00	1.00	103891.00	130827.00	94771.00	72959.00	119381.00	76054.00	59221.00	102421.00	100508.00	97749.00	104585.00	101394.00	107581.00	112873.00
C13 H25 N O2 Esi+1.222	344267.00	393535.00	98954.00	106751.00	549864.00	533634.00	153125.00	168113.00	343136.00	346490.00	316967.00	326219.00	618655.00	659899.00	543332.00	570755.00	248096.00	280253.00	188538.00	222665.00	259398.00	255173.00	304052.00	344428.00
C45 H87 N O11	117365.00	113712.00	12290.00	12565.00	1.00	1.00	1.00	1.00	37235.00	38133.00	1.00	1.00	14117.00	14120.00	1.00	10580.00	11651.00	10456.00	1.00	1.00	1.00	1.00	1.00	1.00
Furfural Esi+2.7509997	126953.00	86669.00	1.00	169880.00	202720.00	45759.00	65372.00	44574.00	1.00	1.00	164175.00	56322.00	180703.00	38913.00	234643.00	44563.00	1156349.00	217411.00	195832.00	42605.00	221611.00	213619.00	149248.00	237118.00
C20 H39 N4	35638.00	35588.00	21484.00	24635.00	72323.00	66580.00	29065.00	30318.00	89961.00	89433.00	45360.00	46621.00	96653.00	94406.00	70568.00	65948.00	35740.00	38155.00	105093.00	108996.00	70181.00	67003.00	56503.00	54792.00
C9 H21 N3 O6 Esi+3.4450002	1.00	1.00	1.00	13861.00	27243.00	26871.00	1.00	1.00	1.00	1.00	27150.00	34189.00	28849.00	26509.00	28821.00	20452.00	130783.00	20982.00	28805.00	29153.00	27839.00	26677.00	39738.00	42953.00
TG(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/21:0)[iso6]	22150.00	20238.00	21472.00	21202.00	20832.00	20671.00	23553.00	21394.00	1.00	1.00	22358.00	22809.00	22510.00	21707.00	23274.00	19805.00	108121.00	22754.00	23044.00	21202.00	20920.00	22205.00	17154.00	16084.00
5-Methyl-6-hydroxyluteolinidin	126162.00	118163.00	98589.00	93341.00	90785.00	88871.00	95996.00	76107.00	1.00	1.00	81801.00	109740.00	96877.00	83938.00	132207.00	97505.00	1.00	73314.00	87231.00	93914.00	102753.00	95696.00	58624.00	60102.00
C14 H24 N7	80507.00	78203.00	65890.00	64485.00	78380.00	82819.00	95665.00	95004.00	107669.00	105690.00	115985.00	111155.00	65143.00	68040.00	84475.00	83663.00	38751.00	42260.00	41841.00	34594.00	86222.00	86881.00	65659.00	67703.00
C8 H11 N	72123.00	106553.00	238692.00	178978.00	161450.00	154191.00	100149.00	97861.00	1.00	1.00	149660.00	189425.00	196808.00	215098.00	214000.00	155477.00	323196.00	241698.00	158194.00	214147.00	94742.00	234101.00	1.00	58054.00
Bis (2-hydroxypropyl) amine	53574.00	89865.00	202221.00	1.00	60278.00	10419.00	70307.00	55983.00	44526.00	120098.00	332529.00	84344.00	115812.00	90190.00	81601.00	111786.00	99309.00	114717.00	35522.00	71333.00	59505.00	323134.00	93960.00	78338.00
Dicyclohexylamine	235667.00	211816.00	32299.00	162247.00	74741.00	131563.00	129566.00	63717.00	102300.00	288054.00	125775.00	130328.00	145013.00	127228.00	152944.00	247900.00	208371.00	150842.00	119348.00	134515.00	159429.00	239317.00	351936.00	113743.00
L-Isoleucine Esi+1.62	61725.00	62791.00	69717.00	58527.00	61171.00	63585.00	91444.00	94626.00	119781.00	119132.00	101365.00	105405.00	94833.00	99565.00	94946.00	93226.00	77979.00	66749.00	71835.00	67864.00	70306.00	74162.00	100988.00	102736.00
24-Nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-pentol	689496.00	754864.00	1165876.00	738738.00	134172.00	737421.00	1134213.00	1760658.00	1612771.00	1626730.00	1191773.00	1184658.00	1785163.00	1186206.00	750884.00	775621.00	1139618.00	1268356.00	1176170.00	1252249.00	1277528.00	691002.00	796269.00	1835580.00
Antirrhinoside	23821.00	23165.00	42009.00	39782.00	29001.00	33092.00	46890.00	42893.00	1.00	1.00	43013.00	46896.00	36967.00	34470.00	60952.00	52521.00	115894.00	41517.00	35801.00	38575.00	34674.00	38292.00	26331.00	30740.00
C6 N2 O6 S	53268.00	47555.00	52661.00	47643.00	49895.00	52403.00	53087.00	47806.00	1.00	1.00	47215.00	53517.00	50038.00	47245.00	53953.00	49060.00	125388.00	52052.00	53234.00	52933.00	52044.00	50957.00	42574.00	40144.00
Promethazine sulfoxide	83470.00	73182.00	73744.00	72929.00	75125.00	75895.00	78639.00	68893.00	1.00	1.00	74251.00	90247.00	77441.00	73894.00	77195.00	65263.00	1.00	72243.00	77406.00	76022.00	109730.00	109708.00	42907.00	47756.00
C37 H21 N7 O3	22010.00	22424.00	20195.00	21288.00	25828.00	136291.00	20954.00	22013.00	11189.00	12856.00	17413.00	20914.00	26230.00	23812.00	18805.00	29864.00	23850.00	18641.00	6956.00	25210.00	50404.00	30018.00	12622.00	45759.00
C25 H57 N4 O9 Esi+1.9610003	130509.00	69703.00	167149.00	111976.00	1.00	120699.00	58019.00	1.00	1.00	128747.00	83458.00	1.00	118920.00	113996.00	92286.00	93384.00	1.00	1.00	1.00	110373.00	125534.00	122085.00	60497.00	101072.00
Phenylalanine	105330.00	104607.00	88842.00	84855.00	76821.00	80739.00	59555.00	57527.00	40581.00	43392.00	71058.00	74017.00	89851.00	87461.00	92811.00	88207.00	116601.00	79814.00	89471.00	91168.00	71957.00	69108.00	79443.00	76380.00
Deoxycytidine Esi+4.0240016	4223251.00	4062540.00	3343158.00	3396792.00	4171188.00	4184499.00	2545137.00	2443740.00	164598.00	176965.00	2915151.00	3098466.00	3655723.00	3589180.00	2787074.00	2633593.00	8732942.00	3000179.00	3174687.00	3159177.00	3690957.00	3620762.00	2110618.00	2123284.00
C21 H47 N11 O14	70568.00	66485.00	42248.00	41656.00	51989.00	49869.00	57170.00	48956.00	1.00	1.00	33330.00	40872.00	44467.00	40473.00	95596.00	80942.00	17959.00	68609.00	72332.00	69203.00	65588.00	60495.00	42857.00	41907.00
Monocrotaline	120850.00	112812.00	85511.00	81799.00	86560.00	85050.00	115178.00	90986.00	1.00	1.00	90210.00	114939.00	76847.00	69876.00	94683.00	68895.00	1.00	72656.00	89624.00	92346.00	101341.00	96312.00	54415.00	55626.00
Allantoin	104810.00	108925.00	78753.00	84743.00	102282.00	103198.00	51858.00	50504.00	1.00	1.00	53088.00	50299.00	98734.00	100720.00	88088.00	87019.00	116652.00	64139.00	64026.00	60735.00	83618.00	84889.00	42957.00	44507.00
Cyclopentanone	88998.00	100543.00	115067.00	106197.00	95309.00	85581.00	101998.00	104141.00	68125.00	62734.00	136540.00	132534.00	82366.00	81536.00	107261.00	110936.00	64238.00	77539.00	73265.00	76605.00	103175.00	100544.00	101515.00	87325.00
C25 H25 N16 O S2	14350.00	28668.00	13256.00	31192.00	54067.00	109343.00	32573.00	39674.00	1.00	14668.00	20904.00	32197.00	26689.00	24531.00	28117.00	59394.00	34196.00	26678.00	23604.00	30011.00	19911.00	25056.00	18927.00	20003.00
C41 H65 N13 O	122702.00	124102.00	1.00	1.00	1.00	1.00	1.00	1.00	65489.00	58642.00	1.00	1.00	28785.00	27143.00	1.00	1.00	105068.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C33 H57 N18 O	261699.00	390693.00	315472.00	380983.00	495182.00	491360.00	504113.00	513151.00	287358.00	367828.00	531396.00	407837.00	259432.00	481025.00	517383.00	490070.00	458818.00	530935.00	513058.00	515326.00	547519.00	210297.00	505328.00	534141.00
C43 H71 N6 O6	112728.00	113720.00	1.00	1.00	13207.00	12152.00	1.00	1.00	82521.00	79514.00	1.00	1.00	16814.00	14941.00	12862.00	11127.00	12157.00	12682.00	1.00	1.00	1.00	1.00	1.00	1.00
C15 H28 N7 O4	42512.00	44818.00	69030.00	40679.00	75261.00	69568.00	57126.00	66771.00	96524.00	97622.00	34994.00	29163.00	63901.00	66006.00	57097.00	62015.00	65349.00	48256.00	36409.00	54540.00	40584.00	22580.00	37688.00	27957.00
C9 H8 N5 O4	63936.00	66696.00	40189.00	40386.00	75889.00	73344.00	33765.00	33301.00	1.00	1.00	40784.00	44970.00	50678.00	51866.00	26596.00	26438.00	111671.00	60783.00	74340.00	74940.00	54944.00	59703.00	26033.00	27850.00
C27 H53 N4 O7 Esi+2.9660008	395456.00	335928.00	343884.00	260544.00	231246.00	152140.00	171423.00	350414.00	278293.00	259982.00	382408.00	259675.00	150989.00	417949.00	245373.00	126924.00	50964.00	281091.00	257323.00	200101.00	282401.00	198837.00	481879.00	224187.00
3-Methylamino-1,2-propandiol	55739.00	48644.00	48727.00	53638.00	44167.00	52359.00	126094.00	119850.00	95016.00	100193.00	100248.00	104338.00	59837.00	56501.00	82168.00	76832.00	50093.00	33664.00	64308.00	63310.00	85822.00	91780.00	116020.00	112367.00
6-O-Methylguanine	43412.00	43098.00	33846.00	35774.00	38825.00	35863.00	30741.00	27908.00	1.00	1.00	29546.00	28905.00	39236.00	35328.00	37746.00	35739.00	113631.00	39066.00	39268.00	40198.00	31187.00	31163.00	33220.00	30004.00
Lorazepam glucuronide	137933.00	1.00	151076.00	56438.00	152056.00	149720.00	152363.00	55706.00	1.00	1.00	150715.00	155642.00	157452.00	149647.00	157422.00	150526.00	1.00	151650.00	155733.00	155183.00	58080.00	28628.00	120217.00	123038.00
C9 H20 N2	49408.00	49869.00	40470.00	42082.00	42189.00	42793.00	44451.00	38498.00	44490.00	43875.00	40014.00	43160.00	39049.00	39827.00	42419.00	40591.00	115738.00	40571.00	41466.00	39294.00	45770.00	42361.00	43346.00	41755.00
C6 H15 N O Esi+6.7200007	29370.00	18476.00	23658.00	1.00	14194.00	1.00	24507.00	16809.00	34028.00	217906.00	17499.00	11605.00	12376.00	1.00	7990.00	74685.00	24694.00	10573.00	5041.00	19399.00	38953.00	48501.00	16972.00	29625.00
C19 H38 N2 O3	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	16720.00	1.00	1.00	1.00	14796.00	11781.00	15737.00	15638.00	99394.00	27869.00	1.00	1.00	1.00	1.00	1.00	1.00
Angiotensin I	62346.00	60099.00	31137.00	30182.00	40259.00	36943.00	20462.00	22155.00	89159.00	94155.00	32815.00	32753.00	64581.00	67868.00	42858.00	43710.00	36889.00	65097.00	28555.00	27795.00	66009.00	62592.00	63458.00	66708.00
Tutin	82949.00	80380.00	51754.00	50639.00	84649.00	87492.00	72815.00	74538.00	99809.00	97064.00	52185.00	49481.00	73666.00	73696.00	56849.00	59398.00	85184.00	88882.00	57001.00	58729.00	77068.00	75034.00	64825.00	64349.00
C22 H51 N4 O6	28959.00	26836.00	21785.00	23569.00	37035.00	40907.00	26289.00	26227.00	35455.00	39731.00	23671.00	32703.00	31910.00	32215.00	103299.00	103551.00	62013.00	55121.00	27412.00	27602.00	28675.00	23500.00	41170.00	40069.00
DL-pipecolic acid	355299.00	207152.00	139902.00	128899.00	157465.00	160538.00	249888.00	88194.00	1.00	1.00	76530.00	184451.00	158309.00	84849.00	293230.00	86076.00	14100000.00	187943.00	138484.00	121568.00	131540.00	105989.00	183863.00	170245.00
Pantothenic Acid Esi+2.4080005 :1	1454130.00	1403867.00	1982881.00	1952192.00	2657330.00	2683662.00	1616484.00	1505693.00	34611.00	35603.00	1490418.00	1716826.00	1759598.00	1642863.00	2356604.00	2045412.00	6995786.00	3056972.00	1856907.00	1840833.00	3322736.00	3297660.00	1129694.00	1135255.00
C9 H19 N4 O4 S	1.00	1.00	27590.00	27626.00	31040.00	31792.00	17653.00	15802.00	1.00	1.00	1.00	12383.00	21213.00	21891.00	37820.00	36318.00	106746.00	37501.00	22116.00	24218.00	29528.00	27924.00	15016.00	13003.00
C15 H26 O2	73352.00	40333.00	55653.00	58912.00	93133.00	90368.00	69251.00	73393.00	63159.00	59308.00	89907.00	92893.00	74130.00	75212.00	80993.00	45137.00	40955.00	45563.00	23564.00	22679.00	72793.00	66963.00	82130.00	87908.00
C17 H31 N O8	1.00	1.00	81519.00	80942.00	37503.00	34117.00	1.00	1.00	29169.00	31244.00	1.00	1.00	40390.00	41324.00	1.00	1.00	38601.00	41767.00	10179.00	9869.00	1.00	1.00	13757.00	12847.00
C5 H11 N3	121551.00	139706.00	138465.00	163285.00	169509.00	164736.00	154618.00	150977.00	165350.00	155688.00	152801.00	137094.00	151496.00	136664.00	146971.00	155822.00	138389.00	153881.00	145572.00	152834.00	158992.00	194511.00	158726.00	173469.00
C33 H65 N4 O10 Esi+3.224999	343595.00	550688.00	227602.00	264966.00	426933.00	450892.00	291837.00	578671.00	495467.00	574140.00	540434.00	454454.00	420955.00	511998.00	557176.00	234684.00	338245.00	300085.00	677569.00	252612.00	335068.00	581365.00	545580.00	653168.00
C8 H15 N3 O	143405.00	306217.00	63386.00	61912.00	137812.00	142856.00	140419.00	127335.00	53745.00	329573.00	129512.00	71065.00	135561.00	44234.00	18563.00	146656.00	162252.00	143094.00	43419.00	137761.00	142977.00	75475.00	138855.00	141678.00
Acetone cyanohydrin	91887.00	101015.00	58835.00	67368.00	77087.00	80683.00	82010.00	77000.00	1.00	1.00	58279.00	68944.00	110086.00	106603.00	111424.00	107112.00	94269.00	70166.00	58164.00	56659.00	71748.00	70545.00	47784.00	52530.00
Methyl o-methoxyhippuric acid	34877.00	39272.00	43767.00	42621.00	34560.00	37004.00	31139.00	25771.00	44191.00	40186.00	27707.00	31748.00	47034.00	45956.00	49378.00	47799.00	1.00	24290.00	31641.00	29719.00	21573.00	20165.00	106185.00	103613.00
(R,S)-Nicotine	19382.00	14073.00	104265.00	99890.00	1.00	1.00	28414.00	30955.00	30814.00	27209.00	37894.00	42259.00	25781.00	25152.00	29616.00	29025.00	57422.00	51129.00	36480.00	40345.00	21406.00	20852.00	45219.00	41206.00
C12 H26 O5 Esi+1.2730001	308420.00	309181.00	212043.00	221304.00	281620.00	277064.00	481546.00	472721.00	127106.00	134372.00	492158.00	494892.00	171471.00	174706.00	380210.00	375631.00	79401.00	85830.00	129211.00	138959.00	370930.00	378469.00	28650.00	174899.00
C26 H35 N6 O6	36309.00	37474.00	30441.00	29611.00	36686.00	35363.00	51778.00	47603.00	40932.00	40088.00	26698.00	26673.00	33940.00	34413.00	27668.00	28087.00	31734.00	104537.00	56577.00	43719.00	44637.00	42084.00	37814.00	36985.00
Kurilensoside H	22266.00	20562.00	19830.00	21007.00	20353.00	20568.00	22057.00	20502.00	1.00	1.00	19951.00	21981.00	21510.00	21032.00	21820.00	19726.00	87646.00	22360.00	20278.00	19729.00	20789.00	19451.00	16726.00	15713.00
C11 H18 O4	22355.00	23898.00	78715.00	79433.00	46481.00	39999.00	56369.00	57023.00	52508.00	55260.00	35388.00	34596.00	94372.00	92508.00	31249.00	27233.00	96047.00	109039.00	54893.00	55860.00	23780.00	21952.00	43813.00	42983.00
Fasoracetam	55392.00	55820.00	28637.00	31665.00	53842.00	53513.00	95879.00	99321.00	13387.00	15306.00	101280.00	104044.00	21347.00	20724.00	68927.00	70386.00	1.00	1.00	19340.00	19634.00	67579.00	76640.00	17640.00	23377.00
C35 H68 N O S3	15301.00	10921.00	1.00	1.00	18408.00	8358.00	1.00	1.00	20932.00	19691.00	1.00	1.00	19173.00	35116.00	21784.00	15808.00	83155.00	93556.00	40563.00	32379.00	26533.00	15051.00	1.00	1.00
Ectoine	29207.00	26194.00	15665.00	15397.00	15659.00	16725.00	1.00	1.00	17578.00	17592.00	1.00	13462.00	12366.00	11456.00	35825.00	25957.00	103881.00	13137.00	21159.00	20359.00	16195.00	12593.00	13996.00	13746.00
Gentianadine Esi+2.4659998	50062.00	48393.00	38422.00	38171.00	30894.00	37105.00	1.00	1.00	1.00	1.00	52484.00	52128.00	67518.00	67001.00	46264.00	43261.00	92366.00	55223.00	35325.00	31031.00	55558.00	61548.00	47807.00	47288.00
PE(P-20:0/19:1(9Z))	117011.00	116607.00	19728.00	19897.00	1.00	1.00	1.00	1.00	49123.00	48958.00	1.00	1.00	30344.00	30091.00	16842.00	15416.00	18042.00	19860.00	1.00	1.00	1.00	1.00	1.00	1.00
C39 H83 N8 O11	94286.00	95129.00	1.00	1.00	1.00	1.00	1.00	1.00	44632.00	43052.00	1.00	1.00	16545.00	17609.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
Chrysoeriol	64258.00	47469.00	50212.00	46890.00	61835.00	60379.00	66757.00	54475.00	1.00	1.00	57523.00	79901.00	53754.00	52242.00	22209.00	38789.00	1.00	51490.00	58590.00	52909.00	34260.00	54161.00	108996.00	105915.00
Bis (2-hydroxypropyl) amine Esi+5.511001	84061.00	53156.00	51754.00	48261.00	29855.00	19416.00	41417.00	56751.00	160854.00	164069.00	53832.00	63901.00	71403.00	86386.00	72277.00	31125.00	22856.00	72863.00	19334.00	56423.00	19769.00	30919.00	50202.00	28917.00
C31 H61 N4 O9 Esi+1.5340003	546250.00	312640.00	565270.00	572577.00	640855.00	289210.00	179273.00	573573.00	141731.00	140394.00	289945.00	259014.00	292596.00	175679.00	174900.00	218373.00	166162.00	164850.00	245526.00	546251.00	580865.00	587029.00	589204.00	569840.00
C23 H41 N	1.00	1.00	1.00	1.00	54661.00	53826.00	1.00	1.00	31419.00	30306.00	1.00	1.00	98883.00	99770.00	16116.00	1.00	1.00	50286.00	1.00	1.00	1.00	1.00	1.00	1.00
Neosakuranin Esi+1.097	84182.00	82234.00	82922.00	85096.00	71625.00	64321.00	86089.00	85527.00	73038.00	72694.00	79723.00	76936.00	78535.00	78845.00	72563.00	73629.00	71062.00	71183.00	80068.00	78461.00	82730.00	78165.00	70728.00	68887.00
C27 H51 N O7 Esi+1.4890002	1.00	101624.00	107116.00	97282.00	107696.00	1.00	1.00	1.00	1.00	1.00	98794.00	76030.00	84656.00	1.00	1.00	67637.00	149171.00	141654.00	62119.00	103772.00	1.00	96264.00	78112.00	1.00
2(1H)-Quinolinone	49957.00	44722.00	57096.00	60299.00	76456.00	77258.00	51021.00	53365.00	1.00	1.00	55382.00	56716.00	77893.00	74740.00	100029.00	96611.00	48630.00	43841.00	94425.00	95102.00	52878.00	56531.00	60540.00	65777.00
Imidazol-5-yl-pyruvate	97353.00	102077.00	42967.00	43871.00	27591.00	28790.00	35816.00	37120.00	1.00	1.00	35589.00	38007.00	29177.00	27844.00	31323.00	31392.00	19106.00	20833.00	42730.00	42046.00	32191.00	30647.00	38827.00	39040.00
C16 H35 N O	40532.00	21465.00	1.00	29068.00	1.00	24598.00	18131.00	26519.00	27899.00	28336.00	1.00	1.00	98812.00	91664.00	1.00	27252.00	68812.00	70601.00	1.00	1.00	1.00	1.00	1.00	1.00
Enalkiren	22370.00	21438.00	60830.00	61397.00	74430.00	66152.00	17514.00	17999.00	14257.00	15397.00	77336.00	74568.00	28196.00	28728.00	17906.00	14444.00	28705.00	36599.00	62676.00	62597.00	53494.00	52501.00	14335.00	16189.00
4,12-dihydroxy-hexadecanoic acid	83387.00	85765.00	71806.00	73624.00	72677.00	71256.00	92340.00	85434.00	101196.00	104201.00	123613.00	118592.00	100476.00	96486.00	99001.00	106011.00	70041.00	70151.00	66709.00	70776.00	85667.00	81677.00	102249.00	96314.00
4alpha,14alpha-dimethyl-24-methylene-cholest-7,9(11)-dien-3beta-ol	84642.00	86314.00	88764.00	90544.00	129051.00	113716.00	82090.00	93432.00	25322.00	26224.00	34446.00	23515.00	23277.00	25809.00	64942.00	65511.00	20759.00	20782.00	29687.00	30039.00	52046.00	48265.00	55113.00	58879.00
2-Amino-2-methyl-1-propanol Esi+5.4539995	54041.00	51617.00	59347.00	274993.00	423198.00	43307.00	50506.00	57492.00	42294.00	203483.00	25502.00	56362.00	40907.00	50265.00	66022.00	29737.00	43340.00	48545.00	38329.00	44910.00	239653.00	50871.00	32159.00	49110.00
DG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]	70226.00	66185.00	95308.00	92036.00	63933.00	66981.00	77858.00	80464.00	50996.00	47799.00	69651.00	74049.00	76645.00	79833.00	95163.00	95753.00	65995.00	79000.00	86813.00	87339.00	74278.00	73513.00	77203.00	76994.00
3-hexenal Esi+1.2320001	94342.00	89142.00	87655.00	97816.00	108081.00	109183.00	76137.00	94579.00	77061.00	75960.00	154165.00	154502.00	93724.00	90307.00	121201.00	99128.00	76014.00	81365.00	79572.00	65988.00	107453.00	112631.00	106244.00	113793.00
6-nonenal	66810.00	71131.00	87199.00	87674.00	70379.00	70564.00	109568.00	101209.00	84527.00	76422.00	106497.00	114803.00	86701.00	82145.00	118561.00	86931.00	80481.00	77945.00	78863.00	84054.00	70631.00	65189.00	77905.00	87790.00
C25 H56 N14 O16	61619.00	56223.00	30597.00	29965.00	37910.00	38786.00	46992.00	36171.00	1.00	1.00	24345.00	33640.00	35772.00	30683.00	98328.00	73110.00	51528.00	53085.00	59733.00	58912.00	52413.00	51724.00	33533.00	32880.00
C3 H6 O	48016.00	44723.00	38717.00	40837.00	26868.00	41061.00	51863.00	58191.00	49932.00	51362.00	61019.00	58912.00	39574.00	41835.00	45581.00	49317.00	29696.00	34551.00	39664.00	36844.00	49399.00	46046.00	48616.00	49555.00
(25S)-5alpha-cholestan-3beta,6alpha,7beta,8beta,15alpha,16beta,26-heptol	1.00	102037.00	124057.00	99482.00	108709.00	1.00	1.00	1.00	100316.00	1.00	112701.00	71122.00	84656.00	77350.00	90076.00	66178.00	149974.00	141654.00	62119.00	113215.00	1.00	93314.00	78112.00	122262.00
C40 H81 N4 O6 S	104394.00	98944.00	20020.00	18733.00	13378.00	12590.00	1.00	1.00	51977.00	53622.00	1.00	1.00	21254.00	22798.00	17191.00	19516.00	31597.00	19677.00	11110.00	1.00	1.00	1.00	16349.00	16267.00
Piperidine	73652.00	77759.00	50799.00	49150.00	36668.00	37536.00	27950.00	32848.00	23148.00	21788.00	33813.00	35143.00	33335.00	34606.00	40924.00	64727.00	171078.00	52333.00	36984.00	36121.00	24322.00	34799.00	37035.00	19776.00
C9 H21 N	1.00	1.00	81581.00	83402.00	1.00	1.00	37402.00	54477.00	73839.00	74927.00	53854.00	70387.00	67682.00	59495.00	60414.00	52891.00	57373.00	74496.00	31712.00	69184.00	59149.00	39198.00	56222.00	42084.00
C19 H45 N14 S	162314.00	57992.00	68595.00	1.00	72494.00	43592.00	212989.00	86266.00	1.00	1.00	1.00	57541.00	38082.00	1.00	27809.00	38312.00	61146.00	1.00	1.00	63000.00	1.00	86162.00	67756.00	1.00
C27 H12 N9	13425.00	31359.00	13526.00	30350.00	50992.00	82735.00	35987.00	39756.00	1.00	13636.00	20046.00	34832.00	28056.00	26737.00	30783.00	58741.00	36355.00	25742.00	23992.00	33344.00	20899.00	25421.00	18637.00	15886.00
C29 H57 N4 O8 Esi+1.396	101430.00	104183.00	100339.00	95489.00	162684.00	150590.00	108716.00	107379.00	82665.00	84354.00	112418.00	114595.00	143365.00	134380.00	109998.00	112325.00	227548.00	93881.00	82713.00	115973.00	103799.00	126329.00	106970.00	100323.00
C23 H39 N5	13334.00	1.00	45899.00	39705.00	21310.00	24452.00	27745.00	22571.00	24991.00	23967.00	61051.00	55530.00	46205.00	41421.00	61539.00	45962.00	31971.00	31052.00	51499.00	47063.00	68266.00	59937.00	100711.00	98664.00
(E)-3-methylglutaconic acid Esi+3.611	19018.00	20458.00	18800.00	20740.00	23230.00	21428.00	15078.00	14938.00	1.00	1.00	32410.00	37435.00	32550.00	31651.00	30630.00	25664.00	100483.00	24435.00	27820.00	29431.00	29327.00	21986.00	35638.00	35730.00
54:3 SLBPA	16997.00	15731.00	17651.00	16724.00	15582.00	16788.00	18928.00	17279.00	1.00	1.00	15569.00	16930.00	16252.00	17500.00	19069.00	17079.00	81821.00	16952.00	15572.00	16110.00	17419.00	17434.00	13926.00	12383.00
C19 H50 N19 O3	1.00	1.00	1.00	1.00	12740.00	1.00	1.00	1.00	18561.00	16852.00	1.00	1.00	15655.00	16572.00	15277.00	16047.00	67365.00	79578.00	23691.00	25670.00	1.00	1.00	1.00	1.00
6-hydroxy caproic acid	47654.00	52697.00	27763.00	27999.00	47704.00	53225.00	84340.00	91803.00	13235.00	13610.00	93458.00	97715.00	18707.00	20461.00	62453.00	59641.00	33077.00	1.00	16458.00	16865.00	70492.00	72740.00	19630.00	21789.00
12-amino-dodecanoic acid	38488.00	42435.00	12411.00	16294.00	34837.00	30836.00	20450.00	19811.00	84427.00	86525.00	20877.00	21924.00	35527.00	37239.00	25463.00	27543.00	22123.00	22506.00	19911.00	20348.00	29836.00	27525.00	19113.00	20134.00
3R-hydroxy-tetradecanoic acid	44440.00	42797.00	1.00	1.00	70576.00	71202.00	44219.00	40954.00	45385.00	30436.00	111885.00	108311.00	63794.00	63296.00	78298.00	77477.00	26388.00	30391.00	1.00	19716.00	52605.00	49481.00	62761.00	70852.00
C23 H45 N4 O5	396548.00	50531.00	335193.00	325107.00	271506.00	335529.00	354871.00	181361.00	117131.00	149296.00	115295.00	187163.00	306135.00	200875.00	284777.00	234909.00	1.00	269132.00	249051.00	33932.00	174720.00	197998.00	423878.00	298673.00
C31 H69 N4 O11	246906.00	291719.00	52808.00	292274.00	49499.00	54589.00	58244.00	53946.00	64787.00	304287.00	288789.00	275241.00	300996.00	50606.00	57890.00	52309.00	288366.00	297039.00	279876.00	57913.00	287678.00	56134.00	294552.00	59695.00
C18 H46 N20 O	239735.00	223955.00	280803.00	163540.00	110665.00	211583.00	285490.00	229598.00	124271.00	125768.00	328559.00	245547.00	244509.00	162522.00	194322.00	155347.00	1.00	234177.00	122910.00	193767.00	92469.00	211545.00	121152.00	198478.00
Galegine	319769.00	299009.00	29565.00	472141.00	471930.00	427751.00	449790.00	1.00	446551.00	599836.00	486847.00	1.00	696400.00	464931.00	479357.00	443757.00	476691.00	486276.00	1.00	254899.00	1.00	466257.00	489419.00	1.00
Supinine	55418.00	57810.00	36665.00	35519.00	43484.00	43560.00	68143.00	69494.00	17608.00	17929.00	63524.00	66850.00	24394.00	23979.00	89730.00	87222.00	1.00	1.00	1.00	12918.00	44940.00	42724.00	18278.00	18066.00
C28 H47 N5 O3	344075.00	105870.00	80136.00	201044.00	272793.00	165450.00	109248.00	286772.00	74299.00	117330.00	288699.00	276637.00	281258.00	101863.00	382628.00	77184.00	1.00	334939.00	97830.00	152569.00	293617.00	270985.00	119131.00	171608.00
C17 Sphinganine Esi+4.059999	101149.00	101404.00	108446.00	111052.00	112142.00	109091.00	178403.00	173608.00	179837.00	179574.00	152282.00	150141.00	598718.00	602195.00	150389.00	158206.00	110502.00	113597.00	81148.00	76328.00	118326.00	116893.00	102333.00	107556.00
2-(1-Aziridinyl)ethanol	90056.00	75726.00	291601.00	80203.00	131383.00	94229.00	147747.00	87306.00	115357.00	175470.00	72592.00	83696.00	89517.00	86319.00	408038.00	137740.00	184147.00	133348.00	312242.00	53353.00	73576.00	93745.00	124880.00	89194.00
C27 H57 N11 O5 Esi+1.5230002	1.00	162477.00	166283.00	74339.00	1.00	152004.00	1.00	167240.00	1.00	1.00	112602.00	162139.00	115552.00	1.00	1.00	75681.00	166999.00	157015.00	1.00	160407.00	127015.00	175274.00	172213.00	127244.00
C26 H58 N4 O9	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	16064.00	16156.00	1.00	1.00	14914.00	13981.00	13098.00	13655.00	66954.00	77880.00	26527.00	21881.00	1.00	1.00	1.00	1.00
(2R)-2-Hydroxy-2-methylbutanenitrile Esi+1.528	55863.00	89821.00	103039.00	96634.00	86734.00	84405.00	82082.00	67462.00	52396.00	45050.00	80780.00	105343.00	151736.00	62526.00	162781.00	69799.00	128373.00	85573.00	52703.00	59988.00	104800.00	108844.00	126483.00	78923.00
C9 H8 N2 O4	33548.00	33382.00	32598.00	35088.00	36457.00	37687.00	29833.00	33016.00	1.00	1.00	31019.00	35291.00	36988.00	36775.00	33895.00	33954.00	93825.00	33909.00	34054.00	34527.00	36611.00	39698.00	22288.00	21908.00
Biperiden	78869.00	77386.00	39752.00	35359.00	19081.00	18981.00	34083.00	32504.00	1.00	1.00	36292.00	35767.00	20361.00	23106.00	23633.00	22871.00	1.00	1.00	31867.00	30167.00	20986.00	20325.00	18979.00	21899.00
C40 H25 N O6 Esi+7.451003	1305543.00	1282914.00	42206.00	1.00	149303.00	143570.00	81051.00	79410.00	58703.00	55190.00	63964.00	63250.00	382395.00	392246.00	287878.00	299222.00	244170.00	253433.00	41284.00	38654.00	94738.00	99456.00	170099.00	170115.00
4-Hydroxycinnamic acid	26400.00	25293.00	20487.00	21727.00	20272.00	19592.00	18501.00	17378.00	1.00	1.00	20095.00	18655.00	25409.00	22819.00	23098.00	21832.00	87352.00	23970.00	21010.00	23540.00	17541.00	15152.00	19357.00	20763.00
3'-Hydroxyminoxidil	42567.00	46369.00	23663.00	23651.00	29142.00	27900.00	37536.00	34200.00	1.00	1.00	35988.00	45735.00	20882.00	21276.00	16734.00	16745.00	1.00	27797.00	28820.00	30260.00	28499.00	27781.00	77325.00	91556.00
MG(16:0/0:0/0:0)[rac]	81795.00	88205.00	79194.00	80429.00	92955.00	95847.00	79061.00	83774.00	74056.00	72513.00	97622.00	104169.00	103127.00	94216.00	87517.00	102926.00	77428.00	89032.00	78328.00	73753.00	95933.00	91687.00	93568.00	102930.00
C11 H6 N O5 S	308436.00	128122.00	355430.00	207898.00	392651.00	378486.00	387751.00	325925.00	189472.00	198180.00	339967.00	381417.00	350592.00	227593.00	408500.00	105332.00	238793.00	294142.00	352001.00	188881.00	324090.00	339427.00	212655.00	224447.00
N-stearoyl glutamic acid	355240.00	356215.00	274102.00	47198.00	305237.00	341683.00	35604.00	463396.00	178528.00	227202.00	334963.00	301426.00	45329.00	278238.00	283582.00	230741.00	1.00	277326.00	362849.00	228713.00	51279.00	371427.00	394435.00	396942.00
C10 H22 O5	125435.00	126069.00	69363.00	63745.00	106444.00	116698.00	196449.00	193055.00	1.00	31850.00	229745.00	232489.00	45193.00	42313.00	148052.00	158286.00	1.00	1.00	41688.00	44394.00	159562.00	158000.00	53949.00	1.00
Uridine Esi+4.592001	308955.00	303690.00	124193.00	151801.00	103457.00	100245.00	86453.00	75437.00	1.00	1.00	158234.00	231868.00	217270.00	151168.00	196650.00	98608.00	691377.00	60715.00	117157.00	108495.00	137083.00	130801.00	209382.00	213331.00
C21 H45 N4 O3	1.00	1.00	1.00	10684.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	17325.00	18615.00	1.00	1.00	25550.00	20459.00	1.00	1.00	1.00	1.00	69351.00	72284.00
N-methylundec-10-enamide	84984.00	73674.00	70479.00	67318.00	78850.00	58138.00	68345.00	77189.00	87673.00	87225.00	77174.00	74574.00	83815.00	85768.00	74764.00	75153.00	62928.00	70178.00	61294.00	58026.00	66028.00	61717.00	72982.00	72606.00
C6 H7 N3	24742.00	22186.00	20600.00	19984.00	44991.00	45171.00	25460.00	26319.00	1.00	1.00	18599.00	21105.00	27647.00	24748.00	41715.00	37530.00	86556.00	35587.00	18251.00	20144.00	17822.00	21441.00	1.00	1.00
PC(18:1(11Z)/20:3(5Z,8Z,11Z)) Esi+5.1449995	3920205.00	3893586.00	221078.00	222424.00	161562.00	156743.00	96762.00	97719.00	2631540.00	2623932.00	95798.00	91702.00	1093917.00	1082002.00	270845.00	275233.00	470252.00	436649.00	102522.00	107140.00	104175.00	104477.00	186554.00	183279.00
2-Dehydro-3-deoxy-L-rhamnonate Esi+2.7559998	944912.00	781667.00	314414.00	147660.00	443128.00	454412.00	589830.00	466188.00	35279.00	66325.00	354896.00	499087.00	435956.00	394022.00	579612.00	400779.00	10500000.00	537015.00	410872.00	440266.00	516508.00	504820.00	1439957.00	1399191.00
Galegine Esi+5.4779987	57415.00	1.00	71571.00	77841.00	62975.00	56304.00	72701.00	74196.00	34718.00	13571.00	67969.00	83972.00	52448.00	76900.00	83375.00	76374.00	99438.00	52933.00	84675.00	75301.00	73971.00	79861.00	87289.00	87001.00
C23 H45 N4 O5 Esi+1.2129999	214978.00	222581.00	1028601.00	934756.00	171359.00	150891.00	882661.00	1096774.00	1448277.00	1439467.00	903457.00	933853.00	569045.00	77130.00	937652.00	241241.00	1058441.00	920460.00	953847.00	243591.00	910718.00	240395.00	1065134.00	257826.00
C22 H50 N23	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	15356.00	16588.00	1.00	1.00	15861.00	16267.00	15498.00	15521.00	61389.00	68496.00	24603.00	21322.00	1.00	1.00	1.00	1.00
C8 H21 N8 O S	20118.00	20254.00	60232.00	57412.00	29353.00	28416.00	19122.00	18711.00	43628.00	46077.00	29712.00	35244.00	64636.00	68051.00	22700.00	24028.00	69193.00	79183.00	33775.00	36176.00	13336.00	16851.00	33967.00	33880.00
8Z-undecenoic acid	517412.00	450431.00	759950.00	56962.00	99595.00	73382.00	65026.00	52362.00	32721.00	36102.00	97520.00	812612.00	41269.00	628996.00	724292.00	754610.00	71082.00	61185.00	623252.00	668989.00	81926.00	90427.00	546891.00	72272.00
C27 H59 N28	90119.00	87188.00	17404.00	18567.00	11277.00	10722.00	1.00	1.00	49498.00	49370.00	1.00	1.00	12702.00	12646.00	14595.00	13969.00	14690.00	14593.00	1.00	1.00	1.00	1.00	1.00	1.00
2-oxo-dodecanoic acid	93935.00	87242.00	67402.00	68288.00	120625.00	93575.00	74931.00	81588.00	79848.00	76921.00	142443.00	141754.00	77537.00	78210.00	122992.00	125913.00	65621.00	78968.00	70097.00	65790.00	104563.00	96709.00	102010.00	92168.00
C46 H65 N3 O3	21805.00	20205.00	35853.00	34581.00	36481.00	31497.00	51595.00	54508.00	29813.00	28501.00	60163.00	62372.00	44953.00	50732.00	78820.00	78332.00	68390.00	73995.00	36270.00	35547.00	27367.00	26277.00	34767.00	35753.00
C20 N2 O23 S	17517.00	18277.00	19030.00	18087.00	16681.00	18331.00	17794.00	18328.00	1.00	1.00	18977.00	21322.00	19502.00	17820.00	21082.00	18035.00	79463.00	16584.00	18124.00	18207.00	20058.00	19811.00	13642.00	12852.00
C41 H67 N10 O2	88810.00	90336.00	37802.00	38371.00	22630.00	23130.00	17187.00	21218.00	51685.00	40115.00	19163.00	16473.00	41550.00	47345.00	39410.00	33757.00	72905.00	45111.00	15823.00	18293.00	18856.00	19705.00	1.00	20047.00
N-Acetylimidazole	56903.00	55863.00	70799.00	72964.00	63672.00	66656.00	64835.00	66709.00	1.00	1.00	63522.00	64404.00	60717.00	59974.00	80782.00	80619.00	84407.00	82897.00	63464.00	62094.00	79277.00	74097.00	45107.00	46714.00
C29 H42 N17 O8	57222.00	56169.00	48171.00	42995.00	49127.00	40662.00	38726.00	36881.00	76277.00	78481.00	48898.00	46440.00	67150.00	72237.00	51988.00	52822.00	66611.00	70751.00	51581.00	50088.00	81335.00	79236.00	65884.00	67196.00
C8 H13 N O7 S	54581.00	58397.00	44257.00	48221.00	57375.00	59385.00	54215.00	51037.00	1.00	1.00	45011.00	46797.00	53651.00	49498.00	52675.00	54249.00	76971.00	53438.00	54403.00	55744.00	62007.00	59130.00	36408.00	36762.00
C37 H52 N10 O	52478.00	53058.00	68002.00	66569.00	80349.00	76782.00	65502.00	67440.00	52004.00	52886.00	46381.00	48446.00	46617.00	45743.00	45273.00	46153.00	50177.00	56890.00	29164.00	30746.00	49398.00	47508.00	48493.00	47738.00
Ala Ser His	74361.00	69552.00	23762.00	27865.00	40022.00	39485.00	63603.00	50764.00	1.00	1.00	45244.00	48419.00	22755.00	23731.00	65517.00	51411.00	1.00	78751.00	56363.00	51561.00	64902.00	65120.00	26134.00	23176.00
3-Acetamidopropanal	45829.00	46409.00	56863.00	61520.00	52834.00	50911.00	28460.00	23655.00	1.00	1.00	48514.00	50872.00	40562.00	42182.00	79864.00	82024.00	71824.00	52686.00	53514.00	55444.00	77781.00	78320.00	31722.00	32475.00
Prosopinine	50284.00	41098.00	36700.00	1.00	113726.00	117706.00	44256.00	45783.00	16623.00	37006.00	55318.00	25327.00	41177.00	38475.00	54820.00	76340.00	35418.00	36433.00	27979.00	1.00	64994.00	51728.00	40517.00	28805.00
C12 H26 N7 O	120261.00	55161.00	124427.00	101119.00	149757.00	120320.00	116837.00	99470.00	173608.00	128629.00	161253.00	35085.00	20590.00	137347.00	121202.00	172073.00	1.00	149719.00	156639.00	113043.00	133248.00	141231.00	134900.00	98272.00
C18 H25 N2	52495.00	54771.00	1.00	1.00	1.00	66704.00	1.00	1.00	68198.00	70968.00	1.00	1.00	66749.00	62347.00	64826.00	49225.00	68164.00	84467.00	1.00	45214.00	52722.00	49563.00	63355.00	65824.00
4Z-tetradecenoic acid	71530.00	48403.00	41772.00	61167.00	109865.00	87514.00	75157.00	77759.00	80623.00	82858.00	157989.00	97488.00	75299.00	75732.00	107559.00	129757.00	54586.00	65827.00	51117.00	61109.00	80175.00	78777.00	73165.00	81416.00
C8 H18 N4 O2 Esi+8.752	57902.00	37305.00	30618.00	29893.00	29596.00	32466.00	38498.00	1.00	1.00	1.00	1.00	43232.00	32751.00	1.00	59408.00	1.00	2720847.00	31907.00	26401.00	1.00	1.00	1.00	35170.00	37219.00
C31 H69 N4 O11 Esi+1.5219997	40669.00	26353.00	1.00	30619.00	67982.00	24752.00	1.00	58551.00	1.00	1.00	64085.00	48083.00	408171.00	61601.00	29775.00	29445.00	67286.00	56003.00	58489.00	62811.00	52642.00	1.00	61437.00	55697.00
C20 H22 N8 O16	12200.00	12649.00	1.00	1.00	15968.00	17314.00	10860.00	10142.00	1.00	1.00	9749.00	9408.00	11464.00	12082.00	1.00	1.00	64060.00	48478.00	26738.00	29402.00	11949.00	12856.00	1.00	9899.00
C19 H41 N5 O13 S	34814.00	33246.00	44173.00	40961.00	42884.00	43042.00	41385.00	42781.00	63593.00	68034.00	46263.00	48150.00	43253.00	42144.00	41351.00	39243.00	22639.00	44381.00	40088.00	39699.00	45695.00	45666.00	65539.00	66038.00
C6 H13 N5 O	73470.00	72172.00	65640.00	65915.00	84782.00	78942.00	63622.00	69366.00	16903.00	18801.00	69941.00	72642.00	71545.00	71204.00	81906.00	81716.00	41888.00	81662.00	87140.00	77685.00	70843.00	76953.00	59757.00	62112.00
C12 H23 N5	38783.00	41212.00	35445.00	36628.00	26759.00	26087.00	44018.00	46096.00	58082.00	62594.00	40302.00	42600.00	36305.00	36868.00	31168.00	34881.00	25802.00	24089.00	33669.00	35406.00	34747.00	31303.00	41357.00	38868.00
