Compound	nC18-31may17-001	nC18-31may17-002	nC18-31may17-003	nC18-31may17-004	nC18-31may17-005	nC18-31may17-006	nC18-31may17-007	nC18-31may17-008	nC18-31may17-009	nC18-31may17-010	nC18-31may17-011	nC18-31may17-012	nC18-31may17-013	nC18-31may17-014	nC18-31may17-015	nC18-31may17-016	nC18-31may17-017	nC18-31may17-018	nC18-31may17-019	nC18-31may17-020	nC18-31may17-021	nC18-31may17-022	nC18-31may17-023	nC18-31may17-024	nC18-31may17-025	nC18-31may17-026	nC18-31may17-027	nC18-31may17-028	nC18-31may17-029	nC18-31may17-030
Factors	Groups:Weight Losing | Gender:Female	Groups:Control | Gender:Male	Groups:Control | Gender:Female	Groups:Control | Gender:Female	Groups:Weight Losing | Gender:Male	Groups:Weight Losing | Gender:Male	Groups:Control | Gender:Female	Groups:Weight Stable | Gender:Male	Groups:Control | Gender:Female	Groups:Control | Gender:Male	Groups:Weight Stable | Gender:Male	Groups:Weight Stable | Gender:Male	Groups:Weight Losing | Gender:Male	Groups:Weight Losing | Gender:Male	Groups:Control | Gender:Male	Groups:Weight Stable | Gender:Female	Groups:Weight Stable | Gender:Female	Groups:Control | Gender:Female	Groups:Weight Stable | Gender:Female	Groups:Control | Gender:Male	Groups:Weight Losing | Gender:Female	Groups:Weight Losing | Gender:Female	Groups:Weight Stable | Gender:Male	Groups:Weight Stable | Gender:Female	Groups:Weight Stable | Gender:Female	Groups:Weight Losing | Gender:Female	Groups:Control | Gender:Male	Groups:Weight Stable | Gender:Male	Groups:Weight Losing | Gender:Female	Groups:Weight Losing | Gender:Male
13Z-octadecenoic acid	634342.00	8320028.00	3152926.00	2335061.00	1441351.00	1845343.00	1418864.00	744759.00	2618964.00	2142821.00	306370.00	2748843.00	1273418.00	1451168.00	597459.00	1417389.00	503963.00	813957.00	851461.00	2318914.00	1445951.00	1941214.00	1287695.00	1345436.00	636219.00	2702142.00	348799.00	3401340.00	1773076.00	3892373.00
(25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-27-oyl taurine	1302723.00	6676565.00	3970432.00	604716.00	1452873.00	1545453.00	1701887.00	762405.00	3963935.00	3728720.00	368402.00	3205188.00	873920.00	895149.00	530862.00	2387401.00	1635970.00	1443019.00	480201.00	1926961.00	1878726.00	1591672.00	2430285.00	1864848.00	1196257.00	1953490.00	418613.00	2613833.00	1670492.00	2417844.00
6Z,9Z-octadecadienoic acid	414183.00	5726580.00	2564533.00	1416159.00	1021407.00	1491250.00	937439.00	600330.00	1627660.00	1926439.00	172647.00	1824567.00	933528.00	864824.00	486835.00	1192003.00	498612.00	486840.00	632159.00	1477629.00	1082331.00	1294753.00	601768.00	1074732.00	400749.00	2038006.00	239350.00	2414652.00	1419236.00	2685784.00
C22 H44 O6	949233.00	3599179.00	1513744.00	1119710.00	879274.00	775288.00	710679.00	526404.00	1246268.00	1694842.00	408437.00	1014865.00	445744.00	617273.00	369978.00	937993.00	716866.00	454828.00	262565.00	792077.00	1084847.00	959922.00	939812.00	571861.00	758027.00	1818499.00	409783.00	1799780.00	1282597.00	2288284.00
Lactic acid	1781490.00	1307120.00	1248205.00	1927308.00	1173599.00	1300868.00	1564928.00	1306241.00	1302890.00	1667697.00	2014174.00	1313190.00	1766742.00	1787820.00	1387072.00	1230814.00	1244226.00	1224060.00	1364418.00	1158170.00	2305877.00	1336535.00	1177319.00	1681114.00	1213634.00	1299257.00	1417975.00	1515214.00	2152041.00	1247201.00
C38 H68 N19 O6	967303.00	3512175.00	2393767.00	838951.00	997785.00	705241.00	840142.00	559019.00	2494148.00	3385591.00	278434.00	1688026.00	641363.00	940887.00	404707.00	1359442.00	940815.00	575339.00	329736.00	1498883.00	837101.00	1225403.00	1096039.00	1070828.00	651177.00	1913533.00	249210.00	1696856.00	1198736.00	2333564.00
C18 H41 N20 O2	383404.00	3288588.00	1540199.00	153559.00	414360.00	473716.00	835038.00	266420.00	1666596.00	1606229.00	152121.00	1110941.00	230815.00	284677.00	155362.00	1071340.00	699944.00	616699.00	150104.00	581721.00	655955.00	600849.00	931794.00	767332.00	510371.00	926381.00	102284.00	1015088.00	644974.00	1024328.00
L-Lactic acid	1289532.00	1517953.00	2127035.00	1495201.00	1594900.00	1176603.00	1239159.00	1758910.00	2806451.00	1332371.00	1306352.00	1531633.00	1754384.00	1082597.00	765976.00	643816.00	1191116.00	3135933.00	1567986.00	1562800.00	1854289.00	703006.00	1731276.00	1814318.00	1576791.00	1243225.00	1578836.00	2299184.00	1357122.00	1230388.00
?-D-Glucose	2318296.00	1345105.00	1493989.00	2144081.00	1383940.00	1546532.00	1903808.00	1526563.00	1291512.00	2162012.00	2415428.00	1559262.00	2084311.00	2133907.00	1486618.00	1375154.00	1380335.00	1076306.00	1631806.00	1471485.00	3034207.00	1653468.00	1448632.00	2381857.00	1446278.00	1519551.00	1521217.00	1738792.00	2917765.00	1576789.00
Acetylenedicarboxylate	2387210.00	2309383.00	2366820.00	2315862.00	2460098.00	2470844.00	2464351.00	2543604.00	2385939.00	2398187.00	2542701.00	2286973.00	2386944.00	2534066.00	2673864.00	2415734.00	2466129.00	2471121.00	2584351.00	2444132.00	2440898.00	2417142.00	2628983.00	2343599.00	2215743.00	2397671.00	2547573.00	2371113.00	2354881.00	2414092.00
Palmitic acid	301756.00	1540516.00	760621.00	703672.00	495298.00	573789.00	459393.00	385379.00	723434.00	645304.00	196527.00	895699.00	485826.00	428823.00	288164.00	482630.00	293677.00	326786.00	338022.00	652267.00	549219.00	593313.00	467950.00	517241.00	317475.00	674404.00	207685.00	854275.00	554184.00	1175049.00
MID42031:25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / 25-hydroxy-16,17,23,23,24,24-hexadehyd	546211.00	1535354.00	786063.00	645844.00	491756.00	438469.00	366519.00	266126.00	666115.00	815020.00	186059.00	597679.00	193531.00	319379.00	172323.00	557086.00	377157.00	228120.00	114969.00	415515.00	601631.00	528922.00	489685.00	276139.00	385083.00	847524.00	190047.00	830824.00	668175.00	980752.00
C40 H79 N6 O13	1914061.00	2686132.00	4284228.00	2452640.00	1752738.00	2031194.00	614089.00	611661.00	2353739.00	3376995.00	372697.00	2656485.00	2496139.00	2204663.00	881545.00	1175313.00	358228.00	561857.00	589061.00	949832.00	2097722.00	1931772.00	2162071.00	1139799.00	605688.00	2003727.00	407577.00	1889214.00	1703235.00	4256151.00
Arg Met His	468079.00	1357449.00	90010.00	119007.00	217647.00	402030.00	322137.00	243942.00	373687.00	732418.00	144504.00	43311.00	135999.00	243528.00	162607.00	439718.00	136172.00	196543.00	49374.00	380459.00	294991.00	440902.00	441568.00	403016.00	150722.00	477242.00	105091.00	480674.00	346157.00	657196.00
C17 H43 N16 O6	192304.00	1670580.00	632610.00	52077.00	260405.00	259752.00	341187.00	104676.00	518670.00	535753.00	53576.00	574586.00	184303.00	112904.00	101901.00	550102.00	634577.00	282457.00	99355.00	562495.00	298408.00	294547.00	402788.00	413792.00	197869.00	314937.00	82754.00	598983.00	288840.00	353111.00
4-Sulfobenzyl alcohol	1494079.00	72274.00	1537494.00	56457.00	215136.00	1009236.00	134500.00	1473057.00	240601.00	832750.00	926496.00	452965.00	32784.00	1106913.00	1017541.00	588881.00	930865.00	750158.00	630193.00	6069.00	603309.00	624644.00	606741.00	490426.00	913273.00	723432.00	723526.00	505683.00	363438.00	33421.00
C9 H4 N4 O2 S	89520.00	330033.00	1.00	76908.00	19318.00	15945.00	73620.00	332059.00	6044.00	339786.00	160240.00	1326050.00	12308.00	36965.00	40897.00	60688.00	2351.00	20928.00	1170558.00	407254.00	125811.00	21595.00	314241.00	56319.00	285917.00	128636.00	519048.00	59404.00	767565.00	832413.00
C31 H69 N16 O7	342373.00	711425.00	391533.00	325137.00	224561.00	129355.00	144469.00	198753.00	552619.00	378278.00	34755.00	770681.00	858719.00	169300.00	127863.00	501758.00	745529.00	129794.00	67974.00	1323563.00	154421.00	239403.00	586051.00	436674.00	378206.00	291876.00	48535.00	504367.00	228596.00	1798336.00
C17 H41 N16 O6	231775.00	1317999.00	936267.00	42468.00	246142.00	298686.00	639995.00	176588.00	486332.00	561199.00	69547.00	635478.00	247188.00	106974.00	136310.00	899631.00	513838.00	515121.00	195172.00	548401.00	518272.00	495763.00	301207.00	781301.00	219940.00	351213.00	167940.00	675615.00	459527.00	327243.00
4-Hydroxybenzenesulfonic acid	114834.00	17079.00	116444.00	59875.00	11060.00	51258.00	207966.00	90455.00	42494.00	329945.00	57019.00	83076.00	20946.00	22051.00	60867.00	76537.00	1247304.00	92157.00	45092.00	184350.00	162243.00	35866.00	249401.00	100271.00	169400.00	697431.00	586393.00	42792.00	117876.00	43213.00
1-(2-Hydroxyethyl)-2-hydroxymethyl-5-nitroimidazole	15885.00	696976.00	28547.00	19377.00	19293.00	23484.00	20341.00	24149.00	1105127.00	19706.00	17225.00	27954.00	22282.00	18536.00	31428.00	18822.00	22581.00	23401.00	19572.00	1237632.00	16720.00	20111.00	27542.00	31823.00	17907.00	24809.00	24320.00	24997.00	17651.00	31967.00
C35 H71 N16 O7	152275.00	2569841.00	818629.00	1.00	119069.00	155361.00	464277.00	319979.00	195589.00	1302293.00	68357.00	496610.00	207769.00	188189.00	46354.00	1609278.00	439953.00	349777.00	77904.00	443288.00	498231.00	461737.00	167313.00	534293.00	161586.00	588952.00	34524.00	958108.00	330405.00	599599.00
DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0/0:0)	487922.00	1159874.00	728800.00	588446.00	488089.00	435341.00	399604.00	301537.00	609676.00	729378.00	243899.00	556052.00	245877.00	362210.00	220500.00	501648.00	392892.00	281469.00	152037.00	441765.00	581396.00	554893.00	574657.00	355128.00	415940.00	778686.00	261917.00	727416.00	617534.00	863558.00
C7 H2 N3 O3 S	358293.00	157007.00	364659.00	154779.00	446610.00	509818.00	340091.00	616606.00	273155.00	348790.00	645753.00	247769.00	238724.00	633085.00	778716.00	527565.00	612235.00	328537.00	886400.00	618461.00	181682.00	371028.00	718832.00	326476.00	357826.00	215836.00	456562.00	332085.00	474583.00	557976.00
C44 H79 N3 O9 S	421725.00	1344490.00	963557.00	426399.00	210087.00	97057.00	370044.00	266837.00	661526.00	496283.00	44419.00	1388647.00	486864.00	245531.00	298843.00	557384.00	571940.00	176407.00	75600.00	723065.00	448304.00	178410.00	394623.00	386225.00	241700.00	485611.00	39749.00	645287.00	224074.00	735603.00