C21 H39 N O4	1.00	1.00	696879.00	695234.00	565152.00	721558.00	1.00	1.00	1.00	812947.00	704771.00	677156.00	755594.00	733032.00	715965.00	702010.00	695081.00	720562.00	1.00	1.00	718233.00	716296.00	730981.00	718766.00
C29 H60 N11 O6	1.00	1.00	1.00	1.00	9644.00	10701.00	1.00	1.00	18952.00	18589.00	1.00	1.00	15577.00	16960.00	16130.00	18298.00	70172.00	81373.00	25352.00	25857.00	1.00	1.00	1.00	1.00
4'-Hydroxytrimethoprim Esi+2.9469995	109334.00	302120.00	78576.00	289174.00	56894.00	42295.00	244391.00	281021.00	1.00	1.00	120559.00	256451.00	285594.00	196230.00	297007.00	277680.00	1.00	80951.00	108870.00	257388.00	281798.00	240240.00	260362.00	254218.00
C22 H45 N4	21795.00	21507.00	15531.00	22506.00	24559.00	28077.00	21142.00	14167.00	35599.00	34443.00	32885.00	33253.00	41919.00	35875.00	36795.00	34570.00	18218.00	16933.00	19704.00	22272.00	36111.00	27761.00	28176.00	27439.00
C9 H21 N O3 Esi+4.737	57897.00	50601.00	45485.00	45688.00	55060.00	63159.00	48198.00	53432.00	43785.00	50566.00	68742.00	76827.00	50556.00	45853.00	39739.00	42666.00	85054.00	63589.00	38198.00	49414.00	51690.00	55578.00	40684.00	49548.00
Butyryl-L-carnitine	55004.00	50861.00	27447.00	25382.00	23616.00	23056.00	22015.00	19994.00	22846.00	24365.00	22958.00	23481.00	28550.00	26989.00	67885.00	67641.00	74369.00	35153.00	39988.00	38180.00	27551.00	26906.00	24184.00	23642.00
C25 H36 N17 O5 Esi+1.8330001 :1	29894.00	1.00	287678.00	302039.00	328435.00	322444.00	350381.00	379551.00	1.00	31622.00	390188.00	396167.00	151625.00	124640.00	133158.00	127911.00	1.00	120898.00	331562.00	335386.00	352360.00	350487.00	58699.00	56448.00
C17 H32 N7 O2	39793.00	24909.00	79057.00	79126.00	60581.00	155689.00	62329.00	127672.00	70317.00	135384.00	108986.00	90763.00	77989.00	23384.00	161680.00	147054.00	1.00	119006.00	49754.00	64874.00	79269.00	47043.00	156628.00	142592.00
C9 H20 O4 Esi+1.3120002	223654.00	229775.00	197432.00	202537.00	172499.00	172343.00	221717.00	236242.00	354026.00	345774.00	238929.00	245177.00	205543.00	201839.00	192968.00	197516.00	164829.00	171628.00	215593.00	218641.00	203036.00	206158.00	233652.00	252554.00
C43 H65 N13 O	60986.00	691908.00	14529.00	11816.00	1.00	1.00	1.00	1.00	39177.00	39881.00	1.00	1.00	20549.00	19320.00	8758.00	9884.00	363991.00	10419.00	1.00	1.00	1.00	1.00	1.00	1.00
C30 H63 N11 O5	78676.00	77581.00	51184.00	46536.00	99172.00	101340.00	73642.00	69307.00	107091.00	104689.00	54210.00	54321.00	102935.00	95563.00	72728.00	69965.00	18398.00	104726.00	65022.00	68294.00	75711.00	73927.00	64765.00	65755.00
Benzoylagmatine	60206.00	58133.00	63421.00	61514.00	40757.00	45807.00	45211.00	46951.00	91473.00	97037.00	62985.00	119081.00	76749.00	73544.00	87101.00	82203.00	67992.00	70973.00	73685.00	66731.00	45686.00	44241.00	81786.00	89451.00
Istamycin C1	25131.00	37941.00	51128.00	64387.00	49590.00	42041.00	31375.00	38022.00	68463.00	63959.00	59786.00	60107.00	41154.00	40394.00	32876.00	44023.00	39955.00	47127.00	44147.00	41213.00	29053.00	16436.00	18487.00	90293.00
Acetylcarnitine Esi+2.264	16188.00	13863.00	17988.00	19085.00	15481.00	15489.00	1.00	1.00	1.00	1.00	16739.00	18241.00	12329.00	12045.00	17725.00	15498.00	81243.00	22850.00	20575.00	23089.00	35126.00	35164.00	13304.00	13352.00
C10 H11 N4 O4 S	1.00	12734.00	13526.00	12180.00	12871.00	12549.00	12364.00	11985.00	1.00	1.00	12138.00	13522.00	13808.00	11126.00	13416.00	13599.00	77976.00	12698.00	12651.00	11672.00	14139.00	14127.00	12464.00	12332.00
C39 H68 N3 O3	75416.00	74289.00	1.00	1.00	1.00	1.00	1.00	1.00	53774.00	58009.00	1.00	1.00	21696.00	23863.00	9797.00	1.00	12319.00	13577.00	1.00	1.00	1.00	1.00	1.00	1.00
(24S)-1?,24-dihydroxy-22-oxa-20-epivitamin D3 / (24S)-1?,24-dihydroxy-22-oxa-20-epicholecalciferol	37454.00	18919.00	298844.00	284393.00	319827.00	297227.00	284559.00	273552.00	172160.00	1.00	39877.00	258849.00	97365.00	42008.00	210781.00	235049.00	1.00	184686.00	161735.00	43513.00	130489.00	204684.00	290130.00	258504.00
C11 H21 N O2	29559.00	26861.00	31264.00	28386.00	61911.00	41921.00	47493.00	42318.00	53552.00	36002.00	73082.00	62380.00	83603.00	81739.00	68040.00	52139.00	21875.00	68548.00	27671.00	27243.00	34907.00	39985.00	27081.00	21297.00
C10 H22 O3	33554.00	34282.00	33124.00	31580.00	27007.00	25577.00	32171.00	30609.00	58588.00	57657.00	47661.00	50215.00	31275.00	33096.00	42359.00	40774.00	35098.00	34345.00	38018.00	43074.00	30108.00	31105.00	43615.00	38442.00
Diisobutyl phthalate	56896.00	54958.00	65041.00	65901.00	49805.00	51053.00	67659.00	71803.00	48673.00	47650.00	69909.00	72108.00	58763.00	60406.00	52242.00	52285.00	54227.00	52893.00	67415.00	64784.00	49872.00	45525.00	54265.00	55907.00
2-(1-Aziridinyl)ethanol Esi+5.3229985	21968.00	66328.00	58496.00	421280.00	396790.00	52228.00	158421.00	61235.00	58170.00	177019.00	142748.00	60841.00	53155.00	53179.00	334751.00	138633.00	450820.00	130093.00	162517.00	169816.00	271050.00	56710.00	125509.00	181645.00
C12 H24 O4	54571.00	51454.00	82670.00	81303.00	59426.00	61830.00	56272.00	59886.00	69031.00	70693.00	75862.00	75783.00	83871.00	81408.00	56402.00	67623.00	78844.00	82530.00	60676.00	61211.00	52690.00	52303.00	70672.00	67386.00
1-Hydroxyhexane-1,2,6-tricarboxylate	34494.00	34188.00	39170.00	41422.00	34525.00	30603.00	37396.00	34623.00	1.00	1.00	34675.00	34424.00	38789.00	36096.00	47935.00	42705.00	73056.00	30128.00	33752.00	32103.00	31646.00	33125.00	33784.00	35730.00
C13 H17 O17	44153.00	252204.00	288980.00	288276.00	51187.00	298297.00	287861.00	283017.00	1.00	1.00	287430.00	70249.00	306801.00	294340.00	298343.00	103540.00	1.00	290121.00	294871.00	289210.00	296676.00	96818.00	1.00	241669.00
Eudesobovatol A	71353.00	70916.00	69809.00	70607.00	74457.00	60620.00	72242.00	70731.00	33589.00	30918.00	67896.00	53372.00	78211.00	73811.00	70181.00	80782.00	76403.00	71348.00	68690.00	71581.00	76081.00	80176.00	69308.00	56586.00
C16 H42 N6 O6	101534.00	100245.00	103538.00	1.00	130054.00	111784.00	126999.00	102053.00	81816.00	103937.00	120558.00	1.00	93073.00	1.00	104600.00	1.00	101415.00	1.00	98374.00	105967.00	103164.00	105763.00	1.00	108292.00
C33 H65 N4 O10 Esi+1.9300001	1.00	17867.00	41259.00	1.00	39046.00	37924.00	66002.00	21013.00	51266.00	1.00	19219.00	30981.00	65487.00	31032.00	52813.00	22197.00	31805.00	24569.00	1.00	1.00	57921.00	60937.00	63733.00	80162.00
C22 H35 N5	416144.00	430494.00	416485.00	72860.00	381720.00	510704.00	438974.00	352823.00	1.00	1.00	519585.00	1.00	75185.00	398233.00	374806.00	1.00	1.00	460257.00	462501.00	424998.00	161639.00	40946.00	664774.00	604831.00
6-Oxocineole	91612.00	96624.00	110525.00	105364.00	92606.00	82032.00	81550.00	104360.00	66066.00	64047.00	134910.00	140855.00	85723.00	84019.00	120207.00	123765.00	70158.00	80037.00	73001.00	75183.00	102668.00	108784.00	97109.00	96289.00
Nitrothal-isopropyl Esi+2.558999	1385995.00	1251873.00	1836778.00	1846886.00	1288876.00	1298297.00	1052057.00	1072983.00	1.00	1.00	755255.00	848927.00	2165158.00	2118935.00	2612944.00	2497927.00	81032.00	936900.00	1065879.00	1051822.00	846817.00	848192.00	1188931.00	1237163.00
C13 H23 N O2	29019.00	30312.00	39319.00	36661.00	41018.00	39224.00	24519.00	39121.00	72863.00	48271.00	32068.00	29798.00	43095.00	44318.00	52494.00	52057.00	48284.00	29907.00	55244.00	49553.00	44612.00	59807.00	43060.00	42617.00
Strictosidine aglycone	47097.00	46412.00	40276.00	41516.00	53854.00	54393.00	45262.00	43968.00	60672.00	63107.00	42808.00	46602.00	62048.00	57627.00	40320.00	44170.00	54175.00	61147.00	43440.00	45537.00	54904.00	56945.00	36820.00	37930.00
C10 H27 N4 O4 S	18033.00	18829.00	1.00	1.00	65472.00	69151.00	44328.00	46392.00	19586.00	21777.00	52200.00	50025.00	37579.00	40161.00	33025.00	35941.00	1.00	1.00	1.00	1.00	14341.00	1.00	19484.00	19027.00
C12 H17 N5 O5	13236.00	14169.00	12889.00	12472.00	15870.00	17646.00	12365.00	13160.00	1.00	1.00	1.00	12140.00	12546.00	11749.00	15483.00	12900.00	68096.00	1.00	16006.00	15843.00	13286.00	13505.00	1.00	1.00
C21 H46 N4 S2	22878.00	21087.00	24639.00	37652.00	100870.00	85369.00	40247.00	35813.00	28502.00	21415.00	42867.00	47076.00	111354.00	112259.00	27614.00	27146.00	21597.00	23271.00	21121.00	24593.00	21493.00	17608.00	40356.00	41987.00
C13 H25 N O2 Esi+1.1310004 :1	25618.00	23839.00	50409.00	52224.00	66873.00	62419.00	39525.00	38176.00	65146.00	71571.00	69998.00	67434.00	114990.00	107549.00	94261.00	91051.00	78615.00	74721.00	79756.00	76518.00	153837.00	140283.00	187525.00	154381.00
C21 H37 N	1.00	1.00	1.00	1.00	38786.00	41235.00	1.00	1.00	21905.00	23438.00	31583.00	1.00	65410.00	63643.00	1.00	1.00	1.00	32343.00	1.00	1.00	1.00	1.00	1.00	1.00
C15 H28 N2 O13 S	27780.00	28880.00	34902.00	33588.00	35234.00	34608.00	37728.00	32483.00	20746.00	18841.00	36306.00	37397.00	33143.00	32988.00	36145.00	33294.00	71591.00	34418.00	32652.00	31194.00	35616.00	32332.00	34342.00	36274.00
C17 H46 N19 O2	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	15036.00	15940.00	1.00	1.00	15071.00	12925.00	12345.00	11877.00	57611.00	61914.00	20266.00	21427.00	1.00	1.00	1.00	1.00
C20 H43 N4 O2 Esi+1.2339997	76382.00	159944.00	1.00	1.00	14668.00	10348.00	1.00	18521.00	12143.00	11446.00	1.00	10408.00	22940.00	16257.00	12358.00	47622.00	9912.00	9549.00	35957.00	164346.00	176094.00	1.00	1.00	10566.00
C54 H59 N11 O4	11672.00	11888.00	1.00	1.00	11949.00	10014.00	23637.00	61529.00	13508.00	1.00	11251.00	15882.00	56938.00	65747.00	35748.00	18333.00	10678.00	1.00	39946.00	29664.00	19982.00	1.00	28138.00	12570.00
N-Nitrosodiethylamine	174397.00	154293.00	181908.00	127371.00	111610.00	153502.00	115608.00	97555.00	113758.00	51057.00	50969.00	150874.00	120247.00	160345.00	124042.00	60471.00	77822.00	141565.00	159524.00	190528.00	120454.00	48308.00	190898.00	162493.00
C24 H40 N3 O3	15959.00	1.00	1.00	24224.00	1.00	1.00	24481.00	1.00	294879.00	1.00	1.00	1.00	26657.00	25643.00	1.00	30184.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C16 H23 N2	83038.00	37330.00	39624.00	39479.00	37434.00	34736.00	39455.00	38505.00	30212.00	34264.00	29189.00	24640.00	37833.00	100786.00	47696.00	44829.00	77327.00	24997.00	39532.00	40447.00	35794.00	35088.00	102395.00	39682.00
C22 H19 N16 O S	1.00	19032.00	1.00	19500.00	32635.00	58027.00	21579.00	23817.00	1.00	1.00	12301.00	19489.00	15376.00	14835.00	16656.00	35030.00	20267.00	15633.00	13188.00	17783.00	12889.00	16166.00	11284.00	11809.00
Chamuvaritin	55752.00	54531.00	44072.00	41738.00	65131.00	61667.00	57891.00	58243.00	67391.00	65647.00	43368.00	43276.00	55904.00	53752.00	46552.00	45610.00	54053.00	75655.00	48006.00	47724.00	60712.00	58652.00	50494.00	50871.00
C16 H26 N12 O5 S	50000.00	46914.00	43486.00	42195.00	39324.00	42340.00	25562.00	23638.00	1.00	1.00	28270.00	30508.00	51076.00	49220.00	41582.00	40649.00	66753.00	25128.00	28919.00	30286.00	26890.00	28163.00	22105.00	22649.00
C27 H53 N4 O7 Esi+1.5130004 :1	116480.00	127154.00	70552.00	98632.00	90703.00	87857.00	61776.00	68567.00	1.00	1.00	133486.00	125950.00	129350.00	139741.00	81946.00	82362.00	136517.00	68399.00	123995.00	70203.00	128616.00	60530.00	125435.00	1.00
E,e-Carotene-3,3'-dione	57588.00	56491.00	45596.00	44579.00	64004.00	62140.00	40830.00	42718.00	80723.00	76105.00	41396.00	38748.00	52709.00	49360.00	44487.00	45376.00	57604.00	57209.00	41651.00	40279.00	47502.00	45893.00	52327.00	50364.00
Myristic Acid Alkyne	32281.00	55128.00	110963.00	106853.00	119238.00	120648.00	80939.00	81103.00	101334.00	95559.00	160629.00	154071.00	192475.00	184250.00	189273.00	177448.00	128442.00	122960.00	140074.00	135840.00	307655.00	251367.00	351690.00	315392.00
4-Heptyloxyphenol Esi+1.2420002	68894.00	70795.00	74542.00	77270.00	85719.00	79583.00	75958.00	80535.00	76305.00	81161.00	76658.00	74470.00	86774.00	91022.00	101790.00	102949.00	63675.00	67601.00	87505.00	90379.00	86085.00	82499.00	83345.00	79337.00
C12 H21 N O2	1.00	16957.00	23699.00	21083.00	39733.00	40888.00	39300.00	35266.00	21072.00	23184.00	42810.00	42211.00	29674.00	39404.00	28514.00	30325.00	26925.00	24934.00	40015.00	46245.00	18235.00	26283.00	19130.00	18370.00
C5 H11 N3 Esi+6.052001	1.00	114410.00	81186.00	83913.00	1.00	139679.00	123096.00	1.00	51714.00	156934.00	123566.00	1.00	128839.00	64635.00	116204.00	1.00	156595.00	83181.00	95039.00	1.00	1.00	116354.00	1.00	109098.00
C36 H77 N12 O4 S	68040.00	63124.00	11628.00	11285.00	1.00	1.00	1.00	1.00	36146.00	39881.00	1.00	1.00	14683.00	15706.00	1.00	11389.00	20074.00	12840.00	1.00	1.00	1.00	1.00	1.00	1.00
C7 H10	65229.00	66931.00	73011.00	63369.00	81794.00	76706.00	57557.00	72856.00	59448.00	56814.00	99359.00	109488.00	80541.00	56312.00	85334.00	33824.00	74156.00	77885.00	58138.00	56838.00	76184.00	61317.00	85207.00	82030.00
Piperidine Esi+5.8489995	73652.00	77759.00	49649.00	49123.00	36668.00	45228.00	34149.00	32154.00	23749.00	21786.00	33829.00	36894.00	33236.00	34606.00	28516.00	30680.00	171271.00	46227.00	36553.00	19820.00	18838.00	36683.00	40031.00	21885.00
5-Hydroxymethyl-2-furaldehyde Esi+2.662846	111159.00	95693.00	172297.00	167644.00	210153.00	214502.00	220396.00	191414.00	1.00	1.00	156439.00	19712.00	184196.00	169595.00	17543.00	181747.00	1129873.00	225888.00	208658.00	205275.00	237923.00	232659.00	134997.00	129462.00
9-undecynoic acid	157654.00	43146.00	53388.00	51956.00	135984.00	130831.00	104282.00	113051.00	42086.00	88377.00	167944.00	162606.00	141418.00	141926.00	151420.00	145156.00	87300.00	46498.00	39280.00	160917.00	118768.00	172820.00	209782.00	114017.00
C21 H26 N O10	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11622.00	10782.00	9807.00	1.00	1.00	74904.00	1.00	10235.00	11638.00	1.00	1.00	25322.00	27279.00
C22 H52 N26	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12415.00	12260.00	1.00	1.00	10427.00	11784.00	13806.00	14051.00	45278.00	54520.00	18197.00	16987.00	1.00	1.00	1.00	1.00
DG(20:3(8Z,11Z,14Z)/22:3(10Z,13Z,16Z)/0:0)[iso2]	44057.00	44731.00	53648.00	52398.00	48060.00	47321.00	41885.00	41258.00	36783.00	35141.00	45064.00	44481.00	50557.00	52522.00	66629.00	65621.00	56312.00	43650.00	50599.00	51911.00	48849.00	50219.00	56482.00	56613.00
Gentianadine Esi+1.7680002	234618.00	231800.00	332269.00	339912.00	321371.00	311354.00	159759.00	158818.00	1.00	1.00	300242.00	301410.00	232806.00	242203.00	273840.00	271184.00	450087.00	279233.00	253316.00	257335.00	314191.00	318715.00	96483.00	94712.00
3-Hydroxy-2-naphthoate	1.00	10186.00	28284.00	28938.00	16919.00	19032.00	13333.00	19837.00	1.00	1.00	1.00	1.00	27045.00	28829.00	22402.00	29190.00	1.00	1.00	14197.00	15662.00	11756.00	12508.00	34208.00	33428.00
Cyclopentanone Esi+1.254	88998.00	88689.00	109979.00	107860.00	94684.00	85581.00	101520.00	104141.00	68352.00	62490.00	136043.00	131984.00	82458.00	82034.00	113735.00	114743.00	64238.00	77381.00	73265.00	76600.00	103041.00	100931.00	101311.00	86647.00
Cholesta-5,7-dien-3beta-ol benzoate	48383.00	50146.00	44264.00	45647.00	62484.00	59680.00	40706.00	38787.00	63501.00	61503.00	48462.00	44922.00	51390.00	56925.00	59382.00	58541.00	57759.00	70043.00	47268.00	51126.00	61602.00	60462.00	77999.00	76468.00
5Z,9Z-Tridecadienyl acetate	48987.00	49179.00	39095.00	44035.00	133369.00	33985.00	57552.00	62569.00	85104.00	9043.00	106633.00	55336.00	96003.00	96699.00	113026.00	50270.00	20042.00	70025.00	27286.00	24312.00	47960.00	43156.00	54285.00	56431.00
C15 H29 N O2	17826.00	21723.00	1.00	1.00	31620.00	29974.00	1.00	1.00	25853.00	23941.00	24220.00	23142.00	32169.00	31797.00	30587.00	29400.00	11873.00	14764.00	13865.00	13996.00	16445.00	13247.00	16810.00	20587.00
Furfural Esi+2.639	171893.00	155339.00	163547.00	169880.00	202720.00	123037.00	133618.00	127868.00	1.00	1.00	164175.00	118308.00	180703.00	118445.00	237297.00	129914.00	1139846.00	135067.00	195832.00	130216.00	221611.00	213619.00	94434.00	1.00
C19 H41 N O2	35952.00	35373.00	39093.00	43706.00	47918.00	47500.00	37808.00	41833.00	53456.00	57706.00	35055.00	33518.00	66658.00	67736.00	35010.00	38288.00	43180.00	46379.00	29745.00	29509.00	44489.00	44494.00	46716.00	50045.00
C12 H25 N7 O3 S2	1.00	15833.00	51138.00	47385.00	29884.00	28750.00	14712.00	19096.00	1.00	1.00	17261.00	14170.00	46855.00	48120.00	56030.00	54882.00	1.00	14594.00	17911.00	17727.00	19570.00	15460.00	16236.00	14518.00
1-Phenylbiguanide	44602.00	57150.00	22897.00	20417.00	37011.00	39195.00	22449.00	26356.00	20033.00	1.00	44599.00	33901.00	27496.00	28251.00	74799.00	72184.00	22707.00	22615.00	19827.00	18682.00	16493.00	20509.00	29377.00	33027.00
C12 H12 N	46473.00	44898.00	47315.00	44943.00	46222.00	49684.00	44166.00	42389.00	65355.00	70862.00	46163.00	48420.00	48240.00	44281.00	44176.00	45146.00	68061.00	49713.00	48451.00	41182.00	49363.00	49256.00	62288.00	64358.00
C19 H41 N9 O3	155477.00	144407.00	42970.00	57615.00	53743.00	171527.00	143172.00	164094.00	56247.00	157375.00	152807.00	155380.00	149032.00	156627.00	28923.00	54271.00	158753.00	160643.00	150422.00	166970.00	40672.00	152594.00	40368.00	145699.00
Nitrothal-isopropyl Esi+2.8709993	65683.00	43946.00	1108217.00	1132231.00	842550.00	873735.00	594175.00	656672.00	1.00	1.00	626129.00	499989.00	1075548.00	1174464.00	850987.00	1102626.00	95119.00	576763.00	702029.00	750969.00	566983.00	557751.00	415240.00	23755.00
C6 H7 N4 O6	27737.00	25811.00	22185.00	21236.00	22668.00	22224.00	20565.00	19038.00	15126.00	14331.00	20265.00	22745.00	21262.00	19474.00	23465.00	22367.00	67827.00	23628.00	21110.00	21128.00	20245.00	20535.00	22872.00	22237.00
C17 H6 N8 O2	1.00	17583.00	1.00	16211.00	29604.00	60286.00	14297.00	21143.00	1.00	1.00	1.00	15992.00	13927.00	1.00	14198.00	26886.00	17218.00	1.00	1.00	16355.00	1.00	14024.00	1.00	1.00
6E-nonenoic acid	71360.00	75799.00	55846.00	56123.00	90631.00	93075.00	54552.00	57345.00	38478.00	40935.00	108529.00	86007.00	62225.00	68070.00	82227.00	68258.00	64920.00	50079.00	56987.00	55810.00	58854.00	60664.00	56979.00	59726.00
C28 H59 N11 O4	32160.00	76627.00	49350.00	49047.00	100461.00	102120.00	81039.00	85804.00	42757.00	36875.00	54070.00	54084.00	109936.00	98916.00	76145.00	66837.00	68301.00	39088.00	25337.00	66563.00	78150.00	28883.00	62425.00	63224.00
C7 H15 N5 O3 S	18271.00	12078.00	43913.00	44912.00	44177.00	42665.00	39375.00	30807.00	1.00	1.00	1.00	17504.00	48909.00	44909.00	68176.00	55336.00	40439.00	36353.00	43347.00	44769.00	45236.00	44021.00	19247.00	20224.00
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide	50105.00	52304.00	47118.00	54441.00	61129.00	61222.00	49386.00	46704.00	1.00	1.00	47330.00	47745.00	50292.00	48856.00	56940.00	53056.00	1.00	48467.00	49850.00	56263.00	61089.00	56955.00	37347.00	34023.00
C23 H22 N O9	45875.00	36154.00	12783.00	15149.00	22813.00	20906.00	32940.00	23731.00	1.00	1.00	17486.00	25360.00	16708.00	14419.00	59919.00	28282.00	1.00	35416.00	25962.00	25958.00	28211.00	25997.00	1.00	1.00
L-Glutamate	20498.00	20871.00	21564.00	21537.00	28845.00	31402.00	19019.00	17910.00	1.00	1.00	15038.00	13620.00	24211.00	25168.00	40215.00	37510.00	37287.00	1.00	20394.00	22931.00	23615.00	22356.00	52864.00	52012.00
C24 H55 N4 O7	1.00	27557.00	1.00	1.00	40147.00	17035.00	1.00	1.00	18258.00	15350.00	1.00	1.00	15289.00	30102.00	59907.00	50808.00	46552.00	16790.00	1.00	1.00	1.00	1.00	35596.00	31630.00
C29 H57 N4 O8 Esi+3.0500002	236317.00	473902.00	423474.00	220082.00	368806.00	558245.00	409662.00	539704.00	606939.00	206008.00	436789.00	404460.00	185625.00	448265.00	352937.00	394222.00	1.00	230701.00	382399.00	431908.00	250546.00	287288.00	371399.00	451125.00
Conicasterol C	75890.00	78298.00	58062.00	56923.00	90906.00	87176.00	96177.00	96418.00	28932.00	31140.00	23886.00	29118.00	32543.00	31570.00	69484.00	62323.00	30234.00	34753.00	37188.00	35809.00	53374.00	50524.00	62207.00	59452.00
Myrrhanol A	46590.00	45879.00	52699.00	54396.00	69498.00	65908.00	57103.00	55138.00	13201.00	12290.00	18467.00	20821.00	60673.00	10279.00	44243.00	44357.00	1.00	32291.00	17309.00	16176.00	33898.00	33763.00	36777.00	34549.00
C31 H69 N4 O11 Esi+2.9469995	86310.00	116594.00	198635.00	46138.00	168626.00	90290.00	56736.00	125764.00	62555.00	66565.00	80764.00	122904.00	125375.00	211675.00	36116.00	120903.00	1.00	63396.00	138540.00	112507.00	108595.00	40421.00	109047.00	169821.00
4-octenal	62998.00	57511.00	20669.00	33702.00	69008.00	32120.00	78448.00	64961.00	32476.00	31919.00	111960.00	112843.00	42872.00	39282.00	43657.00	46315.00	28482.00	34167.00	29998.00	54981.00	73730.00	36355.00	43579.00	44733.00
C-6 Ceramide	1.00	237881.00	224357.00	223045.00	239178.00	240758.00	237076.00	237568.00	221503.00	228166.00	231164.00	223514.00	255997.00	241292.00	236303.00	237557.00	233389.00	221758.00	225412.00	238186.00	234581.00	234281.00	237976.00	241794.00
C22 H48 N5 O	1.00	11347.00	1.00	1.00	13381.00	14854.00	1.00	1.00	21133.00	22111.00	11611.00	12022.00	21954.00	20476.00	20515.00	17684.00	1.00	1.00	28842.00	30361.00	13478.00	13535.00	11833.00	10559.00
C7 H12 N5 O6	76266.00	58250.00	39428.00	33663.00	1.00	1.00	19105.00	1.00	1.00	1.00	22760.00	32134.00	20057.00	15231.00	18480.00	1.00	51519.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C32 H20 N12 O7	48139.00	43816.00	45684.00	44933.00	46306.00	47153.00	46760.00	35364.00	1.00	1.00	49685.00	59486.00	44756.00	37620.00	55749.00	38579.00	62770.00	42314.00	43660.00	45591.00	49392.00	43646.00	51317.00	48583.00
C25 H52 N2 O18	20323.00	20789.00	52646.00	54435.00	53763.00	50867.00	57887.00	57580.00	18385.00	20674.00	72501.00	71780.00	35720.00	35015.00	26543.00	32357.00	24061.00	26229.00	39891.00	43885.00	46027.00	47786.00	15239.00	15476.00
Lasiodine A	1.00	1.00	57672.00	57262.00	37423.00	37071.00	59287.00	58612.00	1.00	1.00	61569.00	58114.00	23118.00	19584.00	18452.00	16959.00	14639.00	12249.00	42300.00	44573.00	40385.00	38956.00	1.00	1.00
C6 H7 O2	13330.00	11509.00	13101.00	12375.00	16412.00	15974.00	1.00	1.00	1.00	1.00	1.00	1.00	20666.00	14308.00	9463.00	11908.00	1.00	1.00	10246.00	1.00	1.00	1.00	38427.00	35126.00
C18 H33 N3 O3	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	27133.00	27526.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
3-heptenal	60923.00	60263.00	52726.00	55019.00	73529.00	75491.00	54357.00	58665.00	50329.00	48930.00	106328.00	103448.00	65697.00	68128.00	78071.00	84163.00	50172.00	59650.00	49997.00	46003.00	76919.00	77160.00	77237.00	72045.00
C13 H25 N7 O9	33051.00	33724.00	41252.00	38747.00	30512.00	32571.00	27562.00	26370.00	1.00	1.00	21790.00	1.00	42689.00	37203.00	57081.00	42553.00	1.00	1.00	22649.00	25955.00	1.00	1.00	21833.00	20512.00
1-(2-Pyrimidyl)piperazine	45670.00	43081.00	38284.00	38045.00	41452.00	37015.00	59424.00	60859.00	15972.00	17932.00	56311.00	57405.00	22633.00	21680.00	46194.00	46971.00	19427.00	20558.00	32814.00	35315.00	58973.00	58017.00	21137.00	25896.00
(2R)-2-Hydroxy-2-methylbutanenitrile Esi+1.7970006	296361.00	275977.00	517251.00	523219.00	277462.00	281529.00	101913.00	94357.00	18426.00	17744.00	252233.00	255778.00	253573.00	254811.00	495558.00	498275.00	453988.00	373509.00	317643.00	297727.00	318072.00	317271.00	189572.00	188378.00
C12 H18 N	35738.00	36246.00	28192.00	24843.00	37224.00	35840.00	34896.00	39958.00	29631.00	30468.00	51764.00	49238.00	29984.00	38649.00	51701.00	51671.00	23490.00	23697.00	44770.00	43117.00	45312.00	40056.00	35574.00	36717.00
C23 H44 N5 O2	34022.00	33892.00	32105.00	35501.00	57928.00	74803.00	40155.00	39192.00	40668.00	41720.00	37612.00	35782.00	44242.00	42677.00	143820.00	146698.00	61102.00	64046.00	40993.00	40061.00	27819.00	49829.00	66238.00	55812.00
C20 H28 N5 O15	44130.00	41947.00	21731.00	21982.00	26743.00	26535.00	1.00	1.00	33712.00	31189.00	26896.00	24890.00	26934.00	25565.00	20634.00	18615.00	32003.00	34538.00	27977.00	26857.00	39857.00	38983.00	48087.00	51428.00
10-oxo-nonadecanoic acid	41432.00	38610.00	52910.00	53418.00	64530.00	61027.00	81310.00	79189.00	36682.00	47597.00	62290.00	58273.00	41416.00	43669.00	59751.00	63068.00	33258.00	33780.00	46255.00	44884.00	47213.00	48905.00	46912.00	48820.00
Temurin	34623.00	34516.00	26804.00	32082.00	36964.00	35369.00	23781.00	23926.00	1.00	1.00	44983.00	56637.00	47853.00	47270.00	47908.00	38986.00	397301.00	37164.00	44372.00	43721.00	39266.00	37573.00	55020.00	56401.00
4-n-Hexylphenol	57002.00	70167.00	47923.00	47318.00	92633.00	88032.00	64135.00	63716.00	77510.00	78844.00	86759.00	84881.00	62510.00	60074.00	98285.00	91900.00	50867.00	59381.00	62447.00	60553.00	92566.00	85881.00	105030.00	108076.00
C19 H38 N6 O6	86685.00	79990.00	74648.00	93760.00	90849.00	94497.00	77155.00	98828.00	46287.00	46537.00	76926.00	79883.00	104017.00	92689.00	93639.00	98641.00	40179.00	94011.00	105837.00	100963.00	100929.00	77307.00	78280.00	79249.00
C11 H18 O4 Esi+1.3120002	87667.00	90735.00	79837.00	81502.00	74841.00	72491.00	89878.00	97393.00	161540.00	153624.00	89095.00	98947.00	80373.00	81590.00	77507.00	67057.00	66512.00	77469.00	92375.00	91393.00	84626.00	83800.00	100967.00	99272.00
C4 H4 Cl N2 O2	30135.00	26648.00	27288.00	26634.00	28126.00	29941.00	36475.00	32249.00	1.00	1.00	24287.00	29958.00	26107.00	22629.00	48370.00	41737.00	110623.00	38239.00	39588.00	38903.00	28247.00	24083.00	38336.00	39254.00
MG(20:0/0:0/0:0)	57013.00	53025.00	54742.00	51149.00	48797.00	38360.00	49179.00	39874.00	62059.00	63681.00	74843.00	71155.00	50129.00	43385.00	65710.00	48098.00	53590.00	47891.00	52275.00	46452.00	57306.00	44636.00	83789.00	72460.00
C14 H32 Cl N3 O	31376.00	34612.00	29430.00	25959.00	46082.00	43046.00	51795.00	51341.00	38702.00	46510.00	60904.00	36363.00	40643.00	43668.00	32461.00	29172.00	30234.00	32568.00	33314.00	24821.00	34778.00	28204.00	38684.00	32470.00
C13 H25 N2 S	41743.00	38318.00	32523.00	39879.00	51420.00	40923.00	22667.00	47184.00	44389.00	41968.00	66056.00	52693.00	44382.00	39437.00	42360.00	55557.00	45453.00	47416.00	43934.00	37255.00	39889.00	49946.00	36334.00	88562.00
C9 H19 N3 O2	16299.00	15707.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11194.00	1.00	14084.00	14737.00	57450.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C28 H63 N4 O10 Esi+1.25	142693.00	748361.00	729886.00	143527.00	769412.00	746831.00	142015.00	752921.00	148663.00	150886.00	735430.00	537998.00	155552.00	748624.00	157574.00	155520.00	150096.00	759543.00	141135.00	773203.00	167683.00	745158.00	756673.00	756227.00
C29 H57 N4 O8 Esi+1.3969998	101430.00	104183.00	100339.00	95489.00	53941.00	147602.00	105845.00	98033.00	82665.00	80225.00	112418.00	90461.00	53854.00	134380.00	110464.00	104349.00	1.00	93881.00	99487.00	118692.00	103799.00	124363.00	91197.00	100323.00
Acremoauxin A Esi+2.5680006	42210.00	38455.00	54190.00	56824.00	30354.00	36151.00	29792.00	31102.00	1.00	1.00	22511.00	26194.00	68517.00	62482.00	76358.00	58960.00	1.00	27710.00	34889.00	33520.00	24184.00	23082.00	32851.00	33729.00
C28 H55 N18	60615.00	55666.00	35631.00	1.00	70109.00	70076.00	34210.00	33748.00	73558.00	72596.00	1.00	36518.00	69098.00	63821.00	71035.00	70793.00	1.00	86808.00	45247.00	46633.00	52677.00	52120.00	54318.00	55826.00
11-lauroleic acid	139414.00	136475.00	87988.00	76101.00	125184.00	109676.00	99428.00	107705.00	56722.00	83209.00	260673.00	335635.00	110550.00	94781.00	203575.00	156540.00	165873.00	140560.00	99685.00	128091.00	158245.00	154590.00	132088.00	133316.00
Butyl acetate	122677.00	48204.00	124360.00	128464.00	56174.00	56342.00	133720.00	135276.00	51472.00	49366.00	78995.00	195717.00	131201.00	130804.00	146459.00	146826.00	113779.00	125753.00	101529.00	107067.00	125624.00	128049.00	122326.00	120042.00
6-hydroxy caproic acid Esi+1.6609995	48391.00	49130.00	39866.00	39995.00	56083.00	60612.00	68228.00	65923.00	26581.00	24308.00	62181.00	61174.00	34438.00	34977.00	55726.00	54526.00	37579.00	32544.00	39977.00	37690.00	65745.00	64525.00	31069.00	33487.00
PAF C-16 Esi+6.5449986	32393.00	34855.00	78455.00	76877.00	84994.00	80230.00	68867.00	51514.00	55954.00	60061.00	51634.00	68357.00	547999.00	8888.00	260490.00	182755.00	17647.00	219681.00	40642.00	41212.00	54920.00	51518.00	80971.00	79638.00
Obtusilic acid Esi+1.149	61132.00	87674.00	41395.00	46083.00	70143.00	73404.00	102629.00	106970.00	81108.00	77065.00	69655.00	181360.00	52498.00	114538.00	124045.00	128495.00	33166.00	40531.00	87491.00	50368.00	56929.00	104794.00	72156.00	62675.00
Glucolepidiin Esi+2.819	408856.00	71411.00	182510.00	458160.00	429487.00	160297.00	447974.00	441997.00	1.00	1.00	177918.00	467604.00	466944.00	173231.00	464626.00	437812.00	1.00	90826.00	444702.00	443788.00	445645.00	439160.00	363448.00	358591.00
Elatine	40336.00	40143.00	29693.00	28302.00	34499.00	33749.00	25400.00	27485.00	54913.00	53112.00	28996.00	29765.00	46837.00	46196.00	36776.00	34225.00	39421.00	48093.00	30197.00	28627.00	47023.00	44538.00	47616.00	50168.00
2-Octylglycerol	70828.00	70302.00	47724.00	55095.00	65712.00	64315.00	54136.00	44722.00	47702.00	29317.00	56563.00	66428.00	50909.00	73532.00	73955.00	73082.00	51314.00	69026.00	60830.00	64916.00	78829.00	76632.00	41521.00	45760.00
C3 H6 O Esi+1.1499997	17148.00	17568.00	19486.00	20250.00	13271.00	13345.00	15551.00	17638.00	36938.00	36798.00	23532.00	24581.00	23456.00	24260.00	18861.00	19355.00	22509.00	21278.00	23267.00	25091.00	15878.00	16850.00	26622.00	24449.00
N-acyl capnines	55343.00	58910.00	37241.00	39355.00	69192.00	73111.00	35919.00	1.00	74206.00	71958.00	39203.00	37232.00	72411.00	67063.00	56717.00	85177.00	84479.00	90657.00	42580.00	46105.00	54008.00	50090.00	61875.00	60200.00
C17 H26 N O2	30145.00	26822.00	30257.00	28250.00	20472.00	21435.00	19536.00	35459.00	39242.00	40222.00	45693.00	27235.00	37346.00	38459.00	33496.00	40611.00	21277.00	23753.00	31738.00	28968.00	24604.00	26595.00	29850.00	34836.00
o-Xylene	55708.00	72428.00	78485.00	73317.00	69719.00	68479.00	78167.00	78831.00	73776.00	78810.00	73633.00	71085.00	65804.00	66449.00	72914.00	78678.00	75109.00	74752.00	64679.00	53177.00	81825.00	71498.00	67335.00	62079.00
C28 H56 N21 O	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14400.00	14630.00	1.00	1.00	12922.00	11116.00	14714.00	16745.00	51467.00	60757.00	18502.00	19778.00	1.00	1.00	1.00	1.00
2,4'-Diphenyldiamine	23114.00	21631.00	46976.00	46348.00	60225.00	59477.00	546373.00	529407.00	1.00	1.00	39720.00	41486.00	32539.00	31952.00	190828.00	187887.00	146018.00	76578.00	75489.00	85207.00	65621.00	66087.00	186615.00	187890.00
1-Palmitoyllysophosphatidylcholine Esi+6.628001	1526198.00	49642.00	53312.00	49910.00	71020.00	66974.00	43216.00	43290.00	938996.00	53479.00	55067.00	56241.00	16438.00	13370.00	9416.00	171668.00	23568.00	174458.00	35062.00	35537.00	50780.00	47953.00	56218.00	56303.00
CAY10621 Esi+0.9069997	144371.00	138298.00	135603.00	133084.00	139865.00	46662.00	143949.00	90710.00	91565.00	96057.00	142862.00	160596.00	97404.00	137689.00	66953.00	133510.00	143315.00	85587.00	144180.00	142076.00	69680.00	135681.00	82468.00	64947.00
C21 H26 N O10 Esi+3.6100004	24057.00	24222.00	20868.00	23479.00	21853.00	23542.00	11235.00	12802.00	1.00	1.00	30727.00	31806.00	44481.00	44216.00	49034.00	37463.00	192698.00	13846.00	26287.00	28070.00	20454.00	20588.00	42249.00	42498.00
C13 H16	1.00	1.00	10427.00	1.00	11186.00	14898.00	1.00	1.00	12023.00	1.00	11103.00	15472.00	12660.00	12092.00	14631.00	22834.00	9938.00	13169.00	12664.00	11412.00	19499.00	22187.00	21804.00	17920.00
C12 H25 N4 O8 S Esi+2.8730001	64027.00	74499.00	48697.00	42104.00	55792.00	52093.00	37535.00	36832.00	117982.00	128835.00	40528.00	38568.00	35373.00	45449.00	43316.00	53285.00	166735.00	27223.00	41283.00	40911.00	30298.00	34717.00	492758.00	471463.00
1a,1b-dihomo-PGE1	25476.00	24693.00	20294.00	24923.00	40317.00	66056.00	24864.00	20696.00	19454.00	24189.00	49884.00	63573.00	29727.00	22853.00	29286.00	39294.00	24315.00	18705.00	18254.00	26184.00	23949.00	25112.00	28004.00	27107.00
3S-hydroxy-dodecanoic acid	137173.00	126846.00	50244.00	58786.00	155514.00	152441.00	64783.00	65889.00	46391.00	49480.00	120629.00	115538.00	99914.00	59016.00	104585.00	99674.00	55585.00	63607.00	60387.00	49671.00	139191.00	139569.00	145454.00	95482.00
C46 H67 N10 O2	39810.00	38477.00	13996.00	12884.00	1.00	1.00	1.00	1.00	18214.00	19528.00	1.00	1.00	9312.00	1.00	11102.00	11094.00	12032.00	11604.00	1.00	1.00	1.00	1.00	1.00	1.00
Limonene-1,2-epoxide	43148.00	43592.00	1.00	1.00	49404.00	46624.00	43871.00	41557.00	1.00	1.00	61437.00	60269.00	21537.00	23724.00	61767.00	62717.00	1.00	1.00	19588.00	20464.00	51917.00	52007.00	39419.00	36705.00
15-oxo-18Z-tetracosenoic acid	911362.00	171434.00	166890.00	171767.00	185579.00	161878.00	168660.00	55941.00	595688.00	393742.00	197106.00	139338.00	676066.00	174501.00	172526.00	129694.00	164204.00	161542.00	395210.00	169390.00	175064.00	171348.00	411537.00	178155.00
C22 H34 N6 O5	49471.00	50254.00	40365.00	41724.00	40411.00	41071.00	40814.00	40336.00	33282.00	36220.00	40275.00	42253.00	40947.00	42391.00	43348.00	38156.00	50002.00	39848.00	44905.00	43292.00	41737.00	39747.00	36843.00	35229.00
C24 H51 N11 O4	63644.00	73732.00	98991.00	54656.00	1.00	93831.00	45365.00	55720.00	1.00	1.00	93631.00	1.00	81459.00	1.00	1.00	238794.00	1.00	79539.00	1.00	1.00	106019.00	40024.00	58883.00	1.00
Thr Trp Cys	27540.00	28583.00	33714.00	33596.00	36051.00	33496.00	32044.00	29818.00	43170.00	47626.00	34009.00	36187.00	36329.00	30950.00	32623.00	31782.00	55230.00	36570.00	35319.00	32983.00	33556.00	34565.00	49759.00	49388.00
Palmitoyl Serotonin	42018.00	43519.00	35441.00	35981.00	45551.00	52191.00	37667.00	29519.00	45391.00	52214.00	53561.00	55598.00	42843.00	41597.00	45351.00	48856.00	48303.00	49312.00	37681.00	39439.00	48158.00	52996.00	69191.00	64272.00
C17 H43 N7 O2	14621.00	1.00	37065.00	34964.00	37113.00	31957.00	46248.00	47642.00	26813.00	29788.00	21024.00	19455.00	42313.00	37903.00	17032.00	18273.00	40030.00	36762.00	1.00	1.00	1.00	15168.00	23982.00	21057.00
C15 H26 N O19	29099.00	30414.00	23879.00	27541.00	35014.00	33223.00	24445.00	23445.00	1.00	1.00	39559.00	48123.00	41711.00	41754.00	39741.00	35401.00	25653.00	41753.00	43058.00	45588.00	43183.00	40130.00	47234.00	50204.00
1-(1-Oxopropyl)-1H-imidazole	74024.00	42669.00	43717.00	42062.00	24973.00	81449.00	1.00	1.00	1.00	1.00	39570.00	73972.00	72571.00	34990.00	46648.00	64946.00	1.00	35844.00	40799.00	38862.00	51412.00	46728.00	32771.00	37392.00
C15 H22 N7	1.00	1.00	22499.00	25402.00	55996.00	1.00	1.00	1.00	1.00	34151.00	1.00	1.00	64680.00	36054.00	1.00	1.00	38796.00	52881.00	1.00	10071.00	1.00	1.00	1.00	1.00
C6 H15 N O Esi+6.7230015	29370.00	18476.00	23658.00	1.00	5311.00	1.00	25053.00	29139.00	34028.00	144640.00	17544.00	9258.00	12376.00	1.00	9831.00	74685.00	39351.00	1.00	14215.00	19399.00	38226.00	30523.00	23124.00	18476.00
C5 H11 N3 Esi+5.7790008	210702.00	212791.00	39163.00	39717.00	43382.00	123535.00	40612.00	114176.00	53075.00	203241.00	39264.00	30977.00	242366.00	25978.00	225011.00	126952.00	35262.00	40227.00	240529.00	39384.00	218697.00	231049.00	28983.00	49149.00
C12 H24 O S	25819.00	19568.00	37661.00	45897.00	25475.00	19732.00	26446.00	29772.00	55410.00	55771.00	26756.00	25895.00	48009.00	46297.00	16497.00	13692.00	51351.00	58339.00	43543.00	46425.00	20957.00	13654.00	33707.00	31784.00
Arg Phe	258339.00	116993.00	110024.00	58708.00	156372.00	245914.00	231136.00	252031.00	93972.00	135806.00	261471.00	159486.00	253043.00	152510.00	140874.00	236688.00	275341.00	263673.00	153139.00	132061.00	249784.00	129490.00	262516.00	156352.00
Gln Phe Asn	21420.00	27112.00	45491.00	43087.00	35601.00	35507.00	20986.00	27104.00	1.00	1.00	25664.00	16641.00	39141.00	40871.00	48038.00	47781.00	1.00	23385.00	24241.00	26262.00	26568.00	26861.00	26985.00	25337.00
C15 H27 N O6	38010.00	40026.00	22960.00	25593.00	75522.00	72834.00	17876.00	18964.00	654499.00	665428.00	51690.00	48172.00	148107.00	150265.00	34742.00	36503.00	24551.00	15835.00	178005.00	176018.00	29683.00	16289.00	169424.00	166546.00
C14 H19 N8 O7	8949.00	9895.00	12515.00	12620.00	10029.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11726.00	14394.00	10794.00	16559.00	1.00	1.00	1.00	1.00	1.00	1.00	16704.00	18967.00
C19 H7 N2 O22	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10675.00	10209.00	1.00	1.00	11120.00	1.00	9986.00	1.00	45458.00	52228.00	16382.00	17072.00	1.00	1.00	1.00	1.00
C43 H27 N11	45265.00	42653.00	48722.00	47772.00	41959.00	31828.00	54386.00	50132.00	42167.00	43084.00	56447.00	57518.00	45541.00	46341.00	45503.00	44229.00	36011.00	42547.00	47572.00	48177.00	42306.00	42947.00	40174.00	44560.00
8-hydroxy caprylic acid	41307.00	45545.00	37098.00	34710.00	47530.00	49059.00	54092.00	54854.00	25070.00	26366.00	54628.00	53850.00	34565.00	32843.00	54277.00	55371.00	28816.00	28161.00	34471.00	38626.00	58983.00	57828.00	41026.00	39345.00
C14 H26 N7 O Esi+1.405	1.00	1.00	1.00	1.00	41872.00	25759.00	35342.00	28701.00	1.00	1.00	51219.00	39489.00	25238.00	33768.00	36438.00	28347.00	67724.00	1.00	1.00	1.00	1.00	40416.00	1.00	1.00
5-Hydroxymethyl-2-furaldehyde Esi+2.6391153	177622.00	164691.00	172297.00	167644.00	217701.00	214502.00	220396.00	191760.00	1.00	1.00	156439.00	169369.00	171873.00	169595.00	238671.00	181747.00	1132815.00	226444.00	208658.00	205664.00	237848.00	232659.00	95108.00	101565.00
C10 H31 N12 O3	346155.00	355299.00	347236.00	65420.00	372371.00	76976.00	59183.00	374285.00	72735.00	360297.00	361618.00	368027.00	378557.00	355741.00	346582.00	355737.00	376741.00	362510.00	369227.00	371830.00	389108.00	365880.00	383272.00	415223.00
7-nonynoic acid	53913.00	54095.00	52120.00	49580.00	80240.00	80967.00	84356.00	78394.00	36575.00	41436.00	90910.00	84521.00	69569.00	67219.00	71034.00	75627.00	40759.00	38811.00	56461.00	66002.00	56981.00	52686.00	48402.00	45009.00
C22 H36 N3 O3	97199.00	117874.00	117484.00	108758.00	101529.00	52126.00	101140.00	131780.00	1.00	1.00	56098.00	116487.00	61566.00	98686.00	115030.00	62475.00	1.00	114783.00	71596.00	101813.00	128447.00	109638.00	112050.00	1.00
C20 H37 N7	23973.00	25997.00	1.00	1.00	32719.00	30145.00	45127.00	40979.00	36196.00	37435.00	37285.00	35015.00	46745.00	41923.00	32960.00	33011.00	27488.00	27865.00	31018.00	36894.00	28228.00	27352.00	33368.00	35471.00
C18 H9 O21 S	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11134.00	10700.00	1.00	1.00	10682.00	11019.00	1.00	1.00	45117.00	50586.00	15252.00	15429.00	1.00	1.00	1.00	1.00
C20 H36 N7	156663.00	171869.00	173741.00	167397.00	67598.00	72889.00	180378.00	178990.00	72314.00	56790.00	156357.00	188388.00	157294.00	51211.00	129194.00	144444.00	36974.00	145836.00	59592.00	134901.00	66990.00	52712.00	167066.00	206132.00
C4 H8 N2	52268.00	41624.00	38978.00	51035.00	52063.00	58317.00	36788.00	53858.00	157317.00	93058.00	38796.00	49088.00	50795.00	52910.00	52979.00	54344.00	47513.00	50179.00	55916.00	37388.00	49586.00	46014.00	61032.00	61229.00
C10 H19 N8 O	23784.00	23503.00	1.00	1.00	31465.00	33371.00	39535.00	39236.00	1.00	1.00	49198.00	48806.00	15137.00	17663.00	22623.00	24548.00	1.00	1.00	1.00	1.00	18960.00	17561.00	1.00	1.00
Ethoate-methyl	21662.00	22334.00	16164.00	17660.00	23868.00	23267.00	17348.00	16011.00	1.00	1.00	28608.00	38028.00	28604.00	28257.00	25181.00	22563.00	195828.00	28206.00	28499.00	27505.00	28072.00	28824.00	35139.00	33954.00
C42 H87 N O13	52397.00	52017.00	1.00	1.00	1.00	1.00	1.00	1.00	36107.00	37194.00	1.00	1.00	16537.00	17430.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C26 H46 S	30114.00	1.00	29681.00	13123.00	44763.00	38924.00	13114.00	32971.00	45020.00	43162.00	34079.00	32694.00	24326.00	33465.00	75881.00	78898.00	46179.00	48773.00	28592.00	30754.00	26749.00	32435.00	39161.00	36448.00
C10 H21 Cl N	1.00	1.00	20794.00	20511.00	20185.00	20344.00	13861.00	13045.00	16179.00	18978.00	25255.00	27479.00	39618.00	27949.00	35807.00	29736.00	27872.00	22765.00	23294.00	27509.00	59269.00	47877.00	59827.00	54765.00
C3 H5 N3 O	13921.00	11629.00	15937.00	14980.00	15661.00	13652.00	15814.00	13182.00	1.00	1.00	13050.00	15066.00	16693.00	13708.00	19273.00	16484.00	54889.00	17731.00	25597.00	28559.00	12943.00	15963.00	11081.00	12032.00
Lys Lys Lys	41738.00	34253.00	43295.00	54442.00	65373.00	56429.00	57290.00	64711.00	59741.00	48236.00	81002.00	74502.00	67132.00	70476.00	66171.00	54457.00	42467.00	39340.00	40950.00	33521.00	40414.00	57295.00	70045.00	68522.00
C18 H32 N4	1.00	1.00	1.00	20376.00	19347.00	21080.00	1.00	1.00	27457.00	28909.00	28713.00	28064.00	23846.00	22289.00	25597.00	23019.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
4-Vinylcyclohexene	44058.00	45984.00	66230.00	49854.00	42736.00	54177.00	51088.00	52240.00	35322.00	40475.00	71640.00	63634.00	71837.00	79671.00	56596.00	56038.00	37136.00	39010.00	38696.00	64157.00	52066.00	53458.00	47884.00	38877.00
n-Butylbenzene	50414.00	50932.00	26058.00	26402.00	53919.00	51618.00	49024.00	49573.00	17448.00	1.00	60130.00	66014.00	29372.00	31107.00	68748.00	63162.00	1.00	17761.00	34237.00	21882.00	58784.00	56221.00	43871.00	48311.00
Thr Trp Cys Esi+5.747	27540.00	28583.00	33714.00	33596.00	36051.00	33496.00	32044.00	29818.00	43170.00	47626.00	34009.00	36187.00	36329.00	30950.00	32623.00	31782.00	55230.00	36570.00	35319.00	32983.00	33556.00	34565.00	49759.00	49388.00
L-Valine Esi+6.5299993	118965.00	96696.00	64960.00	108876.00	108189.00	83661.00	65695.00	85652.00	105432.00	80852.00	104668.00	106587.00	94732.00	47770.00	102394.00	91635.00	275360.00	93018.00	76416.00	100277.00	79883.00	84866.00	87538.00	96622.00
(E)-3-methylglutaconic acid Esi+2.6370776	347686.00	208793.00	329019.00	328172.00	413800.00	398718.00	411810.00	401103.00	1.00	1.00	329895.00	242384.00	368237.00	346815.00	461135.00	383569.00	2125444.00	451955.00	404447.00	394712.00	443384.00	444783.00	199700.00	193986.00
Trimethylolpropane triacrylate	22116.00	19330.00	1.00	17885.00	32510.00	33119.00	15590.00	17083.00	45263.00	49716.00	17002.00	17647.00	36243.00	33000.00	25077.00	25540.00	31263.00	35866.00	19435.00	20338.00	28421.00	26653.00	19208.00	21905.00
9E,11-Dodecadienal	81311.00	83444.00	18050.00	19310.00	16213.00	17322.00	12039.00	81363.00	14852.00	14978.00	23897.00	24067.00	27197.00	27732.00	23451.00	23289.00	18418.00	19564.00	19625.00	18888.00	36765.00	33168.00	45655.00	38990.00
L-Threonine	47086.00	37213.00	35106.00	33823.00	38814.00	34440.00	40367.00	26241.00	1.00	1.00	31083.00	43858.00	34642.00	28219.00	53099.00	34204.00	487116.00	37785.00	28602.00	29700.00	33434.00	29402.00	39587.00	40407.00
9Z,11-Dodecadien-1-ol	65069.00	54015.00	64710.00	63603.00	48165.00	41834.00	47357.00	60722.00	64570.00	57248.00	57698.00	55209.00	56182.00	52389.00	60521.00	63484.00	45451.00	61464.00	39353.00	72192.00	68869.00	56583.00	59731.00	64879.00
8Z-undecenoic acid Esi+1.2472	18110.00	19586.00	1.00	1.00	23774.00	1.00	68829.00	56183.00	1.00	1.00	1.00	1.00	55930.00	16905.00	45605.00	26126.00	86780.00	1.00	1.00	1.00	82015.00	42035.00	1.00	72035.00
C6 H10 N3 O2 S	13617.00	12527.00	24425.00	27261.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	33090.00	33368.00	42156.00	42630.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C9 H17 N3 O Esi+5.3769994	268409.00	310574.00	277325.00	371645.00	261872.00	238129.00	284505.00	109607.00	341746.00	149953.00	161186.00	233575.00	203921.00	255422.00	222960.00	332006.00	232405.00	307634.00	317536.00	308741.00	234917.00	256453.00	315068.00	285269.00
C27 H47 N11 O10	1.00	1.00	35459.00	36610.00	28726.00	28610.00	42068.00	40142.00	1.00	1.00	51383.00	49606.00	19429.00	18328.00	15013.00	12880.00	10746.00	11157.00	29807.00	30324.00	27209.00	26553.00	1.00	1.00
Tetradecylamine	77345.00	46768.00	65666.00	64428.00	73141.00	62743.00	80585.00	41846.00	19908.00	18508.00	79170.00	78937.00	74106.00	68647.00	73104.00	75047.00	30222.00	58944.00	1.00	44654.00	68939.00	74137.00	1.00	64313.00
C18 H39 N O	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12286.00	12990.00	1.00	1.00	23776.00	22649.00	1.00	1.00	45673.00	25389.00	1.00	1.00	1.00	1.00	1.00	1.00
1-Methylhypoxanthine	41920.00	41652.00	41725.00	38478.00	36309.00	35419.00	31716.00	31965.00	1.00	1.00	29274.00	27864.00	35875.00	40207.00	34611.00	33528.00	51222.00	39831.00	39036.00	39285.00	33740.00	37658.00	24969.00	24939.00
C25 H36 N17 O5 Esi+1.8330001 :2	29894.00	1.00	287678.00	302039.00	328435.00	322444.00	350381.00	379551.00	1.00	31622.00	390188.00	395060.00	151625.00	124640.00	133158.00	127911.00	1.00	120898.00	331562.00	335386.00	352360.00	350487.00	58699.00	56448.00
C17 Sphinganine Esi+4.059999 :1	101149.00	101404.00	108446.00	111052.00	112142.00	109091.00	178403.00	173608.00	179837.00	179574.00	152282.00	150141.00	598718.00	602195.00	150389.00	158206.00	110502.00	113597.00	81148.00	76328.00	118326.00	116893.00	102333.00	107556.00
Sennidin A	43272.00	38025.00	41708.00	37363.00	35957.00	36267.00	40432.00	35831.00	1.00	1.00	40379.00	44627.00	34882.00	28984.00	41823.00	31931.00	53391.00	33321.00	33401.00	33824.00	35706.00	33788.00	37711.00	37395.00
Netilmicin	62711.00	47681.00	1.00	62057.00	46716.00	38583.00	63772.00	68136.00	50314.00	51491.00	52048.00	69438.00	35118.00	65078.00	31794.00	61508.00	73228.00	37867.00	62719.00	31665.00	73707.00	72511.00	1.00	1.00
Hexamethylphosphoramide	23909.00	22214.00	32892.00	31522.00	39949.00	39188.00	24706.00	25488.00	1.00	1.00	21669.00	27265.00	27160.00	24521.00	35076.00	31762.00	101516.00	43835.00	27462.00	29692.00	51009.00	48278.00	18867.00	17669.00
Bis (2-hydroxypropyl) amine Esi+5.6999984	52422.00	32499.00	58570.00	54903.00	59980.00	51862.00	36801.00	79428.00	23234.00	87515.00	43965.00	32900.00	24000.00	34294.00	40218.00	72871.00	25866.00	38646.00	38387.00	34503.00	33503.00	60564.00	28677.00	19282.00
C18 H48 N19 O3	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10136.00	1.00	1.00	10152.00	1.00	16678.00	17407.00	32189.00	43833.00	12713.00	12644.00	1.00	1.00	1.00	1.00
C25 H53 N11 O3	1.00	1.00	1.00	1.00	45462.00	1.00	1.00	1.00	1.00	54915.00	1.00	1.00	52438.00	51126.00	29353.00	43821.00	1.00	64368.00	1.00	1.00	1.00	1.00	47761.00	47699.00
2-oxo-tetradecanoic acid	136756.00	143375.00	59089.00	60844.00	83640.00	78982.00	48880.00	148250.00	84810.00	86183.00	116280.00	119048.00	106146.00	102523.00	115660.00	109736.00	70442.00	78891.00	76914.00	75459.00	136164.00	123448.00	172085.00	156110.00
C4 H4 N2 O2	25498.00	25386.00	34214.00	33961.00	39168.00	34737.00	24550.00	23155.00	1.00	1.00	23656.00	21561.00	33385.00	36579.00	26253.00	23187.00	69840.00	30898.00	32196.00	31738.00	30413.00	29235.00	1.00	17862.00
C11 H12 N2 S	1.00	1.00	1.00	1.00	15074.00	14925.00	1.00	1.00	1.00	1.00	16307.00	20000.00	17358.00	15704.00	16767.00	14973.00	93701.00	15422.00	18803.00	18214.00	16336.00	17298.00	26769.00	26719.00
C12 H26 O3	54231.00	53309.00	58242.00	26798.00	48259.00	1.00	61480.00	64026.00	29243.00	54433.00	1.00	70485.00	68770.00	64909.00	70455.00	69610.00	52986.00	59427.00	67663.00	58217.00	21283.00	50460.00	54949.00	25893.00
Asp Asn Asn	12836.00	10869.00	17841.00	17022.00	12001.00	16062.00	22795.00	20460.00	1.00	1.00	21343.00	21089.00	15746.00	16352.00	28260.00	25020.00	54261.00	16597.00	16043.00	16707.00	15571.00	17143.00	11906.00	14837.00
L-Valine Esi+1.4970003	36220.00	28812.00	34562.00	32189.00	35337.00	31113.00	41130.00	47129.00	43367.00	43658.00	48027.00	46269.00	42819.00	48728.00	41583.00	41502.00	41841.00	40222.00	33170.00	35584.00	34432.00	35855.00	42137.00	52538.00
C37 H75 N4 O5	1.00	1.00	1.00	1.00	9308.00	1.00	10134.00	1.00	13185.00	14672.00	1.00	1.00	10666.00	1.00	10939.00	10801.00	1.00	1.00	1.00	1.00	1.00	1.00	44494.00	46571.00
C6 H4 O2	122042.00	108153.00	65322.00	64437.00	76873.00	79697.00	81742.00	74635.00	1.00	1.00	65998.00	76465.00	75323.00	69027.00	89327.00	78660.00	456593.00	80704.00	73463.00	75409.00	82712.00	87344.00	1.00	1.00
C15 H31 N4 O2 S2	1.00	1.00	40726.00	38537.00	16098.00	15332.00	1.00	1.00	14067.00	14306.00	1.00	1.00	19979.00	19709.00	1.00	1.00	18458.00	17801.00	1.00	1.00	1.00	1.00	1.00	1.00
C8 H15 Cl N8	1.00	1.00	30897.00	32598.00	11937.00	11701.00	12652.00	13564.00	17235.00	16507.00	16176.00	15761.00	23831.00	27643.00	11215.00	10238.00	27975.00	32161.00	20693.00	19787.00	1.00	1.00	13639.00	14775.00
Arg Ile Thr	46574.00	41208.00	46086.00	55134.00	15148.00	74815.00	25441.00	28056.00	35570.00	32311.00	69750.00	54707.00	79756.00	78449.00	65616.00	71117.00	20655.00	37518.00	73060.00	67722.00	25403.00	67820.00	67426.00	72710.00
N1,N4-Diacetylsulfanilamide	35583.00	35626.00	30022.00	27647.00	38501.00	40635.00	40684.00	38155.00	46730.00	46727.00	35766.00	37408.00	35817.00	36252.00	34570.00	34034.00	41938.00	39785.00	39368.00	43226.00	35973.00	36847.00	24028.00	25469.00
C11 H18 O3	58379.00	61711.00	37519.00	40405.00	63719.00	59147.00	58306.00	61417.00	40646.00	45573.00	76122.00	73077.00	61118.00	60556.00	73082.00	55165.00	42050.00	48122.00	51609.00	42212.00	57876.00	58913.00	56873.00	58434.00
11-lauroleic acid Esi+1.1469997	150612.00	147826.00	145052.00	44600.00	125045.00	93013.00	61139.00	61438.00	54039.00	37948.00	299846.00	309995.00	109430.00	147885.00	237271.00	44819.00	133033.00	175256.00	39319.00	183833.00	183950.00	171934.00	46971.00	51119.00
l-2-hydroxy-decanoic acid Esi+1.2479998	37327.00	36914.00	47405.00	48431.00	58749.00	54490.00	37161.00	54281.00	45961.00	42395.00	72363.00	76249.00	48883.00	46942.00	57405.00	72772.00	37931.00	41999.00	33310.00	33326.00	49375.00	43387.00	63753.00	60598.00
Dehydro-L-(+)-ascorbic acid dimer	167530.00	164284.00	191538.00	76783.00	34648.00	36150.00	184053.00	183069.00	1.00	1.00	70749.00	46238.00	186772.00	189839.00	43107.00	178418.00	1.00	40177.00	182869.00	36664.00	183688.00	68414.00	147431.00	147108.00
C14 H14 N4	37408.00	33512.00	40928.00	39415.00	31292.00	28056.00	41549.00	41358.00	42263.00	36473.00	53166.00	56709.00	43691.00	50780.00	45532.00	45299.00	25825.00	25542.00	35969.00	33561.00	35487.00	37260.00	35145.00	32352.00
ciclopirox	63448.00	41620.00	50546.00	69422.00	57766.00	63540.00	72395.00	59302.00	62573.00	66162.00	71727.00	69066.00	60961.00	57420.00	65089.00	80526.00	56881.00	73301.00	68659.00	52961.00	52126.00	74548.00	83781.00	50316.00
3-oxo-tridecanoic acid	70309.00	70392.00	56016.00	39557.00	84057.00	75098.00	41725.00	45428.00	37130.00	35631.00	95356.00	92213.00	40221.00	43557.00	85398.00	77868.00	34373.00	31561.00	35260.00	30344.00	55163.00	64186.00	66474.00	65207.00
C40 H66 N11	50903.00	49883.00	1.00	1.00	1.00	1.00	1.00	1.00	45201.00	42943.00	1.00	1.00	15183.00	15672.00	1.00	1.00	12500.00	10425.00	1.00	1.00	1.00	1.00	1.00	1.00
C17 H25 N2	35357.00	37259.00	37681.00	26136.00	36639.00	36363.00	33349.00	41706.00	23926.00	31635.00	29193.00	49308.00	39770.00	28696.00	44638.00	41829.00	28526.00	30952.00	35600.00	36467.00	40098.00	39003.00	38710.00	38131.00
C22 H39 N11 Esi+1.2129999	201858.00	902536.00	1023475.00	938707.00	170119.00	150941.00	808425.00	1089070.00	1450129.00	1441657.00	878289.00	215651.00	568138.00	588139.00	1345659.00	736220.00	229514.00	899568.00	953811.00	904557.00	930180.00	951141.00	534564.00	1050719.00
6,8-Dihydroxypurine	34842.00	33062.00	22021.00	23067.00	30618.00	30622.00	24908.00	26034.00	1.00	1.00	22210.00	25995.00	34225.00	33325.00	28716.00	27248.00	88988.00	47112.00	39250.00	40987.00	24542.00	24561.00	23592.00	23668.00
11-amino-undecanoic acid	21236.00	18226.00	1.00	1.00	12076.00	11544.00	1.00	1.00	44441.00	44873.00	1.00	1.00	26673.00	24465.00	1.00	1.00	14763.00	11790.00	14167.00	14847.00	1.00	1.00	10394.00	10250.00
C19 H38 N6 O6 Esi+5.5789995	110317.00	103428.00	123344.00	120643.00	116404.00	101408.00	91980.00	94835.00	60117.00	57335.00	98590.00	126163.00	124600.00	125722.00	116858.00	97358.00	50534.00	128326.00	108036.00	113750.00	101485.00	96838.00	108727.00	99471.00
C30 H65 N22 O2	50250.00	52599.00	12423.00	1.00	9579.00	9865.00	1.00	1.00	17807.00	19553.00	1.00	1.00	15029.00	13248.00	11621.00	11828.00	17224.00	13780.00	1.00	1.00	1.00	1.00	1.00	1.00
5Z,9Z-Tridecadienyl acetate Esi+1.1340003	96180.00	41327.00	33595.00	38142.00	48404.00	109573.00	44004.00	49084.00	37243.00	34604.00	107646.00	50405.00	93513.00	94845.00	101380.00	42041.00	70180.00	68328.00	25417.00	23146.00	42071.00	37601.00	48380.00	48647.00
Lumichrome	19143.00	19462.00	14583.00	13827.00	22761.00	22079.00	1.00	1.00	1.00	1.00	21682.00	23664.00	28029.00	28594.00	30118.00	28252.00	45479.00	26942.00	34410.00	36777.00	33775.00	33908.00	43630.00	46249.00
2-Dehydro-3-deoxy-L-rhamnonate Esi+2.7559998 :1	944912.00	781673.00	314414.00	147661.00	443120.00	454412.00	589830.00	466188.00	35279.00	66325.00	354946.00	499087.00	435905.00	394022.00	579548.00	401256.00	10500000.00	536993.00	410872.00	440266.00	516508.00	504820.00	1439957.00	1399191.00
C11 H20 N O2 S	15510.00	14256.00	35803.00	35911.00	15495.00	15732.00	11372.00	13767.00	73349.00	77012.00	26314.00	21838.00	42373.00	46460.00	13463.00	12453.00	40652.00	42949.00	33021.00	34236.00	1.00	13444.00	34202.00	34535.00
2-Phenylbutyrolactone Esi+1.1299996	42104.00	43139.00	40672.00	30771.00	22852.00	22409.00	53197.00	47343.00	46406.00	30715.00	54880.00	56729.00	35711.00	57819.00	53251.00	48255.00	20325.00	22792.00	28729.00	29334.00	28275.00	37561.00	29820.00	41812.00
C9 H8 O2	1.00	1.00	10659.00	10131.00	9310.00	1.00	12801.00	11041.00	12876.00	14435.00	16772.00	13889.00	14870.00	15997.00	13640.00	15038.00	1.00	1.00	10241.00	1.00	10949.00	10248.00	12103.00	11284.00
C13 H24 N	65293.00	96712.00	39539.00	66024.00	83028.00	59948.00	64240.00	68156.00	39390.00	45526.00	56512.00	195336.00	59453.00	60305.00	159542.00	162556.00	52889.00	37404.00	41273.00	55574.00	120150.00	122912.00	119604.00	127341.00
C25 H9 N O2	1.00	14583.00	1.00	16791.00	25879.00	54278.00	14165.00	18321.00	1.00	1.00	1.00	16755.00	11810.00	12524.00	13429.00	26858.00	16366.00	12063.00	1.00	13840.00	1.00	13348.00	1.00	1.00
3S-hydroxy-dodecanoic acid Esi+1.3378634	92241.00	66967.00	1.00	1.00	93761.00	141602.00	54218.00	87525.00	25086.00	26575.00	133041.00	130683.00	68058.00	67654.00	124319.00	87628.00	1.00	1.00	1.00	1.00	71250.00	68239.00	76004.00	94569.00
C12 H24 O5 Esi+1.1970003	32489.00	31848.00	16972.00	20403.00	26175.00	33027.00	50714.00	41949.00	183174.00	183353.00	52803.00	58625.00	95864.00	97715.00	35118.00	33934.00	75405.00	80296.00	102652.00	104356.00	35718.00	34674.00	114173.00	115026.00
MID42467:11-(4-acetoxymethylphenyl)-1?,25-dihydroxy-9,11-didehydrovitamin D3 / 11-(4-acetoxymethylph	49312.00	52344.00	56283.00	61427.00	54162.00	56542.00	59009.00	59102.00	27984.00	25128.00	56594.00	57037.00	52801.00	58855.00	49794.00	45693.00	24141.00	55925.00	51857.00	58824.00	58634.00	60688.00	49755.00	52393.00
C10 H21 N7 O6	17515.00	20081.00	34976.00	37838.00	24170.00	23013.00	16389.00	18321.00	1.00	1.00	16992.00	1.00	36012.00	34987.00	41076.00	35995.00	1.00	14111.00	16858.00	16795.00	15442.00	16312.00	14128.00	13271.00
C26 H47 N11 O2	468343.00	491357.00	127625.00	484183.00	207028.00	269486.00	119748.00	119448.00	116684.00	118485.00	119116.00	489594.00	184252.00	520754.00	138411.00	132053.00	511186.00	139358.00	125126.00	133686.00	488817.00	119615.00	131297.00	488478.00
N2-Acetyl-L-aminoadipate Esi+3.2260003	176538.00	160664.00	144843.00	151286.00	168724.00	162469.00	163334.00	141485.00	1.00	1.00	153938.00	196205.00	159007.00	148661.00	164964.00	129732.00	2605274.00	147295.00	155650.00	154247.00	182081.00	177235.00	98130.00	105856.00
C7 H17 N S2	1.00	1.00	1.00	1.00	11098.00	15062.00	1.00	1.00	1.00	1.00	17369.00	22252.00	14658.00	12545.00	12824.00	12725.00	100651.00	12444.00	18169.00	14732.00	1.00	14635.00	17747.00	26481.00
Isopropenylacetic acid	37011.00	45976.00	30138.00	31850.00	43722.00	41678.00	49408.00	51071.00	28893.00	31361.00	58967.00	64040.00	34573.00	31409.00	43883.00	48973.00	26908.00	27774.00	33610.00	27919.00	44718.00	40110.00	51994.00	32756.00
C25 H38 N9 O	29261.00	28694.00	16481.00	19025.00	28247.00	25040.00	36064.00	35725.00	19030.00	20803.00	20432.00	20844.00	24502.00	25694.00	36708.00	33337.00	29443.00	32543.00	26995.00	24799.00	27336.00	25700.00	28481.00	28969.00
NeuAcalpha2-3Galbeta1-4Glcbeta-Cer(d18:1/20:0)	20169.00	20757.00	11469.00	10624.00	19507.00	14037.00	1.00	1.00	38216.00	36572.00	13810.00	14442.00	21053.00	21105.00	16363.00	15998.00	23072.00	26934.00	11701.00	12030.00	16612.00	18792.00	25414.00	25244.00
pentadecan-9-en-1-ol	18483.00	18149.00	19264.00	18822.00	25832.00	24224.00	25513.00	26513.00	36630.00	37034.00	24600.00	24094.00	43626.00	47609.00	27955.00	27956.00	15766.00	29606.00	16027.00	1.00	28907.00	29345.00	30150.00	33968.00
C17 H25 N O2	145093.00	34141.00	1.00	62840.00	95882.00	90097.00	82720.00	54264.00	1.00	1.00	79467.00	53105.00	52117.00	92795.00	1.00	143463.00	1.00	1.00	1.00	66143.00	1.00	51523.00	1.00	1.00
3-Deoxyvitamin D3	32388.00	32067.00	1.00	1.00	1.00	1.00	1.00	1.00	36835.00	31933.00	1.00	1.00	46725.00	25817.00	19120.00	17329.00	9821.00	10336.00	1.00	1.00	1.00	1.00	50036.00	49219.00
C5 H11 N3 Esi+5.4270015	137584.00	141940.00	151097.00	149100.00	187037.00	164485.00	155385.00	134001.00	161881.00	1.00	167597.00	141330.00	184706.00	134954.00	143088.00	177439.00	265777.00	229029.00	150938.00	155309.00	165652.00	170638.00	157041.00	171496.00
8-methoxy-13-hydroxy-9,11-octadecadienoic acid	56520.00	58392.00	52064.00	56887.00	22881.00	23819.00	65123.00	69098.00	32507.00	31682.00	34221.00	33064.00	58558.00	65772.00	75465.00	27142.00	43323.00	49486.00	45669.00	44167.00	63209.00	21032.00	32417.00	32219.00
ICI 164384	41074.00	37945.00	23907.00	25861.00	53067.00	56148.00	49034.00	95737.00	63971.00	60122.00	31752.00	31659.00	60341.00	53289.00	36490.00	34608.00	62536.00	57114.00	32200.00	38559.00	42190.00	37372.00	36115.00	39573.00
C19 H31 N8	11983.00	14421.00	16230.00	15096.00	1.00	1.00	1.00	1.00	27482.00	26425.00	15001.00	13242.00	27069.00	28824.00	1.00	1.00	1.00	31465.00	19009.00	17908.00	1.00	1.00	15721.00	15310.00
C4 H11 N2 O2	47433.00	44125.00	1.00	12011.00	12831.00	15664.00	1.00	1.00	31695.00	30729.00	1.00	11719.00	17883.00	15696.00	23934.00	22403.00	77327.00	12870.00	18691.00	18788.00	1.00	1.00	11037.00	10668.00
C10 H21 N O2	1.00	1.00	1.00	1.00	16169.00	15261.00	1.00	1.00	1.00	1.00	1.00	1.00	42119.00	39304.00	14405.00	12910.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C12 H25 N4 O8 S Esi+2.6720004	67397.00	64188.00	138884.00	141361.00	87233.00	83622.00	94250.00	112413.00	176839.00	188553.00	64966.00	109808.00	168162.00	107131.00	225439.00	123664.00	45774.00	78387.00	84959.00	112724.00	61812.00	62612.00	1.00	1.00
8Z-undecenoic acid Esi+1.038	722851.00	657299.00	972052.00	967380.00	682187.00	650597.00	1198152.00	64086.00	669609.00	686210.00	1077227.00	1069942.00	56153.00	776472.00	951016.00	942267.00	64017.00	71962.00	825808.00	829870.00	79916.00	690734.00	773409.00	785523.00
C5 H11 N3 Esi+5.7860003	39321.00	68314.00	191449.00	88239.00	89324.00	145055.00	80985.00	117585.00	91505.00	202873.00	206653.00	33145.00	86070.00	27416.00	219803.00	127624.00	31384.00	43686.00	251301.00	239232.00	231484.00	212587.00	63437.00	86039.00
C8 H3 N2 O4 S	125957.00	125200.00	138704.00	124202.00	1.00	160679.00	1.00	1.00	1.00	1.00	1.00	1.00	131621.00	1.00	1.00	1.00	1.00	1.00	1.00	161313.00	144093.00	1.00	149305.00	148587.00
C24 H55 N4 O6	22058.00	18344.00	15841.00	15535.00	28201.00	28893.00	16163.00	16564.00	39980.00	32295.00	17602.00	16852.00	25724.00	23486.00	36816.00	35838.00	45203.00	42760.00	20528.00	17919.00	20348.00	18159.00	23364.00	22599.00
C27 H39 N10 O Esi+6.612	532540.00	29225.00	1.00	1.00	1.00	1.00	1.00	1.00	305819.00	32623.00	1.00	1.00	109543.00	108130.00	33272.00	36091.00	141529.00	26670.00	1.00	1.00	1.00	1.00	1.00	1.00
C18 H43 N4 O3	1.00	1.00	23603.00	22809.00	14866.00	21603.00	1.00	1.00	11671.00	14757.00	1.00	1.00	13784.00	1.00	43509.00	41689.00	28096.00	25959.00	1.00	1.00	1.00	1.00	1.00	13577.00
?-Glutamyl-?-aminopropiononitrile Esi+2.6430006	69292.00	58806.00	61806.00	62017.00	74374.00	69172.00	86440.00	74853.00	1.00	1.00	64473.00	76537.00	69771.00	64066.00	85794.00	69451.00	457845.00	76728.00	76207.00	71022.00	74862.00	73568.00	32374.00	91571.00
C31 H61 N18 O	55477.00	58430.00	1.00	1.00	81357.00	81051.00	47640.00	47306.00	83560.00	82140.00	43477.00	42021.00	77449.00	70049.00	58217.00	54558.00	80574.00	83314.00	49842.00	53539.00	60052.00	58299.00	47865.00	46735.00
(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate	29245.00	30070.00	28843.00	30763.00	43534.00	39559.00	33136.00	36068.00	1.00	1.00	34748.00	35473.00	34111.00	36482.00	31691.00	34692.00	44161.00	34932.00	32153.00	37151.00	41229.00	40891.00	32088.00	24952.00
C23 H45 N4 O5 Esi+1.2129998	198091.00	1.00	1373325.00	1.00	139817.00	490201.00	1351103.00	790080.00	1117357.00	501578.00	1.00	764623.00	65338.00	67919.00	227535.00	1348776.00	291357.00	830620.00	197170.00	1.00	710620.00	725797.00	756345.00	815071.00
4alpha-formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol Esi+1.0879998	149152.00	145314.00	35669.00	36006.00	20416.00	1.00	1.00	16536.00	80741.00	82587.00	20735.00	21242.00	41489.00	39078.00	24037.00	30411.00	26539.00	31559.00	1.00	15476.00	15834.00	18234.00	21936.00	20699.00
C35 H73 N11 O4 S	34059.00	35522.00	1.00	1.00	1.00	1.00	1.00	1.00	24695.00	21356.00	1.00	1.00	15872.00	13279.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C32 H63 N18 O2	108784.00	30254.00	106072.00	110613.00	122462.00	112668.00	109107.00	113086.00	128938.00	122422.00	105562.00	18032.00	45495.00	111249.00	110722.00	35886.00	107959.00	122906.00	108813.00	18774.00	107237.00	107806.00	111349.00	23726.00
Heptanoic acid	37660.00	36726.00	36141.00	42547.00	50866.00	38210.00	35235.00	35933.00	34338.00	31362.00	55922.00	57703.00	34051.00	38263.00	43728.00	42211.00	31674.00	36095.00	34075.00	31101.00	40026.00	21385.00	52183.00	39410.00
C8 H17 N O6 Esi+6.382002	170389.00	142641.00	76477.00	74615.00	77168.00	76336.00	61984.00	51152.00	1.00	1.00	91728.00	118564.00	107877.00	97744.00	123933.00	83691.00	7327146.00	85774.00	113717.00	109313.00	91005.00	82995.00	82419.00	85747.00
Acetone cyanohydrin Esi+5.758001	1.00	44284.00	37636.00	42998.00	33844.00	38366.00	36803.00	41795.00	71516.00	74779.00	57120.00	45844.00	56245.00	40716.00	26056.00	54125.00	1.00	43081.00	37557.00	48930.00	39769.00	66939.00	40652.00	47630.00
C23 H47 N8 O	16958.00	15641.00	15491.00	14532.00	26307.00	28635.00	14854.00	15333.00	36266.00	37591.00	18755.00	26671.00	22967.00	24051.00	46040.00	46629.00	43816.00	42598.00	18154.00	20672.00	19400.00	15990.00	21069.00	23879.00
C44 H56 N O14	21743.00	21689.00	18554.00	17697.00	33009.00	32028.00	20107.00	19986.00	37171.00	35857.00	20171.00	21072.00	26956.00	26620.00	18387.00	20591.00	28600.00	42498.00	23492.00	22927.00	33545.00	32714.00	26902.00	25176.00
C11 H23 N O	1.00	1.00	31079.00	21932.00	20050.00	18895.00	21458.00	22822.00	26077.00	23047.00	27995.00	28875.00	35172.00	39230.00	33347.00	30440.00	25205.00	20026.00	21259.00	26258.00	49504.00	39952.00	49727.00	42480.00
C23 H54 N16 O5	141862.00	195851.00	131463.00	155892.00	138678.00	163812.00	105378.00	137801.00	97392.00	98764.00	78198.00	126277.00	198562.00	137626.00	92546.00	154338.00	142299.00	138023.00	139264.00	131132.00	165316.00	150540.00	135956.00	152502.00
C16 H30 O2	1.00	1.00	1.00	1.00	23888.00	24797.00	1.00	1.00	16125.00	17723.00	59196.00	53006.00	25478.00	30124.00	33000.00	32658.00	1.00	1.00	1.00	1.00	19275.00	19349.00	26625.00	27626.00
2,4,7-tridecatrienal	32542.00	34594.00	40284.00	37506.00	41915.00	25623.00	33554.00	34399.00	29709.00	32070.00	53349.00	50441.00	41973.00	41948.00	30771.00	50731.00	28051.00	34224.00	32460.00	31610.00	40600.00	19652.00	42790.00	46671.00
C9 H19 N O	25639.00	24397.00	18458.00	20149.00	34095.00	30615.00	37084.00	39145.00	18336.00	16875.00	35036.00	33894.00	15971.00	18335.00	36612.00	36572.00	14218.00	13092.00	10488.00	10376.00	30242.00	29686.00	12611.00	14139.00
C15 H23 Cl N O4	1.00	1.00	27369.00	29163.00	48854.00	45708.00	1.00	1.00	1.00	1.00	1.00	1.00	24656.00	24540.00	50634.00	48168.00	58856.00	50939.00	21842.00	20606.00	31870.00	31355.00	1.00	1.00
C27 H47 N3 O6	43375.00	44306.00	1.00	1.00	1.00	1.00	1.00	1.00	30905.00	29003.00	1.00	1.00	11809.00	1.00	1.00	1.00	21667.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C4 H11 N O Esi+5.460999	53376.00	51817.00	1.00	1.00	1.00	34083.00	51724.00	58940.00	45254.00	32196.00	1.00	50307.00	52882.00	1.00	65115.00	29737.00	1.00	47503.00	54089.00	52429.00	46570.00	1.00	72683.00	46911.00
C16 H35 N O Esi+1.1499997	19258.00	29416.00	1.00	1.00	33223.00	31077.00	22567.00	17624.00	1.00	1.00	51096.00	57820.00	34721.00	24384.00	25283.00	26958.00	18044.00	1.00	23767.00	1.00	17920.00	28984.00	38846.00	20510.00
C16 H29 N O2	15154.00	14290.00	1.00	1.00	1.00	15332.00	1.00	1.00	38412.00	42723.00	25614.00	41629.00	28822.00	22029.00	27259.00	28223.00	1.00	1.00	17123.00	17208.00	25403.00	24509.00	23479.00	27598.00
C36 H67 N11 O7	282185.00	336530.00	284132.00	377640.00	344582.00	235814.00	355536.00	293806.00	191468.00	196061.00	339041.00	325379.00	194306.00	286732.00	332266.00	180233.00	270753.00	250308.00	331755.00	314667.00	125692.00	365044.00	475022.00	417551.00
C7 H16 N5	32383.00	35269.00	30767.00	27599.00	1.00	1.00	39091.00	40284.00	26330.00	28758.00	1.00	1.00	38641.00	41871.00	32179.00	25958.00	23066.00	29110.00	25656.00	22234.00	22951.00	25890.00	29138.00	31631.00
C51 H107 N3 O3 S2	17852.00	18496.00	1.00	1.00	1.00	1.00	1.00	1.00	32401.00	31764.00	1.00	1.00	25389.00	22989.00	28753.00	26045.00	1.00	1.00	1.00	1.00	1.00	1.00	40099.00	38875.00
C36 H43 N O6	11585.00	9677.00	1.00	1.00	1.00	1.00	15803.00	20073.00	1.00	1.00	1.00	1.00	41806.00	42741.00	22138.00	11818.00	1.00	1.00	19595.00	15375.00	1.00	1.00	18507.00	1.00
C15 H16 O4	27474.00	25667.00	18690.00	18047.00	23418.00	22456.00	37748.00	37118.00	12179.00	10757.00	34098.00	32088.00	11820.00	1.00	41668.00	38440.00	1.00	1.00	1.00	1.00	25809.00	23622.00	1.00	1.00
C12 H20 O3	136195.00	74069.00	65303.00	67588.00	65866.00	66013.00	135160.00	74370.00	57274.00	1.00	142811.00	149302.00	62533.00	60793.00	151541.00	36303.00	1.00	58104.00	59665.00	1.00	137626.00	137157.00	66255.00	105468.00
Soraphen A	35639.00	35977.00	31073.00	29192.00	27156.00	28658.00	31418.00	28607.00	23623.00	23207.00	27723.00	28628.00	29533.00	30105.00	31858.00	30483.00	36401.00	30011.00	30711.00	28617.00	28377.00	27675.00	27464.00	25046.00
C23 H49 N4 O3	1.00	1.00	10228.00	13965.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	17621.00	18201.00	1.00	1.00	43874.00	38244.00	1.00	1.00	12324.00	1.00	41585.00	42868.00
C31 H26 N O7	31139.00	32052.00	13933.00	12225.00	18098.00	14871.00	10574.00	11664.00	40108.00	41838.00	12485.00	12726.00	29633.00	31703.00	18422.00	19230.00	29726.00	28768.00	13891.00	13569.00	19583.00	20620.00	25094.00	24291.00
C7 H10 Esi+1.0949998	66322.00	71106.00	30787.00	28192.00	82932.00	74338.00	65310.00	65429.00	59765.00	58366.00	99100.00	99738.00	97694.00	44661.00	84843.00	54170.00	41190.00	103321.00	77130.00	78865.00	74651.00	77043.00	79887.00	81897.00
Pirbuterol Esi+8.238999	134862.00	129049.00	118534.00	120581.00	111025.00	113635.00	119098.00	102026.00	1.00	1.00	95051.00	121183.00	121328.00	105687.00	152578.00	125316.00	846208.00	122802.00	107804.00	112863.00	138146.00	128119.00	84061.00	81037.00
2-oxo-dodecanoic acid Esi+1.2369996	74755.00	77259.00	54392.00	54403.00	97735.00	112043.00	64688.00	68087.00	57108.00	57866.00	119213.00	120749.00	65605.00	72072.00	95475.00	101871.00	49526.00	60967.00	61081.00	55205.00	85858.00	87121.00	84171.00	92427.00
C25 H39 N10 O2	35460.00	35268.00	1.00	1.00	17181.00	14989.00	1.00	1.00	1.00	1.00	1.00	1.00	31689.00	31541.00	18407.00	15962.00	1.00	11839.00	1.00	1.00	20928.00	19860.00	1.00	1.00
MGDG(18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	32699.00	33367.00	26505.00	28348.00	28680.00	28941.00	23223.00	23108.00	31715.00	30614.00	23480.00	25491.00	25775.00	26615.00	25729.00	24437.00	29211.00	40680.00	30293.00	30558.00	30415.00	30072.00	27801.00	24752.00
C15 H24 N	38329.00	36936.00	19683.00	23150.00	37481.00	84366.00	42956.00	29796.00	24519.00	24471.00	131988.00	55570.00	41111.00	41091.00	44787.00	42896.00	23122.00	23917.00	19069.00	19847.00	33839.00	47632.00	49581.00	36282.00
N,N-Diethylphenylacetamide	28787.00	27031.00	30915.00	30328.00	21802.00	24732.00	31203.00	33469.00	45767.00	41070.00	35098.00	35302.00	40605.00	38409.00	34902.00	28624.00	31555.00	29791.00	34380.00	31675.00	41589.00	36970.00	53017.00	51762.00