C6 H8 N3 O5	559873.00	637301.00	761257.00	681412.00	609383.00	519881.00	617042.00	715799.00	874591.00	631835.00	664294.00	722338.00	728282.00	480861.00	390136.00	384258.00	650610.00	976487.00	641930.00	621617.00	745560.00	293124.00	794222.00	723019.00	711036.00	553621.00	786462.00	724462.00	703226.00	627907.00
cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene	746649.00	427145.00	503196.00	725253.00	462279.00	482613.00	627390.00	517232.00	441853.00	708273.00	753925.00	544228.00	671471.00	673174.00	495401.00	482714.00	485730.00	390139.00	553174.00	495170.00	916993.00	528847.00	479067.00	730196.00	472604.00	487928.00	499705.00	595071.00	918031.00	529778.00
Stearic acid	224674.00	823184.00	474536.00	411417.00	315416.00	312072.00	296140.00	211439.00	361868.00	379765.00	162276.00	366153.00	224078.00	250343.00	184929.00	283631.00	206743.00	219013.00	177337.00	295400.00	309473.00	344342.00	264851.00	264052.00	189175.00	356207.00	149400.00	413865.00	280432.00	546785.00
Propofol glucuronide	128291.00	139360.00	1.00	31746.00	119272.00	231780.00	147882.00	83229.00	1.00	204214.00	90423.00	203847.00	703957.00	118507.00	316348.00	41832.00	106345.00	1.00	288777.00	175133.00	142932.00	182987.00	110324.00	100856.00	150700.00	106233.00	64030.00	114768.00	148543.00	156650.00
C5 H7 N5 O2	1.00	1.00	1.00	1.00	267692.00	511026.00	439939.00	476866.00	1.00	1.00	1.00	1.00	2048.00	1.00	702381.00	1.00	542278.00	1.00	311318.00	1.00	520167.00	412683.00	356273.00	1.00	1.00	719540.00	1.00	520833.00	1.00	1.00
C30 H40 N11 O8	221032.00	861696.00	408120.00	364338.00	221358.00	190699.00	240638.00	149147.00	322035.00	587612.00	119650.00	319697.00	150510.00	194162.00	119558.00	374961.00	201348.00	149568.00	86182.00	190061.00	416608.00	249179.00	405312.00	269664.00	104243.00	345306.00	85999.00	383191.00	235511.00	601459.00
C47 H79 N10 O4 S	531213.00	755485.00	1267457.00	646145.00	439822.00	559471.00	217842.00	245807.00	972988.00	1318040.00	1.00	799973.00	550674.00	629388.00	316891.00	381234.00	175273.00	213627.00	1.00	317764.00	528135.00	589407.00	893328.00	437892.00	292409.00	680015.00	1.00	504518.00	508928.00	2359769.00
2-Hydroxy-5-methylquinone	49095.00	30799.00	31641.00	13143.00	26943.00	22963.00	26241.00	35963.00	22761.00	48212.00	34778.00	29292.00	36334.00	676785.00	32682.00	21523.00	19428.00	47426.00	613732.00	30976.00	25207.00	32783.00	97100.00	15795.00	26399.00	27745.00	22639.00	668835.00	34238.00	21751.00
C17 H34 N9 O2	178575.00	549957.00	273576.00	209885.00	163373.00	137730.00	119959.00	86242.00	228157.00	289298.00	61620.00	194267.00	66659.00	105466.00	60333.00	185290.00	124352.00	75214.00	39382.00	135369.00	196205.00	173739.00	159731.00	93280.00	124460.00	291651.00	62478.00	300454.00	217663.00	348349.00
DG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	98814.00	603586.00	227384.00	145762.00	99269.00	76007.00	66169.00	43221.00	166184.00	223430.00	28688.00	134444.00	27418.00	59836.00	26076.00	104440.00	65489.00	39143.00	14315.00	78038.00	144190.00	124849.00	128775.00	53159.00	74571.00	261387.00	31442.00	248283.00	172583.00	355959.00
9Z,12E,15Z-octadecatrienoic acid	13025.00	557408.00	129543.00	37617.00	38692.00	56947.00	35128.00	21803.00	54737.00	82730.00	1.00	120189.00	41429.00	26449.00	19796.00	53084.00	24163.00	17061.00	26771.00	61799.00	47314.00	44291.00	29436.00	48146.00	16084.00	80157.00	9490.00	147832.00	58807.00	158075.00
Stearic acid Esi-13.730001	41664.00	301722.00	117519.00	74637.00	53505.00	45630.00	36331.00	24823.00	80461.00	106010.00	18434.00	86257.00	24672.00	35778.00	17772.00	48398.00	32747.00	21253.00	10640.00	37274.00	64950.00	55588.00	53645.00	31872.00	34789.00	102184.00	17057.00	115135.00	69711.00	160929.00
B-ureidoisobutyric acid	361227.00	462647.00	429733.00	431366.00	447071.00	380570.00	427850.00	408495.00	473677.00	583899.00	90862.00	360280.00	318812.00	209303.00	402182.00	365748.00	427004.00	373527.00	545580.00	344464.00	469737.00	481314.00	486358.00	453646.00	358495.00	439916.00	474115.00	445782.00	374214.00	477521.00
cholesterol sulfate	91968.00	563307.00	383654.00	282858.00	194500.00	107424.00	77378.00	82385.00	188909.00	574993.00	66241.00	197949.00	450237.00	147008.00	62140.00	285266.00	143298.00	83283.00	46290.00	296030.00	140431.00	160976.00	146717.00	204416.00	63281.00	369910.00	40315.00	292952.00	316747.00	373813.00
179.9849@0.77799994	223746.00	100641.00	217039.00	101626.00	281695.00	312391.00	215920.00	355407.00	159237.00	201187.00	353808.00	158149.00	151466.00	338191.00	456588.00	313802.00	348555.00	202509.00	532435.00	362896.00	109740.00	209535.00	379623.00	193781.00	220133.00	146718.00	280575.00	195887.00	289312.00	346045.00
(3Z)-Phytochromobilin	39597.00	349246.00	390254.00	162619.00	75911.00	66171.00	80834.00	55149.00	161986.00	353464.00	1.00	172305.00	771356.00	111161.00	80290.00	66872.00	1.00	258721.00	1.00	39137.00	61008.00	29936.00	90480.00	47908.00	14040.00	46322.00	98609.00	199292.00	52172.00	332997.00
188.0494@1.2420002	300917.00	240316.00	398892.00	209185.00	240178.00	163320.00	181158.00	331435.00	458555.00	245807.00	199296.00	239920.00	235373.00	127951.00	132939.00	90383.00	164276.00	540830.00	229235.00	370573.00	251351.00	72513.00	308810.00	310786.00	263961.00	177459.00	243636.00	388802.00	201096.00	286690.00
Acetylenedicarboxylate Esi-1.1970001	106724.00	89233.00	79493.00	76480.00	163526.00	169419.00	170147.00	153432.00	67276.00	104762.00	69310.00	116718.00	100789.00	130282.00	199465.00	68528.00	160095.00	80197.00	144460.00	113788.00	177480.00	176020.00	122039.00	103526.00	76789.00	193419.00	58508.00	167468.00	82435.00	81810.00
(+)-Serradiol	32685.00	458946.00	311638.00	179955.00	84961.00	89577.00	75361.00	34840.00	233424.00	139740.00	17258.00	306035.00	98588.00	59216.00	30828.00	83927.00	23530.00	37104.00	42970.00	123932.00	131479.00	69114.00	109154.00	116787.00	31343.00	246339.00	15633.00	286796.00	108956.00	436016.00
C22 H44 O6 Esi-13.601996	166110.00	502623.00	260160.00	189970.00	165461.00	134890.00	123644.00	96802.00	222061.00	275979.00	76685.00	181147.00	80224.00	120738.00	66581.00	159819.00	132360.00	90533.00	47987.00	129204.00	179946.00	172828.00	157262.00	108221.00	121101.00	278155.00	88890.00	266059.00	215809.00	341791.00
6Z-hexadecenoic acid	10811.00	481092.00	133944.00	68706.00	53317.00	49396.00	28897.00	24259.00	175038.00	52563.00	1.00	220071.00	76916.00	43963.00	11170.00	88965.00	12120.00	28405.00	27265.00	270198.00	32687.00	69156.00	92195.00	120734.00	37340.00	161846.00	8792.00	307268.00	79567.00	295350.00
5-Fluoromuconolactone	141908.00	134139.00	224117.00	103184.00	297815.00	316611.00	230496.00	373997.00	252613.00	245948.00	490977.00	207045.00	174128.00	307970.00	487711.00	293873.00	320753.00	322828.00	502199.00	369875.00	90354.00	185239.00	352400.00	170952.00	204760.00	171928.00	278717.00	182743.00	181972.00	277351.00
C50 H76 N5 O13	129006.00	504360.00	376210.00	113792.00	141143.00	112745.00	132562.00	90270.00	393773.00	426082.00	46427.00	304344.00	90515.00	144459.00	60142.00	183254.00	207576.00	98746.00	55325.00	229054.00	117382.00	187970.00	161237.00	159720.00	102986.00	253687.00	42181.00	255566.00	171944.00	366249.00
Phytuberin	381251.00	370730.00	386412.00	396502.00	387017.00	362198.00	363041.00	377189.00	396448.00	371439.00	423371.00	391430.00	380320.00	389169.00	384520.00	382646.00	381425.00	389823.00	380795.00	386340.00	363820.00	370431.00	383626.00	373939.00	339754.00	371762.00	376624.00	398037.00	381232.00	370650.00
C52 H77 N3 O11	394147.00	481404.00	769771.00	485547.00	361198.00	422645.00	141997.00	134787.00	481596.00	638565.00	80500.00	539625.00	508313.00	460883.00	202902.00	262742.00	82182.00	128971.00	133371.00	215033.00	450303.00	402381.00	455927.00	254312.00	135172.00	432934.00	89599.00	407349.00	366678.00	787045.00
C9 H2 N3 S	169650.00	166364.00	160531.00	469462.00	158678.00	164366.00	154004.00	154092.00	149519.00	183556.00	148902.00	249896.00	152936.00	159039.00	150247.00	150583.00	146026.00	147571.00	269290.00	173357.00	170627.00	163781.00	163925.00	178099.00	228180.00	172769.00	154658.00	148343.00	146402.00	176022.00
368.1131@0.8969998	223466.00	117128.00	118925.00	212278.00	120219.00	120806.00	168913.00	118590.00	106785.00	217566.00	322137.00	135812.00	205755.00	211807.00	111802.00	117158.00	110318.00	97729.00	126531.00	117260.00	372629.00	144058.00	120846.00	228630.00	127926.00	139047.00	126487.00	150865.00	337468.00	136009.00
Methenolone	40368.00	332559.00	181023.00	113531.00	94169.00	114748.00	87443.00	62909.00	127831.00	144754.00	21218.00	135919.00	85226.00	84553.00	51958.00	102581.00	53696.00	53623.00	66549.00	120927.00	91272.00	109892.00	65932.00	93861.00	43343.00	150969.00	28382.00	171423.00	121065.00	184529.00
PE(P-18:0/18:4(6Z,9Z,12Z,15Z))	64516.00	308015.00	529626.00	84247.00	153544.00	172771.00	106205.00	118898.00	233812.00	480882.00	1.00	256117.00	50152.00	56489.00	31293.00	197028.00	65739.00	96323.00	21162.00	185850.00	255697.00	117420.00	110374.00	152794.00	54886.00	215194.00	1.00	137609.00	154843.00	201714.00
C27 H37 N15 O8	218736.00	387875.00	273907.00	274249.00	218322.00	213968.00	225532.00	179556.00	257475.00	335298.00	147408.00	256186.00	186772.00	206169.00	168188.00	283772.00	216301.00	191524.00	134748.00	210233.00	305081.00	240509.00	240287.00	243303.00	144421.00	280523.00	130000.00	280088.00	233580.00	341408.00
C50 H77 N5 O15	233339.00	242038.00	394186.00	272463.00	218987.00	246166.00	84096.00	78501.00	268813.00	341148.00	46369.00	299023.00	288604.00	270019.00	124264.00	148408.00	49677.00	75963.00	83873.00	127961.00	264737.00	236044.00	265938.00	151243.00	81823.00	241917.00	56477.00	229100.00	211104.00	417783.00
glycodeoxycholic acid	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11449.00	1.00	1.00	1.00	1.00	93398.00	1.00	8324.00	1.00	1.00	1.00	1.00	1.00	1.00	9807.00	1.00	1.00	1.00	1.00	1.00	299480.00	1.00	20087.00