Obtusilic acid Esi+1.149 :1	77602.00	70865.00	30057.00	28233.00	65393.00	17739.00	83258.00	86036.00	68744.00	15124.00	163546.00	33690.00	89718.00	95153.00	111210.00	112087.00	17563.00	21316.00	72471.00	11722.00	86881.00	86954.00	95478.00	12027.00
Pivalic acid	79181.00	51536.00	15124.00	64312.00	29183.00	29880.00	26545.00	32881.00	19926.00	22086.00	44060.00	36177.00	49914.00	25371.00	32243.00	31108.00	1.00	24923.00	19634.00	44168.00	31441.00	32501.00	54235.00	27129.00
4-oxo capric acid	41512.00	40164.00	1.00	25835.00	44560.00	46619.00	39661.00	42914.00	35839.00	31115.00	66472.00	60485.00	41705.00	39423.00	60507.00	60133.00	27690.00	34463.00	38137.00	35838.00	48103.00	48517.00	44108.00	46313.00
C32 H61 N O3 S	22598.00	21221.00	13344.00	19417.00	30227.00	28295.00	19793.00	17297.00	38504.00	41523.00	16114.00	17975.00	30200.00	27220.00	35176.00	32693.00	42204.00	45350.00	22590.00	20633.00	26335.00	20240.00	25881.00	25192.00
C10 H14 N4 O	109963.00	105401.00	61212.00	66643.00	106253.00	109508.00	87733.00	123108.00	56518.00	50410.00	76486.00	117465.00	52597.00	83445.00	93171.00	1.00	71470.00	112830.00	116946.00	78383.00	96201.00	98010.00	77414.00	81844.00
C17 H24 N7 O	1.00	1.00	35355.00	36280.00	16752.00	1.00	1.00	1.00	10039.00	13211.00	1.00	1.00	14871.00	17423.00	1.00	1.00	18590.00	17573.00	1.00	1.00	1.00	1.00	1.00	1.00
C14 H16 N3 O17	167790.00	1.00	195545.00	196478.00	200236.00	199379.00	198702.00	72291.00	1.00	1.00	194214.00	201212.00	204634.00	198109.00	80423.00	193645.00	1.00	196102.00	73195.00	73320.00	200458.00	40659.00	1.00	159733.00
C16 H31 N4 O	1.00	1.00	29058.00	1.00	16732.00	20907.00	16258.00	15636.00	15207.00	17933.00	27795.00	32820.00	18659.00	16816.00	21309.00	15509.00	1.00	11356.00	30586.00	28569.00	1.00	1.00	1.00	1.00
C11 H18 O2	75351.00	70143.00	58514.00	69143.00	33550.00	82395.00	70438.00	71518.00	51520.00	50434.00	119869.00	104234.00	71493.00	75625.00	93091.00	103455.00	58173.00	59796.00	66636.00	65763.00	87817.00	81324.00	85063.00	76081.00
C6 H8	36966.00	1.00	31303.00	29515.00	43735.00	34539.00	25643.00	37177.00	26202.00	1.00	60901.00	58283.00	31609.00	28463.00	77109.00	52259.00	32141.00	42200.00	15098.00	1.00	17485.00	19789.00	45548.00	47553.00
Pentanoylcarnitine	23586.00	24092.00	12276.00	11841.00	13584.00	12873.00	13162.00	11290.00	1.00	1.00	11189.00	12018.00	14222.00	13888.00	28203.00	25327.00	39399.00	21393.00	18714.00	19312.00	11822.00	10767.00	10566.00	11919.00
B-Octylglucoside	46817.00	40913.00	45417.00	45398.00	29829.00	31622.00	58043.00	35450.00	35496.00	25877.00	49809.00	45918.00	68374.00	14524.00	19491.00	59299.00	28540.00	29003.00	31173.00	35562.00	48651.00	43107.00	37720.00	41152.00
C19 H33 N5 O7	764276.00	752916.00	586023.00	586693.00	647183.00	627082.00	1176404.00	1132978.00	720219.00	711316.00	513337.00	503909.00	669689.00	668506.00	524546.00	510034.00	796427.00	813203.00	624661.00	606675.00	691451.00	682369.00	625942.00	626320.00
C12 H26 O4	55184.00	49592.00	46084.00	49344.00	48445.00	51818.00	55624.00	57649.00	38278.00	35911.00	69547.00	66138.00	41903.00	43879.00	53598.00	58178.00	36281.00	35365.00	32056.00	32274.00	49156.00	55301.00	47834.00	45678.00
C21 H44 Cl N3 O3	16335.00	16703.00	22336.00	22269.00	23451.00	22496.00	20520.00	21716.00	13930.00	16179.00	33095.00	31965.00	27830.00	28147.00	24645.00	21791.00	29200.00	29974.00	27692.00	28678.00	39209.00	37391.00	41853.00	39702.00
C20 H35 N2	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	39311.00	37491.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C14 H21 N8 O2	1.00	1.00	36124.00	31716.00	24131.00	27758.00	1.00	1.00	23074.00	22361.00	1.00	1.00	24731.00	26021.00	1.00	1.00	16580.00	23217.00	1.00	1.00	1.00	1.00	1.00	1.00
C22 H44 O6	36630.00	33602.00	28192.00	24451.00	42979.00	42264.00	26453.00	26915.00	51360.00	58643.00	48424.00	35134.00	31886.00	36291.00	33288.00	35969.00	37979.00	43418.00	33344.00	29707.00	42936.00	41099.00	42923.00	43061.00
C14 H31 N Esi+4.2239995	82557.00	1.00	79253.00	85360.00	71988.00	80253.00	65865.00	1.00	1.00	50355.00	75014.00	1.00	76663.00	79453.00	1.00	74194.00	138871.00	74155.00	122531.00	80922.00	1.00	79224.00	124269.00	61194.00
C24 H47 N4 O6	18515.00	14278.00	1.00	11576.00	28888.00	43234.00	16119.00	27193.00	1.00	14514.00	18773.00	14360.00	15434.00	13865.00	1.00	13240.00	27888.00	12607.00	14179.00	17814.00	19064.00	1.00	13247.00	13675.00
C20 H40 N3 O3	213325.00	232412.00	206831.00	214024.00	219135.00	25484.00	12408.00	25098.00	13868.00	181029.00	236102.00	237566.00	214237.00	210485.00	175857.00	173613.00	25606.00	191597.00	220695.00	298486.00	19454.00	214895.00	23950.00	232464.00
C6 H6 N2 O3	17064.00	18084.00	15324.00	15230.00	16543.00	16728.00	14271.00	13495.00	1.00	1.00	12992.00	16808.00	17362.00	16692.00	15208.00	15979.00	44699.00	15861.00	14760.00	15720.00	19166.00	17668.00	1.00	1.00
C30 H63 N11 O5 Esi+1.8300008	78676.00	77581.00	51184.00	46536.00	99376.00	101340.00	73642.00	69307.00	107091.00	104689.00	54210.00	54321.00	102935.00	95563.00	72728.00	69965.00	1.00	104726.00	46927.00	68294.00	75711.00	73927.00	64765.00	65755.00
Sundiversifolide	56904.00	44453.00	35076.00	35894.00	50745.00	57011.00	34898.00	42474.00	35718.00	30150.00	80286.00	84072.00	45727.00	36613.00	60668.00	63954.00	26721.00	35976.00	32304.00	34166.00	51796.00	53253.00	55855.00	55580.00
C12 H18	29088.00	32262.00	49985.00	50551.00	49389.00	48303.00	41398.00	30745.00	21680.00	20813.00	44710.00	46029.00	32277.00	35011.00	46124.00	46168.00	31389.00	34316.00	31212.00	30775.00	46326.00	39879.00	41566.00	34753.00
C13 H27 O4	1.00	1.00	1.00	1.00	20267.00	18393.00	1.00	1.00	19505.00	18635.00	16940.00	1.00	20177.00	21221.00	40634.00	42157.00	16570.00	25112.00	1.00	1.00	1.00	1.00	20306.00	21106.00
2-methyl-undecanoic acid	27892.00	35700.00	55347.00	49487.00	48224.00	30410.00	48238.00	53455.00	43065.00	41218.00	49310.00	70313.00	47906.00	51255.00	39280.00	47892.00	51318.00	54419.00	40265.00	40658.00	33345.00	26321.00	51986.00	49428.00
C4 H8	11113.00	11301.00	17134.00	17294.00	13204.00	11643.00	21350.00	21703.00	13141.00	11728.00	19783.00	20171.00	14975.00	19969.00	18120.00	16872.00	1.00	1.00	14958.00	16782.00	12583.00	13930.00	15076.00	14496.00
N-isovalerylglycine	16666.00	13803.00	19649.00	20560.00	26818.00	27715.00	30477.00	27170.00	1.00	1.00	20175.00	18954.00	24356.00	25151.00	27084.00	24621.00	38779.00	19700.00	27049.00	27587.00	36462.00	35125.00	16265.00	16354.00
C18 H46 N20 O Esi+1.254	82679.00	400022.00	76058.00	410219.00	72763.00	77615.00	69668.00	403011.00	75450.00	71630.00	68280.00	392692.00	401765.00	392919.00	77787.00	70776.00	80884.00	77762.00	69969.00	408989.00	405523.00	403134.00	406560.00	76629.00
C13 H16 N7 O	20408.00	24602.00	41869.00	37466.00	28927.00	23392.00	24959.00	27626.00	28422.00	23373.00	19110.00	20944.00	36778.00	39285.00	21052.00	24394.00	33398.00	39993.00	46772.00	45514.00	24535.00	21709.00	19053.00	21362.00
Triphenylene	36341.00	34937.00	30159.00	32071.00	34929.00	33107.00	27911.00	25128.00	1.00	1.00	25964.00	27977.00	32209.00	31844.00	29314.00	26136.00	90327.00	25284.00	31290.00	28372.00	32483.00	29211.00	22748.00	22051.00
MG(18:1(9Z)/0:0/0:0)	28052.00	28902.00	23775.00	22377.00	38404.00	35567.00	22703.00	23768.00	28922.00	33409.00	31829.00	29634.00	28723.00	27285.00	37459.00	35780.00	24858.00	26607.00	27893.00	26242.00	37287.00	37093.00	46904.00	43507.00
C28 H63 N28	43791.00	43101.00	1.00	1.00	1.00	1.00	1.00	1.00	16831.00	18230.00	1.00	1.00	13650.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C29 H57 N18 O	92554.00	58699.00	1.00	41367.00	67982.00	24334.00	28466.00	1.00	1.00	1.00	64085.00	48083.00	408171.00	1.00	31033.00	29596.00	67286.00	56003.00	58489.00	27891.00	66494.00	1.00	27240.00	1.00
(-)-Kanshone A	49700.00	45645.00	45471.00	51130.00	82979.00	38550.00	67726.00	61520.00	56114.00	35472.00	102083.00	103259.00	67709.00	74734.00	87293.00	92807.00	51478.00	52587.00	49001.00	53823.00	68041.00	65213.00	84188.00	79200.00
C-6 Ceramide Esi+1.0569997	441765.00	443647.00	66081.00	93127.00	209045.00	194499.00	60204.00	40223.00	706883.00	729021.00	90724.00	100850.00	205658.00	81486.00	454677.00	99191.00	70814.00	419944.00	84888.00	1065910.00	83735.00	80045.00	1027334.00	91452.00
C12 H23 N Esi+4.126	1.00	1.00	1.00	1.00	1.00	92320.00	123515.00	123051.00	166212.00	1.00	108715.00	97435.00	99898.00	88719.00	103509.00	115816.00	87575.00	1.00	1.00	109933.00	77693.00	54434.00	1.00	54828.00
C19 H25 N13 O11	31290.00	16940.00	21932.00	22580.00	35235.00	106582.00	14513.00	16649.00	29750.00	30129.00	26752.00	27739.00	59883.00	45899.00	39200.00	37162.00	39165.00	39536.00	11655.00	28435.00	37063.00	33634.00	45135.00	45175.00
C12 H23 N4 O8	24560.00	21733.00	25336.00	25993.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	25767.00	23638.00	37522.00	25671.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C8 H15 N3 O Esi+4.592	57184.00	65203.00	1.00	44701.00	1.00	1.00	50209.00	55450.00	33199.00	45597.00	59310.00	57342.00	55212.00	69030.00	1.00	49358.00	1.00	59396.00	57438.00	58304.00	1.00	1.00	59947.00	1.00
C23 H47 N O5	42561.00	40952.00	46664.00	45930.00	42988.00	48749.00	31976.00	38929.00	44384.00	43574.00	55851.00	58344.00	37032.00	38953.00	58456.00	55097.00	43749.00	45264.00	46687.00	42481.00	49861.00	45750.00	55612.00	57991.00
C53 H33 N5 O2	29575.00	30698.00	32908.00	30245.00	28855.00	22584.00	39849.00	36046.00	37481.00	33827.00	40626.00	39748.00	31281.00	34643.00	32209.00	28996.00	26651.00	26870.00	30701.00	31836.00	28914.00	29534.00	36352.00	36590.00
?-Hexalactone Esi+1.163 :1	90062.00	75527.00	58318.00	49560.00	54746.00	60878.00	59317.00	51593.00	114268.00	112342.00	135957.00	142408.00	70742.00	82245.00	76909.00	64346.00	68489.00	89416.00	90551.00	83426.00	88761.00	84915.00	97460.00	100901.00
Eudesobovatol A Esi+5.5729985	91882.00	72048.00	89085.00	91593.00	93453.00	76396.00	93593.00	85028.00	40808.00	42075.00	89168.00	86191.00	96229.00	83906.00	106637.00	101436.00	42910.00	88289.00	88714.00	87862.00	91806.00	97401.00	73265.00	86731.00
C11 H6 N O5 S Esi+1.2029995	53196.00	50790.00	61958.00	47293.00	52933.00	45052.00	129780.00	52610.00	50032.00	57719.00	121212.00	52148.00	53625.00	49256.00	55067.00	53008.00	129089.00	44187.00	120958.00	131207.00	80216.00	49764.00	55916.00	190670.00
C26 H55 N11 O3	29726.00	62491.00	42165.00	24179.00	86250.00	49294.00	99483.00	100928.00	62002.00	58768.00	44833.00	46931.00	94466.00	26353.00	61952.00	58441.00	68691.00	58684.00	32392.00	36541.00	70538.00	38741.00	42468.00	35758.00
5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide	21357.00	19540.00	23292.00	23714.00	33902.00	33630.00	28297.00	22099.00	1.00	1.00	28235.00	36837.00	18704.00	16809.00	21316.00	15132.00	1.00	35752.00	23446.00	23821.00	34192.00	32386.00	14592.00	13455.00
3-hexenal Esi+1.6549999	50958.00	53786.00	45816.00	42549.00	63329.00	57498.00	53467.00	65557.00	23938.00	26180.00	72059.00	66343.00	40904.00	43329.00	62935.00	60633.00	49504.00	40582.00	44767.00	44574.00	60566.00	70583.00	51374.00	48576.00
4-Aminophenyl 1-thio-?-D-glucuronide	24219.00	22481.00	26124.00	26504.00	27761.00	28002.00	27744.00	28979.00	1.00	1.00	31272.00	31353.00	24424.00	24454.00	18713.00	22123.00	1.00	20274.00	24645.00	27727.00	25793.00	27182.00	35388.00	36880.00
C17 H26 N7 O9 S	20136.00	22044.00	19302.00	21861.00	34147.00	36750.00	21833.00	20216.00	1.00	1.00	27928.00	29406.00	25703.00	24412.00	30230.00	25246.00	15460.00	31668.00	31589.00	31761.00	31865.00	31952.00	35833.00	32044.00
D-Glucosyldihydrosphingosine	21764.00	25310.00	30710.00	30672.00	31642.00	30118.00	43893.00	41054.00	21839.00	29278.00	34934.00	35035.00	40034.00	32407.00	37104.00	32766.00	24423.00	24394.00	23674.00	24758.00	30042.00	29794.00	33654.00	35573.00
C16 H30 N6	48383.00	46399.00	36107.00	35532.00	41336.00	41690.00	46586.00	57234.00	26995.00	28442.00	52548.00	55545.00	32797.00	30293.00	49994.00	46256.00	1.00	1.00	29410.00	30863.00	43240.00	37916.00	17577.00	32709.00
Leonurine	20411.00	19124.00	9404.00	9882.00	21806.00	20446.00	21198.00	21856.00	18078.00	18375.00	1.00	1.00	17779.00	16172.00	13129.00	11222.00	15973.00	19883.00	1.00	1.00	14057.00	16614.00	19798.00	19715.00
C10 H20 O2	29982.00	24887.00	29584.00	37141.00	36230.00	31850.00	25675.00	32384.00	23872.00	23832.00	68654.00	64197.00	31337.00	35484.00	25238.00	28832.00	29922.00	28141.00	31310.00	24570.00	30550.00	41586.00	30971.00	39019.00
2-Phenylethanol glucuronide	103539.00	48524.00	113406.00	106759.00	119647.00	103909.00	120665.00	127670.00	1.00	1.00	108528.00	131697.00	131067.00	107067.00	113790.00	95893.00	1.00	112364.00	132114.00	112381.00	180800.00	125173.00	27486.00	47854.00
C16 H24 N	1.00	1.00	1.00	1.00	30191.00	1.00	1.00	1.00	46074.00	55031.00	84940.00	41101.00	46549.00	43282.00	70529.00	76629.00	36494.00	38025.00	36893.00	45528.00	58718.00	58275.00	68085.00	68239.00
C6 H14 O5	1.00	1.00	1.00	12765.00	14844.00	19928.00	32160.00	27515.00	1.00	1.00	30353.00	47526.00	16783.00	1.00	1.00	1.00	1.00	31684.00	16835.00	14678.00	40266.00	35612.00	1.00	1.00
C42 H82 O9	34724.00	33178.00	35712.00	36973.00	27603.00	25530.00	15349.00	15667.00	16283.00	17037.00	14229.00	11612.00	25658.00	25190.00	32728.00	32747.00	28937.00	29296.00	19911.00	18723.00	18876.00	18621.00	20487.00	20583.00
C23 H53 N4 O6 Esi+1.2380003	33923.00	52055.00	38032.00	26674.00	53455.00	53605.00	128837.00	126726.00	58683.00	58016.00	36212.00	31138.00	49714.00	51225.00	32423.00	31620.00	60951.00	55155.00	45698.00	35420.00	37717.00	32554.00	36600.00	32403.00
C21 H43 N9 O4	1.00	1.00	1.00	72872.00	1.00	36350.00	1.00	1.00	1.00	121721.00	1.00	1.00	115568.00	94158.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C6 H12 N2 O5	19299.00	1.00	1.00	14746.00	25500.00	23285.00	14914.00	1.00	1.00	1.00	35075.00	45053.00	26215.00	26184.00	18497.00	1.00	78571.00	27240.00	30336.00	30019.00	33849.00	35946.00	31334.00	30864.00
C28 H59 N11 O4 Esi+1.6520003	46496.00	50622.00	49350.00	49047.00	100461.00	64813.00	81039.00	85804.00	66133.00	73009.00	54070.00	54084.00	109936.00	98916.00	76145.00	45120.00	34645.00	67233.00	37742.00	66563.00	78150.00	45691.00	62425.00	63224.00
C13 H24 O4	36481.00	28947.00	21301.00	25980.00	39296.00	34290.00	28375.00	29288.00	22819.00	21655.00	45677.00	44762.00	32706.00	23995.00	36857.00	36838.00	26816.00	25261.00	22431.00	21835.00	36798.00	36241.00	30748.00	30121.00
5Z,9Z-Tridecadienyl acetate Esi+1.1970003	28773.00	79069.00	50181.00	49523.00	105456.00	100058.00	72068.00	78337.00	30723.00	51618.00	87570.00	102835.00	58171.00	86152.00	94074.00	54237.00	24440.00	52887.00	19626.00	26710.00	77892.00	72292.00	88342.00	97911.00
C24 H51 N11 O2	1.00	1.00	1.00	1.00	1.00	1.00	32279.00	28691.00	1.00	20173.00	1.00	1.00	20502.00	18451.00	1.00	1.00	1.00	19719.00	1.00	1.00	1.00	1.00	1.00	1.00
C9 H13 N	1.00	13453.00	44663.00	1.00	38027.00	32097.00	1.00	1.00	1.00	1.00	1.00	90311.00	51452.00	35083.00	35705.00	76118.00	1.00	51666.00	35693.00	14355.00	40702.00	48573.00	1.00	1.00
4Z-tetradecenoic acid Esi+1.0760001	1.00	71357.00	24122.00	25779.00	32639.00	32741.00	28091.00	17899.00	15067.00	14428.00	33491.00	1.00	24141.00	20067.00	25927.00	25568.00	21608.00	19078.00	15193.00	16247.00	15775.00	12126.00	22931.00	23613.00
5-Methylthio-D-ribose	36662.00	33336.00	26280.00	27087.00	30897.00	28866.00	23900.00	26092.00	1.00	1.00	26163.00	20937.00	25455.00	24990.00	24653.00	21809.00	1.00	22813.00	29181.00	28522.00	30256.00	32517.00	1.00	13390.00
24-hydroxy-10Z-tetracosenoic acid	23960.00	32488.00	1.00	1.00	21314.00	20740.00	23730.00	55477.00	13588.00	23353.00	54993.00	61524.00	51302.00	26853.00	40248.00	41402.00	64136.00	21467.00	20564.00	29495.00	40068.00	37074.00	37548.00	36373.00
C16 H34 O3	30438.00	24896.00	42176.00	34601.00	34359.00	27876.00	33358.00	20207.00	34557.00	31305.00	55025.00	29270.00	43179.00	42558.00	55135.00	39765.00	23788.00	32830.00	16646.00	23183.00	30134.00	26105.00	29353.00	31657.00
C26 H47 N4 O3	145314.00	117903.00	172669.00	1.00	161718.00	153741.00	168896.00	178388.00	1.00	1.00	162530.00	104608.00	157280.00	129932.00	161623.00	1.00	1.00	160350.00	172169.00	162094.00	174228.00	169074.00	104112.00	141706.00
C13 H21 N8 O2 Esi+0.84199995	1.00	143189.00	151547.00	149965.00	133508.00	11143.00	143605.00	143467.00	141492.00	1.00	26903.00	1.00	13474.00	136945.00	139067.00	137588.00	138242.00	127423.00	134159.00	1.00	136771.00	131287.00	1.00	10718.00
C30 H59 N18 O	39508.00	39290.00	1.00	1.00	52368.00	52101.00	1.00	1.00	55078.00	51399.00	1.00	1.00	46287.00	43925.00	47930.00	46250.00	60404.00	63562.00	1.00	1.00	40408.00	38832.00	1.00	1.00
C19 H20 N6 O2	47599.00	45297.00	45101.00	46853.00	43753.00	44474.00	1.00	36713.00	1.00	1.00	1.00	42395.00	53899.00	48346.00	58962.00	44505.00	63266.00	1.00	37225.00	1.00	1.00	34507.00	1.00	1.00
C10 H26 N8	34396.00	43197.00	28075.00	27495.00	77677.00	19488.00	28687.00	31858.00	23246.00	23218.00	49206.00	19483.00	46776.00	41532.00	39500.00	47300.00	32111.00	1.00	1.00	25961.00	25311.00	10293.00	41862.00	34533.00
Prohydrojasmon	45798.00	40896.00	54445.00	42316.00	34246.00	30833.00	30880.00	27943.00	30403.00	47655.00	46260.00	81553.00	57671.00	43621.00	40381.00	37561.00	36420.00	55653.00	26894.00	29295.00	31630.00	32130.00	39760.00	61962.00
3-Methylcytosine Esi+4.1839986	140238.00	139554.00	98691.00	101564.00	20180.00	81584.00	18836.00	18450.00	1.00	1.00	131144.00	141028.00	119117.00	109760.00	98766.00	90657.00	1152912.00	85086.00	133769.00	131778.00	115885.00	103749.00	13036.00	35708.00
C34 H63 N11 O6	420321.00	257865.00	430325.00	459392.00	527746.00	482899.00	484881.00	417346.00	1.00	1.00	473518.00	466630.00	491123.00	458901.00	290516.00	409541.00	1.00	341282.00	426341.00	483688.00	1.00	263351.00	459363.00	433215.00
C21 H22 N2 O14	1.00	1.00	1.00	1.00	1.00	13190.00	1.00	1.00	1.00	1.00	1.00	16648.00	14512.00	13804.00	14141.00	13114.00	56181.00	14418.00	15370.00	15865.00	15677.00	13212.00	15776.00	16785.00
C13 H25 N O3 Esi+1.2420002	88721.00	65583.00	63796.00	67361.00	69626.00	67727.00	67418.00	70884.00	80792.00	79774.00	50460.00	55712.00	66838.00	64237.00	91344.00	88697.00	77927.00	62769.00	88895.00	81169.00	73611.00	70387.00	78107.00	70853.00
C12 H36 N10 O4	1.00	1.00	171567.00	111404.00	101899.00	115410.00	152239.00	50486.00	1.00	1.00	1.00	1.00	55649.00	1.00	20752.00	92096.00	1.00	135286.00	39323.00	1.00	96064.00	1.00	59255.00	1.00
C31 H69 N4 O11 Esi+1.247	292477.00	293225.00	52840.00	294345.00	49499.00	54463.00	52031.00	53290.00	64417.00	67424.00	290025.00	277091.00	302893.00	289508.00	57864.00	47465.00	290024.00	299479.00	278575.00	59188.00	290393.00	56748.00	296344.00	59695.00
Diethyl Oxalpropionate	21683.00	14633.00	21088.00	27672.00	18801.00	73531.00	23781.00	20336.00	23050.00	21244.00	44656.00	34959.00	32314.00	19620.00	26907.00	42900.00	14630.00	25724.00	25141.00	30836.00	30212.00	22482.00	24227.00	19462.00
2(1H)-Quinolinone Esi+1.403	66116.00	16377.00	17789.00	16815.00	23266.00	23173.00	17180.00	16133.00	1.00	1.00	19201.00	19488.00	101658.00	29262.00	30138.00	32462.00	48630.00	15588.00	28456.00	29429.00	19134.00	16363.00	20588.00	19267.00
CAY10621 Esi+0.9080003	67940.00	137917.00	39286.00	133084.00	95269.00	140486.00	143949.00	90710.00	44936.00	96057.00	142847.00	160596.00	97404.00	138924.00	250755.00	133510.00	91062.00	131630.00	141007.00	142076.00	69680.00	135738.00	82468.00	73288.00
C26 H47 N4 O3 Esi+0.9090003	112714.00	88511.00	69481.00	115441.00	54215.00	113616.00	81051.00	86976.00	70780.00	106211.00	93962.00	86371.00	109457.00	74286.00	112063.00	111608.00	113239.00	105713.00	114179.00	118480.00	112202.00	114966.00	112233.00	115885.00
14R-hydroxy-11Z-eicosenoic acid	28104.00	23982.00	21532.00	20653.00	30407.00	29980.00	26456.00	24564.00	1.00	1.00	36836.00	40388.00	22432.00	18431.00	37249.00	39153.00	1.00	1.00	13382.00	1.00	30355.00	26819.00	28232.00	26164.00
C6 H16 N7 O4	18797.00	20153.00	27147.00	27272.00	19553.00	21126.00	27846.00	23954.00	1.00	1.00	23318.00	24428.00	26099.00	23058.00	34764.00	36063.00	1.00	23132.00	24733.00	1.00	28291.00	26217.00	1.00	27109.00
C30 H55 N11 O4	44665.00	1.00	91181.00	91038.00	72650.00	42572.00	25031.00	1.00	1.00	1.00	83738.00	85488.00	38881.00	42285.00	29203.00	78151.00	32616.00	68132.00	28408.00	29854.00	81960.00	1.00	91992.00	91308.00
C60 H61 N10 O4	17036.00	17524.00	1.00	1.00	10286.00	1.00	1.00	1.00	32256.00	33857.00	1.00	1.00	22653.00	20403.00	8950.00	9674.00	12808.00	21706.00	1.00	1.00	18434.00	19158.00	18230.00	17608.00
10-hydroxy-undecanoic acid	80781.00	77487.00	82056.00	81242.00	127169.00	91566.00	78536.00	82374.00	86637.00	82810.00	105780.00	106290.00	91206.00	89077.00	95311.00	91076.00	69324.00	71705.00	85860.00	88215.00	93211.00	92994.00	78947.00	83605.00
Hymenoxon	35214.00	35130.00	41640.00	43288.00	28746.00	30917.00	30665.00	30384.00	26028.00	27592.00	31378.00	31515.00	30948.00	28106.00	39317.00	38404.00	29051.00	33710.00	28068.00	29365.00	35840.00	35675.00	23901.00	23625.00
Tromethamine	13002.00	14588.00	9927.00	9930.00	14393.00	15208.00	16526.00	14790.00	19222.00	18114.00	11504.00	17234.00	10258.00	17842.00	22897.00	18577.00	31633.00	16327.00	13291.00	11755.00	14672.00	18308.00	20919.00	16211.00
His Pro	20229.00	19302.00	14581.00	14035.00	32231.00	30474.00	20875.00	20092.00	27211.00	28610.00	24062.00	26693.00	19494.00	19543.00	23518.00	21903.00	34942.00	16549.00	12144.00	13454.00	17390.00	17172.00	12944.00	16481.00
C18 H19 N5 O5	122188.00	58385.00	138884.00	141361.00	37064.00	36342.00	41104.00	112413.00	117982.00	128835.00	22852.00	38568.00	168162.00	47831.00	225439.00	54677.00	166735.00	38548.00	32162.00	112724.00	30319.00	30262.00	492758.00	471463.00
10-Lauroleic acid	162980.00	166000.00	161645.00	114871.00	104493.00	89879.00	28236.00	67241.00	145763.00	148144.00	302744.00	377562.00	114974.00	185993.00	252162.00	42869.00	141874.00	217287.00	147905.00	151961.00	191841.00	191635.00	207162.00	221601.00
C40 H79 N4 O2	33326.00	32787.00	1.00	1.00	1.00	1.00	1.00	1.00	32780.00	34950.00	1.00	1.00	16410.00	15779.00	12184.00	12075.00	1.00	9776.00	1.00	1.00	1.00	1.00	1.00	1.00
3-Deoxyvitamin D3 Esi+1.0170001	42525.00	44088.00	1.00	1.00	1.00	1.00	1.00	1.00	29105.00	33905.00	1.00	1.00	46725.00	17509.00	19120.00	17329.00	11420.00	11908.00	1.00	1.00	1.00	1.00	50036.00	49219.00
Nitrothal-isopropyl Esi+2.0800002	23893.00	21763.00	24483.00	27541.00	13392.00	11953.00	14937.00	14729.00	1.00	1.00	13789.00	15068.00	26283.00	26701.00	33625.00	32963.00	1.00	1.00	14261.00	11276.00	1.00	1.00	15758.00	18287.00
C12 H22 O2 Esi+1.258	142004.00	142721.00	1.00	1.00	142891.00	1.00	123056.00	1.00	136923.00	165686.00	1.00	1.00	142950.00	89194.00	1.00	1.00	1.00	110598.00	102072.00	1.00	1.00	141867.00	1.00	1.00
Dicyclohexylamine Esi+4.324999	254795.00	163992.00	42771.00	168585.00	130740.00	132442.00	131718.00	129064.00	25243.00	303225.00	132661.00	135203.00	148378.00	165949.00	137746.00	31058.00	216141.00	130912.00	236031.00	137272.00	79634.00	130763.00	355495.00	116000.00
Dopamine	34927.00	21793.00	1.00	14624.00	25541.00	22747.00	30746.00	17699.00	16743.00	1.00	35416.00	22030.00	24604.00	31614.00	31332.00	28195.00	1.00	1.00	14165.00	22838.00	23200.00	26768.00	31965.00	32357.00
Bisindolylmaleimide I	26146.00	24457.00	1.00	1.00	22346.00	19630.00	17587.00	22891.00	33388.00	34025.00	16467.00	13686.00	26900.00	22513.00	16271.00	17819.00	23915.00	26746.00	1.00	1.00	19225.00	19598.00	19285.00	18291.00
N-Acetylmannosamine	77530.00	73855.00	62191.00	39594.00	78617.00	78773.00	84373.00	65595.00	1.00	1.00	76697.00	109392.00	69707.00	66350.00	75166.00	52658.00	1189294.00	74709.00	76266.00	75559.00	90528.00	91674.00	45050.00	47851.00
C18 H35 N4 O	1.00	1.00	15061.00	14925.00	17603.00	20016.00	19009.00	21794.00	1.00	21293.00	26029.00	22543.00	17987.00	17408.00	28537.00	22368.00	1.00	21272.00	22131.00	18147.00	20628.00	19969.00	1.00	1.00
C26 H47 N4 O3 Esi+1.9270009	126043.00	182317.00	256790.00	250881.00	132250.00	99550.00	45594.00	104228.00	66321.00	29053.00	36633.00	64470.00	223413.00	127831.00	245478.00	93539.00	252915.00	234411.00	162627.00	158822.00	224873.00	96049.00	255918.00	93128.00
Vitamin E succinate(tocopherol succinate)	17539.00	20023.00	16641.00	16580.00	26337.00	26181.00	18515.00	20055.00	26142.00	28537.00	21759.00	19516.00	28593.00	27356.00	20514.00	22371.00	31308.00	31646.00	17361.00	17126.00	22316.00	21959.00	22021.00	20856.00
5-Hydroxymethyl-2-furaldehyde Esi+2.7589998	85012.00	68012.00	24719.00	1.00	200169.00	221503.00	25553.00	21549.00	1.00	1.00	31903.00	24524.00	34035.00	29223.00	49464.00	179560.00	927524.00	227129.00	31348.00	191701.00	40714.00	38083.00	136586.00	134207.00
C23 H47 N11	19402.00	19133.00	18084.00	19750.00	18585.00	16904.00	12858.00	12536.00	20814.00	22366.00	14396.00	13574.00	18704.00	19317.00	15265.00	15261.00	27904.00	22747.00	18601.00	18868.00	21580.00	20545.00	27380.00	26853.00
C7 H17 N O3	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	27641.00	29468.00	14630.00	15414.00	32585.00	35292.00	1.00	1.00	29323.00	16610.00	1.00	1.00	14713.00	1.00	18862.00	15997.00
Hypolaetin 8,3',4'-trimethyl ether	20014.00	19393.00	21294.00	22705.00	19039.00	32004.00	17559.00	17147.00	1.00	10812.00	12473.00	13905.00	13076.00	12721.00	13179.00	14859.00	16848.00	20035.00	22243.00	20342.00	20763.00	19528.00	13033.00	12945.00
7-octenoic acid	32381.00	38203.00	36830.00	24658.00	55459.00	57563.00	44241.00	42389.00	42425.00	43502.00	46542.00	87930.00	40755.00	45934.00	54069.00	65591.00	22032.00	29750.00	25319.00	29854.00	39029.00	42329.00	50116.00	45324.00
C8 H14 N2 O6	15378.00	12702.00	13038.00	13095.00	18684.00	19913.00	25558.00	18085.00	1.00	1.00	19973.00	32583.00	13832.00	1.00	15925.00	1.00	1.00	23700.00	20658.00	18766.00	29128.00	29254.00	1.00	1.00
C8 H15 N3 O Esi+5.0779996	1.00	1.00	57200.00	1.00	166803.00	53230.00	55193.00	1.00	35453.00	149522.00	209268.00	54096.00	148617.00	1.00	187352.00	1.00	69860.00	1.00	1.00	1.00	168098.00	1.00	55929.00	1.00
C31 H38 N	18625.00	17231.00	1.00	14025.00	1.00	1.00	23210.00	18215.00	21390.00	92205.00	1.00	1.00	21923.00	23039.00	27409.00	125293.00	115124.00	1.00	1.00	1.00	1.00	12915.00	16188.00	1.00
C26 H55 N11 O3 Esi+1.5428461	34598.00	62350.00	42165.00	23924.00	86250.00	33590.00	99483.00	100928.00	33900.00	35799.00	44833.00	46595.00	95143.00	61270.00	61970.00	58441.00	1.00	34042.00	19988.00	22553.00	70538.00	20758.00	21164.00	19830.00
C13 H18	1.00	1.00	1.00	1.00	12564.00	20865.00	1.00	1.00	1.00	1.00	1.00	1.00	14178.00	20983.00	13323.00	12363.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C20 H47 N4 O11	22428.00	15386.00	1.00	48762.00	39617.00	51387.00	46386.00	52738.00	49691.00	49981.00	58527.00	54181.00	52388.00	30283.00	55316.00	38705.00	66220.00	54259.00	52603.00	16293.00	51874.00	1.00	30340.00	46925.00
L-2-Aminoadipic acid	134818.00	123695.00	84989.00	83035.00	90532.00	96343.00	102527.00	92214.00	1.00	1.00	74073.00	87733.00	99987.00	88799.00	119465.00	101145.00	486778.00	108736.00	94796.00	92653.00	95176.00	90983.00	59130.00	55129.00
C24 H37 N O S	1.00	1.00	44626.00	52309.00	38320.00	34063.00	1.00	48963.00	21673.00	27081.00	1.00	38739.00	33086.00	33967.00	1.00	1.00	28797.00	28763.00	1.00	1.00	1.00	1.00	1.00	1.00
C16 H13 N3 O	15500.00	15787.00	25216.00	27031.00	26490.00	27187.00	27113.00	23246.00	1.00	1.00	26353.00	34562.00	29362.00	21367.00	33685.00	23412.00	1.00	26762.00	21277.00	19830.00	33397.00	34720.00	1.00	13102.00
C10 H20 O2 Esi+1.1550002	1.00	75973.00	124099.00	152275.00	142835.00	111370.00	41820.00	84283.00	56505.00	79651.00	159706.00	87866.00	115383.00	78804.00	164787.00	125009.00	79045.00	65678.00	58954.00	116048.00	157993.00	64292.00	125375.00	84076.00
C9 H14 N3 O4 S	18082.00	15436.00	18916.00	19795.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	24215.00	22026.00	34202.00	26080.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C18 H46 N20 O Esi+1.5289998	64611.00	81990.00	41494.00	61713.00	1.00	74372.00	1.00	79648.00	1.00	1.00	1.00	64898.00	89116.00	556796.00	1.00	41504.00	69856.00	89870.00	1.00	80361.00	81002.00	88739.00	198405.00	1.00
C27 H44 N O3	32960.00	41128.00	33224.00	38348.00	49897.00	49431.00	34745.00	33777.00	48437.00	48556.00	43296.00	41651.00	39950.00	33295.00	42796.00	38437.00	36135.00	36905.00	33605.00	29914.00	36791.00	35718.00	50807.00	46822.00
C12 H24 O8	14943.00	15133.00	1.00	1.00	30115.00	25596.00	14004.00	14381.00	32500.00	32183.00	13731.00	15449.00	20384.00	22853.00	16377.00	18531.00	28613.00	17722.00	15310.00	15172.00	14426.00	1.00	14129.00	15015.00
9-undecynoic acid Esi+1.243	73894.00	70616.00	69810.00	64285.00	111924.00	107607.00	88762.00	89851.00	61662.00	65399.00	133859.00	129088.00	113927.00	109374.00	126138.00	128494.00	56168.00	58282.00	62554.00	66143.00	89550.00	78917.00	76936.00	73530.00
C4 H10 N2 O Esi+5.761001	1.00	56711.00	39958.00	35081.00	34629.00	36956.00	31362.00	42993.00	63159.00	63086.00	35787.00	1.00	39874.00	41096.00	39079.00	31468.00	1.00	43195.00	1.00	1.00	37002.00	37916.00	43754.00	44188.00
C19 H14 N4 O	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10830.00	11664.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C14 H32 N3 O3	17400.00	18586.00	17128.00	12262.00	20298.00	22855.00	21722.00	19962.00	16071.00	14115.00	35024.00	29363.00	29746.00	27125.00	27262.00	30604.00	1.00	1.00	1.00	1.00	20762.00	22115.00	23474.00	21044.00
C37 H56 N20	30202.00	28977.00	26234.00	26044.00	33381.00	31702.00	22285.00	22377.00	28050.00	28991.00	20140.00	20946.00	29168.00	30960.00	26255.00	26724.00	32571.00	32522.00	22963.00	23435.00	27170.00	25112.00	22734.00	23354.00
Dibutyl succinate	52529.00	52125.00	52425.00	52987.00	65535.00	55229.00	50617.00	51315.00	25944.00	38377.00	77217.00	75679.00	26391.00	51123.00	64561.00	65297.00	48081.00	62422.00	43074.00	50980.00	60383.00	58287.00	53484.00	32223.00
Monocrotaline Esi+3.1309998	120850.00	112812.00	85511.00	81799.00	86560.00	85050.00	115178.00	90986.00	1.00	1.00	90210.00	114939.00	76884.00	69876.00	94683.00	68895.00	1.00	72656.00	89624.00	92346.00	101341.00	96312.00	54415.00	55626.00
C12 H26 O3 Esi+1.0820003	57039.00	55397.00	81092.00	34749.00	51861.00	46846.00	64761.00	68727.00	63381.00	57654.00	141597.00	77217.00	73070.00	70124.00	75966.00	73489.00	55585.00	62278.00	71477.00	61344.00	31603.00	54103.00	108162.00	57785.00
C38 H79 N	1.00	1.00	1.00	30813.00	43453.00	23216.00	1.00	1.00	1.00	1.00	29684.00	32175.00	40997.00	1.00	38402.00	29465.00	1.00	31042.00	1.00	32260.00	1.00	31778.00	1.00	1.00
3-tert-Butyl-5-methylcatechol	36838.00	54378.00	34576.00	19862.00	53847.00	70024.00	28829.00	39608.00	1.00	1.00	53612.00	51916.00	43258.00	28256.00	34718.00	48887.00	46027.00	56009.00	30773.00	21904.00	37875.00	37723.00	39813.00	38699.00
4-Heptyloxyphenol Esi+1.3269998	28523.00	31217.00	35626.00	14243.00	15466.00	16173.00	14828.00	12116.00	13907.00	62936.00	30927.00	30692.00	16436.00	17579.00	18339.00	19832.00	32122.00	30000.00	15038.00	16508.00	15817.00	39475.00	13651.00	13335.00
Phe Gln His	79357.00	76803.00	57366.00	53528.00	104752.00	98147.00	83335.00	84578.00	100188.00	97801.00	62847.00	67407.00	87312.00	85796.00	71899.00	73222.00	86314.00	107466.00	74911.00	72412.00	90002.00	90430.00	76820.00	81312.00
Acetone cyanohydrin Esi+1.6430004	46570.00	37331.00	31429.00	25872.00	24806.00	46420.00	70797.00	57303.00	15888.00	16322.00	33565.00	30829.00	30822.00	25900.00	47509.00	57079.00	38735.00	25098.00	42424.00	39068.00	30100.00	26800.00	38615.00	57084.00
C5 H11 N3 Esi+5.7899995	36930.00	34666.00	74804.00	83675.00	90015.00	126587.00	80426.00	125643.00	61441.00	128789.00	88346.00	67093.00	89906.00	16202.00	84068.00	81314.00	34787.00	39000.00	88149.00	92140.00	131135.00	125825.00	63437.00	87991.00
C5 H13 N O3	25963.00	26658.00	1.00	18915.00	33757.00	33468.00	29516.00	27332.00	1.00	1.00	22425.00	25762.00	19510.00	20628.00	26455.00	20585.00	28157.00	1.00	1.00	1.00	27581.00	26165.00	1.00	1.00
4-Oxomytiloxanthin	13117.00	11926.00	1.00	1.00	9638.00	1.00	1.00	1.00	25553.00	25503.00	1.00	1.00	13796.00	14115.00	1.00	1.00	15271.00	15808.00	1.00	1.00	12396.00	11084.00	13810.00	14827.00
C26 H54 O5	1.00	1.00	1.00	1.00	18731.00	17592.00	18380.00	19573.00	1958966.00	1985694.00	21195.00	23201.00	12051.00	10567.00	1.00	1.00	1.00	9970.00	1.00	1.00	1.00	1.00	1.00	1.00
Nepetalactone trans-cis-form	42649.00	20785.00	40823.00	22181.00	38683.00	47403.00	1.00	62014.00	1.00	1.00	69424.00	72419.00	57141.00	38422.00	23000.00	47624.00	44760.00	59765.00	14387.00	20756.00	38840.00	25127.00	56315.00	62381.00
C4 H10 O3	1.00	15341.00	40146.00	38344.00	15521.00	21586.00	1.00	1.00	21283.00	20979.00	1.00	1.00	35607.00	33147.00	1.00	1.00	33067.00	28193.00	23638.00	15086.00	1.00	1.00	1.00	18731.00
C22 H23 N5	1.00	1.00	1.00	1.00	1.00	1.00	13097.00	1.00	1.00	1.00	13781.00	13090.00	27431.00	17154.00	1.00	1.00	1.00	1.00	10191.00	1.00	1.00	1.00	1.00	1.00
Obtusilic acid Esi+1.1550003	77602.00	70865.00	36454.00	39227.00	65672.00	73387.00	83252.00	87467.00	53482.00	36524.00	163833.00	123989.00	89718.00	95153.00	110435.00	112087.00	30006.00	32414.00	72793.00	35146.00	87473.00	86887.00	95848.00	85932.00
(S)-ACPA	1.00	1.00	1.00	13609.00	18799.00	18502.00	17546.00	14880.00	1.00	1.00	38545.00	53263.00	22410.00	20382.00	14879.00	1.00	1.00	30354.00	29103.00	25259.00	35062.00	35579.00	30681.00	30008.00
C18 H39 N4	23126.00	27375.00	22146.00	20609.00	1.00	1.00	1.00	1.00	20467.00	19263.00	1.00	1.00	19244.00	25002.00	1.00	1.00	1.00	15926.00	1.00	1.00	1.00	1.00	1.00	1.00
C15 H27 N O11	1.00	1.00	9061.00	1.00	1.00	1.00	12575.00	12705.00	1.00	1.00	12350.00	11622.00	9997.00	1.00	14668.00	13363.00	29042.00	10153.00	9795.00	10270.00	9449.00	11359.00	1.00	9685.00
Fucalpha1-2Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0)	15753.00	15990.00	9284.00	8529.00	10841.00	1.00	1.00	1.00	23872.00	25673.00	1.00	1.00	14126.00	14468.00	11914.00	11497.00	15351.00	15810.00	1.00	1.00	12807.00	12640.00	16998.00	16912.00
ICI 164384 Esi+1.247	41074.00	37945.00	23907.00	25791.00	53014.00	56148.00	41497.00	94713.00	63971.00	59230.00	31541.00	31659.00	60341.00	54128.00	37501.00	34608.00	62536.00	57114.00	32200.00	38586.00	42250.00	37372.00	35934.00	39535.00
Phe Leu Glu	19256.00	17639.00	15953.00	1.00	19670.00	17668.00	1.00	15723.00	13763.00	12097.00	16447.00	1.00	16409.00	16413.00	11402.00	12223.00	16967.00	20096.00	25446.00	25944.00	20382.00	33305.00	18821.00	1.00
C38 H83 N13 O3	29467.00	31686.00	14631.00	14178.00	1.00	1.00	10335.00	1.00	13794.00	15202.00	10786.00	1.00	13266.00	13567.00	14102.00	13958.00	14249.00	1.00	10529.00	10136.00	1.00	1.00	1.00	1.00
C23 H45 N4 O5 Esi+1.2129998 :1	194516.00	176060.00	1.00	180999.00	134830.00	125230.00	229552.00	785580.00	490155.00	499956.00	162473.00	760845.00	60740.00	450117.00	231110.00	175695.00	178635.00	822811.00	1360250.00	738319.00	787123.00	739783.00	753907.00	811983.00
C19 H33 N2 O3	113353.00	116128.00	35892.00	46414.00	27347.00	124514.00	99345.00	115171.00	36825.00	52237.00	116866.00	109813.00	22211.00	36755.00	49816.00	120937.00	25137.00	16380.00	90121.00	24055.00	112274.00	125310.00	123603.00	118281.00
Mephenesin	34591.00	30347.00	28273.00	24906.00	35793.00	32534.00	31917.00	33791.00	1.00	1.00	39601.00	41403.00	31669.00	32911.00	38469.00	37917.00	30756.00	26095.00	30415.00	1.00	36616.00	32249.00	34185.00	29616.00
(3R)-3-isopropenyl-6-oxoheptanoic acid	31571.00	37186.00	57144.00	46656.00	41741.00	40801.00	44178.00	66334.00	17450.00	49590.00	64566.00	68234.00	43796.00	41703.00	57123.00	70617.00	63425.00	43602.00	57425.00	56735.00	62601.00	69861.00	48335.00	21142.00
C21 H12 N5 O2	12677.00	15699.00	13681.00	15021.00	13558.00	12658.00	1.00	13690.00	1.00	1.00	1.00	1.00	12961.00	11658.00	28702.00	31768.00	1.00	15215.00	12933.00	15481.00	1.00	1.00	1.00	1.00
C9 H16 O Esi+1.1310003	1.00	32724.00	1.00	1.00	36661.00	35995.00	1.00	28498.00	1.00	1.00	52451.00	55333.00	34856.00	35475.00	45042.00	43268.00	1.00	31158.00	31545.00	35981.00	31678.00	36306.00	38735.00	39899.00
C10 H18 N5 O5 S	1.00	1.00	1.00	1.00	15193.00	14194.00	1.00	1.00	1.00	1.00	12700.00	14534.00	23301.00	22422.00	39380.00	22779.00	43513.00	1.00	1.00	1.00	1.00	1.00	17389.00	19894.00
C16 H30 O3	1.00	16701.00	1.00	1.00	84131.00	71126.00	1.00	1.00	27737.00	30343.00	37144.00	33788.00	33407.00	30543.00	25899.00	21520.00	1.00	1.00	1.00	1.00	19497.00	28573.00	23618.00	35939.00
DMPO Esi+4.397001	1.00	1.00	30718.00	39408.00	37218.00	23353.00	25797.00	18247.00	20474.00	26605.00	10351.00	24149.00	20645.00	19687.00	18960.00	23899.00	23800.00	17673.00	29267.00	21404.00	1.00	1.00	19474.00	13657.00
1-(2-(allyloxy)phenoxy)-3-(isopropylamino)propan-2-ol	12622.00	14494.00	12269.00	21038.00	12397.00	12739.00	14713.00	13433.00	16407.00	13953.00	1.00	1.00	13695.00	20634.00	26716.00	18496.00	15426.00	14494.00	18983.00	25778.00	15227.00	14351.00	20259.00	14528.00
1-(2-Pyrimidyl)piperazine Esi+1.3989998	16322.00	16681.00	29790.00	28827.00	17623.00	17540.00	22241.00	23656.00	19796.00	24678.00	22749.00	24628.00	23230.00	24710.00	17861.00	20019.00	29112.00	27042.00	23179.00	24164.00	19260.00	19199.00	23749.00	21854.00
Furfural diethyl acetal	1.00	1.00	38738.00	34393.00	1.00	1.00	1.00	1.00	24226.00	25020.00	27213.00	26305.00	26182.00	26468.00	1.00	1.00	33496.00	33552.00	27193.00	26395.00	1.00	1.00	21548.00	21501.00
Dihydrojasmonic Acid, Methyl Ester Esi+1.1270003	51157.00	51191.00	55807.00	58385.00	72844.00	75594.00	54346.00	49751.00	62609.00	64266.00	93365.00	93769.00	90017.00	93060.00	98501.00	93543.00	68167.00	78478.00	73389.00	71103.00	135773.00	122046.00	156914.00	138794.00
C14 H26 O2	66140.00	66127.00	17563.00	21465.00	101871.00	28375.00	21622.00	23207.00	14356.00	14339.00	27013.00	135035.00	21045.00	18162.00	22210.00	22059.00	20212.00	18406.00	15424.00	15995.00	15867.00	12755.00	22054.00	20805.00
D-Biotin	11816.00	1.00	14900.00	15696.00	17271.00	15755.00	20276.00	18384.00	1.00	1.00	14661.00	13737.00	29063.00	28554.00	12685.00	12298.00	1.00	14816.00	22417.00	20747.00	12851.00	13957.00	1.00	1.00
2-methyl-tridecanedioic acid	57656.00	55645.00	43339.00	37906.00	66309.00	31309.00	33111.00	61522.00	19131.00	40545.00	126819.00	113828.00	66512.00	61996.00	94817.00	81031.00	32894.00	57363.00	1.00	1.00	65264.00	57186.00	70562.00	81245.00
C9 H14	50189.00	51296.00	68876.00	72505.00	53891.00	22718.00	24257.00	62902.00	45033.00	40908.00	73169.00	74492.00	51851.00	1.00	64651.00	70123.00	49547.00	49099.00	47174.00	44414.00	65708.00	66603.00	46601.00	55927.00
Pelargonyl acetic acid	36831.00	39600.00	42922.00	45491.00	60533.00	41675.00	58583.00	35984.00	28327.00	41476.00	87417.00	82148.00	31935.00	46698.00	76237.00	72240.00	41579.00	34241.00	42478.00	43103.00	61421.00	54267.00	52933.00	61936.00
C23 H49 N11 O	14621.00	13592.00	1.00	1.00	16062.00	19885.00	1.00	1.00	25186.00	25656.00	10281.00	1.00	21419.00	19439.00	16110.00	17133.00	30220.00	31766.00	1.00	1.00	13055.00	1.00	1.00	14306.00
Fibrin	30699.00	34069.00	1.00	16735.00	19466.00	20478.00	24544.00	21271.00	33596.00	32623.00	19050.00	16005.00	16416.00	19197.00	26311.00	25652.00	67743.00	23506.00	19042.00	19542.00	19225.00	18983.00	19310.00	18735.00
Epoxybergamottin Esi+9.576003	232820.00	185099.00	160485.00	144029.00	190457.00	186075.00	156810.00	112920.00	1.00	1.00	101673.00	118534.00	135317.00	141667.00	228531.00	168571.00	4747697.00	272591.00	164702.00	192491.00	190677.00	134624.00	143893.00	174730.00
C5 H10	1.00	1.00	26705.00	15248.00	1.00	1.00	20638.00	22012.00	1.00	1.00	29737.00	28814.00	26793.00	26388.00	50212.00	1.00	1.00	1.00	1.00	1.00	12456.00	14165.00	20355.00	14888.00
C12 H20 O3 Esi+1.3220003	1.00	54478.00	77476.00	78460.00	123107.00	128904.00	113231.00	37120.00	45183.00	61511.00	1.00	40462.00	46767.00	123760.00	63279.00	69447.00	78973.00	62295.00	62642.00	68208.00	33789.00	1.00	57068.00	29390.00
2,6-Diethylaniline Esi+2.78272	75314.00	81587.00	28313.00	70894.00	61703.00	38727.00	59010.00	94928.00	1.00	1.00	104243.00	108575.00	95872.00	73883.00	58048.00	48010.00	1.00	57101.00	47513.00	100754.00	61525.00	93537.00	54458.00	62158.00
Aureothin	13035.00	11657.00	14428.00	15250.00	16621.00	15492.00	16659.00	14957.00	27515.00	27703.00	17807.00	16737.00	17562.00	16370.00	14739.00	14337.00	1.00	16574.00	14900.00	14505.00	16062.00	17247.00	27612.00	27709.00
C14 H5 N2 O4	19135.00	18756.00	10604.00	11312.00	15615.00	17951.00	19409.00	20104.00	1.00	1.00	12433.00	12890.00	16464.00	16115.00	20605.00	15965.00	29089.00	21431.00	18511.00	17891.00	17132.00	15323.00	12047.00	10582.00
4-oxo capric acid Esi+1.4069998	18893.00	21721.00	21591.00	21151.00	29720.00	27718.00	28382.00	23716.00	1.00	1.00	35592.00	37421.00	17745.00	18709.00	33503.00	26691.00	19231.00	18682.00	16358.00	17242.00	26082.00	27035.00	20950.00	23099.00
C27 H46 N3 O	102619.00	102908.00	39560.00	41331.00	38999.00	40977.00	42627.00	40414.00	67687.00	68541.00	63749.00	61453.00	49666.00	52883.00	48403.00	51260.00	32749.00	39144.00	27864.00	26521.00	35023.00	34685.00	40388.00	41803.00
7-nonynoic acid Esi+1.2739999	84152.00	97636.00	65654.00	81385.00	136720.00	196107.00	148375.00	147601.00	94864.00	73047.00	139525.00	138404.00	155639.00	241931.00	128933.00	146615.00	62195.00	66089.00	104735.00	103318.00	107115.00	104065.00	82817.00	89774.00
Bis (2-hydroxypropyl) amine Esi+5.6999984 :1	62763.00	35957.00	59545.00	54903.00	71017.00	54916.00	36820.00	80810.00	40354.00	86120.00	43965.00	31464.00	16388.00	80748.00	39155.00	38724.00	25866.00	65525.00	60182.00	34410.00	75639.00	74114.00	40529.00	19282.00
C47 H29 N O	32335.00	32503.00	32435.00	32026.00	27359.00	21597.00	26100.00	24863.00	25501.00	26427.00	38811.00	39378.00	26607.00	24724.00	25416.00	26762.00	27328.00	29903.00	35218.00	37435.00	30887.00	30260.00	28850.00	33212.00
C40 H80 N8	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	9403.00	1.00	1.00	1.00	12939.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C11 H25 N O	17744.00	17605.00	14031.00	15264.00	20758.00	19898.00	27322.00	25674.00	1.00	1.00	20446.00	20720.00	11649.00	11123.00	27945.00	25589.00	1.00	1.00	1.00	1.00	18234.00	17079.00	1.00	1.00
2-Hydroxy-5-methyl-cis,cis-muconic semialdehyde	33210.00	21058.00	19550.00	28840.00	25257.00	30246.00	21820.00	26365.00	18888.00	22155.00	29290.00	41928.00	18341.00	19187.00	22845.00	21003.00	15938.00	20067.00	23996.00	30796.00	22130.00	24003.00	21811.00	38787.00
C28 H50 S	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	20928.00	18296.00	1.00	1.00	28160.00	30786.00	1.00	15717.00	27373.00	26644.00	1.00	1.00	1.00	1.00	1.00	1.00
C6 H6 O3 Esi+2.854	32464.00	33344.00	25702.00	1.00	1.00	1.00	19821.00	1.00	1.00	1.00	1.00	16437.00	33970.00	24246.00	32726.00	15258.00	1.00	19162.00	26247.00	1.00	25485.00	25728.00	140321.00	134805.00
C7 H6	27190.00	24464.00	24101.00	18194.00	22721.00	22138.00	26424.00	26264.00	23677.00	26287.00	13976.00	39977.00	20954.00	22622.00	18269.00	17601.00	19774.00	25716.00	20072.00	16528.00	22451.00	22002.00	23041.00	21905.00
C45 H67 N8 O5	1.00	1.00	1.00	1.00	9251.00	9143.00	1.00	1.00	9576.00	1.00	1.00	8969.00	13738.00	14477.00	11961.00	11629.00	9960.00	14518.00	10215.00	10609.00	25343.00	20388.00	27428.00	24260.00
L-Valine Esi+6.5299993 :1	118965.00	96696.00	54741.00	108876.00	108189.00	83920.00	65620.00	85652.00	95597.00	81306.00	105730.00	105542.00	84620.00	71179.00	102482.00	1.00	277650.00	98192.00	75517.00	100277.00	79883.00	84866.00	87310.00	89507.00
S-(p-Azidophenacyl)glutathione	12469.00	16408.00	22712.00	24184.00	23422.00	21140.00	18063.00	16745.00	1.00	1.00	16135.00	18826.00	22776.00	24026.00	1.00	18679.00	1.00	1.00	15665.00	18255.00	11208.00	10292.00	35730.00	30931.00
E-64	11222.00	12643.00	1.00	1.00	25417.00	20820.00	1.00	1.00	27089.00	27052.00	1.00	1.00	16323.00	16988.00	1.00	15407.00	18974.00	13943.00	1.00	12252.00	1.00	1.00	1.00	1.00
3-Acetamidopropanal Esi+1.5639997	20798.00	22320.00	26228.00	28369.00	29727.00	29135.00	28781.00	30137.00	1.00	1.00	23365.00	21727.00	34363.00	33622.00	31008.00	32499.00	32043.00	28112.00	22257.00	23434.00	28727.00	28730.00	16006.00	16214.00
2-oxo-docosanoic acid	95489.00	108592.00	103646.00	10968.00	16524.00	13413.00	21348.00	18736.00	53916.00	16231.00	126658.00	113333.00	51726.00	13653.00	20063.00	44890.00	19051.00	33513.00	15861.00	13612.00	25553.00	14369.00	16903.00	8001.00
C11 H25 N7 O	40373.00	47498.00	49425.00	30031.00	28108.00	30695.00	47864.00	25079.00	43290.00	49873.00	61311.00	60800.00	27545.00	37930.00	40915.00	65121.00	36156.00	40580.00	49576.00	48592.00	24751.00	25048.00	34970.00	23352.00
C15 H27 N O2	1.00	1.00	1.00	13497.00	46342.00	20727.00	1.00	12915.00	13464.00	16691.00	23935.00	27747.00	17227.00	29059.00	25791.00	53602.00	16372.00	1.00	1.00	12123.00	40197.00	35826.00	41031.00	17143.00
C33 H22 N4 O28 S2	13632.00	14010.00	1.00	1.00	1.00	1.00	1.00	1.00	27544.00	27763.00	1.00	1.00	18503.00	19147.00	1.00	1.00	10633.00	19546.00	1.00	1.00	15828.00	14964.00	15454.00	16372.00
C6 H5 N2 O4	29186.00	30557.00	26907.00	24868.00	28451.00	27979.00	27012.00	27878.00	1.00	1.00	26905.00	26546.00	26511.00	26548.00	31029.00	28380.00	25164.00	30095.00	29270.00	26791.00	27825.00	27166.00	27702.00	25050.00
C8 H20 N3 O4	70382.00	78579.00	18866.00	58063.00	33397.00	74980.00	82016.00	71357.00	57829.00	49546.00	88714.00	109662.00	69319.00	51605.00	94572.00	87571.00	32363.00	30920.00	35400.00	59172.00	79554.00	87214.00	73874.00	26247.00
C18 H12 N8 O3	1.00	8711.00	1.00	8983.00	16010.00	25527.00	11351.00	12312.00	1.00	1.00	1.00	11378.00	9022.00	1.00	9766.00	15200.00	11880.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
4-octenal Esi+1.2390001	63364.00	24837.00	29878.00	60510.00	75043.00	32394.00	67943.00	67516.00	48131.00	50681.00	103779.00	107687.00	29512.00	29486.00	35564.00	37504.00	51953.00	21417.00	51329.00	53456.00	65805.00	69533.00	68149.00	26873.00
C20 H22 O9	10429.00	1.00	15262.00	16790.00	1.00	1.00	14088.00	12510.00	1.00	1.00	11741.00	11212.00	14043.00	15028.00	25813.00	21424.00	1.00	1.00	1.00	10295.00	1.00	1.00	1.00	9627.00
C25 H45 N11 O2	1.00	12263.00	1.00	1.00	24270.00	31543.00	14416.00	16312.00	1.00	11173.00	1.00	13719.00	16630.00	17101.00	16612.00	15700.00	15071.00	1.00	13543.00	17132.00	11500.00	1.00	14642.00	11805.00
7-Tridecenoic acid; C13:1n-6	22762.00	51076.00	39907.00	18707.00	42265.00	35927.00	22829.00	19039.00	16737.00	38298.00	48960.00	42451.00	40503.00	43682.00	53208.00	63359.00	16145.00	21916.00	31796.00	1.00	42855.00	51700.00	23863.00	27654.00
C52 H105 N3 O8	13987.00	13843.00	1.00	1.00	1.00	1.00	1.00	1.00	20658.00	19933.00	1.00	1.00	15170.00	14743.00	16988.00	15049.00	1.00	1.00	1.00	1.00	1.00	1.00	24860.00	23364.00
Dibutyl succinate Esi+1.4950004	25942.00	27489.00	1.00	1.00	46012.00	37488.00	24937.00	30691.00	1.00	1.00	47554.00	57789.00	23829.00	22801.00	47744.00	40204.00	1.00	1.00	1.00	1.00	33752.00	30133.00	30539.00	34497.00
C16 H27 N S	36943.00	46827.00	18164.00	11319.00	54395.00	46131.00	32165.00	30099.00	51778.00	33010.00	20697.00	33210.00	26299.00	35189.00	12493.00	26853.00	19963.00	8988.00	27329.00	33194.00	39104.00	32874.00	16460.00	57617.00
Anisole	18443.00	22188.00	1.00	1.00	23407.00	23464.00	24544.00	26997.00	1.00	1.00	27579.00	26952.00	22308.00	20621.00	26331.00	25857.00	1.00	1.00	1.00	1.00	26893.00	28736.00	36456.00	35468.00
C29 H62 N22	16922.00	15941.00	22675.00	22148.00	17326.00	16349.00	19610.00	17573.00	11113.00	12515.00	17351.00	18438.00	21510.00	22065.00	25372.00	26908.00	17871.00	20376.00	22007.00	22717.00	19158.00	18325.00	19117.00	19674.00
C12 H18 O4	1.00	1.00	1.00	1.00	23610.00	26165.00	1.00	1.00	1.00	1.00	26335.00	32309.00	24685.00	31890.00	12334.00	15619.00	1.00	1.00	1.00	1.00	18555.00	25908.00	21386.00	16315.00
C35 H66 N12 O20	12251.00	12459.00	1.00	1.00	8777.00	1.00	1.00	1.00	22414.00	19562.00	1.00	1.00	14832.00	14668.00	9853.00	10117.00	11876.00	19589.00	1.00	1.00	16223.00	13786.00	14390.00	15384.00
Arg Phe Esi+1.8149997	319599.00	183517.00	305254.00	315316.00	183854.00	300429.00	304665.00	302116.00	278999.00	156772.00	315321.00	185818.00	299331.00	156741.00	166059.00	125631.00	328731.00	313804.00	182513.00	178195.00	184340.00	297698.00	313703.00	186655.00
1-Hexadecylamine	128039.00	98782.00	1.00	111335.00	103112.00	98952.00	35392.00	126810.00	145000.00	145406.00	115982.00	96107.00	33629.00	50649.00	113895.00	103002.00	14958.00	99783.00	111102.00	117859.00	108657.00	113120.00	112753.00	89556.00
C13 H22 N O	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14161.00	11501.00	12541.00	12877.00	9760.00	1.00	11176.00	1.00	23052.00	15538.00	23115.00	24508.00
Montanol	846049.00	874135.00	809412.00	833204.00	631401.00	747259.00	836469.00	823103.00	696464.00	1033758.00	831479.00	895132.00	920308.00	832931.00	849230.00	867686.00	552104.00	871450.00	869069.00	892269.00	838995.00	1109487.00	852464.00	881506.00
C22 H33 N3 O18	23342.00	48938.00	20292.00	51262.00	86573.00	179388.00	11337.00	63172.00	20936.00	21822.00	33360.00	54747.00	16330.00	15847.00	16450.00	15659.00	13444.00	14687.00	37396.00	48734.00	9239.00	41318.00	11614.00	11685.00
Arg Ile Thr Esi+5.587999	47052.00	41241.00	45229.00	52669.00	14173.00	47986.00	18379.00	19059.00	35632.00	32775.00	68780.00	19931.00	68339.00	79062.00	66322.00	66858.00	19709.00	37518.00	72825.00	68817.00	22744.00	67415.00	69752.00	74488.00
C47 H97 N10 O3	13645.00	12990.00	1.00	1.00	1.00	1.00	1.00	1.00	23847.00	24891.00	1.00	1.00	16015.00	14371.00	20526.00	18249.00	1.00	1.00	1.00	1.00	1.00	1.00	27079.00	28834.00
Neoilludin A	36843.00	19238.00	34934.00	36691.00	44157.00	47811.00	31272.00	36755.00	44949.00	39301.00	34228.00	34783.00	29321.00	14240.00	1.00	1.00	46066.00	25938.00	33052.00	17383.00	39851.00	41355.00	1.00	1.00
C8 H14 N4	145113.00	209455.00	115661.00	1.00	270447.00	151490.00	112262.00	111569.00	73035.00	1.00	1.00	178962.00	114906.00	96639.00	90855.00	285729.00	212611.00	310107.00	113370.00	1.00	100861.00	346534.00	300258.00	108009.00
C11 H20 O2 Esi+1.2537776	1.00	1.00	1.00	1.00	1.00	1.00	31932.00	47263.00	1.00	1.00	1.00	1.00	31626.00	23621.00	1.00	1.00	45802.00	52237.00	1.00	1.00	43670.00	1.00	1.00	66689.00
L-Isoleucine Esi+4.3970013	12837.00	10821.00	14233.00	13294.00	14016.00	15768.00	21860.00	18733.00	26514.00	27844.00	17691.00	21723.00	20205.00	21242.00	19411.00	23422.00	29533.00	13320.00	17438.00	35074.00	1.00	1.00	20230.00	20080.00
C43 H91 N20 O2	28154.00	26353.00	1.00	1.00	1.00	1.00	1.00	1.00	24674.00	25916.00	1.00	1.00	11822.00	11733.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11351.00	11461.00
C37 H27 N14 O2	20000.00	19336.00	23709.00	23289.00	19919.00	23133.00	25532.00	23441.00	19735.00	22121.00	27208.00	28118.00	21359.00	21488.00	20793.00	22244.00	18275.00	19341.00	23639.00	23965.00	20689.00	19265.00	20772.00	21146.00
4-Acetamido-2-amino-6-nitrotoluene Esi+2.4659998	242106.00	236916.00	179546.00	174396.00	152872.00	154608.00	48670.00	44124.00	1.00	1.00	222638.00	229898.00	313869.00	308011.00	206358.00	198168.00	439637.00	257871.00	147327.00	145721.00	260149.00	258075.00	205075.00	210294.00
C15 H38 N8 O3	1.00	56367.00	25884.00	29660.00	17639.00	35636.00	33974.00	48335.00	1.00	207156.00	248353.00	26057.00	35063.00	53435.00	51356.00	73051.00	29570.00	22795.00	49219.00	1.00	65057.00	246290.00	87300.00	28220.00
2-oxo-tetradecanoic acid Esi+1.1790005	48820.00	53711.00	32780.00	31613.00	29927.00	25618.00	45112.00	42872.00	59600.00	14267.00	104934.00	118998.00	59522.00	55926.00	77448.00	73511.00	34642.00	38467.00	36676.00	35429.00	61925.00	58827.00	75471.00	72029.00
C18 H32 O	1.00	1.00	1.00	1.00	23076.00	18459.00	1.00	1.00	12360.00	1.00	16757.00	14368.00	15284.00	10950.00	1.00	1.00	1.00	1.00	17904.00	16017.00	1.00	1.00	1.00	1.00
(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid	1.00	1.00	27818.00	20206.00	37288.00	37277.00	17699.00	15629.00	14841.00	21445.00	27123.00	73169.00	15119.00	17167.00	24105.00	15811.00	1.00	1.00	1.00	1.00	15566.00	19826.00	13760.00	15265.00
C14 H26 N O S	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	41769.00	40743.00	28530.00	36043.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	46830.00	40152.00
C12 H20 O7	418969.00	396984.00	201800.00	184253.00	378857.00	345254.00	125617.00	130607.00	153726.00	170114.00	246841.00	248190.00	176961.00	256558.00	140216.00	191758.00	93843.00	146368.00	205388.00	138102.00	169560.00	135131.00	373432.00	424782.00
Nitrothal-isopropyl Esi+2.841	78635.00	87463.00	1108217.00	1132231.00	142931.00	138743.00	98502.00	656672.00	1.00	1.00	626129.00	1.00	1075548.00	1174464.00	850975.00	1102626.00	95119.00	102727.00	122901.00	117210.00	566983.00	557751.00	415240.00	408448.00
Met Val Arg	26228.00	25559.00	18604.00	19736.00	19699.00	19646.00	19710.00	20193.00	20701.00	18493.00	20025.00	18823.00	21914.00	20525.00	21974.00	19357.00	19241.00	20510.00	22413.00	19856.00	20649.00	20893.00	18914.00	18318.00
C17 H27 N2 O3	26906.00	18860.00	11831.00	18022.00	19017.00	52267.00	11855.00	18948.00	20880.00	18546.00	9948.00	18344.00	25415.00	1.00	23695.00	19990.00	18026.00	25339.00	1.00	27887.00	27022.00	14133.00	1.00	23237.00
C8 H12 N10 S	122682.00	116573.00	98589.00	93341.00	90766.00	88871.00	95720.00	76107.00	1.00	1.00	81546.00	107341.00	96877.00	80167.00	132207.00	94480.00	1.00	73010.00	90986.00	93914.00	104791.00	94792.00	58624.00	60102.00
C4 H9 N O Esi+5.436	58028.00	54800.00	56866.00	29841.00	1.00	1.00	1.00	1.00	1.00	176122.00	1.00	57369.00	56010.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	56801.00	54538.00	1.00	53729.00
C10 H22 O3 Esi+1.219	27373.00	27484.00	30842.00	28897.00	33159.00	32315.00	28827.00	28643.00	47854.00	51249.00	37759.00	41327.00	28715.00	30760.00	36238.00	34970.00	33274.00	31986.00	35533.00	40402.00	33106.00	33827.00	22129.00	24962.00
C17 H32 N7 O2 Esi+2.9209998	39793.00	24909.00	96189.00	79126.00	60581.00	155689.00	62329.00	122742.00	70317.00	135384.00	108986.00	90763.00	77989.00	23384.00	161680.00	147054.00	1.00	119006.00	49754.00	64874.00	79269.00	45938.00	156628.00	142592.00
C4 H8 N2 Esi+5.4759984	53485.00	38281.00	54825.00	18060.00	51916.00	42114.00	83030.00	52303.00	37262.00	46575.00	56382.00	117697.00	49812.00	46103.00	53479.00	36977.00	44784.00	49925.00	51785.00	37363.00	37133.00	54548.00	22916.00	60573.00
C20 H43 N4 O2 Esi+4.155999	13115.00	12227.00	15485.00	17156.00	1.00	1.00	1.00	1.00	36037.00	32192.00	1.00	1.00	22466.00	22976.00	1.00	1.00	209613.00	225423.00	1.00	1.00	1.00	1.00	1.00	15600.00
C8 H12 N3	22403.00	29051.00	28002.00	13842.00	1.00	22119.00	1.00	1.00	1.00	1.00	49282.00	50353.00	18418.00	12285.00	39639.00	33321.00	13720.00	31733.00	1.00	1.00	39267.00	32514.00	30677.00	27364.00
C23 H48 O8	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	44037.00	34105.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C23 H38 N4	1.00	1.00	1.00	1.00	27747.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	29415.00	21304.00	23580.00	1.00	1.00	1.00	39672.00	15208.00	1.00	1.00	1.00	1.00
C18 H42 N10	99317.00	117419.00	141618.00	1.00	1.00	100047.00	81447.00	99124.00	1.00	1.00	87274.00	1.00	118038.00	1.00	168490.00	79340.00	1.00	1.00	82650.00	111059.00	82434.00	1.00	143402.00	116848.00
C26 H43 N12 O19	23656.00	25021.00	9181.00	10076.00	15826.00	10343.00	1.00	1.00	10882.00	11113.00	1.00	1.00	10179.00	9809.00	1.00	1.00	11385.00	11502.00	1.00	1.00	13352.00	12790.00	16169.00	17278.00
N-Oleoyl-L-Serine	1.00	1.00	862191.00	958354.00	721727.00	891032.00	1.00	1.00	745021.00	1034019.00	866272.00	959535.00	941414.00	931574.00	879847.00	831636.00	854882.00	635103.00	968168.00	911833.00	891915.00	1188800.00	866387.00	946504.00
C17 H30 N3 O3	39061.00	36743.00	42669.00	72033.00	35999.00	21225.00	47081.00	47738.00	18964.00	1.00	1.00	25048.00	99042.00	1.00	29880.00	1.00	35168.00	46223.00	22691.00	26028.00	75607.00	28801.00	39704.00	24464.00
C15 H27 N2 O	28837.00	29469.00	30047.00	31459.00	24643.00	22833.00	29472.00	32097.00	19834.00	20775.00	38570.00	41667.00	25451.00	25425.00	30410.00	28085.00	25160.00	20673.00	23209.00	21099.00	25648.00	29024.00	27904.00	26680.00
C4 H10 N2 O	58378.00	74484.00	51761.00	57652.00	52012.00	62328.00	39875.00	48328.00	75301.00	72327.00	55501.00	44051.00	56015.00	65079.00	62737.00	48405.00	42438.00	57527.00	61230.00	58278.00	63550.00	61390.00	62866.00	63103.00
4'-Hydroxytrimethoprim Esi+1.0839998	109993.00	379723.00	231981.00	210748.00	356600.00	383699.00	144616.00	153099.00	168919.00	125356.00	284793.00	291771.00	299712.00	298056.00	220948.00	221292.00	498031.00	272403.00	247677.00	254087.00	218869.00	224039.00	359652.00	361674.00
C10 H14 N6 O5 Esi+4.206001	29019.00	87017.00	84271.00	1.00	106943.00	101778.00	1.00	55388.00	1.00	1.00	113598.00	100617.00	108185.00	1.00	41577.00	100194.00	1.00	110859.00	120938.00	98862.00	104423.00	103297.00	31664.00	45746.00
C25 H45 N	1.00	1.00	1.00	1.00	16177.00	16527.00	1.00	1.00	1.00	1.00	1.00	1.00	27187.00	28525.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
cyclohexylammonium	1.00	148431.00	96446.00	53329.00	113469.00	37236.00	29667.00	75652.00	46953.00	122448.00	34209.00	88651.00	90540.00	106090.00	63860.00	43834.00	88237.00	151066.00	36440.00	60075.00	155027.00	77313.00	1.00	98098.00
C7 H8 N2 O2	22371.00	22597.00	13153.00	13378.00	11555.00	12361.00	20680.00	20698.00	1.00	1.00	1.00	1.00	17226.00	21117.00	20160.00	19444.00	24293.00	20454.00	18985.00	16869.00	1.00	1.00	12457.00	14344.00
Furfural Esi+2.639 :1	171893.00	155339.00	163547.00	169880.00	202720.00	123037.00	133618.00	127868.00	1.00	1.00	164175.00	118308.00	180703.00	118445.00	237297.00	129914.00	1139846.00	135067.00	195832.00	130216.00	221611.00	213619.00	94434.00	1.00
C15 H26 N O19 Esi+3.6100001	29099.00	30414.00	23879.00	27541.00	35014.00	33223.00	24445.00	23445.00	1.00	1.00	39559.00	1.00	41711.00	1.00	1.00	1.00	29692.00	41753.00	1.00	12158.00	1.00	1.00	17558.00	17735.00
4'-Hydroxytrimethoprim Esi+2.9469995 :1	267778.00	56030.00	219435.00	100004.00	124017.00	74807.00	199951.00	127904.00	1.00	1.00	239895.00	253785.00	287347.00	236665.00	188453.00	251979.00	1.00	243551.00	196548.00	212683.00	281963.00	111134.00	257771.00	109983.00
CAY10594	21337.00	21855.00	1.00	16441.00	23126.00	19593.00	27116.00	22471.00	27487.00	26250.00	16115.00	1.00	22188.00	21019.00	1.00	16505.00	23096.00	21602.00	17405.00	19364.00	22516.00	21881.00	21058.00	20141.00
C15 H26 O3 Esi+1.2409997	42595.00	18980.00	15302.00	14465.00	58382.00	53169.00	24813.00	21410.00	1.00	1.00	105669.00	102919.00	52208.00	1.00	68774.00	70918.00	12038.00	12709.00	1.00	1.00	55205.00	52461.00	54454.00	55613.00
C33 H69 N21 O S	278259.00	253406.00	46435.00	43700.00	28186.00	27368.00	23175.00	18478.00	355895.00	120893.00	1.00	11760.00	175300.00	170659.00	61823.00	62162.00	172499.00	38601.00	13071.00	14343.00	18076.00	22560.00	14079.00	12685.00
Inosine Esi+2.9059992	25983.00	23990.00	301058.00	302938.00	446051.00	435065.00	665025.00	558085.00	1.00	1.00	406450.00	517177.00	290645.00	265145.00	1146134.00	820759.00	165976.00	881754.00	593049.00	609041.00	708944.00	680988.00	293720.00	296822.00
C6 H15 N4 O3 S	28494.00	47027.00	34701.00	37343.00	1.00	1.00	1.00	1.00	47891.00	49167.00	1.00	1.00	42930.00	38641.00	41053.00	46375.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
5-Hydroxymethyl-2-furaldehyde Esi+2.656654	177622.00	164691.00	172297.00	167644.00	217701.00	214502.00	220396.00	191760.00	1.00	1.00	156439.00	189845.00	171873.00	169595.00	238671.00	181747.00	1132815.00	226183.00	208658.00	205275.00	237923.00	232659.00	95108.00	101565.00
Virginiamycin M1	15562.00	13009.00	1.00	1.00	13166.00	13045.00	1.00	1.00	23655.00	22612.00	1.00	1.00	15330.00	14518.00	1.00	1.00	9943.00	18636.00	1.00	1.00	16188.00	16281.00	1.00	1.00
MG(22:2(13Z,16Z)/0:0/0:0)	24422.00	56687.00	25448.00	59194.00	37933.00	26261.00	52683.00	38451.00	50031.00	46917.00	43637.00	48905.00	37462.00	36434.00	38784.00	49237.00	20032.00	25859.00	21612.00	24278.00	33828.00	30099.00	50789.00	31280.00
Desflurane	153172.00	143320.00	133932.00	130699.00	114409.00	114187.00	137544.00	127152.00	130861.00	116596.00	127884.00	124157.00	108004.00	122429.00	119369.00	124697.00	135946.00	108547.00	114023.00	114586.00	117965.00	118260.00	120785.00	112094.00
5Z,9Z-Tridecadienyl acetate Esi+1.1299996	45904.00	44933.00	50675.00	52044.00	111052.00	56878.00	83144.00	79128.00	22680.00	52474.00	77938.00	86571.00	27631.00	74963.00	95129.00	46127.00	18018.00	47359.00	24657.00	22715.00	77613.00	43983.00	86142.00	53500.00
2-undecenal	24566.00	21830.00	27232.00	28766.00	24948.00	23358.00	30019.00	30957.00	18943.00	19008.00	43616.00	45861.00	34738.00	25927.00	62306.00	53472.00	27865.00	25336.00	21219.00	22215.00	40566.00	36685.00	34451.00	37104.00
C-6 Ceramide Esi+1.0760001	893234.00	162824.00	154794.00	154211.00	160905.00	138144.00	138708.00	141868.00	369541.00	395745.00	152880.00	146209.00	150726.00	143599.00	154022.00	155990.00	136041.00	135189.00	374093.00	148137.00	153843.00	150620.00	1.00	140984.00
3,4-Dihydroxybutyric acid Esi+2.913001	125815.00	105093.00	71219.00	68490.00	108660.00	105185.00	124419.00	86465.00	1.00	1.00	117520.00	190971.00	66350.00	1.00	73524.00	1.00	1.00	120888.00	102603.00	99151.00	154738.00	150373.00	103654.00	95841.00
C15 H29 N O3	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	21101.00	18596.00	15017.00	15646.00	22520.00	19123.00	1.00	1.00	1.00	1.00	1.00	1.00
C21 H41 N4 O3	15619.00	109535.00	105671.00	110359.00	30130.00	32242.00	26282.00	23383.00	107520.00	1.00	1.00	1.00	102333.00	1.00	107388.00	101805.00	1.00	98817.00	1.00	105030.00	1.00	15030.00	16394.00	14525.00
C18 H40 N3 O3	1.00	1.00	13662.00	12307.00	13884.00	15838.00	1.00	1.00	15394.00	15090.00	12214.00	13290.00	14069.00	12945.00	52251.00	53659.00	24635.00	24534.00	1.00	1.00	1.00	1.00	12545.00	11762.00
C17 H35 O S	68411.00	55563.00	54689.00	63650.00	86702.00	83879.00	75364.00	77379.00	49006.00	58120.00	93886.00	1.00	72315.00	72773.00	84565.00	91499.00	27714.00	41166.00	43802.00	45039.00	67311.00	71082.00	56853.00	52306.00
3-oxo-tridecanoic acid Esi+1.1870002	92722.00	88723.00	79480.00	77469.00	92012.00	92481.00	87855.00	95037.00	52501.00	56055.00	123438.00	118752.00	72952.00	58802.00	99660.00	94430.00	53331.00	48055.00	52176.00	52723.00	79545.00	83342.00	79607.00	92320.00
C11 H27 N4 O8	1.00	1.00	1.00	1.00	22719.00	22896.00	13344.00	15346.00	1.00	1.00	17500.00	19120.00	12860.00	13132.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
Multifidol	9980.00	9451.00	12588.00	15138.00	9335.00	1.00	17770.00	14731.00	17109.00	17707.00	20134.00	19825.00	22310.00	22038.00	20970.00	18919.00	12311.00	13333.00	14817.00	15678.00	13962.00	12279.00	14561.00	14284.00
C11 H22 O S	13560.00	13149.00	13679.00	14395.00	18927.00	18386.00	15494.00	16054.00	18827.00	20164.00	13037.00	18843.00	15500.00	15151.00	18633.00	17480.00	16372.00	19376.00	15442.00	13385.00	34133.00	33704.00	12123.00	14711.00
Hypoxanthine Esi+2.903	2680965.00	500070.00	923269.00	904790.00	1330160.00	2964165.00	1842754.00	1528504.00	30585.00	36770.00	1108880.00	1426389.00	903802.00	819037.00	3435132.00	2447249.00	3445437.00	2497669.00	1728637.00	3491723.00	2008277.00	1865752.00	862197.00	1805044.00
Fenothiocarb sulfoxide	16085.00	16432.00	20580.00	21362.00	14072.00	15191.00	15802.00	16743.00	1.00	1.00	16072.00	15181.00	18135.00	18382.00	23922.00	20981.00	17092.00	1.00	12993.00	14702.00	12010.00	1.00	17565.00	16567.00
Ethyl isobutyl ketone	11870.00	16271.00	15277.00	15526.00	1.00	11577.00	14483.00	13992.00	15646.00	17912.00	25704.00	22171.00	15253.00	14224.00	20986.00	16988.00	12101.00	18561.00	15976.00	17651.00	15468.00	12926.00	13908.00	16477.00
C14 H19 N5 O2	1.00	1.00	16770.00	15578.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	15607.00	14028.00	1.00	1.00	16152.00	16935.00	1.00	1.00	1.00	1.00	1.00	1.00
1-Aminocyclohexanecarboxylic acid Esi+1.711	19623.00	23850.00	22315.00	20703.00	24593.00	28540.00	24305.00	20169.00	1.00	1.00	30625.00	23331.00	48426.00	24080.00	28309.00	23503.00	25362.00	23067.00	21915.00	20063.00	16487.00	31048.00	1.00	1.00
Arg Ile Thr Esi+5.5870004	46550.00	41803.00	44878.00	19162.00	14173.00	42217.00	18379.00	19303.00	36315.00	32991.00	18768.00	19929.00	78343.00	78510.00	67645.00	68511.00	19709.00	37518.00	63911.00	67722.00	22858.00	61542.00	72614.00	71770.00
4E-Tridecenyl acetate	27777.00	25521.00	1.00	1.00	42429.00	44467.00	1.00	24515.00	21503.00	22139.00	43847.00	54974.00	28402.00	34314.00	43776.00	53150.00	21617.00	25284.00	17822.00	19009.00	33846.00	26507.00	34944.00	31727.00
C9 H18 N2 O	21944.00	32665.00	34214.00	27607.00	27491.00	31526.00	33433.00	24301.00	23805.00	23630.00	36305.00	18193.00	23465.00	35295.00	28364.00	28562.00	37438.00	21180.00	26510.00	31640.00	23422.00	18989.00	35542.00	16344.00
C12 H16 N	27304.00	1.00	29447.00	1.00	1.00	1.00	1.00	1.00	28852.00	21714.00	36468.00	42116.00	25484.00	28588.00	1.00	1.00	25070.00	26961.00	17711.00	28634.00	1.00	1.00	1.00	1.00
C11 H14 N O	1.00	1.00	20663.00	22706.00	1.00	1.00	1.00	1.00	13096.00	13601.00	1.00	1.00	20842.00	17672.00	1.00	1.00	18018.00	20836.00	13883.00	16029.00	1.00	1.00	15897.00	13740.00
C7 H10 Esi+1.0909997	65194.00	66931.00	73011.00	63369.00	81693.00	76706.00	57408.00	72856.00	59448.00	56814.00	99359.00	103658.00	80541.00	56252.00	85334.00	33824.00	74148.00	77885.00	58138.00	56838.00	76184.00	61317.00	85207.00	82030.00
Acetone cyanohydrin Esi+6.1979985	31954.00	33959.00	21942.00	23485.00	18819.00	28170.00	20547.00	19235.00	1.00	1.00	32589.00	21951.00	32607.00	25165.00	1.00	14559.00	58040.00	18310.00	13652.00	25504.00	45126.00	11379.00	24168.00	21452.00
10-Lauroleic acid Esi+1.246	101966.00	103965.00	73893.00	87584.00	114630.00	123837.00	110126.00	113295.00	74607.00	90292.00	197415.00	201283.00	64119.00	69738.00	135989.00	135234.00	75411.00	80317.00	85272.00	89699.00	108294.00	111270.00	133089.00	121661.00
C41 H51 N5 O6	20921.00	21107.00	11812.00	11625.00	14453.00	13156.00	11863.00	10797.00	21734.00	22349.00	11764.00	12989.00	19642.00	18451.00	12884.00	13888.00	17011.00	19759.00	10382.00	10875.00	16516.00	15771.00	16272.00	18109.00
C5 H11 N3 Esi+5.403	1.00	1.00	148558.00	149409.00	156966.00	1.00	155878.00	1.00	1.00	159875.00	1.00	136361.00	165909.00	133159.00	1.00	172557.00	136634.00	1.00	1.00	1.00	160160.00	163044.00	156033.00	1.00
10-hydroxy-undecanoic acid Esi+1.1790005	69793.00	34186.00	70160.00	70079.00	112754.00	111281.00	64343.00	67694.00	74256.00	70601.00	89441.00	92479.00	76956.00	32865.00	14197.00	74506.00	57748.00	60405.00	36764.00	77463.00	120206.00	121846.00	63974.00	69078.00
Chamuvaritin Esi+1.125	40829.00	40117.00	34205.00	32218.00	49792.00	46297.00	44240.00	44763.00	52311.00	50318.00	32370.00	33888.00	43010.00	41818.00	34110.00	34607.00	40427.00	58797.00	37743.00	36495.00	46010.00	44224.00	38692.00	36977.00
C37 H81 N4 O13	1.00	1.00	1.00	23945.00	8801.00	10735.00	1.00	1.00	23407.00	20535.00	20186.00	9766.00	17201.00	12757.00	1.00	1.00	14118.00	21321.00	9878.00	1.00	9827.00	17098.00	15614.00	1.00
C7 H12 O Esi+1.212	17281.00	16241.00	1.00	1.00	19693.00	24429.00	1.00	1.00	1.00	1.00	28459.00	28875.00	21220.00	23738.00	24022.00	24825.00	1.00	1.00	1.00	16111.00	1.00	18048.00	23173.00	1.00
C12 H36 N10 O4 Esi+2.93	1.00	1.00	23794.00	30704.00	1.00	39666.00	47442.00	1.00	1.00	1.00	1.00	1.00	56951.00	1.00	18992.00	93567.00	1.00	107164.00	48855.00	132824.00	90027.00	37175.00	1.00	1.00
C18 H31 N5 O2	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	17412.00	20251.00	1.00	1.00	18372.00	21045.00	1.00	1.00	12831.00	19521.00	12330.00	12644.00	1.00	1.00	1.00	1.00
C18 H30 N3	21315.00	39968.00	20183.00	11071.00	35118.00	46055.00	25686.00	26412.00	28906.00	18111.00	60180.00	57338.00	41502.00	30786.00	59164.00	55301.00	27343.00	20992.00	24943.00	24845.00	15690.00	19833.00	29175.00	14321.00
C14 H28 N4 O2	100021.00	1.00	107153.00	1.00	19882.00	88057.00	1.00	1.00	1.00	1.00	1.00	1.00	20919.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	125780.00	1.00	1.00
C15 H29 N8 O5	1.00	11269.00	1.00	1.00	21439.00	15791.00	1.00	1.00	20211.00	19778.00	1.00	1.00	12434.00	13803.00	1.00	12145.00	16242.00	11791.00	1.00	1.00	1.00	1.00	1.00	1.00