C14 H40 N12 O7	312606.00	315990.00	319059.00	314438.00	312909.00	310095.00	307180.00	317313.00	317218.00	322295.00	316157.00	319368.00	331062.00	321161.00	321920.00	323816.00	323029.00	324954.00	321693.00	332822.00	314330.00	323069.00	319705.00	323511.00	300844.00	317422.00	330985.00	322753.00	325120.00	319863.00
C4 H5 N3	1.00	1.00	1.00	1.00	138938.00	266982.00	227272.00	245910.00	1.00	1.00	1.00	1.00	1.00	1.00	354588.00	1.00	292627.00	1.00	167266.00	1.00	276956.00	217576.00	191265.00	1.00	1.00	371276.00	1.00	266944.00	1.00	1.00
PE(20:4(8Z,11Z,14Z,17Z)/P-18:0)	203777.00	340994.00	662165.00	269263.00	198616.00	230528.00	204631.00	100998.00	430165.00	368815.00	22305.00	366502.00	114170.00	158803.00	64950.00	311855.00	82666.00	103337.00	44576.00	163999.00	389854.00	225504.00	139693.00	262399.00	110988.00	347952.00	33292.00	336799.00	300400.00	205675.00
MID42031:25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / 25-hydroxy-16,17,23,23,24,24-hexadehyd Esi-13.601996	126257.00	312254.00	162511.00	143197.00	115387.00	108328.00	95655.00	75078.00	146409.00	172771.00	59126.00	127541.00	68165.00	87215.00	59554.00	126655.00	98743.00	69098.00	39927.00	96386.00	130212.00	115294.00	105962.00	78233.00	91644.00	172136.00	64700.00	172623.00	145808.00	202314.00
C25 H46 N4 O6	368705.00	377016.00	364830.00	365633.00	365689.00	368417.00	375064.00	366861.00	377189.00	365522.00	370330.00	368876.00	378144.00	372088.00	372615.00	365248.00	370111.00	377228.00	381735.00	385332.00	386510.00	382739.00	375908.00	378383.00	356618.00	373280.00	388700.00	378524.00	369525.00	383982.00
MG(0:0/18:4(6Z,9Z,12Z,15Z)/0:0)	42963.00	318586.00	153332.00	123632.00	85430.00	99585.00	83519.00	48936.00	128042.00	113331.00	25033.00	133025.00	77005.00	82400.00	39764.00	80130.00	41854.00	55634.00	56392.00	116326.00	84000.00	115540.00	88917.00	80775.00	45147.00	136396.00	29190.00	161881.00	100027.00	176783.00
C3 H4 N2 S2	1.00	1.00	1.00	1.00	342757.00	311019.00	170063.00	320891.00	1.00	1.00	1.00	1.00	1.00	1.00	310515.00	1.00	283253.00	1.00	337799.00	1.00	113775.00	329336.00	71350.00	1.00	1.00	343930.00	1.00	286651.00	1.00	1.00
Uric acid	402161.00	238690.00	311795.00	204062.00	214782.00	198101.00	220940.00	281560.00	271295.00	284338.00	167765.00	221931.00	148402.00	162575.00	300924.00	250086.00	160484.00	338011.00	185385.00	380328.00	174359.00	182688.00	267462.00	270336.00	233816.00	198706.00	191835.00	301113.00	219127.00	386834.00
13Z-octadecenoic acid Esi-13.474	634505.00	8302011.00	3153075.00	2332369.00	1440457.00	1843679.00	1418261.00	744928.00	2616198.00	2141347.00	306659.00	2753185.00	1272809.00	1450301.00	597459.00	1416404.00	503963.00	813957.00	851867.00	2317072.00	1445642.00	1939788.00	1287317.00	1344780.00	636489.00	2699758.00	348799.00	3395983.00	1772115.00	3887119.00
C9 H2 N2 O5 S	262373.00	254413.00	278412.00	268222.00	289047.00	279138.00	283685.00	292741.00	293477.00	297252.00	311624.00	271806.00	279176.00	306387.00	316226.00	285230.00	305854.00	314803.00	305440.00	272005.00	262953.00	274590.00	288404.00	258741.00	250610.00	272528.00	284515.00	279411.00	280744.00	278480.00
C27 H48 N4 O4	164662.00	223672.00	220410.00	220622.00	187048.00	197302.00	202373.00	157921.00	209735.00	218442.00	169546.00	202749.00	150305.00	171372.00	140348.00	217630.00	151021.00	165322.00	138210.00	202830.00	184513.00	202344.00	413417.00	178075.00	156594.00	232665.00	122480.00	215063.00	185541.00	220699.00
Acetylenedicarboxylate Esi-13.468996	159957.00	482079.00	370776.00	350054.00	160814.00	197394.00	237594.00	179947.00	316684.00	322798.00	81176.00	385347.00	157994.00	171484.00	68982.00	172589.00	79813.00	136886.00	119938.00	265174.00	152140.00	224565.00	137955.00	282514.00	107112.00	291122.00	77479.00	296738.00	198439.00	329183.00
C12 H22 O9	80477.00	184729.00	87548.00	126832.00	203402.00	224946.00	114130.00	31622.00	39891.00	64447.00	1.00	33680.00	58232.00	256394.00	133593.00	104360.00	15044.00	23999.00	179499.00	112115.00	29042.00	265682.00	37293.00	33808.00	20687.00	127782.00	20832.00	160058.00	59476.00	55135.00
3,5-Dinitroguaiacol	126679.00	117985.00	48181.00	112392.00	123359.00	100136.00	112352.00	89067.00	101695.00	108343.00	285189.00	64825.00	79022.00	96617.00	89781.00	95619.00	105416.00	282188.00	87763.00	92386.00	101894.00	91261.00	143883.00	130914.00	119939.00	115812.00	118475.00	102508.00	88796.00	117964.00
PS(19:1(9Z)/22:4(7Z,10Z,13Z,16Z))	106634.00	977743.00	492822.00	25596.00	119151.00	70097.00	258099.00	106687.00	297909.00	379723.00	1.00	372070.00	99366.00	86199.00	52098.00	462898.00	258407.00	146956.00	48709.00	265148.00	234240.00	130892.00	174591.00	272177.00	105774.00	414298.00	1.00	416037.00	186363.00	213834.00
C24 H42 N4 O4	191151.00	335192.00	243270.00	256359.00	225880.00	230135.00	215680.00	210116.00	276758.00	224381.00	163026.00	264263.00	240349.00	226208.00	188335.00	217308.00	207881.00	185315.00	214307.00	254209.00	220105.00	243806.00	209273.00	213429.00	182998.00	243023.00	138775.00	242107.00	204297.00	294772.00
C22 H41 N16 O3 S	77629.00	280859.00	192028.00	37621.00	86044.00	89095.00	95109.00	47075.00	195752.00	184710.00	24674.00	163542.00	51584.00	51309.00	32245.00	129905.00	91470.00	84865.00	29024.00	113577.00	109271.00	92367.00	131102.00	106046.00	71663.00	112919.00	26640.00	140231.00	96590.00	132069.00
C36 H64 N3 O3	18264.00	277208.00	117800.00	80700.00	48040.00	65274.00	47153.00	23581.00	89440.00	76842.00	7321.00	94502.00	44269.00	52151.00	15483.00	48173.00	11673.00	25459.00	28403.00	81088.00	51110.00	68956.00	46749.00	47158.00	16807.00	92136.00	7959.00	121087.00	65123.00	132017.00
L-Lactic acid Esi-1.2420002	1277010.00	1496679.00	2082142.00	1463556.00	1563901.00	1164733.00	1219845.00	1737273.00	2766942.00	1312503.00	1275331.00	1505995.00	1731771.00	1070476.00	763969.00	636712.00	1172279.00	3093462.00	1533845.00	1533689.00	1840664.00	697540.00	1685980.00	1779362.00	1554068.00	1228738.00	1556509.00	2251896.00	1324393.00	1213508.00
Oxidized Photinus luciferin	150544.00	150932.00	159110.00	146101.00	145238.00	145289.00	138820.00	146815.00	137385.00	136334.00	135858.00	138191.00	138995.00	125652.00	131348.00	124121.00	119745.00	127744.00	132986.00	128301.00	127759.00	127935.00	119220.00	133982.00	105901.00	118424.00	122209.00	115143.00	127208.00	119860.00
C25 H36 O3	21771.00	67593.00	1.00	1.00	19519.00	1.00	1.00	212373.00	1.00	23881.00	1.00	4660.00	7454.00	40351.00	51087.00	20792.00	5533.00	1.00	56947.00	106663.00	4991.00	18635.00	20029.00	45254.00	53934.00	20569.00	22998.00	63223.00	85519.00	23697.00
C3 H4 O2	155662.00	108938.00	112313.00	160057.00	108690.00	112900.00	135028.00	109384.00	105315.00	145601.00	191565.00	121877.00	148789.00	163180.00	121227.00	111760.00	112492.00	102764.00	115491.00	101642.00	201259.00	121319.00	113151.00	152151.00	115024.00	120913.00	122036.00	128561.00	203781.00	114023.00
PE(22:4(7Z,10Z,13Z,16Z)/0:0)	51535.00	160016.00	257012.00	29324.00	97054.00	85679.00	165190.00	35987.00	175815.00	97958.00	23032.00	216098.00	55603.00	33367.00	60529.00	104991.00	84755.00	126215.00	66641.00	80904.00	141758.00	61479.00	105004.00	160272.00	59788.00	93769.00	45291.00	144596.00	99833.00	55336.00
C29 H28 N20 O	50013.00	202675.00	95017.00	88766.00	50120.00	45721.00	54751.00	32723.00	73609.00	142434.00	26343.00	71542.00	33871.00	44789.00	27548.00	93783.00	47776.00	37207.00	19434.00	41142.00	101047.00	58988.00	88235.00	62504.00	24099.00	84136.00	19852.00	86935.00	56136.00	132466.00
?-hydroxyisobutyrate	110838.00	333424.00	95837.00	91624.00	246362.00	285739.00	122344.00	18211.00	75315.00	56543.00	28976.00	24756.00	108994.00	357421.00	105030.00	75778.00	1.00	27766.00	281706.00	68045.00	41303.00	265490.00	16107.00	38242.00	19001.00	188037.00	29782.00	168253.00	190768.00	43340.00
4-Pentenoic acid, 3-oxo-	175546.00	129820.00	127335.00	196854.00	129101.00	139042.00	168236.00	134482.00	123828.00	185082.00	224886.00	150165.00	199644.00	203006.00	138080.00	137182.00	141731.00	138321.00	136555.00	118807.00	238201.00	150917.00	139709.00	188242.00	138945.00	142454.00	138090.00	162893.00	251971.00	138070.00
C27 H48 N4 O4 Esi-13.436003	342893.00	823035.00	563641.00	545260.00	472383.00	544955.00	432827.00	405545.00	547600.00	524649.00	303488.00	605222.00	476888.00	509968.00	411817.00	466333.00	359062.00	347919.00	439941.00	485294.00	471979.00	577257.00	459300.00	425445.00	311618.00	585571.00	264358.00	558960.00	475419.00	574879.00
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol	200148.00	204310.00	206857.00	197907.00	204319.00	213744.00	196242.00	210039.00	198846.00	211969.00	201444.00	197952.00	229952.00	207056.00	200499.00	207531.00	203790.00	200379.00	206539.00	219020.00	208630.00	213862.00	210823.00	212371.00	184093.00	218778.00	187416.00	206004.00	204326.00	204627.00
PE(18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z))	152860.00	93065.00	210344.00	275627.00	145420.00	84068.00	1.00	43077.00	230113.00	421309.00	45732.00	251800.00	184774.00	249524.00	94260.00	89902.00	70728.00	82820.00	67229.00	242182.00	45219.00	83464.00	161266.00	70560.00	53156.00	113957.00	28486.00	160244.00	159374.00	370820.00
3-methyl pyruvic acid	185908.00	133949.00	130070.00	207052.00	130536.00	138916.00	170903.00	135184.00	129351.00	190370.00	220063.00	140270.00	179888.00	200268.00	144133.00	128157.00	137021.00	123117.00	154964.00	127391.00	246878.00	141212.00	122088.00	181769.00	127939.00	146190.00	150419.00	156919.00	243155.00	138653.00
TRIBOA	52267.00	42940.00	8552.00	52560.00	47752.00	27807.00	33069.00	34614.00	33795.00	41984.00	233730.00	8714.00	23873.00	36999.00	30467.00	40003.00	37668.00	40735.00	16314.00	29849.00	29027.00	26545.00	56075.00	39142.00	38544.00	39679.00	37479.00	29409.00	32778.00	36795.00
cis,cis-2,4-Dihydroxy-5-methyl-6-oxo-2,4-hexadienoate	126171.00	284695.00	104213.00	92496.00	250600.00	275086.00	142995.00	17233.00	80646.00	42793.00	24459.00	36394.00	125638.00	323169.00	105635.00	80138.00	1.00	21047.00	265071.00	74413.00	51461.00	232131.00	27485.00	44271.00	20694.00	186593.00	19366.00	174517.00	175036.00	53084.00