C17 Sphinganine Esi+4.059999 :2	101149.00	101404.00	108446.00	111052.00	112142.00	109091.00	178403.00	173608.00	179837.00	179574.00	152282.00	150141.00	598718.00	602195.00	150389.00	158206.00	110502.00	113597.00	81148.00	76328.00	118326.00	116893.00	102333.00	107556.00
(+/-)-6-Hydroxy-3-oxo-alpha-ionol	67916.00	65932.00	59323.00	59600.00	38037.00	74217.00	60171.00	68727.00	18797.00	35312.00	97277.00	97244.00	63150.00	65229.00	80189.00	77541.00	61482.00	60679.00	65411.00	73017.00	71408.00	72216.00	63684.00	60311.00
C12 H16 N3 O6	39532.00	57471.00	61347.00	116069.00	41567.00	90460.00	39194.00	62658.00	1.00	1.00	120810.00	129307.00	129117.00	42698.00	113580.00	114700.00	124904.00	48442.00	64800.00	62757.00	122351.00	138152.00	139662.00	1.00
C6 H13 N O2 S	15113.00	13997.00	1.00	1.00	11421.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13064.00	14133.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C27 H50 N2 O11	22469.00	23159.00	18366.00	17381.00	17938.00	17599.00	17806.00	16815.00	15385.00	14293.00	18497.00	17626.00	18506.00	19673.00	18630.00	19231.00	23646.00	17931.00	17966.00	18680.00	18752.00	19175.00	16648.00	14974.00
C21 H35 N8	62173.00	67460.00	53230.00	64959.00	73425.00	90560.00	57362.00	67728.00	51828.00	58444.00	68941.00	79305.00	65975.00	59319.00	68752.00	78851.00	51962.00	49761.00	53971.00	59520.00	61176.00	61257.00	58064.00	69640.00
C11 H18 N2 O2	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	22004.00	27223.00	24650.00	19344.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	27574.00	26627.00
8Z-heptadecenoic acid	12011.00	1.00	22044.00	22593.00	1.00	11397.00	12978.00	13218.00	10895.00	19087.00	15546.00	13237.00	20686.00	13869.00	10422.00	10600.00	13300.00	15479.00	16627.00	12830.00	1.00	1.00	12246.00	12090.00
C12 H23 N5 Esi+1.3129998	50863.00	43754.00	36352.00	37530.00	28212.00	28838.00	52038.00	49388.00	59717.00	64379.00	63994.00	63820.00	45833.00	38386.00	45743.00	46763.00	33679.00	31540.00	36310.00	41228.00	36049.00	42126.00	49969.00	42428.00
alpha,4,2'-Trihydroxy-4-O-geranyldihydrochalcone Esi+1.1119996	130028.00	132669.00	89303.00	84059.00	142186.00	134296.00	111305.00	105562.00	157106.00	158410.00	84473.00	81129.00	114029.00	110551.00	90089.00	88525.00	137707.00	140597.00	89686.00	89717.00	118898.00	113623.00	95197.00	100297.00
C22 H26 N6 O	18940.00	1.00	19115.00	1.00	1.00	1.00	1.00	1.00	19740.00	17592.00	18567.00	17977.00	19928.00	18123.00	18339.00	17262.00	1.00	18224.00	19281.00	16830.00	18303.00	1.00	18230.00	16798.00
Indoleacrylic acid	20816.00	26424.00	1.00	1.00	1.00	1.00	1.00	1.00	15410.00	18059.00	1.00	1.00	13309.00	12560.00	19606.00	21144.00	1.00	1.00	11444.00	11256.00	1.00	1.00	1.00	1.00
C9 H14 O2 Esi+1.2700002	1.00	1.00	88557.00	100539.00	141497.00	137170.00	1.00	1.00	91521.00	1.00	1.00	1.00	121083.00	1.00	1.00	1.00	190952.00	103670.00	120257.00	83824.00	1.00	1.00	92093.00	95936.00
N-acyl capnines Esi+1.6779997	45777.00	51239.00	51957.00	1.00	68047.00	80942.00	1.00	1.00	55368.00	18707.00	1.00	1.00	67843.00	53999.00	81972.00	68008.00	92117.00	78092.00	1.00	1.00	50674.00	60130.00	63243.00	28186.00
4-oxo capric acid Esi+1.1900003	41007.00	41540.00	30052.00	27149.00	43793.00	48077.00	40664.00	43319.00	41528.00	26513.00	64449.00	60401.00	44548.00	36348.00	58654.00	60362.00	28475.00	31575.00	38199.00	38021.00	39838.00	48312.00	43594.00	43746.00
Quinone	72153.00	66326.00	64443.00	64168.00	51599.00	50108.00	51645.00	48445.00	1.00	1.00	63837.00	75861.00	69430.00	67914.00	87023.00	77367.00	446709.00	36164.00	50579.00	48905.00	59763.00	53653.00	92461.00	14376.00
C24 H55 N4 O7 Esi+1.3449998	17296.00	36064.00	1.00	12348.00	21233.00	20564.00	1.00	27141.00	21061.00	24264.00	1.00	24362.00	24059.00	40701.00	78628.00	67657.00	59503.00	38159.00	14330.00	34001.00	18267.00	31050.00	44410.00	40056.00
C42 H70 N11	21929.00	20024.00	11347.00	11840.00	1.00	1.00	1.00	1.00	12246.00	12377.00	1.00	1.00	11409.00	10453.00	11327.00	11046.00	22868.00	13136.00	1.00	1.00	1.00	1.00	1.00	1.00
C21 H36 N7	20205.00	20543.00	1.00	1.00	22083.00	27737.00	1.00	1.00	1.00	15207.00	39913.00	33527.00	11850.00	20460.00	27897.00	25430.00	14400.00	19016.00	1.00	1.00	24069.00	24103.00	29290.00	31162.00
C7 H14 O	19230.00	15793.00	20154.00	18543.00	17078.00	18029.00	15410.00	19326.00	20034.00	21176.00	23690.00	25047.00	18471.00	17736.00	27750.00	18720.00	15715.00	20724.00	17897.00	21637.00	15728.00	14581.00	23806.00	23810.00
Taurine Esi+5.2300005	115851.00	104091.00	64043.00	62076.00	64532.00	65567.00	89547.00	75902.00	24375.00	23609.00	48259.00	61741.00	61473.00	57171.00	156844.00	135094.00	755500.00	102267.00	104446.00	104345.00	53196.00	53892.00	98076.00	95096.00
C3 H6 N5	13767.00	14996.00	1.00	15104.00	12701.00	1.00	13391.00	1.00	19649.00	20363.00	14204.00	13777.00	12266.00	15051.00	1.00	11416.00	12346.00	1.00	11882.00	12961.00	14407.00	11301.00	12563.00	16791.00
9,12-dioxo-dodecanoic acid	52608.00	52772.00	33664.00	26798.00	53315.00	42991.00	37075.00	30751.00	26311.00	22478.00	70414.00	70510.00	54568.00	39121.00	47952.00	47582.00	33075.00	27940.00	31969.00	36073.00	54326.00	55263.00	47365.00	51021.00
(22E)-3?,7?-Dihydroxy-5?-chol-22-en-24-oic Acid	201402.00	197831.00	153238.00	132994.00	140927.00	107291.00	197712.00	154123.00	1.00	1.00	77775.00	138541.00	149560.00	125869.00	167560.00	148669.00	1.00	174116.00	78085.00	120478.00	88838.00	144368.00	44310.00	149805.00
C6 H8 O	38839.00	1.00	14642.00	12058.00	31537.00	35275.00	30686.00	32088.00	1.00	26848.00	47847.00	66248.00	43010.00	1.00	39325.00	19685.00	14999.00	1.00	31711.00	1.00	25187.00	21950.00	17503.00	21906.00
10-dodecynoic acid	46337.00	58158.00	47539.00	46187.00	54474.00	51671.00	60233.00	62527.00	22967.00	28928.00	69906.00	63286.00	52257.00	43142.00	63702.00	54484.00	42310.00	32143.00	42179.00	45851.00	56886.00	63414.00	45725.00	39098.00
C32 H29 N20 O5	16851.00	15958.00	17300.00	16972.00	15869.00	19629.00	22078.00	21284.00	18298.00	18169.00	20493.00	22037.00	18345.00	17641.00	17891.00	17036.00	13498.00	15144.00	16907.00	17398.00	17248.00	17538.00	18441.00	19411.00
3-hydroxy-tridecanoic acid	24648.00	39513.00	30466.00	1.00	23161.00	24440.00	38963.00	32430.00	44058.00	47967.00	40112.00	41012.00	41576.00	23626.00	53029.00	62391.00	27935.00	31795.00	31717.00	33806.00	41368.00	41739.00	57356.00	33786.00
Arg Phe Esi+1.0739999	1.00	144368.00	151547.00	149965.00	134517.00	11142.00	17532.00	17843.00	1.00	1.00	26787.00	22909.00	13429.00	13273.00	16196.00	137573.00	138503.00	10951.00	134159.00	18108.00	136468.00	15440.00	11422.00	10717.00
C20 H46 N9 O13 S	27991.00	28107.00	31130.00	33682.00	43022.00	41843.00	22518.00	20490.00	36513.00	36805.00	30648.00	31920.00	43650.00	42603.00	34131.00	34401.00	37394.00	39029.00	33178.00	26505.00	44737.00	47430.00	26013.00	26595.00
3-Acetamidopropanal Esi+1.3589997	33295.00	30859.00	1.00	19132.00	27216.00	28074.00	26811.00	29312.00	1.00	1.00	28112.00	22973.00	25233.00	22559.00	48909.00	47569.00	22469.00	20147.00	23803.00	22027.00	22437.00	22681.00	23367.00	23878.00
N-Oleoyl-L-Serine Esi+1.1809999	1201653.00	1184463.00	927940.00	892314.00	732533.00	893937.00	1.00	873457.00	1135272.00	1063934.00	913392.00	954895.00	1203600.00	932875.00	1101770.00	852673.00	823085.00	911938.00	930753.00	920012.00	920636.00	942514.00	895252.00	945348.00
C28 H55 N6 O8 S	10382.00	1.00	14080.00	13112.00	1.00	1.00	20354.00	17177.00	1.00	1.00	1.00	1.00	10892.00	1.00	1.00	1.00	1.00	11515.00	1.00	1.00	12777.00	10547.00	1.00	1.00
Trimethylolpropane triacrylate Esi+1.1210002	22116.00	19330.00	1.00	17885.00	32510.00	33119.00	15590.00	17083.00	45263.00	49716.00	17002.00	17647.00	36243.00	33000.00	25077.00	25540.00	31263.00	35866.00	19435.00	20338.00	28421.00	26636.00	19208.00	21905.00
C30 H27 N8	10916.00	10017.00	11422.00	10682.00	11446.00	10185.00	11890.00	10219.00	12423.00	13589.00	12264.00	11195.00	10787.00	10109.00	12446.00	12255.00	9985.00	11619.00	15536.00	14781.00	15050.00	14841.00	22889.00	23388.00
C14 H30 O3	18174.00	17217.00	21511.00	24603.00	34405.00	19876.00	32607.00	1.00	1.00	1.00	28429.00	31450.00	23792.00	23139.00	23856.00	45297.00	22968.00	18649.00	18628.00	17844.00	28017.00	28714.00	34605.00	35407.00
1,2-Didecanoyl-sn-glycerol	44343.00	47101.00	49353.00	48271.00	53640.00	49184.00	38197.00	35768.00	38452.00	42767.00	40210.00	48857.00	45235.00	42922.00	57336.00	51960.00	44631.00	45057.00	45543.00	42379.00	52282.00	49313.00	61919.00	61787.00
C15 H31 O17	1.00	1.00	16499.00	18771.00	11924.00	11194.00	1.00	1.00	1.00	1.00	1.00	1.00	16316.00	17817.00	12499.00	17981.00	1.00	1.00	1.00	10389.00	1.00	1.00	1.00	1.00
C8 H3 N2 O4 S Esi+1.097	261316.00	1.00	241760.00	139923.00	21613.00	1.00	170649.00	252261.00	16883.00	17639.00	79251.00	45877.00	216857.00	163517.00	1.00	1.00	1.00	211858.00	241076.00	213565.00	1.00	233682.00	26078.00	77189.00
C24 H32 N2 O2	13028.00	14192.00	12612.00	11455.00	13724.00	12688.00	1.00	1.00	13987.00	13641.00	11612.00	11984.00	12845.00	12884.00	11981.00	11545.00	12391.00	13255.00	14127.00	12420.00	12043.00	13581.00	15937.00	16721.00
Prohydrojasmon Esi+1.1229997	28700.00	43384.00	24420.00	26264.00	62833.00	31918.00	31183.00	25433.00	16738.00	44864.00	104222.00	111162.00	28425.00	36032.00	40384.00	72776.00	25322.00	25365.00	19677.00	23899.00	33378.00	35735.00	41746.00	43351.00
C12 H16 N O	16035.00	25914.00	15687.00	24896.00	18595.00	18788.00	21764.00	21646.00	12919.00	19341.00	20319.00	21839.00	21451.00	22709.00	24722.00	17658.00	21147.00	23093.00	22392.00	24155.00	22411.00	24728.00	23235.00	21716.00
C56 H89 N4 O9	1.00	9296.00	15986.00	17028.00	15879.00	1.00	1.00	1.00	16126.00	17158.00	22168.00	21001.00	11246.00	9380.00	1.00	1.00	9172.00	11217.00	17550.00	18882.00	14648.00	12937.00	9342.00	9232.00
4-(Hydroxylamino)-N,N-dimethylaniline	19627.00	23265.00	16147.00	19152.00	18938.00	17914.00	22048.00	22798.00	1.00	1.00	19484.00	20048.00	20987.00	14057.00	21742.00	20992.00	24792.00	1.00	17470.00	17023.00	19261.00	21671.00	11465.00	15800.00
Arg Phe Esi+1.0750002	1.00	1.00	1.00	18433.00	10782.00	11138.00	17782.00	17837.00	1.00	1.00	26926.00	22909.00	13506.00	13273.00	16638.00	14529.00	11499.00	10888.00	17207.00	17847.00	15580.00	15440.00	12068.00	10712.00
C16 H29 N4 O	1.00	1.00	1.00	1.00	37659.00	35327.00	1.00	31020.00	1.00	29006.00	48659.00	51370.00	40794.00	35601.00	39525.00	34141.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
1-Propene, 1,1,3,3-tetrafluoro-2-(fluoromethoxy)-3-methoxy-	19165.00	18679.00	17153.00	19846.00	17972.00	17417.00	18339.00	17266.00	1.00	1.00	17038.00	19071.00	17650.00	18101.00	18148.00	18259.00	1.00	17823.00	18579.00	19255.00	19695.00	16512.00	18360.00	17194.00
Athamantin	29851.00	28190.00	18919.00	17754.00	43902.00	43423.00	35105.00	33990.00	37344.00	38957.00	25748.00	28238.00	36943.00	34284.00	29947.00	31243.00	36434.00	38949.00	22092.00	21489.00	35753.00	37727.00	32330.00	35909.00
C25 H50 O2 S2	26593.00	28295.00	19109.00	42264.00	43306.00	29975.00	42444.00	37318.00	26955.00	22360.00	15857.00	25855.00	39999.00	29134.00	38251.00	31903.00	32865.00	34904.00	24606.00	22804.00	28830.00	25325.00	33505.00	16705.00
C25 H48 N16 O3	20918.00	1.00	1.00	20540.00	1.00	1.00	1.00	1.00	1.00	1.00	22942.00	1.00	22211.00	1.00	22948.00	1.00	1.00	22901.00	21565.00	1.00	22555.00	19700.00	21997.00	21159.00
3S-hydroxy-dodecanoic acid Esi+1.2424287	119897.00	127483.00	39411.00	46949.00	142536.00	145579.00	91317.00	97719.00	49307.00	62710.00	109327.00	104923.00	112832.00	116892.00	176651.00	179384.00	43640.00	44480.00	43469.00	50985.00	114328.00	116113.00	133744.00	28397.00
C13 H32 N11	112312.00	108269.00	101317.00	102005.00	118178.00	118054.00	25459.00	24387.00	121683.00	118533.00	136157.00	130504.00	103516.00	113287.00	138618.00	136420.00	109226.00	100293.00	102732.00	103081.00	135576.00	137014.00	198631.00	190347.00
C4 H8 N6 O	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	45339.00	1.00	1.00	1.00	102486.00	1.00	70426.00	1.00	1.00	1.00	1.00	1.00
2-oxo-dodecanoic acid Esi+1.2369996 :1	75872.00	79069.00	53943.00	54816.00	100753.00	116010.00	64993.00	69925.00	58942.00	59646.00	131665.00	125603.00	68133.00	74546.00	96353.00	103758.00	49402.00	64271.00	61328.00	56812.00	87029.00	88044.00	86099.00	93671.00
C25 H48 O3	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11324.00	1.00	1.00	11382.00	1.00	1.00	1.00	1.00	1.00	14087.00	15150.00	13542.00	1.00	1.00	1.00
Tetradecylamine Esi+4.2190013	30874.00	46785.00	79195.00	83656.00	72310.00	64680.00	66484.00	40817.00	19821.00	18834.00	74647.00	81902.00	81975.00	79453.00	1.00	74231.00	138871.00	84058.00	131375.00	128921.00	70699.00	75033.00	78042.00	70057.00
Hymenoxon Esi+1.2959999	36093.00	36693.00	47377.00	47789.00	31441.00	32757.00	33569.00	33860.00	32671.00	40710.00	33851.00	34287.00	34558.00	31942.00	40747.00	40544.00	33795.00	47923.00	31058.00	33041.00	37123.00	37143.00	28356.00	29567.00
ciclopirox Esi+6.6869974	82290.00	73380.00	59025.00	71365.00	59943.00	73992.00	66005.00	62250.00	68738.00	73719.00	89512.00	69292.00	69973.00	79797.00	68196.00	79849.00	59518.00	63591.00	88783.00	80732.00	71966.00	48196.00	91620.00	63559.00
C18 H19 N5 O5 Esi+2.6720004	67397.00	64188.00	138884.00	141361.00	87233.00	83622.00	94250.00	112413.00	176839.00	188553.00	64966.00	109808.00	168162.00	107131.00	1.00	123664.00	45774.00	78387.00	84959.00	112724.00	61812.00	62612.00	1.00	1.00
C33 H62 N21 O3	14014.00	13556.00	16059.00	17420.00	13012.00	10660.00	16144.00	16700.00	12121.00	12268.00	14318.00	15169.00	12464.00	12703.00	11875.00	12082.00	11231.00	13721.00	15996.00	15947.00	17533.00	17231.00	16425.00	18074.00
C18 H29 N2 O	16497.00	19736.00	15421.00	15471.00	25617.00	26261.00	13206.00	24860.00	37171.00	39959.00	19605.00	20899.00	15559.00	34162.00	32775.00	34524.00	24212.00	13021.00	13431.00	13993.00	14147.00	12701.00	31533.00	32901.00
C17 H33 N4 O4	1.00	1.00	1.00	1.00	45738.00	1.00	11556.00	1.00	13663.00	14447.00	1.00	1.00	34436.00	13533.00	69633.00	1.00	1.00	1.00	1.00	1.00	1.00	47212.00	1.00	1.00
C25 H45 N11 O	1.00	1.00	1.00	1.00	31244.00	25967.00	30226.00	23934.00	1.00	1.00	1.00	1.00	14847.00	19852.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C-6 Ceramide Esi+1.059	983081.00	429363.00	421673.00	436792.00	192447.00	180220.00	60586.00	146767.00	829378.00	715905.00	448866.00	85186.00	207372.00	155475.00	440961.00	451175.00	170798.00	415392.00	77165.00	425665.00	110116.00	441925.00	1000670.00	1028972.00
8E,10E-Tetradecadien-1-ol	41595.00	63946.00	105695.00	80881.00	48382.00	40187.00	53628.00	75296.00	47062.00	63957.00	76844.00	77164.00	79270.00	80319.00	50322.00	69447.00	78147.00	79297.00	56388.00	60306.00	42296.00	28372.00	50746.00	48502.00
C9 H14 N4	58441.00	59115.00	18673.00	20304.00	45118.00	51490.00	77627.00	21803.00	21035.00	21022.00	17508.00	84117.00	17882.00	19178.00	23006.00	16887.00	25903.00	21437.00	18815.00	16336.00	74546.00	70521.00	17638.00	57825.00
N-formylmaleamic acid	21115.00	18854.00	29327.00	29925.00	34836.00	28520.00	36321.00	31801.00	1.00	1.00	27863.00	28980.00	24472.00	28803.00	34235.00	28465.00	29090.00	25057.00	36012.00	34837.00	32468.00	28812.00	25078.00	26548.00
2,5-undecadienal	16876.00	16819.00	26242.00	18931.00	24669.00	19790.00	27255.00	22008.00	21185.00	30161.00	41309.00	37687.00	30810.00	31778.00	30128.00	29890.00	21409.00	22173.00	33265.00	34840.00	37636.00	16507.00	36740.00	25385.00
Furfural Esi+2.7509997 :1	126953.00	86669.00	1.00	169880.00	202720.00	45759.00	65372.00	44574.00	1.00	1.00	164175.00	56322.00	180703.00	38913.00	234643.00	44563.00	1156349.00	217411.00	195832.00	42605.00	221611.00	213619.00	149248.00	237118.00
DL-pipecolic acid Esi+9.044999	355299.00	207152.00	139902.00	128899.00	157465.00	160538.00	249888.00	88194.00	1.00	1.00	76530.00	184451.00	158309.00	84849.00	292942.00	86076.00	1.00	187943.00	138484.00	121568.00	131136.00	105989.00	183863.00	167510.00
C23 H30 N2 O2	13651.00	11671.00	10158.00	10464.00	11679.00	10997.00	1.00	1.00	11878.00	13080.00	10110.00	10022.00	12679.00	12049.00	10186.00	10444.00	13226.00	12708.00	11383.00	10745.00	12918.00	11783.00	15318.00	14870.00
C18 H26 N4 O	1.00	1.00	18462.00	20670.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10986.00	11766.00	1.00	1.00	11769.00	13427.00	1.00	1.00	1.00	1.00	1.00	1.00
C22 H51 N4 O12	36360.00	36289.00	1.00	1.00	38869.00	35948.00	38089.00	1.00	37891.00	47760.00	33494.00	1.00	45219.00	27337.00	40122.00	35552.00	40107.00	37716.00	32730.00	39077.00	34518.00	1.00	36056.00	1.00
C14 H26 Cl	233059.00	251364.00	345277.00	220135.00	198061.00	178317.00	207925.00	401502.00	1.00	1.00	277052.00	226054.00	188776.00	252651.00	260480.00	236879.00	52341.00	184117.00	311568.00	232583.00	276471.00	237038.00	233181.00	296532.00
10-oxo-nonadecanoic acid Esi+1.052	38956.00	35354.00	48929.00	48245.00	59093.00	56694.00	73613.00	70729.00	34745.00	43431.00	55939.00	51839.00	38598.00	40953.00	53532.00	58618.00	31236.00	31482.00	41947.00	40756.00	45314.00	45881.00	42997.00	45181.00
C18 H33 N8	25958.00	26654.00	14628.00	1.00	27156.00	29473.00	1.00	1.00	23561.00	23748.00	42795.00	41900.00	29952.00	15875.00	37093.00	40670.00	15772.00	23500.00	20828.00	20530.00	27804.00	29727.00	35459.00	38081.00
C42 H50 N12 O9	1.00	1.00	1.00	1.00	11832.00	12715.00	12873.00	12083.00	17639.00	16496.00	1.00	1.00	12283.00	11228.00	1.00	1.00	11470.00	15570.00	1.00	1.00	11540.00	11074.00	1.00	1.00
Obtusilic acid Esi+1.2579998	75561.00	81230.00	90457.00	86191.00	114667.00	115236.00	112455.00	113761.00	43899.00	44115.00	160595.00	93202.00	62926.00	65631.00	73372.00	113345.00	73183.00	73462.00	54684.00	65409.00	84398.00	88737.00	88107.00	49707.00
C24 H55 N4 O13	1.00	1.00	1.00	1.00	27279.00	1.00	1.00	1.00	24557.00	27286.00	1.00	1.00	22822.00	26165.00	22561.00	24542.00	29500.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C12 H20 O3 Esi+1.5109999	25909.00	22648.00	1.00	1.00	28705.00	29181.00	1.00	1.00	1.00	1.00	43666.00	34818.00	19660.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	21653.00	1.00	24683.00	31151.00
8,9-dihydroxy-5,11,14-eicosatrienoic acid	71278.00	66660.00	60983.00	68708.00	94154.00	92621.00	57268.00	57993.00	65397.00	63826.00	91565.00	85885.00	74916.00	72426.00	96867.00	87713.00	74741.00	69689.00	63842.00	67306.00	79145.00	78262.00	94066.00	97443.00
C23 H34 N2 O6	19274.00	17848.00	14687.00	1.00	15597.00	13860.00	14753.00	15608.00	1.00	15058.00	15632.00	15418.00	17682.00	15904.00	14444.00	15863.00	1.00	1.00	16847.00	15830.00	14095.00	14767.00	14619.00	13891.00
C12 H22 N7	26769.00	14352.00	1.00	21814.00	16978.00	14430.00	23800.00	24011.00	54380.00	50744.00	23154.00	23273.00	30272.00	19323.00	18425.00	24216.00	19473.00	22119.00	20840.00	28947.00	22699.00	25044.00	31732.00	31807.00
C4 H2 N O3 S	291946.00	241861.00	182419.00	314319.00	300081.00	330152.00	335458.00	328226.00	166966.00	345467.00	314692.00	325544.00	270981.00	300349.00	350139.00	344960.00	609829.00	356109.00	243522.00	314540.00	356498.00	346927.00	183919.00	259192.00
C6 H8 Esi+1.2380004	36918.00	1.00	34315.00	39643.00	42895.00	36083.00	24811.00	37177.00	26297.00	1.00	59827.00	58393.00	30206.00	28463.00	76567.00	52046.00	31715.00	17176.00	15075.00	1.00	21914.00	19840.00	45623.00	47719.00
C14 H26 N7 O Esi+1.403	57972.00	26020.00	164110.00	94378.00	26618.00	38866.00	47142.00	31528.00	138303.00	58105.00	54694.00	32323.00	20127.00	45396.00	74298.00	28706.00	82363.00	36369.00	38694.00	52248.00	53618.00	46141.00	43373.00	43391.00
C11 H14 N7 O2	254604.00	59037.00	73379.00	135560.00	50794.00	63306.00	218903.00	136520.00	1.00	1.00	176593.00	1.00	221775.00	211272.00	186813.00	1.00	1.00	82933.00	1.00	198764.00	1.00	34141.00	153740.00	112596.00
C30 H30 N10 O	13101.00	14186.00	9696.00	11074.00	17353.00	15633.00	16565.00	14189.00	19209.00	15164.00	11606.00	9801.00	12177.00	11996.00	11008.00	10141.00	13694.00	16161.00	9789.00	1.00	12331.00	12393.00	1.00	1.00
His Lys Asp	11594.00	14135.00	1.00	1.00	16694.00	14101.00	11866.00	1.00	16702.00	15921.00	10560.00	10238.00	14007.00	15728.00	12193.00	1.00	14038.00	16677.00	11341.00	1.00	15023.00	15584.00	11571.00	1.00
C5 H14 N2 S	1.00	10345.00	10821.00	10821.00	11886.00	19735.00	11464.00	10655.00	14610.00	16899.00	13350.00	12210.00	10270.00	10323.00	12872.00	11041.00	11303.00	14863.00	9761.00	9716.00	1.00	1.00	9709.00	11389.00
C26 H49 N S	15795.00	1.00	18379.00	15696.00	36572.00	25304.00	14003.00	30650.00	35055.00	37841.00	38909.00	34142.00	28937.00	28268.00	68544.00	70150.00	36692.00	41855.00	21827.00	21943.00	1.00	1.00	32560.00	31905.00
C13 H33 N4 O3	1.00	16937.00	15637.00	15418.00	1.00	1.00	15046.00	14866.00	13675.00	1.00	22811.00	24427.00	15563.00	18136.00	1.00	18045.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C24 H30 N24	18347.00	20605.00	130095.00	127122.00	113612.00	116663.00	147224.00	143559.00	17583.00	18466.00	160793.00	151650.00	63653.00	70519.00	57226.00	54820.00	164123.00	45325.00	110798.00	115253.00	111481.00	115735.00	20530.00	18080.00
3,4-Dihydroxymandelonitrile	1.00	1.00	17117.00	61203.00	61741.00	26277.00	25627.00	19448.00	1.00	1.00	1.00	14898.00	22012.00	16174.00	19587.00	27651.00	23299.00	1.00	22810.00	17733.00	22166.00	19350.00	1.00	1.00
C6 H8 O6	11802.00	12446.00	1.00	9422.00	11303.00	11221.00	13905.00	13554.00	1.00	1.00	12449.00	10394.00	14215.00	14206.00	15754.00	14285.00	18859.00	13028.00	12867.00	11963.00	15871.00	14024.00	1.00	1.00
C19 H24 N20 O3	16076.00	14660.00	1.00	1.00	1.00	1.00	1.00	1.00	19106.00	18201.00	1.00	1.00	16892.00	15445.00	1.00	1.00	13736.00	14511.00	1.00	1.00	10616.00	12349.00	12151.00	10318.00
C16 H26 O2	1.00	1.00	1.00	1.00	29603.00	14217.00	1.00	1.00	12195.00	13159.00	31465.00	17396.00	15087.00	15554.00	26533.00	27979.00	1.00	26086.00	1.00	1.00	1.00	1.00	1.00	1.00
C8 H8 N4 O2 S	16074.00	17031.00	15821.00	1.00	17644.00	15708.00	15813.00	15531.00	1.00	1.00	21612.00	20116.00	13785.00	15532.00	20328.00	20831.00	1.00	1.00	14725.00	13356.00	18763.00	20700.00	17770.00	17101.00
C29 H39 N10 O Esi+6.5489984	325986.00	306570.00	14848.00	15677.00	13490.00	13101.00	1.00	1.00	106022.00	106431.00	1.00	13638.00	97219.00	84948.00	46863.00	30979.00	120814.00	35964.00	1.00	1.00	1.00	1.00	1.00	1.00
9-undecynoic acid Esi+1.243 :1	101199.00	96268.00	96737.00	93468.00	135537.00	142525.00	123814.00	118073.00	72018.00	73048.00	182822.00	175833.00	118378.00	135890.00	161480.00	166336.00	78069.00	80319.00	81841.00	82843.00	119050.00	111171.00	107241.00	116474.00
C52 H97 N11	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12249.00	14212.00	1.00	1.00	11154.00	11899.00	13397.00	13865.00	1.00	1.00	1.00	1.00	1.00	1.00	18905.00	18941.00
4-Heptyloxyphenol Esi+1.2439996	68424.00	70015.00	73945.00	21946.00	86326.00	81186.00	74595.00	79610.00	75893.00	80854.00	76241.00	73414.00	86172.00	89776.00	100750.00	101778.00	63381.00	67061.00	86655.00	90060.00	84716.00	81375.00	82531.00	78287.00
2?-(3-Hydroxypropyl)-1?,25-dihydroxy-19-norvitamin D3	19246.00	22549.00	1.00	14449.00	1.00	1.00	1.00	1.00	16010.00	16402.00	1.00	1.00	14140.00	1.00	14717.00	1.00	103757.00	181927.00	1.00	1.00	1.00	1.00	1.00	70418.00
4-Heptyloxyphenol Esi+1.1329998	50836.00	75050.00	113225.00	106738.00	85967.00	107191.00	81440.00	80264.00	98914.00	93603.00	136167.00	74979.00	191587.00	182749.00	102595.00	103168.00	130817.00	127067.00	143538.00	144430.00	314539.00	255754.00	83462.00	78903.00
C5 H11 N O2	17025.00	16822.00	21301.00	15973.00	19212.00	21930.00	16905.00	20174.00	1.00	1.00	16030.00	17119.00	18529.00	18816.00	16337.00	15079.00	21441.00	20703.00	19105.00	20435.00	23226.00	19058.00	1.00	13829.00
2,4,7-tridecatrienal Esi+1.2210003	32542.00	34594.00	39487.00	37506.00	42157.00	17206.00	32710.00	34399.00	29379.00	31774.00	53098.00	50126.00	41697.00	41646.00	21495.00	50387.00	28051.00	34521.00	32421.00	31610.00	40600.00	20584.00	42331.00	26481.00
C20 H50 N6 O8	126892.00	24009.00	17459.00	123230.00	40462.00	39586.00	21142.00	120981.00	83409.00	140534.00	18018.00	35861.00	42621.00	119804.00	22405.00	23049.00	25017.00	17412.00	17619.00	120384.00	123981.00	139130.00	19956.00	129627.00
C20 H40 N3 O2 Esi+1.09	1.00	21227.00	1.00	1.00	1.00	12360.00	34171.00	65787.00	1.00	17208.00	72879.00	92596.00	53216.00	1.00	47743.00	19725.00	1.00	1.00	1.00	1.00	1.00	12902.00	12038.00	15673.00
C21 H38 N18 O8	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	21134.00	22533.00	1.00	1.00	25413.00	26583.00	1.00	1.00	23193.00	25310.00	1.00	1.00	24342.00	15102.00	13301.00	17277.00
Acetone cyanohydrin Esi+5.758001 :1	1.00	44284.00	37871.00	42107.00	33844.00	36684.00	36924.00	42046.00	71638.00	75084.00	56515.00	45844.00	56074.00	40716.00	26056.00	54926.00	1.00	56523.00	29266.00	64420.00	56259.00	66952.00	40652.00	50483.00
C10 H5 Cl N O6	10972.00	10217.00	1.00	1.00	11887.00	11134.00	12345.00	12310.00	1.00	1.00	1.00	1.00	10003.00	11509.00	1.00	9653.00	17920.00	15329.00	11377.00	11601.00	10547.00	11111.00	1.00	1.00
9-tridecynoic acid	425225.00	1.00	79310.00	42371.00	92423.00	91361.00	244388.00	257515.00	46499.00	82619.00	122362.00	120172.00	127880.00	133483.00	136860.00	118805.00	99350.00	88881.00	93835.00	93606.00	188257.00	172956.00	222142.00	199345.00
C18 H26 N3 O13	12620.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	19039.00	16127.00	17892.00	15751.00	92825.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
3'-Hydroxyminoxidil Esi+2.8730001	42567.00	46791.00	23782.00	23651.00	29142.00	27900.00	37536.00	34200.00	1.00	1.00	36123.00	46178.00	20882.00	21300.00	16780.00	16745.00	1.00	27745.00	28820.00	30260.00	28403.00	27781.00	77325.00	91556.00
Trigonelloside C	10329.00	9929.00	14696.00	11808.00	9061.00	1.00	14730.00	14941.00	9778.00	9863.00	14644.00	15688.00	11568.00	11569.00	14042.00	14926.00	1.00	9979.00	14217.00	13135.00	13452.00	13047.00	13252.00	12024.00
C14 H26 N2 O3	13113.00	25726.00	1.00	28972.00	25924.00	39600.00	31254.00	1.00	31549.00	20969.00	15907.00	16972.00	16055.00	27772.00	1.00	32093.00	1.00	19930.00	1.00	28460.00	34105.00	26664.00	16772.00	15480.00
C32 H61 N4 O S2	23593.00	20380.00	27561.00	22506.00	24934.00	27582.00	32081.00	18979.00	39810.00	30902.00	13603.00	15961.00	24280.00	26093.00	23798.00	22417.00	27069.00	28150.00	17326.00	14462.00	22194.00	22411.00	24297.00	30574.00
C28 H59 N11 O4 Esi+1.653	46496.00	50622.00	49350.00	49047.00	100461.00	64842.00	81039.00	85804.00	66133.00	73009.00	54070.00	54084.00	109936.00	98916.00	76145.00	66837.00	34645.00	67233.00	37742.00	66563.00	78150.00	45691.00	1.00	1.00
1,4-Dioxane Esi+1.5040003	105042.00	107855.00	25817.00	25725.00	119650.00	24971.00	148495.00	28813.00	54823.00	58211.00	28312.00	27650.00	23750.00	19859.00	122639.00	26105.00	19552.00	24086.00	21303.00	20411.00	23523.00	144630.00	70200.00	23573.00
Dihydrojasmonic Acid, Methyl Ester Esi+1.1270003 :1	54851.00	53840.00	63878.00	67302.00	83715.00	82220.00	59910.00	54592.00	68567.00	71976.00	101665.00	100193.00	102447.00	102322.00	107925.00	105248.00	78224.00	87474.00	81377.00	78803.00	151878.00	136843.00	173135.00	154669.00
C7 H7 N	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13225.00	13128.00	16011.00	15414.00	1.00	1.00	15093.00	15634.00	18887.00	19821.00	1.00	1.00
C33 H47 O2	1.00	1.00	1.00	1.00	13287.00	17768.00	1.00	1.00	16050.00	15216.00	1.00	1.00	11832.00	13721.00	1.00	1.00	18214.00	19958.00	1.00	1.00	1.00	1.00	1.00	1.00
C9 H17 N3 O Esi+5.386001	296258.00	315774.00	312844.00	441442.00	272631.00	245283.00	230754.00	35516.00	343432.00	52515.00	21452.00	292703.00	104142.00	312313.00	222735.00	325976.00	232405.00	280409.00	320788.00	310251.00	237934.00	78541.00	323327.00	312902.00
2-Hydroxyfluorene	1.00	1.00	14319.00	10637.00	1.00	1.00	60885.00	1.00	13509.00	14317.00	14995.00	9683.00	14134.00	49832.00	18832.00	11116.00	57175.00	9372.00	11055.00	20243.00	23898.00	1.00	13586.00	16352.00
?-Hexalactone Esi+1.1732147	81776.00	76620.00	68174.00	53425.00	111477.00	69739.00	64853.00	69179.00	119052.00	117029.00	159363.00	164615.00	97381.00	89065.00	82142.00	90982.00	72120.00	98153.00	94146.00	87214.00	67147.00	56030.00	107390.00	115610.00
4-Vinylcyclohexene Esi+1.2390001	45025.00	45350.00	65226.00	51711.00	54441.00	59373.00	51088.00	52240.00	35401.00	39490.00	71513.00	69272.00	58366.00	79786.00	54636.00	56155.00	37136.00	41246.00	33966.00	65105.00	55826.00	53452.00	48239.00	55303.00
C14 H30 Cl3 N5 S	1.00	1.00	10291.00	11149.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10113.00	12398.00	17136.00	15079.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C11 H20 O2 Esi+1.4115	52438.00	46785.00	1.00	1.00	37843.00	1.00	38184.00	42292.00	1.00	1.00	57858.00	45943.00	30475.00	27021.00	63525.00	43012.00	1.00	101008.00	1.00	1.00	44392.00	35320.00	1.00	1.00
C16 H41 Cl N7	26530.00	24069.00	21382.00	1.00	30241.00	33121.00	24823.00	23487.00	1.00	1.00	42598.00	47126.00	33294.00	39187.00	39246.00	37290.00	23075.00	1.00	29608.00	28957.00	27567.00	30433.00	31486.00	35955.00
5Z,9Z-Tridecadienyl acetate Esi+1.1299996 :1	41647.00	42296.00	50090.00	51050.00	105753.00	53632.00	78518.00	72909.00	21849.00	21071.00	76961.00	82345.00	27143.00	73678.00	91346.00	44281.00	17175.00	45378.00	24039.00	21517.00	76150.00	42413.00	83647.00	51055.00
C26 H42 O4 Esi+2.058	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	19622.00	23437.00	1.00	1.00	20924.00	1.00	1.00	1.00	40376.00	1.00	1.00	1.00	26351.00	1.00	1.00	1.00
10-Hydroxy-3,7-dimethyl-2E,6E-decadienoic acid	115114.00	54482.00	77476.00	78460.00	122169.00	128340.00	113231.00	24862.00	14909.00	62503.00	111415.00	25951.00	18240.00	123760.00	62868.00	19081.00	78885.00	14940.00	62642.00	68208.00	20126.00	121476.00	57102.00	22914.00
C4 H8 O	1.00	15962.00	19901.00	18991.00	1.00	1.00	16780.00	16227.00	17150.00	17586.00	19835.00	19442.00	15977.00	17668.00	17836.00	21011.00	11974.00	16694.00	17921.00	18973.00	16139.00	17946.00	19989.00	20839.00
l-2-hydroxy-decanoic acid Esi+1.2479998 :1	40473.00	20579.00	50481.00	54886.00	62086.00	59308.00	41497.00	16553.00	50770.00	45204.00	79305.00	101590.00	55507.00	24885.00	61083.00	76270.00	42866.00	44494.00	38062.00	38937.00	51521.00	48204.00	65938.00	61867.00
C9 H19 N8	30395.00	35314.00	22873.00	20938.00	29456.00	27003.00	37160.00	38601.00	26956.00	26269.00	38350.00	36047.00	18741.00	28799.00	36102.00	33124.00	1.00	1.00	28967.00	22712.00	33402.00	36444.00	25248.00	34579.00
4'-Hydroxytrimethoprim Esi+1.0839998 :1	377501.00	111587.00	229530.00	208339.00	348016.00	330177.00	144563.00	153860.00	168919.00	125602.00	281978.00	289984.00	193499.00	202366.00	220401.00	218812.00	289200.00	168887.00	239941.00	226030.00	212897.00	223777.00	380077.00	347661.00
C12 H20 O3 Esi+1.3199998	29209.00	30786.00	47473.00	49358.00	37042.00	115428.00	49435.00	104912.00	39266.00	81652.00	36763.00	120048.00	40396.00	103785.00	98329.00	63049.00	93317.00	51952.00	37364.00	42021.00	31582.00	28968.00	36175.00	112061.00
C17 H25 N5 O2	1.00	1.00	11013.00	12665.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12422.00	1.00	1.00	1.00	14640.00	13549.00	1.00	1.00	1.00	1.00	1.00	1.00
C7 H10 N4 O Esi+2.94	1.00	1.00	1.00	1.00	14222.00	19621.00	32506.00	23460.00	1.00	1.00	30367.00	47526.00	17020.00	1.00	1.00	1.00	1.00	32493.00	16931.00	13761.00	40389.00	36400.00	1.00	1.00
C5 H6 N5	11452.00	1.00	11830.00	11717.00	12869.00	11686.00	1.00	1.00	17468.00	18007.00	1.00	14114.00	11777.00	1.00	1.00	11654.00	15017.00	12235.00	12257.00	11346.00	12287.00	11742.00	14706.00	16779.00
2-Dehydro-3-deoxy-L-rhamnonate Esi+2.6469998	104334.00	153416.00	156427.00	103451.00	66815.00	196480.00	85372.00	67072.00	1.00	1.00	151466.00	178033.00	114411.00	154699.00	71928.00	168517.00	1099111.00	120656.00	68626.00	60384.00	121100.00	114304.00	221451.00	216792.00
C24 H45 N O3	1.00	47555.00	25210.00	13779.00	1.00	16016.00	100117.00	29320.00	54932.00	15249.00	236478.00	15623.00	25814.00	54644.00	31924.00	20679.00	19694.00	46466.00	1.00	158165.00	19215.00	83336.00	133374.00	24087.00
Mirasan	20487.00	50047.00	1.00	1.00	33762.00	19879.00	54786.00	56895.00	46582.00	41925.00	71939.00	52044.00	51201.00	43284.00	59685.00	53106.00	44194.00	22396.00	1.00	1.00	53907.00	52295.00	48779.00	49836.00
Obtusilic acid Esi+1.1550003 :1	79107.00	72462.00	36441.00	39386.00	63384.00	88440.00	85584.00	91118.00	73697.00	51158.00	166539.00	166951.00	91799.00	98545.00	123255.00	112871.00	30780.00	31972.00	78837.00	35893.00	90124.00	88233.00	96609.00	87470.00
C23 H41 N Esi+3.7669995	1.00	1.00	1.00	1.00	54661.00	53826.00	1.00	1.00	31476.00	30306.00	1.00	1.00	98883.00	99770.00	16116.00	1.00	1.00	50286.00	1.00	1.00	1.00	1.00	1.00	1.00
C9 H8 O2 Esi+1.163	1.00	1.00	10659.00	10131.00	9798.00	1.00	12801.00	11041.00	12876.00	14435.00	16772.00	13889.00	12026.00	13255.00	13640.00	15038.00	1.00	1.00	10241.00	1.00	10949.00	10248.00	12103.00	11284.00
C5 H11 N3 Esi+5.4259996	151065.00	149918.00	169559.00	206649.00	158741.00	166442.00	131241.00	155155.00	139780.00	155070.00	165918.00	136361.00	145161.00	136880.00	146682.00	178496.00	247292.00	169437.00	147146.00	153131.00	167083.00	153287.00	156568.00	152185.00
C10 H14 N6 O5 Esi+1.477222	18294.00	1.00	46665.00	1.00	95123.00	121838.00	94240.00	1.00	139720.00	139895.00	1.00	1.00	21229.00	1.00	59061.00	61660.00	118237.00	19102.00	57947.00	67821.00	1.00	1.00	1.00	22580.00
4-Vinylcyclohexene Esi+1.24	46553.00	47426.00	72571.00	51518.00	42921.00	55861.00	52722.00	54770.00	34014.00	40726.00	76862.00	65701.00	61383.00	60987.00	60604.00	63950.00	41657.00	40278.00	36407.00	47188.00	54300.00	55551.00	43603.00	54701.00
C24 H30 O7	36997.00	40739.00	33342.00	31228.00	62791.00	63179.00	25148.00	26978.00	64279.00	23885.00	40500.00	50433.00	61476.00	52843.00	52383.00	45584.00	61532.00	79598.00	50059.00	52796.00	55129.00	60887.00	49668.00	51055.00
C11 H19 N O12 S	1.00	1.00	1.00	1.00	11815.00	12418.00	10378.00	11408.00	11775.00	11572.00	11936.00	11170.00	10771.00	11461.00	13068.00	14007.00	11863.00	10361.00	10380.00	9816.00	12765.00	11855.00	1.00	1.00
C20 H34 Cl N	15359.00	16842.00	1.00	39586.00	24194.00	31780.00	23167.00	25760.00	1.00	12896.00	32490.00	36372.00	20198.00	19479.00	25455.00	23184.00	15485.00	1.00	1.00	13833.00	21164.00	17727.00	1.00	13050.00
C9 H17 N3 O Esi+5.5080004	33074.00	1.00	1.00	84320.00	1.00	81327.00	1.00	26767.00	351054.00	52515.00	21452.00	26276.00	83419.00	1.00	88031.00	1.00	1.00	1.00	1.00	16355.00	1.00	1.00	1.00	1.00
15-HETE-G	91307.00	94940.00	92377.00	91881.00	116338.00	116086.00	74872.00	74284.00	102460.00	99532.00	98827.00	103916.00	97715.00	97714.00	123535.00	123712.00	98502.00	126690.00	111202.00	116494.00	124627.00	115063.00	158879.00	162168.00
C4 H10 N3 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	14179.00	20456.00	13434.00	1.00	29034.00	1.00	18328.00	14828.00	21230.00	14371.00	1.00	1.00
p-Hydroxynorpseudoephedrine	31991.00	31110.00	51755.00	51904.00	38406.00	38296.00	38939.00	28718.00	21465.00	20196.00	30854.00	29861.00	32213.00	36086.00	36094.00	29106.00	33067.00	37170.00	33386.00	33603.00	38001.00	33960.00	32157.00	34340.00
C35 H57 N15	8792.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11742.00	12452.00	1.00	1.00	14270.00	15265.00	1.00	1.00	1.00	9642.00	1.00	1.00	1.00	1.00	1.00	1.00
His-His-OH	11600.00	12452.00	11830.00	13092.00	12910.00	10667.00	15216.00	14132.00	13150.00	11808.00	14193.00	12286.00	11760.00	11932.00	12690.00	11827.00	1.00	9239.00	10261.00	9589.00	11512.00	10631.00	14343.00	14085.00
C15 H24 N Esi+1.25	1.00	33449.00	19861.00	22902.00	39465.00	76272.00	1.00	29768.00	24511.00	24464.00	28134.00	26305.00	41111.00	42689.00	44757.00	42896.00	23986.00	23556.00	18888.00	19845.00	34272.00	87222.00	1.00	93435.00
C11 H6 N O5 S Esi+0.98200023	196276.00	177589.00	120264.00	70073.00	128768.00	45052.00	129784.00	126066.00	1.00	80172.00	121212.00	135220.00	132369.00	56680.00	204592.00	47706.00	129103.00	73021.00	120958.00	131207.00	80216.00	122705.00	76687.00	214819.00
C18 H39 N4 O2	1.00	1.00	1.00	1.00	28551.00	29997.00	17288.00	1.00	1.00	1.00	17762.00	21352.00	18339.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C38 H65 N8	16378.00	15482.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	15470.00	15343.00	11373.00	10441.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C13 H25 N7 O9 Esi+3.1209996	33051.00	33724.00	41252.00	38747.00	30512.00	32571.00	27562.00	26370.00	1.00	1.00	21818.00	1.00	42689.00	37203.00	57081.00	42553.00	1.00	1.00	22649.00	25955.00	1.00	1.00	21833.00	20512.00
C8 H19 N4 O8	1.00	1.00	11985.00	11591.00	14364.00	13191.00	12970.00	1.00	1.00	1.00	13819.00	15398.00	12522.00	1.00	13738.00	1.00	1.00	15570.00	13829.00	14133.00	1.00	13754.00	14394.00	14399.00
23-methyl-5Z,9Z-tetracosadienoic acid	15011.00	16769.00	29028.00	26764.00	33023.00	22008.00	25877.00	29246.00	21407.00	23234.00	15198.00	30187.00	26963.00	24070.00	20482.00	17744.00	25541.00	26525.00	1.00	1.00	16359.00	14011.00	27556.00	23092.00
Glucolepidiin Esi+2.819 :1	408856.00	71411.00	182510.00	458160.00	429487.00	160297.00	447974.00	441997.00	1.00	1.00	177918.00	467604.00	466944.00	173231.00	464626.00	437812.00	1.00	90826.00	444702.00	443788.00	445645.00	439160.00	363448.00	358591.00
C32 H61 N O3 S Esi+1.246	22617.00	21221.00	13344.00	19727.00	30140.00	28297.00	19793.00	17297.00	38504.00	41516.00	16114.00	17975.00	30200.00	27220.00	35176.00	33072.00	42204.00	45350.00	22590.00	20633.00	26335.00	20240.00	25881.00	25374.00
(3R)-3-isopropenyl-6-oxoheptanoic acid Esi+1.246	35962.00	29407.00	47247.00	48721.00	40622.00	26906.00	43397.00	38524.00	52147.00	55101.00	32074.00	28640.00	45626.00	30626.00	42652.00	25612.00	45169.00	39119.00	31773.00	26204.00	41504.00	40364.00	34413.00	48813.00
Methyl acetyl ricinoleate Esi+1.1219999	215867.00	220125.00	193933.00	188952.00	278965.00	273939.00	178740.00	175941.00	250194.00	256875.00	230893.00	225915.00	228381.00	229904.00	288760.00	284000.00	243254.00	249848.00	242669.00	242824.00	280001.00	287086.00	369621.00	381659.00
C13 H20 N	57213.00	62961.00	60750.00	64587.00	71437.00	69274.00	78518.00	81406.00	50300.00	50982.00	77731.00	84216.00	71126.00	71720.00	73925.00	71730.00	67139.00	66200.00	56461.00	62659.00	66042.00	69670.00	59177.00	147402.00
Ancitabine Esi+1.2299997	171049.00	171186.00	179406.00	178784.00	174028.00	168874.00	218517.00	213169.00	275875.00	282695.00	153590.00	156897.00	140735.00	142755.00	137179.00	137021.00	167077.00	178701.00	152958.00	146398.00	157392.00	158049.00	148083.00	147146.00
C27 H41 N18 O4 Esi+1.0419999	1116991.00	1106589.00	854811.00	820331.00	884537.00	767865.00	706486.00	704929.00	1345751.00	1331919.00	853513.00	829882.00	1215176.00	1216015.00	935819.00	940363.00	929653.00	1173159.00	791680.00	795081.00	1176566.00	1163051.00	1199729.00	1205422.00
(2R)-2-Hydroxy-2-methylbutanenitrile Esi+1.7970006 :1	284252.00	276352.00	521926.00	511272.00	283680.00	260171.00	80444.00	105099.00	24508.00	17469.00	253434.00	251050.00	275667.00	247660.00	493259.00	505869.00	451607.00	398752.00	309885.00	296314.00	316361.00	312726.00	185325.00	172923.00
2-oxo-dodecanoic acid Esi+1.24	81170.00	70869.00	64655.00	68851.00	93152.00	53616.00	93996.00	85894.00	61464.00	40757.00	90093.00	154145.00	70413.00	83188.00	110704.00	74924.00	53991.00	59965.00	37601.00	42936.00	89966.00	60295.00	79604.00	85280.00
C22 H39 N11 Esi+1.2129999 :1	192361.00	706628.00	802168.00	722557.00	123311.00	120687.00	795148.00	1146271.00	490155.00	499956.00	161575.00	671380.00	60740.00	449090.00	208298.00	158374.00	202968.00	713905.00	699695.00	743083.00	718762.00	721233.00	1339880.00	809748.00
C20 H41 N4 O3	1.00	1.00	38124.00	35392.00	26400.00	31066.00	31007.00	26659.00	27939.00	28780.00	12185.00	47137.00	47485.00	33067.00	51939.00	40696.00	30985.00	34123.00	41320.00	39297.00	67835.00	60648.00	76026.00	78854.00
C26 H59 N4 O14	1.00	1.00	1.00	1.00	17323.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	20819.00	16679.00	15156.00	14171.00	15046.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(-)-Kanshone A Esi+1.1280001	32352.00	31081.00	28150.00	25082.00	20868.00	21654.00	42288.00	39641.00	12465.00	21643.00	47233.00	46867.00	37931.00	14835.00	47287.00	44510.00	21476.00	27718.00	34199.00	20290.00	41836.00	43471.00	49236.00	47923.00
C25 H50 Cl N3 S	15255.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	15364.00	1.00	1.00	28361.00	1.00	1.00	1.00	27246.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C13 H25 N O2 Esi+1.222 :1	344876.00	393535.00	98950.00	106751.00	549864.00	533496.00	153125.00	168113.00	343112.00	346979.00	316967.00	326206.00	617875.00	660259.00	543332.00	570755.00	248096.00	279974.00	188538.00	222661.00	259429.00	255173.00	304052.00	345017.00
C7 H7 O3 S	148539.00	140482.00	134143.00	126547.00	111464.00	112614.00	125834.00	127195.00	131539.00	128732.00	127227.00	89466.00	108256.00	119626.00	120093.00	106307.00	135917.00	121260.00	110508.00	111144.00	116592.00	110656.00	122967.00	103313.00
C22 H47 N4 O2 Esi+4.111	1.00	1.00	12557.00	13879.00	1.00	1.00	1.00	1.00	1.00	10524.00	1.00	1.00	11864.00	11303.00	1.00	1.00	128261.00	138401.00	1.00	1.00	1.00	1.00	1.00	1.00
1?,3?,4?-p-menthane-3,8-diol	22702.00	23334.00	25316.00	30970.00	22009.00	19557.00	22562.00	20501.00	20421.00	22741.00	38195.00	53823.00	26402.00	32120.00	24017.00	25830.00	24374.00	21678.00	23328.00	21149.00	22595.00	24734.00	22543.00	29203.00
C10 H14 N6 O5 Esi+3.9179997	101327.00	99947.00	1.00	1.00	66089.00	1.00	27526.00	56394.00	1.00	1.00	1.00	82675.00	132978.00	80019.00	85704.00	37772.00	1.00	1.00	88600.00	89511.00	67278.00	47038.00	48298.00	81995.00
7Z-dodecenoic acid	86276.00	86634.00	73140.00	69044.00	106130.00	107998.00	79776.00	84690.00	61166.00	64494.00	157438.00	153044.00	92767.00	66658.00	118529.00	117012.00	67863.00	65895.00	57012.00	62651.00	93210.00	90390.00	104239.00	103917.00
Dibutyl succinate Esi+1.25	52020.00	51016.00	50413.00	50106.00	61497.00	53024.00	47937.00	47918.00	20256.00	34145.00	28044.00	73952.00	39251.00	48330.00	63338.00	63854.00	47239.00	62125.00	44085.00	20431.00	58400.00	55831.00	52359.00	17912.00
C13 H21 N8 O2 Esi+0.809	162007.00	167743.00	173956.00	174582.00	157358.00	161234.00	168480.00	169257.00	164715.00	1.00	1.00	167489.00	165008.00	161522.00	164616.00	158313.00	162589.00	148972.00	160174.00	1.00	164932.00	157796.00	157633.00	1.00
C47 H29 N O Esi+1.0060004	32335.00	32503.00	32435.00	32026.00	27359.00	21597.00	26100.00	24863.00	25501.00	26427.00	38811.00	39378.00	26607.00	24724.00	25416.00	26762.00	27074.00	29903.00	35218.00	37435.00	30887.00	30260.00	28850.00	33212.00
Tetradecylamine Esi+4.0070014	82124.00	46785.00	65862.00	65774.00	73764.00	63938.00	83866.00	57156.00	19821.00	16623.00	79133.00	76373.00	74436.00	69626.00	70510.00	81407.00	38310.00	58665.00	1.00	44785.00	69850.00	81464.00	74260.00	56155.00
C28 H59 N11 O4 Esi+1.646	32160.00	25748.00	49350.00	49047.00	100461.00	102120.00	81039.00	85804.00	42757.00	36875.00	54070.00	54084.00	109936.00	98916.00	76145.00	66837.00	34645.00	39088.00	25337.00	66563.00	78150.00	28883.00	62425.00	63224.00
N?,N?,N?-Trimethyllysine Esi+9.748996	370282.00	248982.00	55759.00	47525.00	61287.00	60726.00	66929.00	29073.00	143131.00	149197.00	44827.00	93777.00	66011.00	43244.00	111579.00	38204.00	6258266.00	64103.00	52825.00	52662.00	61876.00	49257.00	70701.00	75070.00
C15 H24 N Esi+1.2469999	40443.00	35525.00	22474.00	29692.00	101671.00	46970.00	36219.00	34788.00	23807.00	23164.00	68301.00	59585.00	32357.00	50580.00	50762.00	51677.00	29302.00	30262.00	22779.00	1.00	94393.00	83299.00	99958.00	101668.00
C10 H14 N6 O5 Esi+0.694	1.00	1.00	97351.00	1.00	17569.00	95094.00	1.00	1.00	1.00	1.00	1.00	1.00	88474.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	99354.00	1.00	1.00
C9 H14 Esi+1.1329999	50266.00	51296.00	68876.00	72505.00	53891.00	22718.00	35713.00	60014.00	45033.00	39889.00	73169.00	74492.00	47905.00	1.00	64578.00	70123.00	49802.00	49099.00	47174.00	44414.00	65708.00	66353.00	46328.00	55927.00
C30 H63 N11 O5 Esi+1.8289996	78676.00	77581.00	51184.00	46536.00	99172.00	101340.00	73642.00	69307.00	107091.00	104689.00	54210.00	54321.00	102935.00	95563.00	72728.00	69965.00	18398.00	104726.00	65022.00	68294.00	75711.00	73927.00	64765.00	65755.00
C29 H57 N18 O Esi+1.247	291612.00	293225.00	51311.00	294345.00	291626.00	53453.00	50195.00	51601.00	303790.00	67424.00	290025.00	277091.00	312163.00	289508.00	289491.00	56665.00	55615.00	299479.00	89867.00	58042.00	59408.00	56251.00	296344.00	283804.00
C24 H43 N4 O3 Esi+1.7341335	1.00	1.00	38979.00	1.00	230257.00	1.00	237614.00	1.00	1.00	1.00	1.00	1.00	256052.00	248140.00	83218.00	229915.00	248750.00	1.00	143985.00	29171.00	71893.00	37847.00	44537.00	66634.00
10-Hydroxy-3,7-dimethyl-2E,6E-decadienoic acid Esi+1.3069996	116067.00	54482.00	77139.00	78197.00	124424.00	128904.00	113538.00	24862.00	14909.00	62817.00	111172.00	26128.00	18240.00	124021.00	138467.00	19633.00	78885.00	14940.00	66297.00	68208.00	20787.00	122329.00	57365.00	23113.00
C16 H35 N Esi+4.0639997	1.00	118157.00	127977.00	107137.00	103684.00	1.00	70173.00	1.00	1.00	1.00	128542.00	1.00	88540.00	88863.00	95485.00	1.00	52310.00	1.00	124581.00	76451.00	126236.00	147775.00	96076.00	118715.00
Ripazepam	17292.00	20076.00	1.00	1.00	1.00	1.00	1.00	1.00	28984.00	26173.00	1.00	1.00	19627.00	1.00	1.00	1.00	15615.00	22592.00	1.00	1.00	1.00	1.00	1.00	1.00
3-hexenedial Esi+1.153 :1	35263.00	45220.00	47511.00	55029.00	31438.00	39620.00	14096.00	33201.00	209836.00	212129.00	61275.00	57410.00	61319.00	56372.00	44118.00	40780.00	41289.00	52636.00	66191.00	62348.00	44683.00	42331.00	85423.00	78886.00
C45 H49 N14 O2	1.00	1.00	1.00	1.00	10939.00	10220.00	1.00	1.00	1.00	10668.00	1.00	1.00	9896.00	9417.00	1.00	1.00	10497.00	11741.00	1.00	1.00	9818.00	10394.00	10126.00	9933.00
C16 H27 N2 O2	31554.00	1.00	1.00	1.00	31236.00	1.00	1.00	1.00	27181.00	1.00	52079.00	51999.00	31829.00	30391.00	1.00	1.00	1.00	29602.00	1.00	1.00	1.00	1.00	1.00	19566.00
C9 H14 Esi+1.132	50227.00	51296.00	68876.00	72505.00	53891.00	22718.00	23883.00	62588.00	45033.00	43751.00	73169.00	74492.00	49750.00	1.00	64651.00	80450.00	49547.00	49099.00	47174.00	44414.00	65708.00	66865.00	46601.00	55927.00
C21 H49 N4 O6	1.00	1.00	1.00	1.00	12462.00	1.00	1.00	1.00	12252.00	13592.00	1.00	1.00	12170.00	11298.00	1.00	1.00	14895.00	14441.00	1.00	1.00	1.00	1.00	1.00	1.00
(24S)-1?,24-dihydroxy-22-oxa-20-epivitamin D3 / (24S)-1?,24-dihydroxy-22-oxa-20-epicholecalciferol Esi+1.0459996	35221.00	33444.00	30238.00	38207.00	100637.00	93872.00	71758.00	47774.00	34285.00	45544.00	53356.00	56486.00	111389.00	117036.00	45083.00	36321.00	25587.00	32102.00	39661.00	38157.00	32486.00	24820.00	45403.00	47209.00
C14 H26 N7 O Esi+1.396	29741.00	60108.00	144230.00	155248.00	30491.00	43011.00	29499.00	30207.00	63694.00	40923.00	16655.00	42460.00	24844.00	15262.00	36438.00	27840.00	78380.00	62405.00	153023.00	34538.00	62401.00	38074.00	51836.00	35803.00
C7 H10 Esi+1.0909997 :1	66426.00	66931.00	73011.00	63070.00	80786.00	77478.00	57408.00	72856.00	59448.00	56814.00	100160.00	103658.00	81261.00	56252.00	85525.00	33824.00	74148.00	78325.00	58138.00	57019.00	75923.00	61317.00	85782.00	82030.00
C23 H49 N11 O2	14776.00	18602.00	1.00	1.00	21086.00	21067.00	1.00	27099.00	25356.00	20922.00	1.00	25518.00	19327.00	14220.00	78515.00	12368.00	59492.00	21243.00	13133.00	34032.00	15118.00	14875.00	44448.00	13442.00
C19 H42 N2 O5	22539.00	227426.00	56022.00	1.00	38864.00	49959.00	16041.00	29865.00	14307.00	68513.00	39964.00	34246.00	53673.00	28236.00	59029.00	237935.00	24738.00	1.00	112354.00	1.00	31520.00	58017.00	240938.00	34715.00
17,20-dimethyl Prostaglandin F1?	50527.00	139741.00	103318.00	159261.00	59847.00	164096.00	65259.00	44849.00	1.00	270488.00	27204.00	1.00	92096.00	58542.00	63464.00	186261.00	1.00	195214.00	46783.00	167436.00	43107.00	39152.00	66501.00	144196.00
C25 H31 N8 O2	1.00	17146.00	1.00	1.00	20359.00	1.00	22029.00	11091.00	18649.00	20646.00	1.00	1.00	16576.00	17978.00	1.00	1.00	18818.00	17893.00	1.00	1.00	17558.00	1.00	1.00	19103.00
C28 H47 N3 O6 Esi+6.572999	210586.00	209367.00	15664.00	16409.00	15910.00	14379.00	1.00	1.00	109380.00	115113.00	12776.00	12227.00	83733.00	78290.00	31735.00	28512.00	145871.00	32853.00	1.00	1.00	1.00	1.00	1.00	1.00
8Z-undecenoic acid Esi+1.3006154	68520.00	61569.00	1.00	18963.00	42658.00	23466.00	34974.00	35564.00	29045.00	16551.00	60734.00	31775.00	59231.00	36334.00	71795.00	50803.00	34210.00	40903.00	33710.00	18442.00	40830.00	48101.00	40392.00	37323.00
C7 H12 O	53214.00	53276.00	47865.00	47683.00	63864.00	62605.00	48544.00	50267.00	42528.00	39951.00	95521.00	93912.00	56076.00	57074.00	66870.00	72761.00	43137.00	47205.00	42356.00	37345.00	68649.00	59411.00	69159.00	65138.00
7-nonynoic acid Esi+1.254	39877.00	45096.00	45989.00	46173.00	73492.00	77024.00	82387.00	77046.00	35119.00	38513.00	81460.00	80254.00	63025.00	63804.00	42811.00	69846.00	38405.00	38162.00	52774.00	59808.00	47442.00	44148.00	43415.00	42968.00
l-2-hydroxy-decanoic acid Esi+1.2479998 :2	36038.00	34781.00	46412.00	41166.00	37252.00	53583.00	36401.00	53260.00	41703.00	39356.00	70399.00	73587.00	45818.00	36371.00	54465.00	68815.00	35986.00	39864.00	32055.00	32248.00	44376.00	43083.00	58226.00	57142.00
n-Butylbenzene Esi+1.518	50904.00	51420.00	26073.00	23447.00	59645.00	57678.00	52831.00	37841.00	15637.00	1.00	31395.00	56275.00	30629.00	28214.00	75602.00	65845.00	1.00	1.00	25265.00	24253.00	15848.00	64693.00	14795.00	13342.00
3-hydroxy-dodecanedioic acid Esi+1.156	75897.00	79377.00	51573.00	8693.00	79268.00	71863.00	47850.00	42095.00	642332.00	645344.00	115156.00	120166.00	179307.00	174286.00	68752.00	74027.00	120849.00	8174.00	180923.00	182498.00	59160.00	58405.00	253357.00	251868.00
C5 H8 N2 O	62435.00	68684.00	40443.00	43277.00	85870.00	61680.00	77149.00	34528.00	155194.00	186729.00	35285.00	78244.00	110984.00	115817.00	37144.00	71897.00	70736.00	80412.00	77520.00	75880.00	72300.00	69865.00	1.00	1.00
C17 H37 Cl N4 O2	23142.00	1.00	23145.00	20682.00	11248.00	11573.00	34657.00	15356.00	1.00	25050.00	19508.00	43676.00	21431.00	20036.00	42390.00	27442.00	1.00	20706.00	19414.00	1.00	38019.00	33740.00	1.00	1.00
12-amino-dodecanoic acid Esi+1.271	39566.00	43202.00	15517.00	18614.00	32902.00	29273.00	17589.00	21512.00	84163.00	86553.00	22276.00	23906.00	36440.00	35972.00	26560.00	27717.00	21790.00	22349.00	20593.00	20034.00	29852.00	30465.00	20290.00	19655.00
Hexamethylphosphoramide Esi+2.4039996	23909.00	22214.00	32892.00	31522.00	39949.00	39188.00	24706.00	25488.00	1.00	1.00	21669.00	27265.00	27160.00	24954.00	35076.00	31762.00	101516.00	43835.00	27462.00	29692.00	51009.00	48278.00	18867.00	17669.00
C24 H42 N6 O2	1.00	1.00	1.00	1.00	1.00	1.00	29249.00	43433.00	1544867.00	1574440.00	45579.00	41032.00	36316.00	40223.00	1.00	1.00	20877.00	1.00	1.00	1.00	1.00	1.00	34664.00	36342.00
C9 H17 N3 O Esi+5.38	273425.00	310788.00	310631.00	434197.00	249725.00	321117.00	200932.00	26767.00	342935.00	149953.00	161186.00	233298.00	229286.00	311059.00	222960.00	155425.00	232405.00	280409.00	320647.00	307388.00	235008.00	254676.00	317100.00	285557.00
DG(20:0/14:0/0:0)	112674.00	113638.00	1.00	1.00	112861.00	112657.00	105936.00	117144.00	1.00	1.00	119999.00	110188.00	115154.00	112098.00	114145.00	110647.00	114637.00	110293.00	116983.00	113818.00	115936.00	117272.00	140666.00	131498.00
C17 H43 N6 O4	24891.00	60485.00	45616.00	1.00	39871.00	1.00	225327.00	62127.00	210510.00	200104.00	117411.00	19856.00	65265.00	1.00	98481.00	231452.00	60935.00	1.00	28751.00	211747.00	113960.00	174416.00	65693.00	1.00
2-Phenylethanol glucuronide Esi+1.3329996	39532.00	42561.00	61347.00	116069.00	130580.00	122423.00	39194.00	62655.00	155767.00	152389.00	120810.00	129307.00	129117.00	42698.00	113579.00	114700.00	124917.00	48440.00	64800.00	62757.00	122377.00	138140.00	135418.00	1.00
C18 H39 N3 O S	16487.00	74599.00	1.00	82960.00	84739.00	50046.00	1.00	80086.00	83012.00	81635.00	81359.00	78825.00	83095.00	84116.00	95444.00	77927.00	22394.00	82681.00	17961.00	87034.00	18158.00	16303.00	85329.00	82644.00
C9 H17 N3 O Esi+5.376001	262699.00	308037.00	304409.00	371645.00	261872.00	244530.00	284683.00	86663.00	1.00	149953.00	161186.00	220648.00	203921.00	292510.00	222960.00	324636.00	232405.00	238676.00	341645.00	301742.00	231979.00	253666.00	294049.00	284758.00
C13 H18 N	450530.00	454896.00	141966.00	144331.00	467820.00	467237.00	425559.00	431781.00	112001.00	127235.00	580106.00	595066.00	206711.00	208388.00	598774.00	602531.00	122959.00	113228.00	198730.00	191164.00	545160.00	544924.00	361920.00	365478.00
C23 H54 N16 O5 Esi+3.1129992	141210.00	195068.00	161159.00	153840.00	144818.00	132425.00	1.00	101522.00	110935.00	110544.00	74984.00	242993.00	195663.00	115531.00	116757.00	188154.00	1.00	96500.00	143246.00	131132.00	166030.00	126517.00	139302.00	168968.00
12-amino-dodecanoic acid Esi+1.1350001	16257.00	1.00	31172.00	27645.00	19291.00	18509.00	14522.00	13151.00	17392.00	18897.00	31961.00	30533.00	40337.00	36752.00	35813.00	34200.00	27094.00	25140.00	32755.00	33059.00	57081.00	52239.00	59776.00	52111.00
l-2-hydroxy-decanoic acid Esi+1.246	44038.00	41467.00	48616.00	56073.00	49825.00	46742.00	26967.00	28925.00	27902.00	27099.00	86012.00	88081.00	36892.00	35527.00	64135.00	64004.00	44753.00	48264.00	40383.00	32845.00	36844.00	32472.00	52051.00	48420.00
4-Vinylcyclohexene Esi+1.24 :1	44043.00	46299.00	65005.00	48893.00	52897.00	53408.00	53401.00	50755.00	38498.00	40995.00	75692.00	67796.00	56787.00	49561.00	55000.00	55319.00	38870.00	38832.00	41503.00	62860.00	50729.00	51506.00	53331.00	47436.00
C10 H12 N4	19366.00	19179.00	17120.00	15467.00	22630.00	1.00	20967.00	1.00	23979.00	27314.00	27645.00	30265.00	22715.00	23191.00	26794.00	23816.00	17419.00	21037.00	25200.00	22998.00	21848.00	1.00	26683.00	26594.00
C5 H11 N3 Esi+5.664001	138636.00	39265.00	1.00	39734.00	1.00	1.00	40709.00	1.00	53510.00	1.00	37746.00	1.00	40712.00	1.00	183658.00	1.00	1.00	42213.00	182974.00	38138.00	1.00	1.00	39081.00	24367.00
S-(p-Azidophenacyl)glutathione Esi+2.8800008	12469.00	16408.00	22712.00	24184.00	23422.00	21140.00	18063.00	16745.00	1.00	1.00	16135.00	18826.00	22776.00	24026.00	1.00	18679.00	1.00	1.00	15665.00	18255.00	11208.00	10292.00	35730.00	30931.00
Luteolin 5-methyl ether	62065.00	46546.00	48429.00	44590.00	59674.00	58060.00	65057.00	53264.00	1.00	1.00	56070.00	77213.00	50734.00	49182.00	18047.00	30505.00	1.00	48309.00	56707.00	52352.00	49349.00	52617.00	104996.00	104446.00
C22 H26 N6 O Esi+5.653	22967.00	23103.00	22585.00	20618.00	21159.00	19762.00	21109.00	21009.00	22934.00	21365.00	22196.00	21799.00	23016.00	21091.00	22692.00	21830.00	1.00	22521.00	22905.00	20457.00	21833.00	19724.00	21352.00	19371.00
C12 H26 O4 Esi+1.1879998	35997.00	31616.00	23264.00	25783.00	36418.00	38833.00	34040.00	37423.00	25083.00	20682.00	54698.00	48897.00	26529.00	29366.00	42777.00	44184.00	22175.00	20268.00	1.00	19155.00	34483.00	40118.00	31173.00	29051.00
1,4-Dioxane Esi+1.8110006	73675.00	74067.00	39748.00	41346.00	75233.00	77583.00	132979.00	130148.00	22101.00	24709.00	143866.00	151603.00	30287.00	32030.00	96687.00	99379.00	18991.00	16168.00	28990.00	28205.00	109401.00	111706.00	31866.00	38790.00
Ismine	353870.00	232574.00	70270.00	68833.00	80140.00	78019.00	91685.00	48535.00	101739.00	99536.00	42141.00	81969.00	96756.00	63173.00	169069.00	64011.00	12500000.00	71854.00	105640.00	104652.00	55661.00	51443.00	118747.00	118891.00
Fraxin Esi+1.038	32667.00	69612.00	29349.00	70285.00	121619.00	233814.00	74653.00	92598.00	17355.00	33100.00	42834.00	71681.00	61049.00	59785.00	63457.00	127182.00	76548.00	58653.00	51402.00	69843.00	48486.00	57244.00	42700.00	44129.00
?-D-Glucose	38920.00	43403.00	1.00	1.00	22217.00	17815.00	34862.00	22548.00	38850.00	34094.00	26954.00	59481.00	1.00	1.00	10864.00	1.00	239303.00	23875.00	21446.00	19631.00	24531.00	21378.00	241389.00	227402.00
2,4'-Diphenyldiamine Esi+2.0649998	1.00	1.00	22084.00	22666.00	39206.00	35054.00	496018.00	480456.00	1.00	1.00	22313.00	21529.00	1.00	1.00	159547.00	158796.00	66975.00	49485.00	58216.00	59804.00	48624.00	48776.00	161123.00	163204.00
C4 H4 O2 Esi+2.7630002	223847.00	180840.00	41160.00	1.00	1.00	1.00	50416.00	1.00	1.00	1.00	50234.00	1.00	1.00	1.00	39082.00	1.00	2680867.00	593447.00	1.00	1.00	583471.00	572798.00	350113.00	342548.00
C28 H50 N10	1.00	1.00	1.00	1.00	15876.00	17406.00	25089.00	26136.00	16198.00	15811.00	1.00	1.00	1.00	1.00	1.00	1.00	17013.00	16185.00	1.00	1.00	1.00	1.00	1.00	1.00
C21 H45 N11 O3 Esi+1.5356518	329591.00	759725.00	377005.00	633623.00	560202.00	394699.00	553539.00	492308.00	1.00	1.00	381494.00	397362.00	1.00	401687.00	355484.00	367156.00	389675.00	433154.00	405533.00	1.00	517596.00	397716.00	633105.00	1.00
C4 H6 O2	49477.00	41612.00	1.00	1.00	84079.00	82458.00	89895.00	82023.00	1.00	1.00	1.00	82382.00	1.00	72756.00	1.00	1.00	495748.00	85873.00	79801.00	55375.00	86454.00	89515.00	101579.00	97768.00
C25 H57 N4 O9 Esi+1.5289998	289443.00	266398.00	1.00	386914.00	415689.00	278232.00	351605.00	295787.00	1.00	1.00	313392.00	286781.00	1.00	305738.00	370572.00	179739.00	381574.00	386499.00	356325.00	377132.00	369337.00	379296.00	566789.00	275165.00
C6 H15 N O2 Esi+5.9430003	1.00	1.00	108683.00	18270.00	115410.00	1.00	1.00	66680.00	160895.00	216047.00	71932.00	1.00	1.00	50724.00	1.00	87191.00	65947.00	52391.00	43012.00	1.00	74770.00	1.00	1.00	1.00
C11 H21 N O5	19931.00	19072.00	1.00	1.00	1.00	1.00	12635.00	12956.00	1.00	1.00	1.00	1.00	1.00	1.00	60049.00	47318.00	163743.00	18032.00	1.00	1.00	13352.00	12259.00	1.00	1.00
C25 H38 N2 O6	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	35302.00	34874.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C14 H19 N O	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	53586.00	55556.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C12 H21 N O2 Esi+1.512	18142.00	24472.00	1.00	1.00	23234.00	39034.00	1.00	1.00	53832.00	58636.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C8 H14 N4 S	233613.00	228016.00	1.00	1.00	1.00	1.00	1.00	124284.00	1.00	1.00	1.00	42249.00	1.00	1.00	1.00	1.00	2291034.00	1.00	1.00	1.00	1.00	350336.00	299146.00	291067.00
C30 H55 N11 O4 Esi+1.749	1.00	1.00	91181.00	1.00	70794.00	42333.00	1.00	1.00	1.00	1.00	83738.00	85488.00	1.00	45206.00	39042.00	1.00	91982.00	1.00	27845.00	1.00	81678.00	1.00	91691.00	1.00
C13 H10 O5	15112.00	16804.00	1.00	1.00	1.00	1.00	1.00	1.00	109588.00	102688.00	1.00	19372.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	113651.00	109135.00
C18 H33 N O7	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	40483.00	40992.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C5 H6 O2	25249.00	65014.00	1.00	1.00	51098.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	225399.00	1.00	1.00	1.00	1.00	1.00	56403.00	56684.00
C17 H27 N O2	1.00	1.00	1.00	1.00	11940.00	11084.00	1.00	1.00	35481.00	35501.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C23 H36 N9 O20	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	53141.00	29172.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	72872.00	67996.00
C8 H15 N O10	1.00	1.00	1.00	1.00	15349.00	17917.00	19256.00	15844.00	1.00	1.00	21055.00	23688.00	1.00	1.00	1.00	1.00	81908.00	36878.00	18296.00	19583.00	45720.00	44669.00	11168.00	1.00
C5 H4 O	17415.00	15149.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	212211.00	1.00	1.00	1.00	1.00	1.00	31028.00	26515.00
C19 H35 N8	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	44090.00	44026.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C17 H18 N3 O9	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	89858.00	80774.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	52769.00	56809.00
C17 H25 N O10	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	56356.00	61854.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	68804.00	65854.00
C16 H25 N8 O	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	30264.00	30019.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C22 H35 N5 Esi+2.0909998	18927.00	1.00	26204.00	1.00	29770.00	1.00	27038.00	24692.00	1.00	1.00	1.00	1.00	1.00	24561.00	22588.00	19738.00	1.00	1.00	1.00	28800.00	1.00	19472.00	1.00	1.00
C-6 Ceramide Esi+4.1269994	43705.00	22470.00	28076.00	68748.00	1.00	1.00	1.00	40693.00	25239.00	18007.00	1.00	1.00	1.00	1.00	1.00	1.00	161248.00	72189.00	1.00	1.00	1.00	1.00	1.00	1.00
C18 H29 N8 O	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	19521.00	19760.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
9Z,11-Dodecadienal	1.00	1.00	26431.00	25930.00	1.00	1.00	24194.00	25691.00	24359.00	27232.00	20561.00	20755.00	1.00	16141.00	19848.00	18566.00	25796.00	23348.00	16699.00	15878.00	14813.00	18407.00	22084.00	21185.00
C14 H27 N3 O2	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	18165.00	20509.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C6 H10 O5 Esi+2.3499994	52165.00	44432.00	32262.00	30713.00	34578.00	36383.00	40109.00	37450.00	1.00	1.00	64165.00	79002.00	1.00	31087.00	34406.00	30363.00	1.00	1.00	39896.00	42890.00	71932.00	71407.00	34478.00	1.00
C6 H14 N4 O	1.00	1.00	1.00	1.00	15671.00	17120.00	1.00	10911.00	1.00	1.00	1.00	1.00	1.00	1.00	14437.00	13564.00	45487.00	26114.00	52594.00	52856.00	1.00	1.00	12603.00	14421.00
C8 H15 N3 O Esi+5.724999	1.00	98747.00	47289.00	76755.00	22160.00	44106.00	46347.00	42856.00	1.00	1.00	44356.00	46329.00	1.00	1.00	1.00	19824.00	1.00	57624.00	26773.00	53986.00	33430.00	39904.00	50244.00	55345.00
C9 H14 N4 Esi+1.4470001	52641.00	55795.00	46124.00	49730.00	52713.00	52803.00	72750.00	67221.00	26042.00	31497.00	58313.00	65373.00	1.00	39358.00	53779.00	59918.00	35970.00	36860.00	43849.00	43726.00	61682.00	63020.00	36151.00	41502.00
3-O-Methylrimiterol glucuronide	21177.00	21749.00	14698.00	12216.00	18936.00	17695.00	1.00	16969.00	1.00	1.00	20358.00	23834.00	1.00	1.00	1.00	11473.00	1.00	1.00	16324.00	13944.00	1.00	1.00	42147.00	43241.00
C18 H10 N10 O8	1.00	54724.00	1.00	1.00	1.00	1.00	1.00	1.00	64160.00	59398.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	33030.00	30703.00
C4 H4 O2 Esi+2.8209999	59910.00	60869.00	1.00	39009.00	1.00	1.00	50681.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	39375.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	350395.00	343376.00
C15 H18 N6	37510.00	40340.00	25149.00	25746.00	1.00	1.00	17651.00	16856.00	1.00	1.00	9963.00	1.00	1.00	1.00	10608.00	9788.00	1.00	1.00	1.00	1.00	1.00	1.00	15922.00	15841.00
C18 H29 N8 O3	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	27590.00	28625.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C8 H12 N2 O2	1.00	1.00	18371.00	17456.00	21534.00	17248.00	1.00	1.00	1.00	1.00	22414.00	24985.00	1.00	1.00	26761.00	22627.00	27503.00	23451.00	25897.00	25631.00	46592.00	46638.00	1.00	1.00
C20 H22 N3 O11	13461.00	14181.00	1.00	1.00	13922.00	14132.00	1.00	1.00	1.00	1.00	12767.00	20303.00	1.00	1.00	1.00	1.00	1.00	1.00	14203.00	1.00	1.00	13227.00	33982.00	34419.00
C6 H8 O4 Esi+2.7396667	45451.00	50094.00	1.00	1.00	413679.00	1.00	411813.00	43150.00	1.00	1.00	1.00	43954.00	1.00	1.00	1.00	1.00	2126682.00	305933.00	404366.00	394712.00	443384.00	44251.00	278821.00	268814.00
C17 H32 N3 O2	1.00	24554.00	34347.00	40793.00	40218.00	38850.00	40591.00	38080.00	21749.00	19201.00	35570.00	38396.00	1.00	24225.00	37620.00	35552.00	1.00	1.00	1.00	16403.00	25074.00	19977.00	25791.00	25150.00
C20 H30 N9 O	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	47098.00	19625.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C38 H12 N4 O	1.00	9506.00	1.00	1.00	20885.00	31318.00	1.00	12520.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12595.00	12529.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C27 H6 N6 O	1.00	1.00	1.00	1.00	16199.00	27869.00	1.00	13189.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13284.00	10216.00	1.00	1.00	10739.00	1.00	1.00	1.00	1.00
C22 H35 N9	10963.00	43897.00	1.00	1.00	11536.00	1.00	39197.00	50541.00	1.00	1.00	17368.00	19696.00	1.00	1.00	56974.00	8845.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C29 H21 N16 O7	1.00	1.00	1.00	1.00	16168.00	33985.00	1.00	11411.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12518.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C42 H21 N3 O4	1.00	10269.00	1.00	1.00	21672.00	35012.00	1.00	10115.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13730.00	10501.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C8 H14 N4 Esi+3.9619997	132246.00	115135.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	300936.00	298985.00	1.00	1.00	1.00	1.00	1.00	24898.00	126373.00	130108.00	43434.00	1.00	1.00	1.00	1.00
Thymidine	22232.00	23113.00	14793.00	13898.00	12540.00	13088.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	30687.00	13912.00	14569.00	15934.00	10977.00	1.00	1.00	1.00
C4 H4 O2 Esi+2.7599995	223847.00	180840.00	41160.00	1.00	1.00	1.00	564670.00	1.00	1.00	1.00	50234.00	1.00	1.00	1.00	39082.00	1.00	2680867.00	593447.00	1.00	1.00	583471.00	572798.00	350113.00	342548.00
C7 H14 N5 O2 S	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11557.00	1.00	1.00	12635.00	14090.00	1.00	1.00	1.00	1.00	33266.00	15379.00	12093.00	11902.00	15682.00	15355.00	1.00	1.00
C11 H22 O3	33749.00	36870.00	1.00	1.00	1.00	36266.00	32362.00	31709.00	74580.00	70521.00	43055.00	48422.00	1.00	33273.00	41056.00	47143.00	1.00	1.00	36856.00	1.00	122401.00	125502.00	25433.00	28756.00
C4 H6 O2 Esi+2.6469996	131057.00	41612.00	69481.00	1.00	84079.00	82458.00	89895.00	82575.00	1.00	1.00	69567.00	82382.00	1.00	72756.00	96724.00	83433.00	494268.00	85443.00	79801.00	79423.00	86454.00	89515.00	101579.00	97768.00
C15 H31 N O5	19360.00	42064.00	44309.00	30965.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	36805.00	47100.00	1.00	1.00	1.00	1.00	25420.00	40580.00	1.00	1.00
C19 H18 N11 S2	1.00	1.00	1.00	1.00	15114.00	25516.00	1.00	10309.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	15095.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C11 H16 O3	41364.00	39385.00	38512.00	1.00	1.00	34876.00	1.00	1.00	1.00	1.00	53280.00	54537.00	1.00	1.00	1.00	1.00	29431.00	34511.00	23632.00	22747.00	1.00	1.00	1.00	1.00
C5 H9 N O Esi+2.8799999	1.00	14148.00	1.00	1.00	1.00	62842.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	117794.00	1.00	1.00	1.00	1.00	35861.00	131210.00	1.00	1.00	1.00	1.00
C17 H24 N9 O14	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	26106.00	22678.00
C24 H12 N7 O3	1.00	1.00	1.00	1.00	14013.00	24059.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C18 H43 N8 O S	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	44762.00	26773.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	26493.00	39933.00	48106.00	26008.00	121822.00	101706.00
C20 H34 N2 O2	17270.00	19518.00	10945.00	11055.00	14444.00	13831.00	18743.00	19262.00	1.00	1.00	18162.00	16970.00	1.00	1.00	21886.00	21980.00	1.00	1.00	1.00	1.00	23173.00	24804.00	1.00	1.00
C4 H14 N4 O3	1.00	1.00	28554.00	23920.00	1.00	1.00	16748.00	15835.00	1.00	1.00	24738.00	1.00	1.00	1.00	20226.00	28941.00	1.00	21992.00	16281.00	1.00	17228.00	1.00	16375.00	15496.00
(ѩ-Mevalonolactone	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	15061.00	13780.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C7 H10 N2 O2	1.00	1.00	21622.00	21408.00	20266.00	20571.00	1.00	1.00	1.00	1.00	20296.00	22919.00	1.00	1.00	30196.00	29295.00	28076.00	19736.00	25145.00	25964.00	44516.00	40255.00	1.00	1.00
C18 H25 N2 Esi+1.161	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11776.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C14 H11 N5 O5	1.00	1.00	10715.00	1.00	12578.00	13869.00	18164.00	17458.00	1.00	1.00	18874.00	20040.00	1.00	1.00	1.00	1.00	23681.00	18820.00	15109.00	18204.00	21663.00	21414.00	10964.00	12619.00
C10 H15 N Esi+2.607	1.00	1.00	19868.00	1.00	1.00	28396.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	20325.00	1.00	45364.00	100940.00
C18 H32 N5 O	15402.00	16395.00	10945.00	11055.00	10414.00	13831.00	16644.00	16345.00	1.00	1.00	15139.00	11810.00	1.00	1.00	20558.00	20850.00	1.00	1.00	1.00	1.00	19461.00	20388.00	1.00	1.00
C16 H27 N O8	1.00	1.00	13248.00	13307.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	9731.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C5 H5 N5	1.00	32469.00	1.00	1.00	15864.00	74942.00	1.00	1.00	1.00	1.00	67961.00	1.00	1.00	45525.00	59163.00	78037.00	17625.00	52602.00	13339.00	15960.00	75743.00	1.00	1.00	1.00