PI(18:3(6Z,9Z,12Z)/18:1(9Z))	109374.00	309242.00	247944.00	44708.00	79739.00	53461.00	112089.00	76589.00	243436.00	270181.00	19574.00	197308.00	55779.00	63874.00	31520.00	147790.00	226220.00	58486.00	26451.00	170308.00	43143.00	96560.00	112677.00	127863.00	123999.00	163350.00	1.00	112107.00	70214.00	650036.00
PE(19:0/0:0)	41296.00	195401.00	135596.00	20064.00	43807.00	46354.00	50155.00	24826.00	126921.00	124020.00	10617.00	83788.00	27416.00	30800.00	16219.00	66739.00	46032.00	41808.00	15369.00	59589.00	55668.00	45548.00	69014.00	61074.00	36121.00	63944.00	11853.00	75648.00	47526.00	77538.00
Galalpha1-4Galbeta-Cer(d18:1/16:0)	47301.00	244091.00	53757.00	82468.00	39314.00	54904.00	36772.00	25019.00	92597.00	107273.00	16880.00	51598.00	33592.00	52313.00	20100.00	42847.00	14926.00	23359.00	1.00	34090.00	57795.00	67452.00	45533.00	40134.00	44180.00	117086.00	39940.00	106154.00	72156.00	142134.00
Alloxydim	151388.00	198339.00	1.00	124636.00	101428.00	64636.00	83253.00	74002.00	60495.00	183965.00	166429.00	1.00	34525.00	67026.00	58670.00	108014.00	86624.00	29860.00	1.00	53979.00	51485.00	59314.00	104467.00	101887.00	64542.00	86919.00	45904.00	64481.00	51273.00	72523.00
C19 H34 N7 O	44654.00	196539.00	73785.00	56080.00	42012.00	35997.00	31177.00	25377.00	63499.00	86223.00	18906.00	49413.00	19203.00	27224.00	16456.00	45434.00	33239.00	23344.00	12860.00	34649.00	52037.00	44999.00	46723.00	25609.00	34366.00	87935.00	20112.00	87420.00	61659.00	113257.00
Theophylline	35659.00	31583.00	133792.00	1.00	14078.00	8230.00	8934.00	41921.00	205802.00	90357.00	1.00	32297.00	22423.00	1.00	26819.00	68924.00	28500.00	211224.00	53057.00	212508.00	21803.00	22696.00	60235.00	34442.00	19236.00	1.00	1.00	142195.00	29940.00	101831.00
C3 H6 N2 O3 S2	227564.00	204874.00	229663.00	237686.00	222031.00	235538.00	228745.00	246236.00	229671.00	220723.00	273600.00	211933.00	231741.00	243475.00	267724.00	269765.00	265052.00	261586.00	269239.00	267755.00	256004.00	244351.00	266222.00	236734.00	214749.00	206624.00	231800.00	254120.00	270441.00	251359.00
C6 H8 N3 O5 Esi-1.3770001	38802.00	48737.00	99492.00	49402.00	48242.00	29548.00	33347.00	75513.00	164010.00	39600.00	38373.00	54786.00	73383.00	21045.00	390023.00	382865.00	37081.00	233543.00	52915.00	54108.00	79109.00	292746.00	75430.00	79794.00	72995.00	36974.00	61917.00	106906.00	44640.00	38033.00
C5 H4 O7 S2	198643.00	188295.00	202568.00	196411.00	208645.00	191009.00	207468.00	210617.00	202493.00	214496.00	204654.00	205330.00	207676.00	214270.00	225607.00	204117.00	220175.00	225669.00	217996.00	208713.00	196213.00	199613.00	209481.00	200844.00	185826.00	204824.00	208338.00	213023.00	208398.00	210693.00
C36 H60 N3 O3	13338.00	215544.00	106343.00	59361.00	40905.00	62854.00	37959.00	23050.00	65746.00	79550.00	1.00	74808.00	38900.00	36420.00	20089.00	48186.00	18465.00	17497.00	26657.00	62287.00	43568.00	55927.00	21926.00	44198.00	13560.00	81932.00	8133.00	97081.00	58262.00	105929.00
2-methylene-4-oxo-pentanedioic acid	140995.00	339854.00	431491.00	333187.00	337262.00	266247.00	289805.00	383645.00	203728.00	150217.00	311298.00	346267.00	1.00	255148.00	110990.00	197844.00	291517.00	214023.00	342118.00	345764.00	378709.00	100240.00	383485.00	163369.00	357574.00	283955.00	166318.00	176169.00	328058.00	309359.00
C41 H66 N23 O2	25320.00	229757.00	66874.00	49260.00	22353.00	37974.00	33435.00	23101.00	54927.00	122645.00	1.00	39293.00	18919.00	52937.00	39161.00	50906.00	42070.00	23132.00	19941.00	23286.00	41141.00	46868.00	7095.00	44998.00	19336.00	49489.00	26535.00	52311.00	59849.00	74940.00
C37 H81 N8 O12 S2	82498.00	241825.00	195750.00	83407.00	30348.00	1.00	71413.00	55143.00	135734.00	105104.00	1.00	278983.00	85636.00	45484.00	59675.00	110062.00	117651.00	31710.00	1.00	169456.00	78549.00	34883.00	81027.00	79038.00	46498.00	101373.00	1.00	130256.00	32447.00	145270.00
Phytuberin Esi-13.730001	136874.00	223229.00	192691.00	161530.00	139121.00	125986.00	129300.00	118962.00	159809.00	186371.00	108481.00	157513.00	157394.00	130889.00	101169.00	148760.00	136538.00	129909.00	79920.00	137103.00	153681.00	142283.00	157268.00	122072.00	130392.00	168382.00	116089.00	173157.00	173025.00	200562.00
PE(18:2(9Z,12Z)/0:0)	23599.00	173245.00	62244.00	1.00	22075.00	22243.00	47370.00	19358.00	34724.00	83374.00	1.00	68700.00	17761.00	10724.00	8049.00	86925.00	62111.00	29670.00	14034.00	70838.00	34241.00	42062.00	30706.00	68205.00	33080.00	34090.00	16605.00	62520.00	41105.00	43232.00
6Z,9Z-octadecadienoic acid Esi-13.020997	411477.00	5658411.00	2539563.00	1404199.00	1013287.00	1478336.00	930284.00	595991.00	1612757.00	1909258.00	171821.00	1806941.00	925386.00	857885.00	483636.00	1182556.00	495832.00	483299.00	627332.00	1464414.00	1073810.00	1283775.00	597369.00	1066287.00	398211.00	2020771.00	238202.00	2391956.00	1407682.00	2660518.00
13C6-phe	162540.00	162731.00	178472.00	181114.00	165945.00	169260.00	178042.00	182499.00	174378.00	177174.00	156544.00	175257.00	184219.00	179471.00	178506.00	171866.00	186713.00	184590.00	168709.00	171556.00	169345.00	169248.00	174435.00	176959.00	156351.00	173939.00	169332.00	182705.00	175811.00	185507.00
C29 H51 O3	137240.00	134663.00	100189.00	126946.00	88440.00	123639.00	123197.00	90348.00	131095.00	193025.00	108004.00	118447.00	90894.00	144420.00	96058.00	109287.00	104121.00	109272.00	87465.00	164619.00	136524.00	140457.00	211463.00	120618.00	87811.00	128575.00	55814.00	129016.00	125349.00	106986.00
C55 H78 N7 O5	84102.00	300125.00	122247.00	117094.00	78934.00	53772.00	105939.00	67880.00	120498.00	183515.00	15972.00	128128.00	38474.00	43080.00	50495.00	198940.00	127698.00	76085.00	26499.00	102204.00	196012.00	107128.00	46371.00	122167.00	66378.00	200965.00	33303.00	172099.00	128604.00	141351.00
NeuAcalpha2-3Galbeta-Cer(d18:1/16:0)	10564.00	190632.00	76117.00	1.00	12076.00	13768.00	16594.00	1.00	74571.00	65437.00	1.00	49748.00	1.00	1.00	1.00	27136.00	14253.00	10546.00	1.00	19881.00	19099.00	14297.00	30880.00	19145.00	9526.00	20832.00	1.00	34477.00	16276.00	30820.00
Retinol Acetate/All-trans-retinyl Acetate	22385.00	77310.00	141232.00	59796.00	38837.00	53082.00	20488.00	23096.00	66773.00	65605.00	8904.00	107246.00	50666.00	44647.00	24296.00	35981.00	7133.00	23021.00	27935.00	30244.00	65771.00	35262.00	61302.00	32435.00	16069.00	49287.00	9196.00	65482.00	50299.00	163968.00
C34 H49 N8 O2	153436.00	152926.00	148449.00	137109.00	152316.00	156972.00	152260.00	153760.00	93474.00	137194.00	156204.00	156038.00	157726.00	156360.00	156524.00	160419.00	157372.00	160664.00	161758.00	159713.00	160950.00	160671.00	156047.00	154648.00	150231.00	160620.00	154159.00	156410.00	159103.00	152930.00
11-methyl-hexadecanoic acid	11798.00	166281.00	59812.00	33855.00	27302.00	23437.00	16263.00	8784.00	39391.00	48407.00	1.00	53097.00	11105.00	15659.00	6780.00	17722.00	11192.00	9323.00	1.00	14064.00	29603.00	26642.00	20724.00	16528.00	12223.00	47285.00	1.00	54652.00	32095.00	86390.00
312.1762@10.423003:1	243316.00	244677.00	254287.00	217269.00	240536.00	235093.00	235853.00	242096.00	246099.00	246195.00	232883.00	237939.00	250323.00	230280.00	234011.00	184171.00	246702.00	222014.00	182242.00	248922.00	258527.00	248917.00	252709.00	255531.00	224788.00	251931.00	247104.00	243737.00	247996.00	249998.00
C32 H51 N3 O10	27932.00	191886.00	105827.00	12353.00	31413.00	34523.00	58761.00	19652.00	113508.00	112609.00	10988.00	76983.00	17367.00	21819.00	12553.00	73896.00	50278.00	44296.00	12500.00	43760.00	49435.00	44320.00	68023.00	58195.00	37585.00	64406.00	8749.00	71433.00	45596.00	68776.00
C31 H57 N5 O7	189945.00	189387.00	181760.00	160592.00	182420.00	189394.00	187398.00	180104.00	106640.00	159273.00	188330.00	188055.00	185985.00	184880.00	185828.00	185143.00	186428.00	181437.00	187299.00	183035.00	193349.00	196199.00	191097.00	192822.00	184266.00	195661.00	187216.00	185535.00	191425.00	184499.00
2-methylene-4-oxo-pentanedioic acid Esi-1.2529999	303393.00	174373.00	429850.00	329566.00	336346.00	266325.00	287998.00	381543.00	535075.00	307168.00	305794.00	193555.00	378640.00	252374.00	90904.00	82569.00	290452.00	293078.00	189420.00	346821.00	376012.00	80808.00	175823.00	384998.00	356061.00	283955.00	206107.00	432365.00	174440.00	308406.00
?-hydroxyisobutyrate Esi-2.68	63843.00	137356.00	106434.00	147330.00	136373.00	175205.00	119881.00	60346.00	52894.00	58826.00	107730.00	169355.00	188038.00	138590.00	123291.00	74012.00	43647.00	108074.00	46293.00	83152.00	157361.00	123524.00	99456.00	84192.00	75651.00	166648.00	75073.00	115515.00	181937.00	184551.00
Nabam	69543.00	65350.00	74788.00	62356.00	76777.00	86252.00	63652.00	91921.00	58468.00	73607.00	108931.00	56711.00	49659.00	96289.00	117035.00	77822.00	84697.00	60993.00	132594.00	101915.00	27613.00	70235.00	119047.00	61494.00	65839.00	56062.00	75029.00	64177.00	90841.00	97239.00
C11 H10 N6 O4 S	1.00	1.00	1.00	1.00	83133.00	49317.00	17469.00	61083.00	1.00	1.00	1.00	1.00	1.00	1.00	48842.00	1.00	42231.00	1.00	88212.00	1.00	10717.00	161895.00	1.00	1.00	1.00	76161.00	1.00	46451.00	1.00	1.00
C8 H8 O4 S	126800.00	20937.00	1.00	1.00	1.00	11297.00	46393.00	21202.00	8977.00	15338.00	25946.00	1.00	1.00	7412.00	1.00	13170.00	19195.00	9463.00	1.00	175529.00	1.00	15109.00	1.00	19425.00	1.00	1.00	1.00	6855.00	12370.00	39270.00
Orthothymotinic Acid	150734.00	176693.00	178186.00	169947.00	181649.00	177092.00	177896.00	179028.00	172857.00	170121.00	179004.00	177149.00	187336.00	177273.00	182497.00	177289.00	170312.00	173260.00	187843.00	182648.00	177685.00	168931.00	180522.00	179617.00	158529.00	181054.00	181516.00	183979.00	173974.00	181997.00
C54 H72 N14	81417.00	285158.00	143029.00	149790.00	86722.00	72583.00	94678.00	60959.00	141824.00	203501.00	12510.00	141083.00	42278.00	62230.00	64427.00	167691.00	103864.00	63505.00	38263.00	69877.00	175486.00	102546.00	28729.00	102906.00	56779.00	213414.00	51559.00	182727.00	164467.00	230776.00
Cascarillin	20890.00	78938.00	79172.00	82612.00	42725.00	69735.00	107671.00	74530.00	35703.00	14347.00	82449.00	74438.00	125460.00	40873.00	44483.00	10511.00	30097.00	29798.00	75612.00	46517.00	144437.00	48183.00	23657.00	92662.00	97147.00	88837.00	38466.00	93263.00	25641.00	74649.00
C10 H8 N2 O4 S	1.00	1.00	1.00	1.00	78478.00	46608.00	18069.00	58769.00	1.00	1.00	1.00	1.00	1.00	1.00	49001.00	1.00	42241.00	1.00	83991.00	1.00	10752.00	157885.00	1.00	1.00	1.00	75049.00	1.00	48130.00	1.00	1.00
Ser His Gly	38162.00	72203.00	87341.00	46369.00	87652.00	71064.00	72261.00	52952.00	54381.00	91273.00	31518.00	73807.00	123663.00	32734.00	49161.00	38817.00	82116.00	74883.00	71021.00	164377.00	63023.00	84457.00	111896.00	73291.00	70196.00	90966.00	91759.00	82189.00	44721.00	96934.00
Taurine	59823.00	51184.00	153589.00	81371.00	121637.00	102042.00	98914.00	77027.00	180538.00	56094.00	95629.00	131042.00	101625.00	86223.00	68838.00	76413.00	49632.00	132525.00	117152.00	98866.00	85704.00	122663.00	102050.00	143060.00	77202.00	108072.00	51797.00	92037.00	69337.00	71915.00
C5 H5 N3 O	1.00	1.00	1.00	1.00	66712.00	128373.00	118083.00	129242.00	1.00	1.00	1.00	1.00	1.00	1.00	183121.00	1.00	145894.00	1.00	86854.00	1.00	136616.00	103431.00	85365.00	1.00	1.00	182295.00	1.00	142421.00	1.00	1.00
C5 H9 N5 O3	1.00	1.00	1.00	1.00	65359.00	128188.00	108263.00	123616.00	1.00	1.00	1.00	1.00	1.00	1.00	174432.00	1.00	135758.00	1.00	82055.00	1.00	128860.00	97277.00	83926.00	1.00	1.00	177502.00	1.00	136081.00	1.00	1.00
C9 N O5 S3	128952.00	132766.00	133435.00	128953.00	139300.00	131144.00	136011.00	136910.00	135593.00	138659.00	133257.00	133704.00	135201.00	144061.00	151224.00	135324.00	148326.00	143484.00	144244.00	137619.00	135681.00	140839.00	147710.00	140789.00	129551.00	146324.00	141241.00	136262.00	140437.00	138248.00
C8 H2 N S2	129052.00	113170.00	73580.00	117628.00	100960.00	74555.00	59322.00	102126.00	125648.00	149681.00	179182.00	137865.00	135986.00	119368.00	150927.00	147046.00	151503.00	151561.00	175069.00	81259.00	96325.00	144308.00	169111.00	92358.00	91983.00	62898.00	143398.00	129351.00	144406.00	155639.00
C9 H4 N O10 S	143006.00	144053.00	144003.00	147326.00	160345.00	165378.00	151443.00	155554.00	145195.00	161152.00	153837.00	137192.00	155040.00	162673.00	168386.00	150490.00	158784.00	164859.00	158440.00	144396.00	151541.00	152449.00	160717.00	145459.00	130519.00	155362.00	154512.00	148151.00	146000.00	141393.00
Loxoprofen Metabolite (b-D-Glucopyranuronic acid, 1-[a-methyl-4-[(2-oxocyclopentyl)methyl]benzeneace	32382.00	35707.00	1.00	7920.00	31062.00	56477.00	35590.00	20992.00	1.00	51166.00	22587.00	48846.00	136284.00	29709.00	73026.00	11470.00	27517.00	1.00	63838.00	41525.00	35736.00	44105.00	28688.00	24013.00	36143.00	26434.00	15832.00	30305.00	38205.00	38154.00
326.1915@10.975003	202681.00	198336.00	171176.00	187010.00	161466.00	215882.00	204272.00	200442.00	217788.00	257951.00	172435.00	198668.00	205364.00	67168.00	178484.00	214433.00	168523.00	213103.00	195304.00	281088.00	240998.00	224672.00	244689.00	201929.00	169561.00	216903.00	210589.00	187875.00	227537.00	223093.00
Diethyl Oxalpropionate	43037.00	104755.00	41715.00	62886.00	105949.00	114502.00	54096.00	14013.00	22642.00	45729.00	1.00	13975.00	28655.00	125476.00	66618.00	46717.00	1.00	12461.00	84774.00	73100.00	15462.00	156355.00	15080.00	17955.00	9345.00	58482.00	8758.00	81965.00	26177.00	20631.00
Trinexapac-ethyl	150059.00	162370.00	149483.00	153377.00	156768.00	155903.00	149725.00	158728.00	150082.00	151988.00	146060.00	144390.00	149803.00	153100.00	142992.00	146141.00	153172.00	144846.00	151877.00	156494.00	160247.00	162955.00	149339.00	154048.00	140723.00	139848.00	155347.00	151132.00	148053.00	149847.00
C8 H4 O9 S2	146839.00	141726.00	149691.00	147545.00	153057.00	145255.00	148308.00	156434.00	152832.00	154813.00	156147.00	147944.00	152640.00	154513.00	169258.00	152374.00	157767.00	170930.00	161993.00	148590.00	150298.00	147927.00	152068.00	149301.00	132058.00	155593.00	155897.00	153326.00	150662.00	155136.00
206.0599@0.90500015	77335.00	45137.00	48520.00	65365.00	64504.00	56324.00	75368.00	77424.00	59950.00	92833.00	155720.00	57648.00	73845.00	115107.00	72957.00	59708.00	63523.00	46972.00	86936.00	48670.00	80465.00	63201.00	55615.00	77048.00	59756.00	57718.00	72684.00	64502.00	107056.00	67643.00
Phytuberin Esi-13.463998	106863.00	304176.00	221623.00	197116.00	156193.00	164445.00	157909.00	130610.00	208639.00	181001.00	84125.00	214949.00	164089.00	154391.00	104194.00	161970.00	106175.00	120449.00	123446.00	181630.00	155928.00	181941.00	159086.00	156805.00	108911.00	198821.00	84656.00	215543.00	180903.00	255889.00
C19 H44 N8 O4	31533.00	267667.00	66443.00	49752.00	46272.00	28335.00	35332.00	20367.00	98887.00	71668.00	18347.00	57277.00	24094.00	45616.00	14656.00	57116.00	29588.00	19885.00	8577.00	39253.00	53822.00	98261.00	48443.00	41151.00	35560.00	88553.00	17886.00	65625.00	72140.00	116050.00
C3 H6 N2 O3 S2 Esi-0.8269998	227564.00	204874.00	229663.00	237686.00	222031.00	235538.00	230130.00	246236.00	230349.00	221001.00	273600.00	245149.00	231741.00	243475.00	267724.00	269765.00	265686.00	261586.00	269239.00	267755.00	256004.00	244351.00	266222.00	236734.00	213801.00	211100.00	231800.00	254120.00	270441.00	251359.00
4-Aminophenyl 1-thio-?-D-glucuronide	1.00	1.00	1.00	1.00	68965.00	86741.00	85515.00	88375.00	1.00	1.00	1.00	1.00	1.00	1.00	120402.00	1.00	86671.00	1.00	51740.00	1.00	90256.00	89124.00	63104.00	1.00	1.00	120317.00	1.00	97630.00	1.00	1.00
10-[5]-ladderane-decanoic acid	17010.00	77637.00	44907.00	57012.00	23601.00	40937.00	16550.00	13488.00	40952.00	31541.00	1.00	63616.00	10034.00	14884.00	5997.00	26164.00	6250.00	9874.00	8161.00	29893.00	43432.00	20607.00	30825.00	20587.00	10139.00	52694.00	1.00	50552.00	43839.00	127977.00
Alpha-D-Fucose	8905.00	106287.00	100485.00	75841.00	79742.00	59199.00	148367.00	9179.00	85780.00	40844.00	12690.00	92398.00	75432.00	10158.00	95596.00	19633.00	86001.00	158645.00	84917.00	98510.00	1.00	47579.00	94493.00	50612.00	131323.00	101158.00	138465.00	74684.00	1.00	68839.00
PI(16:0/18:2(9Z,12Z))	128618.00	243890.00	194049.00	50491.00	63011.00	67040.00	102334.00	64857.00	287187.00	291175.00	21364.00	150576.00	87260.00	56577.00	1.00	161378.00	102342.00	35932.00	20059.00	170634.00	60797.00	88963.00	110695.00	119808.00	94089.00	215814.00	1.00	82772.00	66332.00	732375.00
C3 H6 O	54657.00	179995.00	49918.00	53519.00	121272.00	124566.00	59064.00	1.00	33417.00	33336.00	15475.00	12328.00	56400.00	151084.00	48069.00	36350.00	1.00	1.00	104409.00	34206.00	17388.00	107706.00	9552.00	23318.00	1.00	77300.00	15141.00	81869.00	73835.00	13662.00
Neoilludin A	54676.00	59326.00	80059.00	38902.00	72180.00	59820.00	107753.00	83964.00	97324.00	99465.00	91535.00	76115.00	85422.00	58254.00	89587.00	111512.00	146434.00	93086.00	92334.00	53429.00	58732.00	63688.00	110349.00	72045.00	97457.00	97617.00	103401.00	81364.00	139320.00	110791.00
PE(20:2(11Z,14Z)/0:0)	46042.00	149706.00	102430.00	27145.00	31462.00	34153.00	61665.00	31626.00	78412.00	99138.00	12328.00	56399.00	79150.00	35177.00	20794.00	109366.00	60497.00	45752.00	27515.00	69987.00	53582.00	71697.00	44473.00	78764.00	40092.00	67167.00	23050.00	86658.00	70193.00	75947.00
Isoelemicin	19105.00	55667.00	1.00	18264.00	54043.00	62825.00	18969.00	61892.00	1.00	90553.00	32174.00	36270.00	41725.00	28559.00	40635.00	31317.00	139877.00	1.00	63679.00	40403.00	42579.00	120593.00	40676.00	16992.00	28653.00	42862.00	40304.00	34693.00	65357.00	22729.00
C30 H40 N11 O8 Esi-12.846	221032.00	861696.00	408120.00	364338.00	221358.00	190699.00	240638.00	149147.00	322035.00	587612.00	119650.00	319697.00	150510.00	194162.00	119558.00	374961.00	201348.00	149568.00	86182.00	190061.00	416608.00	249179.00	405312.00	269664.00	104243.00	345306.00	85999.00	383191.00	235511.00	601459.00
C3 H Cl N O5 S2	118672.00	116109.00	119057.00	117470.00	127325.00	125797.00	120564.00	132888.00	121558.00	131079.00	120042.00	121006.00	123550.00	128828.00	134386.00	127019.00	126389.00	131455.00	135672.00	133668.00	124309.00	119153.00	122774.00	123665.00	112918.00	130606.00	128582.00	126947.00	128076.00	130825.00
PE(20:4(5Z,8Z,11Z,14Z)/0:0)	15047.00	67827.00	113023.00	10968.00	26831.00	35936.00	30844.00	24508.00	58772.00	86212.00	8243.00	55085.00	13252.00	17145.00	9993.00	58247.00	23253.00	25690.00	10487.00	42795.00	49547.00	26022.00	36424.00	46045.00	21228.00	48714.00	1.00	35959.00	48182.00	30675.00
methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate	51218.00	122753.00	104519.00	79784.00	70664.00	77393.00	66050.00	65024.00	83344.00	85732.00	46149.00	100105.00	73829.00	64767.00	50884.00	67311.00	56637.00	56019.00	53958.00	79593.00	68678.00	81254.00	76483.00	67552.00	51525.00	89942.00	49236.00	96299.00	77173.00	124927.00
C18 H29 N4 O4	19439.00	124707.00	79766.00	50644.00	37535.00	52968.00	36121.00	26276.00	56794.00	66337.00	11659.00	64123.00	37128.00	34262.00	21784.00	42938.00	22728.00	23404.00	28233.00	51363.00	41737.00	52029.00	32994.00	43477.00	19954.00	71275.00	15355.00	77920.00	53332.00	84926.00
PE(16:1(9Z)/20:3(5Z,8Z,11Z))	94485.00	167303.00	198856.00	161869.00	117545.00	55263.00	23683.00	70832.00	193617.00	330845.00	29266.00	203410.00	125304.00	126605.00	48724.00	105549.00	175978.00	79231.00	47829.00	390597.00	38713.00	66437.00	108854.00	93994.00	73632.00	90670.00	26002.00	148996.00	103507.00	220411.00
C6 H8 N6 O2	1.00	1.00	1.00	1.00	32199.00	55316.00	24986.00	7570.00	1.00	1.00	1.00	1.00	1.00	1.00	24370.00	1.00	4809.00	1.00	21294.00	1.00	14789.00	62065.00	4804.00	1.00	1.00	32820.00	1.00	38463.00	1.00	1.00
1,4-Benzenediol, 2,6-bis(1-methylethyl)-, 4-(hydrogen sulfate)	27747.00	19373.00	1.00	1.00	37372.00	35246.00	1.00	34733.00	1.00	46277.00	96286.00	58252.00	55673.00	41969.00	27579.00	47563.00	58613.00	1.00	60619.00	84361.00	11595.00	82183.00	27719.00	15529.00	15684.00	15819.00	23087.00	22424.00	119544.00	12118.00