C11 H20 N2 O3 Esi+1.661	1.00	1.00	27997.00	30340.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	40140.00	36276.00	1.00	1.00	1.00	1.00	22176.00	35765.00	1.00	39220.00
C9 H17 N O	1.00	1.00	25568.00	38635.00	1.00	1.00	52183.00	38272.00	60135.00	60076.00	44306.00	17439.00	1.00	1.00	1.00	1.00	46013.00	45126.00	38650.00	1.00	1.00	1.00	62037.00	11815.00
C11 H22 N S	52778.00	35368.00	46041.00	26816.00	67724.00	40842.00	36825.00	47611.00	1.00	1.00	51803.00	53448.00	1.00	28814.00	37317.00	73502.00	43975.00	35241.00	50975.00	48837.00	42397.00	57736.00	32503.00	61408.00
C10 H16 N3 O3	1.00	1.00	1.00	1.00	38966.00	42319.00	1.00	1.00	1.00	1.00	35290.00	27742.00	1.00	1.00	48038.00	32518.00	1.00	1.00	1.00	1.00	1.00	54434.00	49066.00	1.00
C13 H31 N2 S	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	20497.00	22191.00	18273.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	21279.00	14092.00
Cer(d18:1/16:0)	20946.00	21556.00	1.00	1.00	1.00	1.00	1.00	1.00	23982.00	22717.00	11724.00	10944.00	1.00	1.00	10202.00	12134.00	12797.00	14080.00	1.00	1.00	1.00	1.00	1.00	1.00
C8 H15 N3 O Esi+5.724999 :1	1.00	49610.00	1.00	81659.00	48042.00	43115.00	1.00	86722.00	12598.00	23562.00	27062.00	1.00	1.00	26180.00	1.00	1.00	1.00	39571.00	55296.00	54822.00	1.00	125551.00	62544.00	48055.00
C20 H34 N2 O2 Esi+5.468	12743.00	12650.00	1.00	1.00	10414.00	1.00	14854.00	15382.00	1.00	1.00	17023.00	19528.00	1.00	1.00	21087.00	19892.00	1.00	1.00	1.00	1.00	18013.00	19243.00	1.00	1.00
C14 H25 N O5	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10221.00	1.00	1.00	21349.00	19620.00	1.00	1.00	1.00	1.00	1.00	1.00
C16 H37 N8 O S	1.00	1.00	19809.00	23312.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	9031.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C20 H30 N2 O24	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	42306.00	40886.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	19060.00	16398.00
C19 H36 N3 O2	1.00	1.00	1.00	24183.00	25379.00	28158.00	1.00	1.00	20478.00	1.00	37335.00	36454.00	1.00	29899.00	35612.00	31330.00	1.00	19553.00	1.00	1.00	1.00	27448.00	25536.00	29983.00
C6 H10 O5 Esi+2.3530002	46403.00	42991.00	29943.00	28931.00	32319.00	34486.00	38105.00	35309.00	1.00	1.00	58055.00	71578.00	1.00	1.00	31056.00	1.00	165424.00	1.00	1.00	1.00	65745.00	65690.00	1.00	28008.00
C6 H15 N	1.00	1.00	27022.00	34665.00	1.00	1.00	1.00	33349.00	34094.00	32813.00	1.00	1.00	1.00	1.00	1.00	1.00	30852.00	35688.00	1.00	1.00	1.00	1.00	1.00	1.00
C8 H14 O2 Esi+1.5200002	22453.00	21921.00	19290.00	16031.00	21417.00	23317.00	28677.00	30657.00	1.00	1.00	38419.00	26523.00	1.00	16709.00	32213.00	25271.00	1.00	1.00	1.00	1.00	24705.00	24630.00	21786.00	17985.00
C10 H20 N2 O2	1.00	1.00	1.00	1.00	1.00	17071.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	21869.00	22451.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C10 H19 N5	29052.00	27845.00	17014.00	25348.00	1.00	1.00	26468.00	27831.00	66920.00	66540.00	1.00	1.00	1.00	26384.00	1.00	1.00	1.00	21112.00	25577.00	24060.00	1.00	26310.00	1.00	1.00
C22 H35 N5 Esi+2.0890002	19324.00	1.00	25529.00	1.00	29770.00	1.00	27261.00	24529.00	1.00	1.00	1.00	18551.00	1.00	1.00	23198.00	1.00	1.00	22889.00	1.00	30834.00	1.00	24981.00	16267.00	1.00
Linoleic acid	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	29014.00	30174.00	1.00	1.00	24110.00	22717.00	1.00	1.00	1.00	1.00	1.00	1.00	22321.00	22919.00
C15 H27 N O6 Esi+4.2480006	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	17050.00	17630.00	1.00	1.00	1.00	1.00	1.00	1.00
C22 H38 O3	1.00	1.00	25026.00	1.00	39160.00	36372.00	1.00	1.00	1.00	1.00	44545.00	46512.00	1.00	33251.00	39012.00	46772.00	1.00	1.00	1.00	1.00	31911.00	28087.00	34501.00	34956.00
C9 H17 N	1.00	1.00	57457.00	62381.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	47480.00	53343.00	1.00	1.00	1.00	1.00	1.00	1.00
C13 H33 N5 O2 S	1.00	1.00	1.00	1.00	26720.00	28134.00	27242.00	29706.00	1.00	1.00	27296.00	39487.00	1.00	1.00	31297.00	30627.00	1.00	1.00	1.00	21012.00	13737.00	13237.00	1.00	1.00
C10 H14 N6 O5 Esi+1.7229997	80011.00	64382.00	60848.00	1.00	1.00	1.00	1.00	1.00	136642.00	140845.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	72482.00	70031.00	66888.00	54516.00	77492.00	1.00	143398.00
C23 H54 N16 O5 Esi+3.1030004	146206.00	195125.00	147943.00	156765.00	138962.00	1.00	1.00	1.00	1.00	1.00	1.00	157510.00	1.00	211565.00	108696.00	143632.00	1.00	87239.00	121712.00	1.00	1.00	150540.00	1.00	155811.00
C16 H33 N O	1.00	1.00	1.00	1.00	19761.00	18890.00	1.00	1.00	1.00	1.00	1.00	1.00	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 H21 N O	1.00	1.00	11744.00	12333.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C33 H21 N19 O5	10075.00	9565.00	10296.00	10028.00	9439.00	18437.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	9291.00	9493.00	12048.00	10228.00	11039.00	9618.00	1.00	1.00
C21 H26 N9	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12946.00	13224.00	1.00	1.00	1.00	1.00	1.00	1.00
C26 H37 O2	1.00	1.00	1.00	1.00	25963.00	35564.00	17269.00	18254.00	25280.00	15455.00	37988.00	34291.00	1.00	1.00	24293.00	32427.00	1.00	1.00	1.00	1.00	32789.00	25555.00	1.00	28438.00
C43 H25 N6	11279.00	11729.00	10536.00	10652.00	10037.00	17327.00	10873.00	10779.00	8999.00	9187.00	15783.00	14732.00	1.00	10179.00	10125.00	11981.00	1.00	9730.00	12905.00	13659.00	10727.00	10983.00	1.00	9609.00
C8 H15 N3 O Esi+5.7200007	49896.00	1.00	1.00	1.00	1.00	20957.00	38959.00	1.00	1.00	55138.00	39153.00	1.00	1.00	1.00	55875.00	1.00	1.00	1.00	1.00	51202.00	1.00	47627.00	57965.00	50270.00
C6 H13 N O3	1.00	1.00	1.00	1.00	1.00	1.00	13389.00	13475.00	16249.00	15514.00	11158.00	11933.00	1.00	1.00	13289.00	11881.00	19446.00	1.00	1.00	1.00	1.00	1.00	17942.00	16062.00
C23 H33	1.00	1.00	13123.00	14224.00	1.00	1.00	11994.00	11498.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	16291.00	16334.00	1.00	12095.00	1.00	1.00
C8 H8 N3 O10	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	16506.00	16290.00
C20 H9 N11 O7	1.00	1.00	1.00	1.00	12898.00	1.00	1.00	1.00	1.00	1.00	16177.00	17931.00	1.00	15345.00	1.00	1.00	46627.00	12070.00	12975.00	15632.00	1.00	1.00	15075.00	1.00
C26 H47 N4 O3 Esi+1.9270008	50508.00	118439.00	71656.00	116696.00	45548.00	68249.00	48363.00	102043.00	49796.00	16147.00	1.00	29056.00	1.00	37357.00	19821.00	69576.00	250641.00	121297.00	37710.00	149992.00	177473.00	233566.00	1.00	54243.00
C14 H20 O4	1.00	1.00	30361.00	29655.00	31925.00	26909.00	1.00	1.00	1.00	1.00	21410.00	29595.00	1.00	1.00	1.00	1.00	15430.00	38651.00	1.00	1.00	1.00	1.00	1.00	1.00
C8 H8 N O13	1.00	1.00	10492.00	11116.00	1.00	1.00	14396.00	14747.00	1.00	1.00	15100.00	14263.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C10 H16 N O S	10203.00	12089.00	1.00	1.00	16257.00	16495.00	1.00	1.00	1.00	1.00	24332.00	24632.00	1.00	1.00	15626.00	17971.00	1.00	1.00	1.00	1.00	1.00	13720.00	17580.00	16273.00
C22 H28 N2 O2	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12197.00	1.00	1.00	1.00	10998.00
C16 H31 N O3	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	18498.00	26740.00	29824.00	38975.00	1.00	1.00	22430.00	1.00	1.00	1.00	1.00	1.00	24841.00	18103.00	1.00	1.00
C42 H75 N23 O S	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13111.00	13362.00	1.00	1.00	1.00	10133.00	1.00	1.00	9648.00	10411.00	1.00	1.00	9474.00	1.00	10345.00	11087.00
C19 H39 N O	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	9665.00	9362.00	1.00	1.00	1.00	1.00	1.00	1.00	9735.00	1.00	9992.00	1.00	10201.00	10399.00	10962.00	12069.00
C8 H15 N3 O Esi+5.7200007 :1	95442.00	1.00	1.00	57452.00	19084.00	18552.00	22755.00	39468.00	60380.00	79882.00	1.00	47264.00	1.00	1.00	1.00	25518.00	1.00	1.00	1.00	55550.00	1.00	54954.00	1.00	40487.00
C14 H40 N11 O2 S	1.00	1.00	79542.00	87635.00	36567.00	1.00	28872.00	1.00	1.00	1.00	73836.00	47494.00	1.00	29531.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	92323.00	1.00	1.00
C10 H16 O Esi+1.1970003	1.00	1.00	28487.00	27079.00	31170.00	1.00	27569.00	32183.00	1.00	1.00	44629.00	43376.00	1.00	1.00	34159.00	26559.00	1.00	1.00	1.00	1.00	31888.00	23582.00	1.00	1.00
C13 H21 N8 O2 Esi+1.8418124	1.00	1.00	1.00	58708.00	1.00	245003.00	155401.00	251327.00	88531.00	101509.00	146828.00	1.00	1.00	1.00	147137.00	98042.00	275320.00	263860.00	1.00	1.00	248512.00	128771.00	1.00	1.00
C30 H61 N7	1.00	9499.00	1.00	1.00	1.00	1.00	1.00	1.00	9930.00	11570.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C15 H36 N13 O	120850.00	121478.00	1.00	1.00	1.00	130333.00	1.00	124538.00	120036.00	1.00	1.00	1.00	1.00	1.00	124384.00	1.00	1.00	1.00	125914.00	129674.00	109933.00	124476.00	1.00	124385.00
C26 H42 N	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	18855.00	14547.00	1.00	1.00	12564.00	13965.00	1.00	1.00	23168.00	23687.00	1.00	1.00	12079.00	1.00
C15 H33 N O4 S	1.00	1.00	1.00	1.00	1.00	1.00	11527.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10721.00	12301.00	1.00	1.00	1.00	1.00
C6 H17 N6 O2 S	1.00	1.00	1.00	28354.00	1.00	1.00	1.00	1.00	13238.00	15594.00	18614.00	20499.00	1.00	1.00	11613.00	16432.00	1.00	1.00	1.00	1.00	1.00	1.00	25344.00	1.00
C19 H29 N 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	21801.00	1.00	1.00	12532.00	22410.00	1.00	1.00	1.00	1.00	1.00	1.00
C23 H49 Cl N7	41524.00	41419.00	37275.00	35140.00	54416.00	53966.00	52618.00	53321.00	1.00	1.00	1.00	1.00	1.00	1.00	33799.00	33861.00	1.00	1.00	1.00	16863.00	29254.00	23148.00	32950.00	32731.00
C21 H40 N O4	1.00	249189.00	1.00	1.00	195632.00	171782.00	180150.00	1.00	230644.00	1.00	67264.00	107312.00	1.00	1.00	286759.00	246418.00	1.00	1.00	1.00	32787.00	167570.00	180283.00	252894.00	179478.00
C31 H42 N4	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13217.00	1.00	1.00	1.00	1.00	1.00	1.00	19714.00	18407.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C10 H13 O3	20236.00	1.00	16783.00	16166.00	22232.00	17042.00	14403.00	13643.00	22875.00	1.00	1.00	15556.00	1.00	15098.00	18553.00	20069.00	1.00	13568.00	1.00	1.00	19096.00	1.00	133565.00	123610.00
C12 H27 Cl N O	1.00	26444.00	1.00	24886.00	24151.00	1.00	34825.00	32382.00	1.00	1.00	35392.00	35991.00	1.00	1.00	30683.00	31963.00	1.00	1.00	1.00	1.00	1.00	1.00	27961.00	28678.00
C6 H10 O2 Esi+1.229	1.00	1.00	50286.00	44178.00	66441.00	53130.00	59926.00	46466.00	1.00	1.00	1.00	44107.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	80003.00	1.00	1.00	91108.00	1.00
C14 H29 N3 O5	241867.00	129667.00	1.00	1.00	1.00	1.00	26487.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	95834.00	22489.00	1837288.00	19622.00	26972.00	26772.00	18552.00	14778.00	44788.00	42892.00
C6 H8 N3 O5 Esi+2.647	67145.00	42429.00	1.00	1.00	1.00	1.00	30656.00	1.00	75157.00	68653.00	1.00	1.00	1.00	1.00	1.00	1.00	748052.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C10 H18 N6 O10 Esi+2.638	17981.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	19937.00	17121.00	1.00	1.00	1.00	1.00	1.00	1.00	127936.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C25 H57 N4 O9 Esi+1.5300002	389758.00	263053.00	1.00	386914.00	1.00	278232.00	404912.00	351186.00	1.00	1.00	374854.00	387646.00	1.00	301849.00	370572.00	179739.00	357562.00	1.00	356325.00	377132.00	255148.00	379296.00	552668.00	1.00
C18 H38 O7 Esi+1.54	1.00	1.00	232997.00	1.00	1.00	329476.00	1.00	268696.00	1.00	1.00	1.00	1.00	1.00	334374.00	233405.00	1.00	218419.00	1.00	227015.00	1.00	255415.00	267406.00	1.00	1.00
C21 H45 N11 O3 Esi+1.5319997	635918.00	488143.00	457026.00	1.00	501686.00	693781.00	689832.00	455036.00	1.00	1.00	501207.00	1.00	1.00	630011.00	636793.00	475857.00	521191.00	684160.00	693940.00	1.00	501018.00	513461.00	1.00	1.00
C5 H11 N3 O	56928.00	1.00	1.00	1.00	1.00	1.00	1.00	44523.00	36557.00	30506.00	1.00	1.00	1.00	1.00	1.00	39763.00	351844.00	44977.00	1.00	1.00	1.00	1.00	1.00	1.00
C34 H60 N30 O	62526.00	64866.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	20967.00	9783.00	116915.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C6 H15 N O5	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12227.00	1.00	1.00	1.00	13438.00	1.00	1.00	11619.00	1.00	106157.00	16791.00	11725.00	1.00	18625.00	18263.00	1.00	1.00
C4 H9 N	22928.00	22481.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	16651.00	16544.00	98065.00	14945.00	1.00	1.00	1.00	1.00	1.00	1.00
C8 H15 N O5	16408.00	1.00	1.00	13950.00	16063.00	15008.00	1.00	1.00	1.00	1.00	14720.00	14087.00	1.00	1.00	18425.00	16205.00	104114.00	13722.00	14142.00	15353.00	22617.00	18486.00	1.00	1.00
C7 H13 N O2 Esi+8.13	12906.00	13721.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13804.00	1.00	85724.00	1.00	13922.00	12012.00	1.00	1.00	1.00	1.00
C24 H44 O3	1.00	1.00	1.00	1.00	166326.00	219354.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	216954.00	1.00	111562.00	284163.00	1.00	33983.00	257066.00	1.00	1.00	1.00	1.00
C5 H13 N O	36285.00	29994.00	1.00	1.00	13820.00	11990.00	14755.00	1.00	19436.00	20707.00	1.00	1.00	1.00	1.00	20916.00	1.00	86474.00	1.00	15547.00	16704.00	1.00	1.00	17051.00	20179.00
C23 H50 N3 O5	1.00	1.00	1.00	1.00	1.00	11775.00	72835.00	75594.00	21072.00	21250.00	1.00	1.00	1.00	1.00	1.00	1.00	14418.00	13367.00	1.00	1.00	1.00	1.00	1.00	1.00
C6 H6 O3 Esi+2.6399999	177381.00	164499.00	1.00	1.00	210153.00	207428.00	220396.00	191414.00	1.00	1.00	156439.00	169370.00	1.00	1.00	221288.00	181747.00	1133031.00	225888.00	148607.00	205275.00	237923.00	217535.00	95108.00	101565.00
C8 H13 N3 S	71684.00	66784.00	1.00	1.00	1.00	1.00	1.00	1.00	38965.00	38825.00	1.00	1.00	1.00	1.00	1.00	1.00	68784.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C24 H54 N4 O8	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13974.00	13617.00	1.00	1.00	1.00	12938.00	1.00	1.00	49090.00	56181.00	18586.00	15957.00	1.00	1.00	1.00	1.00
C10 H13 N O3	1.00	1.00	1.00	1.00	1.00	1.00	11240.00	11541.00	1.00	1.00	1.00	1.00	1.00	1.00	15240.00	14644.00	62576.00	1.00	16519.00	13494.00	10767.00	11614.00	34120.00	34667.00
C13 H23 N11 O S	1.00	1.00	1.00	1.00	1.00	1.00	10451.00	1.00	1.00	1.00	10529.00	11131.00	1.00	1.00	1.00	1.00	51131.00	13281.00	1.00	1.00	14072.00	15512.00	1.00	1.00
C17 H3 N2 O21	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11288.00	1.00	1.00	38964.00	48977.00	14011.00	13358.00	1.00	1.00	1.00	1.00
C9 H11 N3 O4	28274.00	25108.00	1.00	1.00	19664.00	16373.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14738.00	14188.00	110138.00	1.00	14935.00	14099.00	12125.00	1.00	1.00	1.00
C19 H7 N7 O17 S	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11832.00	10646.00	1.00	1.00	1.00	1.00	1.00	10384.00	42760.00	48324.00	14526.00	14176.00	1.00	1.00	1.00	1.00
C6 H10 N7 O3	1.00	1.00	1.00	1.00	1.00	1.00	33678.00	29130.00	1.00	1.00	1.00	1.00	1.00	1.00	43860.00	47866.00	15099.00	1.00	15671.00	1.00	17307.00	17825.00	28396.00	25645.00
C27 H60 N4 O10	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	16325.00	18399.00	30991.00	40287.00	12943.00	11520.00	1.00	1.00	1.00	1.00
C24 H56 N26 O	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12170.00	11273.00	1.00	1.00	1.00	9676.00	12032.00	11953.00	46257.00	47879.00	17793.00	16470.00	1.00	1.00	1.00	1.00
C21 H11 N2 O23	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11032.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	37282.00	42299.00	13875.00	11984.00	1.00	1.00	1.00	1.00
C24 H51 N11 O	1.00	1.00	1.00	1.00	1.00	1.00	35888.00	35194.00	11878.00	12102.00	1.00	1.00	1.00	1.00	1.00	1.00	10722.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C16 H44 N19 O2	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14205.00	15617.00	33048.00	38864.00	11556.00	11501.00	1.00	1.00	1.00	1.00
C7 H14 N2 O6 Esi+5.857	47471.00	34598.00	1.00	21640.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	22126.00	1.00	1.00	1.00	1.00	41904.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C7 H13 N O7	1.00	1.00	21093.00	22711.00	1.00	1.00	25655.00	21069.00	1.00	1.00	1.00	1.00	1.00	14423.00	17468.00	1.00	61333.00	14606.00	47944.00	48401.00	1.00	1.00	14332.00	1.00
C20 H15 N3 O22 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	9785.00	1.00	34192.00	37804.00	13146.00	14005.00	1.00	1.00	1.00	1.00
C21 H19 O4	1.00	1.00	1.00	1.00	1.00	1.00	9871.00	1.00	1.00	1.00	1.00	10056.00	1.00	1.00	1.00	1.00	42241.00	12568.00	1.00	1.00	12163.00	11672.00	1.00	1.00
C13 H21 N8 O2 Esi+1.465	1.00	1.00	115515.00	271526.00	1.00	1.00	1.00	1.00	265881.00	169511.00	1.00	1.00	1.00	1.00	106430.00	1.00	285031.00	1.00	1.00	111387.00	1.00	1.00	1.00	106251.00
C15 O20	11878.00	11287.00	1.00	1.00	11987.00	1.00	12438.00	1.00	1.00	1.00	12130.00	12861.00	1.00	1.00	14251.00	1.00	38779.00	12097.00	1.00	11991.00	12481.00	11789.00	1.00	1.00
C30 H60 N21 O2	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10783.00	1.00	34145.00	40962.00	14239.00	12261.00	1.00	1.00	1.00	1.00
C23 H52 N4 O8	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12999.00	12492.00	28190.00	33866.00	1.00	12784.00	1.00	1.00	1.00	1.00
C20 H52 N19 O4	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	15186.00	17030.00	28706.00	31336.00	10853.00	9760.00	1.00	1.00	1.00	1.00
C7 H7 O4	26754.00	23501.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	20922.00	11889.00	37298.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C11 H25 N O8	1.00	11268.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10946.00	1.00	1.00	1.00	1.00	35440.00	1.00	12404.00	11489.00	1.00	1.00	1.00	1.00
C6 H9 N O S	1.00	1.00	1.00	1.00	14283.00	16041.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14397.00	13649.00	33114.00	10483.00	1.00	1.00	1.00	1.00	1.00	1.00
C20 H50 N6 O8 Esi+1.491	1.00	20109.00	27444.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	24870.00	1.00	1.00	1.00	1.00	1.00	1.00	28720.00
C9 H11 N5 O3	1.00	1.00	1.00	1.00	1.00	12762.00	11449.00	1.00	1.00	1.00	1.00	13869.00	1.00	1.00	1.00	1.00	30799.00	1.00	1.00	1.00	13728.00	14081.00	1.00	1.00
C8 H15 N3 O Esi+5.952	1.00	96522.00	1.00	1.00	1.00	71819.00	82404.00	1.00	1.00	1.00	1.00	80077.00	1.00	1.00	1.00	1.00	121665.00	82874.00	1.00	68999.00	1.00	1.00	1.00	1.00
C8 H17 N O2 Esi+6.24	12049.00	11019.00	1.00	11867.00	12062.00	11198.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13968.00	12002.00	26842.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C12 H17 N O3	1.00	127008.00	1.00	104427.00	1.00	80882.00	83223.00	91500.00	1.00	108129.00	82704.00	135582.00	1.00	1.00	1.00	143300.00	21960.00	1.00	149429.00	141731.00	103110.00	1.00	135803.00	138425.00
C8 H13 N3	67414.00	1.00	1.00	59798.00	1.00	1.00	63754.00	1.00	58583.00	46706.00	1.00	1.00	1.00	65735.00	1.00	102868.00	82063.00	1.00	52098.00	64262.00	50807.00	57185.00	1.00	46186.00
C14 H22 N2 O S	52335.00	46027.00	1.00	1.00	37240.00	1.00	48465.00	35361.00	1.00	1.00	42498.00	61434.00	1.00	1.00	1.00	1.00	274610.00	50395.00	43338.00	1.00	51908.00	56215.00	1.00	1.00
2-(4-Hydroxyphenyl)ethanol	1.00	1.00	17530.00	16696.00	15002.00	1.00	23808.00	20900.00	1.00	1.00	15796.00	17148.00	1.00	1.00	15304.00	14179.00	25881.00	14730.00	24746.00	21619.00	17741.00	15825.00	1.00	1.00
C20 H30 N9 O Esi+6.5470004	1.00	1.00	28444.00	1.00	19775.00	1.00	51748.00	1.00	1.00	1.00	19682.00	1.00	1.00	1.00	23105.00	1.00	60018.00	1.00	1.00	1.00	20527.00	1.00	1.00	1.00
C5 H2 O	23861.00	19623.00	18250.00	18502.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14097.00	1.00	1.00	17020.00	16972.00	15284.00	13268.00	14907.00	14918.00	1.00	12532.00	1.00	1.00
C24 H43 N4 O3 Esi+1.8619998	1.00	1.00	62770.00	1.00	59124.00	1.00	56354.00	1.00	1.00	1.00	1.00	1.00	1.00	200818.00	1.00	113507.00	76964.00	1.00	1.00	100092.00	117438.00	1.00	202934.00	124167.00
C5 H6 N2 O2	16811.00	17485.00	11300.00	13073.00	12341.00	11167.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	18599.00	12623.00	11606.00	11197.00	1.00	1.00	1.00	1.00
C20 H43 N O	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13242.00	14406.00	1.00	1.00	13447.00	13530.00	19654.00	17512.00
C14 H31 N O Esi+4.3730006	1.00	37077.00	103406.00	42072.00	48988.00	44738.00	39682.00	40862.00	1.00	1.00	1.00	35463.00	1.00	48262.00	47629.00	44225.00	20450.00	1.00	14723.00	43629.00	1.00	39845.00	36786.00	1.00
C6 H11 N O3	1.00	1.00	1.00	1.00	12502.00	1.00	1.00	1.00	1.00	1.00	11307.00	1.00	1.00	1.00	1.00	1.00	21263.00	15912.00	11793.00	1.00	12071.00	13699.00	1.00	1.00
C9 H8 O	1.00	1.00	1.00	1.00	17378.00	1.00	1.00	1.00	20085.00	23519.00	1.00	1.00	1.00	15665.00	1.00	1.00	17769.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C17 H33 N8 O6	1.00	1.00	1.00	1.00	13576.00	12936.00	1.00	1.00	14500.00	15435.00	1.00	1.00	1.00	10821.00	1.00	1.00	12431.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C4 H7 N O Esi+1.8170002	18859.00	16406.00	1.00	16083.00	1.00	1.00	18278.00	15769.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	31001.00	24537.00	1.00	1.00	1.00	1.00	1.00	1.00
C5 H10 N2 O	1.00	1.00	1.00	1.00	11064.00	1.00	1.00	1.00	15335.00	13987.00	1.00	1.00	1.00	1.00	1.00	12907.00	13714.00	1.00	1.00	1.00	1.00	10526.00	12645.00	12296.00
C10 H13 N O2	51277.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	17125.00	17294.00	1.00	1.00	1.00	1.00	1.00	1.00
C8 H16 N2 O8 S	1.00	1.00	10437.00	9752.00	1.00	1.00	10013.00	10691.00	14696.00	15753.00	1.00	1.00	1.00	1.00	1.00	1.00	9464.00	9789.00	1.00	8917.00	1.00	9566.00	1.00	1.00
C5 H5 N O	1.00	1.00	1.00	1.00	103574.00	161951.00	1.00	1.00	1.00	1.00	172723.00	1.00	1.00	98716.00	10818.00	1.00	91519.00	52063.00	162880.00	63730.00	74083.00	76005.00	1.00	1.00
C6 H14 N3 O4 S	1.00	26164.00	1.00	1.00	1.00	1.00	1.00	1.00	154909.00	167797.00	1.00	1.00	1.00	1.00	29615.00	27673.00	73381.00	1.00	22456.00	1.00	1.00	1.00	1.00	1.00
C8 H15 N3 O Esi+5.952 :1	1.00	96522.00	1.00	1.00	1.00	64591.00	82404.00	1.00	1.00	1.00	1.00	80077.00	1.00	1.00	1.00	1.00	127987.00	82874.00	1.00	68999.00	1.00	1.00	1.00	1.00
C19 H28 N7 O3	37480.00	35159.00	1.00	1.00	28141.00	28811.00	139204.00	136031.00	1.00	1.00	58490.00	58749.00	1.00	1.00	18397.00	17869.00	1.00	11961.00	1.00	1.00	24680.00	23430.00	1.00	1.00
C13 H28 O7	1.00	1.00	1.00	1.00	142520.00	134346.00	19708.00	16866.00	1.00	1.00	12858.00	12990.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C10 H18 N7	40784.00	41601.00	23889.00	24596.00	34810.00	45976.00	63418.00	65347.00	1.00	1.00	85469.00	85685.00	1.00	1.00	56170.00	58990.00	1.00	1.00	1.00	1.00	54576.00	51005.00	1.00	1.00
C37 H77 N4 O4	1.00	1.00	1.00	1.00	1.00	1.00	13202.00	13540.00	10301.00	9396.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	64987.00	64818.00
C8 H13 N3 O2	1.00	1.00	1.00	1.00	1.00	1.00	55971.00	62766.00	1.00	1.00	1.00	1.00	1.00	1.00	52153.00	56025.00	1.00	1.00	1.00	1.00	1.00	1.00	14773.00	13543.00
Isobutylmethylxanthine	42070.00	39847.00	33044.00	43857.00	34739.00	38662.00	49405.00	61640.00	1.00	1.00	52022.00	49799.00	1.00	1.00	38066.00	36514.00	1.00	1.00	22496.00	20142.00	57214.00	46334.00	17584.00	16738.00
C10 H20 O5	19551.00	19833.00	1.00	1.00	27589.00	30964.00	37601.00	37829.00	1.00	1.00	46062.00	47157.00	1.00	1.00	23481.00	22394.00	1.00	1.00	1.00	1.00	23858.00	21921.00	1.00	1.00
C8 H23 N4 O3 S	24877.00	23233.00	16153.00	15600.00	19621.00	16198.00	23075.00	26094.00	1.00	1.00	23322.00	22049.00	1.00	1.00	44596.00	43010.00	1.00	1.00	1.00	1.00	14930.00	15719.00	1.00	1.00
C4 H10 O3 Esi+1.5430001	1.00	1.00	1.00	1.00	11076.00	1.00	11512.00	10720.00	19539.00	20668.00	11301.00	12165.00	1.00	1.00	1.00	1.00	1.00	1.00	39016.00	33617.00	11069.00	1.00	13754.00	14463.00
C8 H15 N3 O Esi+5.454	1.00	1.00	1.00	18970.00	1.00	1.00	33718.00	1.00	74071.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C8 H16 N3 O S	19538.00	18046.00	14539.00	14663.00	16879.00	17674.00	22482.00	23157.00	1.00	1.00	19843.00	20762.00	1.00	1.00	36713.00	37443.00	1.00	1.00	1.00	1.00	15587.00	14130.00	1.00	1.00
C24 H43 N4 O3 Esi+1.38	1.00	1.00	131162.00	1.00	1.00	1.00	94860.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	83827.00	100395.00	91948.00	87184.00	1.00	96310.00
C35 H73 N4 O4	1.00	1.00	1.00	1.00	1.00	1.00	15720.00	15275.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	31970.00	32198.00
C14 H21 N O	1.00	1.00	15722.00	1.00	1.00	1.00	29926.00	29362.00	1.00	1.00	1.00	1.00	1.00	1.00	17215.00	15699.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C10 H21 N8	15661.00	14458.00	1.00	1.00	16649.00	15852.00	26433.00	27449.00	1.00	1.00	20784.00	20036.00	1.00	1.00	27417.00	25673.00	1.00	1.00	1.00	1.00	20457.00	19588.00	1.00	1.00
C10 H23 N O6	19888.00	19407.00	1.00	1.00	19381.00	28971.00	29036.00	29371.00	1.00	1.00	33074.00	34836.00	1.00	1.00	27705.00	21371.00	1.00	1.00	1.00	1.00	19634.00	19366.00	1.00	1.00
C10 H18 N7 Esi+1.389	43356.00	41536.00	27074.00	27229.00	43335.00	40528.00	65945.00	71257.00	1.00	1.00	72687.00	76470.00	1.00	1.00	55750.00	52318.00	1.00	1.00	1.00	1.00	55654.00	54616.00	1.00	1.00
C14 H23 N O	10086.00	1.00	25318.00	24964.00	1.00	1.00	13534.00	12632.00	1.00	1.00	11709.00	10335.00	1.00	1.00	1.00	1.00	1.00	1.00	13165.00	13007.00	17373.00	15743.00	1.00	1.00
C4 H6 O2 Esi+1.249	1.00	30170.00	1.00	1.00	1.00	1.00	30779.00	24469.00	1.00	1.00	21213.00	1.00	1.00	1.00	39747.00	1.00	1.00	1.00	1.00	1.00	38875.00	1.00	1.00	1.00
C34 H67 N28 O3	1.00	1.00	10772.00	11390.00	14498.00	10775.00	26494.00	26061.00	1.00	1.00	11093.00	11019.00	1.00	1.00	17692.00	16846.00	1.00	1.00	11783.00	12804.00	12055.00	11185.00	1.00	1.00
C8 H19 N O8	20999.00	18287.00	14739.00	1.00	21991.00	22595.00	23553.00	17411.00	1.00	1.00	22811.00	35471.00	1.00	1.00	1.00	1.00	1.00	16679.00	18367.00	22002.00	31882.00	30234.00	1.00	17583.00
C11 H14	14739.00	15262.00	1.00	1.00	1.00	1.00	17810.00	16379.00	1.00	1.00	25162.00	25602.00	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 H29 Cl2 N7 S2	22835.00	20350.00	1.00	1.00	1.00	1.00	12906.00	1.00	1.00	1.00	12012.00	21260.00	1.00	1.00	1.00	1.00	1.00	12652.00	1.00	1.00	27727.00	26681.00	1.00	1.00
C17 H21 N5	1.00	1.00	17093.00	16085.00	1.00	12800.00	12684.00	12199.00	1.00	1.00	1.00	1.00	1.00	1.00	21048.00	20321.00	1.00	1.00	1.00	1.00	12966.00	11404.00	1.00	1.00
C21 H45 N3 O5	1.00	1.00	26035.00	22506.00	19947.00	25548.00	26738.00	1.00	1.00	1.00	1.00	28039.00	1.00	1.00	28701.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	27183.00	26419.00
C10 H31 N8 S	18161.00	1.00	1.00	1.00	1.00	1.00	30099.00	27723.00	1.00	1.00	36427.00	38406.00	1.00	1.00	31757.00	26806.00	1.00	1.00	1.00	1.00	23247.00	21806.00	1.00	1.00
C15 H8 N4 O	1.00	1.00	13382.00	11786.00	11809.00	13394.00	12727.00	16396.00	1.00	1.00	1.00	1.00	1.00	1.00	9722.00	14021.00	1.00	1.00	1.00	12098.00	11808.00	10013.00	1.00	1.00
C3 H8 N4 O2	18177.00	19564.00	1.00	1.00	1.00	1.00	17982.00	15634.00	1.00	1.00	12904.00	14434.00	1.00	1.00	1.00	1.00	1.00	1.00	15323.00	13924.00	1.00	1.00	11428.00	11340.00
C9 H18 O2 S2	12661.00	10678.00	1.00	1.00	14508.00	13137.00	11508.00	1.00	1.00	1.00	18307.00	30384.00	1.00	1.00	1.00	1.00	1.00	11317.00	14180.00	10901.00	17011.00	17191.00	1.00	1.00
C11 H20 O2 Esi+1.41	1.00	1.00	1.00	1.00	1.00	1.00	49100.00	38840.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C41 H47 N9 O3	1.00	1.00	11332.00	1.00	1.00	1.00	11685.00	13700.00	1.00	1.00	14413.00	16109.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C25 H18 N4 O6	1.00	1.00	1.00	10281.00	11946.00	11567.00	13519.00	13226.00	1.00	1.00	11931.00	13095.00	1.00	1.00	1.00	1.00	1.00	1.00	10804.00	11928.00	10186.00	11734.00	1.00	1.00
C30 H31 N9 O2	1.00	10776.00	12130.00	11665.00	1.00	1.00	12512.00	12062.00	1.00	1.00	12420.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11857.00	1.00	1.00	1.00	1.00	1.00
C14 H33 Cl2 N4 O4 S2	59581.00	41580.00	1.00	1.00	1.00	1.00	18759.00	13584.00	1.00	1.00	1.00	14714.00	1.00	1.00	30119.00	1.00	1.00	15514.00	1.00	11221.00	14068.00	1.00	1.00	1.00
C20 H34 N10 O2	1.00	1.00	1.00	1.00	1.00	1.00	29889.00	29685.00	1.00	1.00	15233.00	23768.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13329.00	14908.00
C39 H83 Cl N12 O8 S	1.00	1.00	14478.00	12876.00	19644.00	15303.00	17165.00	18195.00	1.00	1.00	12066.00	12769.00	1.00	1.00	12237.00	10752.00	1.00	9544.00	13632.00	13513.00	12702.00	11346.00	1.00	1.00
C23 H33 Esi+1.1800001	1.00	1.00	17078.00	15168.00	1.00	1.00	18705.00	19908.00	1.00	1.00	24616.00	30100.00	1.00	1.00	1.00	1.00	1.00	1.00	17172.00	18418.00	15029.00	19839.00	1.00	1.00
C4 H8 N2 Esi+5.301	47570.00	1.00	1.00	1.00	1.00	1.00	157444.00	1.00	53517.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	99131.00	1.00	1.00	1.00
C21 H47 N8 O2	31615.00	31403.00	29337.00	31018.00	47209.00	42342.00	31166.00	31403.00	1.00	1.00	1.00	1.00	1.00	1.00	25075.00	28850.00	1.00	1.00	1.00	1.00	25271.00	21368.00	10035.00	25018.00
C10 H14 N6 O5 Esi+1.478	1.00	1.00	1.00	1.00	130580.00	1.00	89271.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C6 H6 O3 Esi+2.792	1.00	1.00	1.00	1.00	1.00	1.00	18495.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	17287.00	1.00	1.00
C6 H8 O4 Esi+2.6380002	347686.00	208726.00	1.00	1.00	1.00	1.00	1.00	401658.00	1.00	1.00	1.00	242384.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	444421.00	199565.00	193986.00
C6 H13 N3 Esi+5.308	113789.00	1.00	139010.00	1.00	1.00	1.00	1.00	218875.00	49607.00	1.00	1.00	472557.00	1.00	1.00	1.00	1.00	1.00	1.00	503581.00	1.00	221231.00	1.00	1.00	541964.00
C6 H17 N4 O4 S	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	123792.00	132354.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	243097.00	239735.00
C6 H15 N O2 Esi+4.753	44818.00	1.00	1.00	40030.00	25423.00	32520.00	1.00	1.00	21857.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	55007.00	25816.00	43026.00	1.00	1.00	18002.00
C5 H10 N2 O2	1.00	1.00	1.00	1.00	1.00	1.00	1.00	41398.00	1.00	1.00	1.00	1.00	1.00	1.00	28336.00	29441.00	1.00	1.00	1.00	1.00	1.00	1.00	45178.00	39747.00
C7 H12 N6 O5	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	23882.00	22906.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	26529.00	25841.00
C6 H18 N3 O3 S	1.00	1.00	1.00	1.00	1.00	13253.00	1.00	1.00	1.00	1.00	26164.00	28041.00	1.00	1.00	22050.00	15131.00	1.00	1.00	1.00	1.00	18206.00	1.00	20160.00	18562.00
C26 H55 N11 O3 Esi+1.5529999	1.00	1.00	1.00	15844.00	1.00	33590.00	1.00	1.00	33900.00	35799.00	1.00	1.00	1.00	61224.00	1.00	1.00	1.00	34042.00	19988.00	1.00	1.00	20758.00	21164.00	19830.00
C9 H15 N	45072.00	30942.00	1.00	1.00	41248.00	38227.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	28381.00	37090.00	1.00	1.00	1.00	1.00	1.00	1.00	26511.00	44665.00
C45 H72 N3 O	20173.00	19447.00	1.00	1.00	1.00	1.00	1.00	1.00	18270.00	17279.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	27890.00	29157.00
C11 H22 N5 O2	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	25952.00	26501.00	1.00	24949.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	25551.00	21032.00
C13 H27 O12 S	1.00	1.00	1.00	11282.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14871.00	13324.00	1.00	1.00	1.00	1.00	1.00	1.00	13485.00	11822.00
C15 H31 N O3	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	20600.00	14718.00	1.00	1.00	15462.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14510.00	12764.00
C13 H30 N3 O14	1.00	1.00	1.00	1.00	11998.00	12616.00	1.00	1.00	1.00	1.00	1.00	11102.00	1.00	1.00	1.00	1.00	1.00	1.00	11839.00	11737.00	1.00	12002.00	1.00	11533.00
C21 H34 N6 O3	30726.00	1.00	1.00	24619.00	44029.00	22225.00	1.00	1.00	17079.00	16271.00	21962.00	21524.00	1.00	1.00	1.00	1.00	1.00	1.00	21470.00	1.00	1.00	19905.00	23157.00	23279.00
C27 H42 O2	1.00	1.00	40696.00	19670.00	43695.00	17978.00	1.00	10485.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	72556.00
C10 H11 N5	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13108.00	13620.00	1.00	1.00	11930.00	12773.00	1.00	1.00	1.00	1.00	10271.00	1.00	11449.00	12212.00
C8 H12 N3 O7 Esi+2.915	125541.00	1.00	71219.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	73524.00	1.00	1.00	120888.00	1.00	1.00	154708.00	149842.00	1.00	1.00
C22 H37 N8	1.00	27915.00	1.00	1.00	37927.00	31059.00	1.00	1.00	1.00	1.00	23045.00	17872.00	1.00	27044.00	1.00	1.00	1.00	1.00	24732.00	24347.00	31357.00	1.00	1.00	1.00
C20 H52 N9 O8	1.00	1.00	1.00	34137.00	1.00	1.00	1.00	56108.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	41968.00	1.00	87042.00	62172.00	1.00	1.00
C17 H20 N4 O6	19013.00	18963.00	12382.00	12751.00	12145.00	12388.00	1.00	1.00	1.00	1.00	11290.00	1.00	1.00	12899.00	1.00	13734.00	1.00	1.00	1.00	1.00	10402.00	11273.00	1.00	1.00
C18 H20 N3 O19	1.00	1.00	1.00	1.00	1.00	14115.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	17895.00	1.00	1.00	16236.00	14248.00	1.00	1.00
C11 H13 N2 O2	15967.00	1.00	1.00	1.00	17422.00	1.00	1.00	1.00	1.00	1.00	16392.00	21618.00	1.00	1.00	17993.00	1.00	1.00	18797.00	18256.00	1.00	25029.00	24714.00	1.00	1.00
C6 H17 N5 O2 S	43635.00	14162.00	90379.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	19745.00	1.00	1.00	1.00	46324.00	15745.00	1.00	1.00	1.00	1.00	27550.00	1.00	1.00	1.00
C11 H23 N4 O7 S	1.00	1.00	1.00	11636.00	18784.00	19912.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10653.00	10759.00	1.00	1.00	1.00
C18 H28 N13	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	9927.00	9460.00	9648.00	9756.00	9888.00	1.00	1.00
C12 H24 O3 Esi+1.335	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	84048.00	92283.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C19 H28 N4 O	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	25003.00	25910.00	36927.00	1.00	1.00	12572.00	37843.00	36014.00	1.00	27885.00	1.00	1.00	1.00	1.00	1.00	1.00
C10 H15 N Esi+3.986	1.00	1.00	293283.00	311015.00	30581.00	438115.00	1.00	1.00	1.00	1.00	324128.00	1.00	1.00	255064.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C35 H73 O11 S	1.00	1.00	10032.00	11588.00	1.00	1.00	1.00	1.00	1.00	1.00	11888.00	12509.00	1.00	1.00	1.00	1.00	1.00	1.00	10375.00	10991.00	1.00	1.00	1.00	1.00
C52 H79 N4 O4	38931.00	40891.00	1.00	1.00	1.00	1.00	1.00	1.00	26543.00	26205.00	1.00	1.00	1.00	10865.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C44 H46 N5 O6	8761.00	9157.00	1.00	1.00	9575.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	8736.00	1.00	1.00	1.00	9719.00	1.00	1.00