C19 H27 N8	41049.00	130512.00	112702.00	94934.00	77217.00	86119.00	75718.00	48340.00	100856.00	90811.00	23882.00	101110.00	70591.00	72423.00	38022.00	73418.00	37372.00	52888.00	54413.00	97178.00	74383.00	91525.00	77213.00	73912.00	42684.00	104588.00	26867.00	107418.00	82077.00	121324.00
C4 H4 S3	41001.00	18174.00	47887.00	38655.00	41623.00	40789.00	37047.00	38329.00	23962.00	22511.00	46769.00	32705.00	43847.00	23209.00	40599.00	25943.00	16284.00	17850.00	22004.00	33209.00	45130.00	27526.00	46598.00	37210.00	17283.00	46110.00	20395.00	27209.00	27996.00	27284.00
LysoPE(18:1(11Z)/0:0)	11912.00	109958.00	38401.00	1.00	18317.00	20312.00	18633.00	7361.00	24180.00	51743.00	1.00	47550.00	12134.00	1.00	1.00	42034.00	42597.00	15787.00	1.00	52303.00	15399.00	23831.00	34739.00	31145.00	15279.00	16933.00	1.00	40160.00	19709.00	25841.00
Phytuberin Esi-13.022002	34092.00	105586.00	61615.00	51786.00	43082.00	49179.00	40068.00	32478.00	56597.00	63214.00	14468.00	57985.00	42746.00	39338.00	27419.00	49056.00	30152.00	25938.00	33496.00	52198.00	43811.00	52102.00	41187.00	44288.00	23186.00	60983.00	12314.00	62844.00	51298.00	70238.00
C35 H76 N12 O8	43005.00	121359.00	72650.00	55956.00	44666.00	40541.00	35905.00	26660.00	55751.00	73381.00	23547.00	46029.00	22775.00	32455.00	20955.00	43811.00	38188.00	25259.00	13819.00	39335.00	55798.00	51320.00	56932.00	34133.00	36960.00	78089.00	25104.00	72173.00	63284.00	88514.00
C9 H10 O4 S	3286.00	2534.00	27897.00	1.00	1.00	2544.00	1.00	11448.00	6988.00	5254.00	1.00	6444.00	2218.00	2016.00	1.00	54744.00	1.00	15838.00	3769.00	121343.00	5832.00	7692.00	1.00	7677.00	1.00	5849.00	3355.00	6597.00	1.00	39838.00
PE(18:0/0:0)	20734.00	100209.00	55200.00	11969.00	23067.00	24602.00	23791.00	10201.00	76815.00	80649.00	9123.00	63274.00	17647.00	14426.00	1.00	44113.00	35896.00	22288.00	8068.00	38417.00	22912.00	25699.00	39788.00	33889.00	20930.00	31140.00	1.00	51687.00	29481.00	37569.00
C5 H2 N2 O5	53388.00	60560.00	52098.00	44818.00	41715.00	43173.00	43721.00	37188.00	55569.00	50390.00	48184.00	40235.00	41745.00	40070.00	39507.00	54772.00	51276.00	53279.00	50195.00	46836.00	46712.00	46500.00	46848.00	49892.00	57974.00	65256.00	60068.00	63584.00	60009.00	60275.00
C17 H28 O3 S	134554.00	116508.00	168044.00	88085.00	184344.00	184216.00	181128.00	164468.00	70711.00	130959.00	89901.00	184273.00	161991.00	154379.00	101752.00	157939.00	108266.00	130919.00	78810.00	106981.00	184679.00	194444.00	193911.00	173000.00	121568.00	147198.00	110859.00	187440.00	156234.00	151050.00
C17 H34 N9 O2 Esi-13.601996	40970.00	107924.00	51842.00	44334.00	36476.00	34441.00	29774.00	25377.00	47588.00	57405.00	18956.00	42776.00	22865.00	28586.00	20361.00	39330.00	33870.00	22610.00	14731.00	33189.00	43084.00	39300.00	34550.00	24467.00	32404.00	56413.00	22282.00	54811.00	46508.00	67004.00
C20 H36 N13 O2	103551.00	102058.00	103379.00	100420.00	102398.00	99188.00	101688.00	105141.00	103471.00	103426.00	103105.00	105497.00	103092.00	104880.00	101674.00	105824.00	101318.00	101174.00	102124.00	107788.00	104784.00	106086.00	101364.00	102471.00	99426.00	100283.00	106280.00	103246.00	100730.00	100653.00
C22 H40 N7 O3	80664.00	93480.00	98752.00	108739.00	115072.00	111883.00	82704.00	82821.00	116571.00	100363.00	69564.00	90542.00	98347.00	75019.00	90974.00	92722.00	71324.00	75543.00	88408.00	100926.00	94250.00	123691.00	129357.00	74322.00	92007.00	104261.00	49438.00	102425.00	89142.00	104675.00
C27 H48 N4 O4 Esi-13.023996	1.00	65514.00	75957.00	66276.00	75699.00	88267.00	74278.00	52731.00	85605.00	73428.00	35884.00	61492.00	57772.00	63690.00	57103.00	91294.00	61669.00	57267.00	69286.00	84632.00	57103.00	83688.00	52265.00	81107.00	59121.00	82931.00	40526.00	106033.00	56638.00	96874.00
C23 H32 N3 O	25665.00	105812.00	41283.00	29024.00	21270.00	19952.00	18186.00	16376.00	31483.00	42223.00	14245.00	26307.00	12176.00	17149.00	11735.00	24562.00	20174.00	14145.00	9482.00	20280.00	27333.00	24011.00	23986.00	15702.00	18395.00	43536.00	12781.00	41974.00	31611.00	55675.00
His Asn Gly	66059.00	79543.00	78033.00	79107.00	84723.00	65092.00	79466.00	74647.00	81361.00	110611.00	15941.00	68723.00	57961.00	38065.00	74649.00	65807.00	75428.00	65992.00	105623.00	55799.00	85037.00	83264.00	83847.00	77417.00	57997.00	77606.00	83014.00	81138.00	67975.00	84403.00
Phytuberin Esi-13.463998 :1	106863.00	297512.00	218214.00	196006.00	156193.00	163816.00	157909.00	130610.00	207161.00	179637.00	84125.00	212881.00	163445.00	154090.00	111382.00	161701.00	106175.00	120449.00	120872.00	180195.00	155641.00	181001.00	158568.00	155095.00	108911.00	197250.00	84656.00	215565.00	181165.00	251785.00
PE(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-10.9190035	37691.00	70921.00	120557.00	34285.00	35763.00	38151.00	50422.00	24316.00	87170.00	64228.00	12307.00	64823.00	41738.00	32787.00	22355.00	66777.00	31615.00	30765.00	24348.00	40514.00	54690.00	37275.00	45119.00	60337.00	32244.00	69278.00	17858.00	58746.00	63160.00	46404.00
C56 H82 O11	15054.00	111154.00	36476.00	30246.00	17538.00	17894.00	20408.00	12485.00	33663.00	57593.00	1.00	24222.00	8330.00	18781.00	14671.00	29007.00	20126.00	12359.00	8881.00	14353.00	31796.00	25647.00	1.00	24572.00	9282.00	36294.00	8096.00	30118.00	26896.00	49751.00
C3 H2 N3 O S3	36501.00	28785.00	28710.00	25498.00	29373.00	34822.00	28089.00	35101.00	20909.00	23705.00	40851.00	27559.00	18916.00	38799.00	21024.00	38745.00	36759.00	21471.00	46173.00	30855.00	27768.00	37605.00	21799.00	17333.00	27383.00	35918.00	28712.00	29733.00	29448.00	27174.00
4-Sulfocatechol	61397.00	1.00	32053.00	1.00	7504.00	17949.00	10450.00	22723.00	1.00	28846.00	13024.00	10656.00	7439.00	1.00	117077.00	41801.00	52730.00	30267.00	39676.00	8379.00	15158.00	15297.00	11219.00	30563.00	10321.00	11898.00	1.00	10632.00	17733.00	1.00
Aspulvinone H	87372.00	78881.00	74618.00	64802.00	70494.00	66536.00	74705.00	68547.00	77770.00	77676.00	101617.00	72217.00	68928.00	64586.00	78571.00	57677.00	66986.00	53798.00	82964.00	56737.00	72737.00	56126.00	64759.00	66924.00	50048.00	72964.00	67754.00	52006.00	70852.00	66758.00
C17 H28 O3 S Esi-10.423003	243330.00	244677.00	254308.00	217269.00	240536.00	235198.00	237554.00	229099.00	246192.00	246195.00	232883.00	238637.00	250578.00	232650.00	234011.00	251412.00	246956.00	233024.00	182165.00	256789.00	258591.00	248917.00	252709.00	255531.00	224788.00	230418.00	247104.00	243902.00	247099.00	229221.00
cis,cis-2,4-Dihydroxy-5-methyl-6-oxo-2,4-hexadienoate Esi-1.8600004	62973.00	156588.00	47106.00	43570.00	122119.00	114431.00	63813.00	1.00	33656.00	22068.00	15774.00	16375.00	54862.00	141288.00	40603.00	29346.00	1.00	1.00	108582.00	33755.00	22744.00	94923.00	13146.00	20881.00	1.00	79025.00	12042.00	70171.00	73460.00	22502.00
PE(21:0/0:0)	13222.00	116883.00	64996.00	1.00	12958.00	15128.00	29053.00	8847.00	65588.00	68644.00	1.00	37461.00	6715.00	8978.00	1.00	34333.00	23786.00	19129.00	1.00	19294.00	21817.00	19225.00	31471.00	28572.00	16595.00	33104.00	1.00	34581.00	19345.00	35009.00
Myristic acid	10890.00	107241.00	45396.00	42570.00	27728.00	28128.00	14551.00	21920.00	39460.00	24189.00	9261.00	54346.00	23914.00	17500.00	13158.00	17531.00	17176.00	14924.00	15147.00	29859.00	18918.00	17337.00	24346.00	23895.00	16120.00	26890.00	9307.00	38572.00	19214.00	80828.00
C7 H8 O5 S	16381.00	1.00	21124.00	1.00	8078.00	8292.00	1.00	13033.00	1.00	64072.00	1.00	7377.00	1.00	6981.00	19982.00	1.00	18624.00	9896.00	10201.00	1.00	1.00	1.00	1.00	10545.00	8063.00	1.00	10365.00	111718.00	1.00	1.00
Phytuberin Esi-13.112	34106.00	127305.00	63335.00	47426.00	37148.00	30363.00	28633.00	25851.00	51058.00	59504.00	14478.00	48907.00	14279.00	23652.00	12620.00	41042.00	27658.00	18998.00	6656.00	28987.00	46540.00	44469.00	42961.00	22755.00	30196.00	65693.00	15121.00	60076.00	52491.00	88004.00
C30 H39 N15 O7	47056.00	109779.00	70682.00	63537.00	47595.00	45307.00	50471.00	38008.00	59643.00	82694.00	31954.00	61018.00	38453.00	44823.00	32387.00	63524.00	45658.00	38433.00	27397.00	46290.00	69762.00	53747.00	73553.00	57179.00	31155.00	64659.00	25531.00	67421.00	51964.00	86639.00
510.3434@13.6900015	11987.00	115365.00	22698.00	15502.00	2282.00	8328.00	9643.00	3672.00	7366.00	55590.00	5469.00	28147.00	10729.00	18769.00	6487.00	16346.00	4219.00	7331.00	4612.00	29781.00	11652.00	21172.00	5108.00	8346.00	4001.00	15950.00	3403.00	29579.00	14397.00	49773.00
PS(21:0/0:0)	20586.00	114997.00	47330.00	13046.00	21299.00	19437.00	22235.00	10030.00	42986.00	46405.00	1.00	36709.00	33887.00	14449.00	9845.00	43112.00	51620.00	17688.00	9695.00	49305.00	21581.00	25995.00	33052.00	30694.00	22255.00	32249.00	1.00	48086.00	23098.00	48616.00
C30 H49 N2 O15	40110.00	114232.00	85501.00	20276.00	44153.00	47857.00	52828.00	25009.00	89641.00	84612.00	13004.00	78584.00	27591.00	28922.00	19438.00	66455.00	49842.00	45253.00	17118.00	57031.00	58608.00	49270.00	67518.00	57763.00	38980.00	59104.00	14990.00	70594.00	51954.00	70882.00
3-hydroxy-3-methyl-Glutaric acid	124825.00	97277.00	90503.00	140527.00	91547.00	98325.00	119582.00	96338.00	93195.00	131670.00	156728.00	99265.00	133336.00	138520.00	100998.00	90714.00	91825.00	87707.00	104497.00	91105.00	177851.00	97332.00	89077.00	126672.00	88763.00	100296.00	109223.00	112828.00	176921.00	94994.00
C7 H8 N2 O S	1.00	1.00	1.00	1.00	54425.00	32923.00	11750.00	39376.00	1.00	1.00	1.00	1.00	1.00	1.00	33933.00	1.00	30573.00	1.00	64029.00	1.00	7136.00	107254.00	1.00	1.00	1.00	50127.00	1.00	31993.00	1.00	1.00
Phytuberin Esi-14.083995	43998.00	95709.00	71678.00	61970.00	58475.00	58363.00	55000.00	45545.00	60692.00	64288.00	50197.00	67542.00	55110.00	52549.00	38596.00	54333.00	46770.00	45423.00	36156.00	59204.00	58869.00	61569.00	92129.00	49289.00	37758.00	64630.00	35226.00	64968.00	61651.00	80028.00
cis,cis-2,4-Dihydroxy-5-methyl-6-oxo-2,4-hexadienoate Esi-2.6819994	57893.00	87851.00	74096.00	96006.00	103920.00	112030.00	89861.00	44537.00	33842.00	52561.00	64387.00	104489.00	132562.00	84574.00	59673.00	52134.00	26301.00	64074.00	31553.00	55865.00	97367.00	78424.00	69975.00	61023.00	48973.00	113494.00	37096.00	77686.00	106623.00	95712.00
L-Glutamate	31641.00	9341.00	46390.00	15812.00	58910.00	27886.00	33283.00	51105.00	30205.00	69736.00	114013.00	45318.00	111449.00	54225.00	34939.00	33423.00	13960.00	50541.00	25160.00	34011.00	34007.00	45557.00	49473.00	37695.00	59560.00	24125.00	22477.00	38761.00	34498.00	37792.00
C18 H37 N23 O	12378.00	118760.00	55259.00	1.00	8309.00	10109.00	46488.00	15120.00	35183.00	31086.00	1.00	67828.00	8492.00	7471.00	13054.00	50997.00	39732.00	32942.00	9299.00	44555.00	27607.00	16919.00	34474.00	64224.00	18840.00	40003.00	1.00	38828.00	22188.00	52243.00
L-Valine	50884.00	65303.00	96886.00	42531.00	66869.00	67220.00	62507.00	76267.00	72993.00	84284.00	48467.00	97200.00	67324.00	52826.00	85456.00	47842.00	56770.00	86810.00	50443.00	92781.00	64984.00	66257.00	78246.00	59969.00	46168.00	79724.00	49082.00	82188.00	69685.00	114671.00
3-(Pyrazol-1-yl)-L-alanine	56398.00	69864.00	88115.00	65644.00	57562.00	62275.00	66828.00	93849.00	100371.00	84079.00	60535.00	62599.00	89214.00	36598.00	93779.00	56365.00	82785.00	104930.00	67115.00	89018.00	68907.00	60170.00	86905.00	65840.00	54939.00	72137.00	58465.00	71380.00	34913.00	61678.00
Di-n-decyl phthalate	8626.00	121904.00	90925.00	47640.00	30679.00	16625.00	45627.00	19883.00	85710.00	1.00	17744.00	78811.00	15107.00	29267.00	16024.00	26984.00	1.00	59241.00	1.00	25202.00	80489.00	96615.00	31032.00	58391.00	24530.00	81338.00	20973.00	35420.00	58089.00	121202.00
DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0/0:0) Esi-13.606997	10414.00	102361.00	29393.00	15787.00	10494.00	8128.00	6320.00	301537.00	19644.00	29615.00	243899.00	14292.00	245877.00	5806.00	220500.00	11850.00	7479.00	281469.00	152037.00	7861.00	15187.00	13309.00	14363.00	355128.00	8200.00	34421.00	261917.00	29825.00	21148.00	51164.00
Phenylalanine	49284.00	67136.00	87606.00	65024.00	66640.00	75664.00	70073.00	82468.00	96142.00	72232.00	56227.00	95020.00	76878.00	55799.00	100548.00	56022.00	68891.00	72055.00	58227.00	92805.00	53479.00	64406.00	90595.00	88575.00	54911.00	74337.00	91925.00	77439.00	56971.00	97437.00
C3 H4 N2 S2 Esi-4.5540004	1.00	1.00	1.00	1.00	25311.00	57665.00	40528.00	47938.00	1.00	1.00	1.00	1.00	1.00	1.00	72767.00	1.00	61973.00	1.00	27779.00	1.00	46052.00	50464.00	25828.00	1.00	1.00	75161.00	1.00	45377.00	1.00	1.00
L-Tryptophan	55629.00	52437.00	82267.00	22261.00	48803.00	54857.00	45364.00	83694.00	70978.00	78174.00	46737.00	70338.00	46941.00	52540.00	59997.00	55379.00	55312.00	87278.00	26106.00	53739.00	44522.00	59254.00	95930.00	56850.00	42672.00	48112.00	62468.00	59575.00	42580.00	95849.00
C30 H47 N6 O9	12397.00	111690.00	45609.00	1.00	18177.00	18323.00	22950.00	1.00	35227.00	35579.00	1.00	39631.00	11514.00	7241.00	1.00	36390.00	45646.00	20568.00	1.00	37104.00	19410.00	19428.00	26731.00	28265.00	13387.00	21028.00	1.00	37804.00	18981.00	21905.00
11S-hydroxy-hexadecanoic acid	14030.00	92635.00	25998.00	22338.00	16993.00	15014.00	13523.00	10993.00	23154.00	21624.00	9657.00	18690.00	12915.00	14032.00	9965.00	17696.00	10020.00	11734.00	9274.00	18019.00	14989.00	18417.00	22480.00	13819.00	10041.00	23991.00	8290.00	21001.00	14384.00	34750.00
3-oxo-4-methyl-pentanoic acid	32371.00	56734.00	65037.00	38262.00	36659.00	52863.00	59716.00	55889.00	49241.00	37019.00	24011.00	63805.00	25461.00	43906.00	58684.00	34034.00	54072.00	60234.00	12363.00	100367.00	49171.00	46881.00	66376.00	40356.00	33228.00	71746.00	44822.00	51274.00	42603.00	68192.00
1-(3-Carboxypropyl)-3,7-dimethylxanthine	39085.00	90727.00	34588.00	53089.00	84203.00	114567.00	51390.00	10246.00	15169.00	28417.00	1.00	11013.00	27515.00	94298.00	49630.00	44380.00	1.00	11475.00	73730.00	69967.00	10007.00	145208.00	9442.00	12445.00	1.00	56657.00	1.00	70955.00	28638.00	30686.00
C18 H39 N20 O2	208811.00	1800984.00	75053.00	55752.00	26045.00	272693.00	30670.00	14651.00	64962.00	58930.00	52455.00	58656.00	196602.00	8614.00	106817.00	587600.00	81762.00	308610.00	105980.00	579630.00	322725.00	312071.00	37078.00	438884.00	31115.00	54427.00	85400.00	631356.00	311177.00	380145.00
C8 N O2 S	44587.00	24954.00	44482.00	21379.00	57247.00	62435.00	52294.00	77808.00	46091.00	45638.00	83899.00	35843.00	39006.00	63862.00	90090.00	62950.00	64470.00	44154.00	95132.00	72509.00	28164.00	47737.00	68123.00	42326.00	44934.00	34952.00	54200.00	39309.00	46665.00	59943.00
326.192@11.220999	80629.00	141708.00	103822.00	111418.00	82946.00	47354.00	80813.00	103206.00	98059.00	117969.00	108206.00	113161.00	110740.00	75935.00	88759.00	107899.00	54510.00	124706.00	114067.00	128423.00	145935.00	116828.00	57821.00	79884.00	70517.00	83274.00	52749.00	90264.00	106356.00	94854.00
MID42355:1?,25-dihydroxy-24a,24b,24c-trihomo-22-thia-20-epivitamin D3 / 1?,25-dihydroxy-24a,24b,24c-	9034.00	96790.00	31656.00	23883.00	10878.00	11568.00	8262.00	1.00	26136.00	35107.00	1.00	29954.00	1.00	9629.00	1.00	17576.00	8923.00	1.00	1.00	14039.00	18030.00	17615.00	15807.00	8024.00	7341.00	31934.00	1.00	33465.00	24148.00	52426.00
C10 H13 N5 O7	1.00	1.00	1.00	1.00	20749.00	47715.00	50573.00	52704.00	1.00	1.00	1.00	1.00	1.00	3386.00	52616.00	1.00	66651.00	1.00	38256.00	1.00	88182.00	27854.00	32123.00	1.00	1.00	80361.00	1.00	48966.00	1.00	1.00
Chinomethionat	82976.00	82215.00	81230.00	77263.00	79394.00	77256.00	74176.00	77242.00	74016.00	74339.00	74377.00	70064.00	70545.00	72565.00	69371.00	71127.00	64840.00	66712.00	72882.00	69211.00	70720.00	68740.00	68303.00	68982.00	61502.00	64729.00	66035.00	64730.00	64542.00	60329.00
C10 H12 O6 S	2839.00	3510.00	1.00	1.00	1.00	1.00	1.00	2744.00	1.00	2349.00	11432.00	83439.00	1.00	1.00	3043.00	3015.00	1.00	1.00	82957.00	2785.00	1.00	1.00	31737.00	2118.00	6129.00	2159.00	30701.00	5419.00	66720.00	14940.00
Neoilludin A Esi-6.179998	36046.00	48114.00	43046.00	44542.00	43248.00	42404.00	59579.00	47595.00	59056.00	61937.00	76551.00	62734.00	43621.00	41189.00	50503.00	69208.00	88313.00	50358.00	50286.00	38936.00	51911.00	52463.00	62436.00	52758.00	52854.00	86262.00	77120.00	42464.00	102006.00	64227.00
2,4-Diamino-6,7-dimethoxyquinazoline	14894.00	24216.00	14842.00	21747.00	36501.00	44820.00	21070.00	1.00	1.00	13724.00	1.00	1.00	8320.00	59585.00	39479.00	33331.00	1.00	1.00	33223.00	25333.00	1.00	87657.00	1.00	1.00	1.00	25015.00	1.00	24910.00	9490.00	12391.00
C24 H34 N16 O8	25566.00	93851.00	42550.00	40330.00	24354.00	22840.00	26300.00	17081.00	34610.00	68171.00	13537.00	33440.00	16811.00	21106.00	14037.00	44674.00	21986.00	16982.00	9498.00	20013.00	47341.00	27550.00	41264.00	32082.00	11613.00	37793.00	9765.00	40755.00	25331.00	63827.00
p-Hydroxyfelbamate	48490.00	84399.00	8539.00	65975.00	55282.00	48896.00	19543.00	1.00	65684.00	48443.00	46041.00	1.00	17312.00	13644.00	1.00	1.00	1.00	16795.00	1.00	10060.00	1.00	1.00	16605.00	85848.00	55717.00	76793.00	19637.00	56747.00	1.00	33944.00
C9 H18 O7	26589.00	64861.00	45703.00	30292.00	45962.00	41337.00	16680.00	1.00	16144.00	30865.00	1.00	7959.00	17077.00	92180.00	18555.00	22198.00	1.00	8158.00	39253.00	65892.00	1.00	39672.00	7663.00	11345.00	1.00	20330.00	1.00	28793.00	15276.00	28422.00
PE(20:0/0:0)	8724.00	93698.00	49729.00	1.00	14926.00	15287.00	16515.00	1.00	44106.00	45873.00	1.00	36378.00	6477.00	9147.00	1.00	21228.00	19240.00	15341.00	1.00	1.00	20556.00	12773.00	28950.00	17042.00	13639.00	23223.00	1.00	31540.00	18275.00	16867.00
Indoxylsulfuric acid	67991.00	1.00	30027.00	8560.00	7125.00	16239.00	1.00	84642.00	1.00	47165.00	47450.00	8643.00	1.00	17511.00	23720.00	7569.00	43859.00	23579.00	8541.00	1.00	1.00	1.00	14608.00	14801.00	11590.00	19172.00	1.00	7831.00	7798.00	1.00
(3S,5R,6S)-5,6-epoxy-3-hydroxy-5,6-dihydro-12'-apo-beta-caroten-12'-al	11139.00	89592.00	36621.00	29456.00	20333.00	23600.00	21024.00	12487.00	36948.00	27546.00	1.00	37967.00	20572.00	21172.00	11591.00	22753.00	8682.00	11584.00	11917.00	33123.00	21008.00	28934.00	21120.00	19411.00	10318.00	33603.00	1.00	42952.00	25786.00	48129.00
C18 H30 O3 S	30044.00	273770.00	75353.00	68635.00	40605.00	55363.00	41415.00	35036.00	73985.00	63240.00	22240.00	93010.00	43406.00	49892.00	30974.00	55724.00	28667.00	36589.00	33302.00	67453.00	56561.00	69540.00	40910.00	44271.00	30826.00	78579.00	25249.00	104986.00	55244.00	113493.00
C7 H14 N2 O6	50461.00	42056.00	83911.00	49056.00	31654.00	77296.00	63737.00	55127.00	30885.00	37285.00	48250.00	68447.00	22469.00	37180.00	83496.00	54120.00	51453.00	78574.00	26098.00	64492.00	40049.00	68355.00	89159.00	55454.00	40190.00	74188.00	24216.00	63574.00	18963.00	93168.00
Patulin	19389.00	1.00	19817.00	1.00	1.00	9555.00	8637.00	83696.00	1.00	90339.00	17158.00	15953.00	11575.00	14906.00	10872.00	34340.00	23728.00	26979.00	1.00	50867.00	1.00	1.00	1.00	10963.00	13163.00	1.00	1.00	24244.00	1.00	13576.00
Testosterone sulfate	1.00	7515.00	17894.00	72023.00	19150.00	31956.00	1.00	7870.00	36791.00	17566.00	1.00	1.00	1.00	1.00	11909.00	1.00	1.00	30575.00	1.00	8855.00	32728.00	1.00	1.00	38535.00	1.00	19918.00	9699.00	13458.00	1.00	22068.00
C3 H6 N2 O3 S2 Esi-0.8269998 :1	227564.00	204874.00	229663.00	237686.00	222031.00	235538.00	230130.00	246236.00	230349.00	221001.00	273600.00	245149.00	231741.00	243475.00	267724.00	269765.00	265686.00	261586.00	269239.00	267755.00	256004.00	244351.00	266222.00	236734.00	213801.00	211100.00	231800.00	254120.00	270441.00	252262.00
4-Methylumbelliferyl sulfate	76078.00	1.00	79497.00	1.00	9878.00	52269.00	1.00	76472.00	10229.00	39442.00	46785.00	21163.00	1.00	57268.00	52861.00	26404.00	42632.00	37392.00	28156.00	1.00	27511.00	28750.00	28055.00	21999.00	44476.00	33589.00	36385.00	23661.00	13978.00	1.00
C18 H30 O3 S Esi-13.020997	6284.00	70193.00	23426.00	11745.00	9732.00	15042.00	9867.00	8141.00	14867.00	19498.00	1.00	19831.00	9526.00	9420.00	10909.00	14698.00	10322.00	1.00	8662.00	14832.00	9899.00	13374.00	6000.00	9550.00	1.00	22446.00	1.00	26980.00	13176.00	27257.00
Fexofenadine	22290.00	109959.00	62686.00	1.00	36598.00	29632.00	49262.00	16946.00	44306.00	68612.00	7019.00	90621.00	19931.00	16738.00	15185.00	51638.00	44962.00	32616.00	23511.00	53617.00	40328.00	35206.00	48684.00	56537.00	34482.00	42188.00	20807.00	70589.00	40386.00	34523.00
C37 H72 O4 S	7022.00	82964.00	45889.00	24198.00	16916.00	25252.00	14759.00	10865.00	26760.00	33123.00	1.00	28410.00	16855.00	14671.00	9291.00	19713.00	9076.00	9594.00	10894.00	22364.00	18405.00	21948.00	14106.00	18060.00	7545.00	33547.00	1.00	37034.00	24158.00	41984.00
C52 H88 N O S2	68626.00	144080.00	67422.00	58545.00	47931.00	83473.00	83063.00	32140.00	101963.00	76671.00	56043.00	80853.00	85822.00	36871.00	47505.00	83048.00	27667.00	75506.00	39227.00	52645.00	40346.00	95633.00	48266.00	82057.00	47833.00	63933.00	42279.00	62321.00	96299.00	72178.00
C8 H13 N O10	1.00	1.00	1.00	1.00	27842.00	45960.00	45716.00	45606.00	1.00	1.00	1.00	1.00	1.00	1.00	62484.00	1.00	51315.00	1.00	29228.00	1.00	46950.00	48232.00	29405.00	1.00	1.00	62766.00	1.00	52438.00	1.00	1.00
C14 H27 N7 O3	40516.00	91796.00	72013.00	66082.00	51576.00	57024.00	51033.00	45809.00	68592.00	62487.00	35265.00	70434.00	55307.00	47559.00	39375.00	51358.00	39196.00	46444.00	48447.00	65247.00	55515.00	58125.00	47808.00	55729.00	43968.00	70455.00	38826.00	75805.00	53671.00	80001.00
C32 H47 N3 O10	15906.00	82033.00	58298.00	1.00	15154.00	19962.00	39585.00	11795.00	31142.00	38101.00	1.00	40396.00	16610.00	6627.00	9586.00	53700.00	32147.00	32156.00	12800.00	35264.00	34286.00	30744.00	20567.00	48967.00	14297.00	23005.00	11778.00	42137.00	30973.00	21502.00
13-eicosenoic acid	7500.00	68607.00	25755.00	26693.00	14618.00	14713.00	9004.00	1.00	20353.00	24359.00	1.00	19146.00	8656.00	13099.00	1.00	11509.00	1.00	7331.00	1.00	18040.00	12138.00	20673.00	12863.00	10214.00	1.00	15634.00	1.00	27122.00	12186.00	26276.00
C22 H40 N7 O3 Esi-13.024996	56540.00	46080.00	55051.00	45129.00	49458.00	52065.00	42612.00	29550.00	44961.00	40691.00	24055.00	47105.00	38940.00	40195.00	36445.00	55917.00	31561.00	35482.00	39627.00	53114.00	37571.00	43963.00	46938.00	45332.00	40233.00	52374.00	21249.00	43694.00	31267.00	60842.00
C26 H42 N6 O4 S	13486.00	68421.00	52202.00	36703.00	25844.00	15611.00	11756.00	12230.00	24952.00	77109.00	10339.00	24906.00	58715.00	21222.00	9442.00	38021.00	21037.00	12273.00	6438.00	37866.00	18555.00	22024.00	22486.00	29112.00	8635.00	47072.00	1.00	37728.00	38181.00	46482.00
C30 H58 N6 O2	11235.00	97666.00	51111.00	30755.00	22022.00	21698.00	22806.00	15943.00	39725.00	32392.00	6689.00	44603.00	19340.00	17960.00	10114.00	23997.00	11122.00	16544.00	13377.00	32478.00	29855.00	31086.00	21918.00	22891.00	13254.00	39046.00	6248.00	41838.00	24723.00	63190.00
(S)-ACPA	45453.00	56918.00	55479.00	54148.00	57523.00	42249.00	55288.00	52279.00	62929.00	78105.00	13397.00	47050.00	45799.00	29245.00	59212.00	45572.00	57419.00	59344.00	72785.00	43223.00	56097.00	61364.00	55385.00	47358.00	37760.00	56877.00	60110.00	56863.00	46260.00	58036.00
C7 H2 O9 S3	1.00	1.00	1.00	1.00	33135.00	61663.00	48871.00	53666.00	1.00	1.00	1.00	1.00	1.00	1.00	70856.00	1.00	59542.00	1.00	34733.00	1.00	55812.00	57451.00	34354.00	1.00	1.00	73050.00	1.00	53430.00	1.00	1.00
C10 H2 N4 O11 S	68644.00	64395.00	60445.00	61005.00	68711.00	68117.00	65237.00	71987.00	69464.00	70920.00	67201.00	58957.00	65635.00	68866.00	76281.00	67538.00	66006.00	71676.00	73216.00	66032.00	70530.00	68251.00	70290.00	62988.00	55344.00	67638.00	68107.00	66796.00	62437.00	62250.00
C5 H2 N O2 S2	66390.00	65158.00	65775.00	62979.00	67639.00	68107.00	69451.00	68612.00	68244.00	68395.00	65714.00	66377.00	69442.00	67603.00	73815.00	66825.00	69367.00	67456.00	70181.00	73394.00	67242.00	66402.00	66020.00	65264.00	60828.00	71455.00	67521.00	68539.00	62866.00	67990.00
Phytuberin Esi-13.727998	136099.00	225568.00	183700.00	165543.00	139075.00	128633.00	133381.00	118942.00	159202.00	183166.00	17382.00	157210.00	157408.00	130317.00	101074.00	148588.00	135862.00	129711.00	84657.00	137849.00	153233.00	142224.00	155013.00	120968.00	131859.00	167927.00	117261.00	174351.00	168090.00	193422.00
6-hydroxy caproic acid	89051.00	88195.00	86026.00	88092.00	81998.00	81143.00	87237.00	62428.00	170686.00	99937.00	90139.00	97504.00	92384.00	96571.00	59764.00	53177.00	189828.00	217121.00	95369.00	20345.00	84652.00	78188.00	90664.00	97103.00	70422.00	115876.00	197887.00	115502.00	74772.00	87751.00
C7 H3 N2 O	10392.00	6612.00	9498.00	6207.00	18400.00	15577.00	14206.00	23623.00	12913.00	17744.00	41191.00	9170.00	10620.00	23739.00	31977.00	16649.00	17912.00	17842.00	34201.00	18710.00	6667.00	9419.00	17467.00	11381.00	12563.00	8994.00	18351.00	9920.00	14696.00	15857.00
C18 H30 O3 S Esi-10.975003	202681.00	250415.00	165398.00	186225.00	179104.00	215882.00	179467.00	200531.00	217788.00	226371.00	171332.00	191180.00	205364.00	183762.00	172596.00	214199.00	168523.00	213156.00	214521.00	198710.00	240972.00	224961.00	245430.00	250743.00	162983.00	222794.00	210589.00	177960.00	211335.00	194471.00
C17 H28 O3 S Esi-13.730001	38695.00	74503.00	42828.00	39544.00	32634.00	35193.00	36090.00	23900.00	41494.00	51311.00	15807.00	40710.00	34247.00	29128.00	20463.00	38358.00	33055.00	26178.00	12980.00	42307.00	46322.00	35385.00	38738.00	30131.00	32145.00	58316.00	25122.00	58262.00	39648.00	67387.00
C14 H10 N O3	44068.00	34688.00	42936.00	48252.00	46233.00	33050.00	30649.00	1.00	68357.00	40064.00	1.00	44593.00	87459.00	36075.00	1.00	41876.00	35737.00	1.00	1.00	55725.00	52978.00	35556.00	39572.00	44800.00	1.00	131980.00	1.00	59547.00	37737.00	147171.00
C16 H26 O3 S	68604.00	68669.00	63279.00	60600.00	57761.00	68324.00	65884.00	68623.00	49133.00	68401.00	64326.00	62775.00	59508.00	51463.00	65027.00	55498.00	66145.00	58923.00	63939.00	54485.00	63334.00	46467.00	63543.00	62803.00	59767.00	78659.00	62040.00	66145.00	73558.00	57817.00
C30 H51 N O20	34536.00	74280.00	63296.00	17965.00	36851.00	37964.00	41773.00	21466.00	66089.00	61428.00	11065.00	59907.00	24330.00	25111.00	15864.00	49847.00	41207.00	38526.00	14916.00	45304.00	46144.00	41676.00	51346.00	45567.00	32163.00	45133.00	13756.00	55182.00	41594.00	52768.00
C5 H6 O5 S3	59783.00	63326.00	62244.00	58340.00	64352.00	62486.00	65117.00	64681.00	64615.00	64182.00	63181.00	64050.00	63078.00	68491.00	69168.00	59836.00	63456.00	67007.00	66781.00	63068.00	66487.00	65013.00	69503.00	62180.00	59459.00	67061.00	66696.00	64552.00	63279.00	62266.00
C32 H53 N2 O15	20427.00	106182.00	65254.00	8078.00	20638.00	24493.00	37712.00	14517.00	72450.00	67822.00	8596.00	49904.00	12292.00	15036.00	7605.00	47492.00	31445.00	30141.00	7965.00	29450.00	30816.00	29647.00	40815.00	38178.00	24366.00	41240.00	1.00	46675.00	32837.00	46169.00
C24 H35 N S	37136.00	59230.00	47853.00	39654.00	33720.00	41471.00	33425.00	32981.00	39078.00	40033.00	25969.00	40209.00	35153.00	35623.00	32852.00	36939.00	27731.00	34994.00	29147.00	40098.00	38596.00	41088.00	33742.00	35135.00	29690.00	43462.00	23710.00	47632.00	41787.00	54436.00
C26 H47 N14 O3	71889.00	69111.00	69239.00	62233.00	70249.00	69534.00	69692.00	70592.00	39288.00	61859.00	69233.00	72200.00	71978.00	69240.00	71724.00	73411.00	71003.00	68967.00	70312.00	70681.00	72801.00	73038.00	72966.00	72829.00	68686.00	73234.00	69985.00	72654.00	71490.00	69800.00
LysoPE(0:0/16:0)	19316.00	59542.00	32049.00	7125.00	19008.00	20644.00	14959.00	7937.00	48615.00	51985.00	1.00	42768.00	14105.00	10872.00	1.00	32056.00	24291.00	13853.00	6840.00	29017.00	17790.00	17535.00	29208.00	21112.00	17704.00	17928.00	1.00	29482.00	17898.00	30191.00
179.9851@0.9150004	83588.00	40219.00	78494.00	61078.00	71693.00	71786.00	62517.00	69421.00	47002.00	71801.00	64072.00	68464.00	65264.00	58071.00	63401.00	59868.00	59279.00	51014.00	42397.00	76056.00	59498.00	53273.00	49178.00	55353.00	58066.00	42215.00	50274.00	32987.00	82210.00	85408.00
Oxalosuccinic acid	66943.00	1.00	68816.00	1.00	8505.00	41571.00	1.00	66337.00	11237.00	37247.00	42521.00	19661.00	1.00	51716.00	43366.00	25131.00	41187.00	33167.00	27115.00	1.00	25944.00	25192.00	25282.00	20721.00	41046.00	31272.00	32252.00	22955.00	16249.00	1.00
(S)-2-Ethyl-3-hydroxypropionic acid	17195.00	17127.00	17914.00	24513.00	68949.00	24730.00	30263.00	17085.00	47510.00	23215.00	21035.00	29050.00	22444.00	19120.00	27586.00	10470.00	28427.00	32348.00	16663.00	55977.00	22249.00	20684.00	28781.00	17376.00	23166.00	34102.00	17656.00	24398.00	17552.00	36455.00
Thyrotropin releasing hormone	58201.00	59784.00	60786.00	58970.00	64420.00	60151.00	58795.00	61158.00	61020.00	58497.00	66512.00	60469.00	63067.00	61233.00	60296.00	59353.00	58806.00	59866.00	62092.00	62310.00	59310.00	59902.00	62040.00	63881.00	54517.00	62471.00	61923.00	61398.00	59861.00	58114.00
C5 H13 N5 O6	53718.00	50398.00	56274.00	56996.00	54705.00	55710.00	57764.00	55815.00	51323.00	49025.00	49160.00	54709.00	55723.00	55735.00	58489.00	55316.00	57937.00	54971.00	52517.00	52505.00	55513.00	59139.00	55000.00	60723.00	51908.00	59793.00	58008.00	61038.00	54308.00	56066.00
6-hydroxy caproic acid Esi-3.9020002	75090.00	77214.00	59417.00	88837.00	72702.00	156322.00	82181.00	76489.00	170429.00	82623.00	83211.00	82890.00	172836.00	89970.00	189572.00	155051.00	167225.00	82154.00	61372.00	15690.00	84870.00	65860.00	82701.00	76232.00	55848.00	77488.00	62806.00	85282.00	60460.00	77390.00
C20 H34 O2	1.00	62843.00	18930.00	14661.00	1.00	1.00	1.00	1.00	12502.00	12222.00	1.00	22313.00	1.00	1.00	1.00	7409.00	1.00	1.00	1.00	9633.00	12136.00	6757.00	9608.00	8662.00	1.00	23822.00	1.00	18298.00	13366.00	60823.00
N-Hydroxy-L-phenylalanine	24356.00	27759.00	30325.00	23481.00	24516.00	28173.00	22881.00	39155.00	27756.00	50062.00	20187.00	33721.00	38041.00	23028.00	31826.00	22645.00	33649.00	29428.00	27969.00	39897.00	20515.00	24461.00	45070.00	30684.00	22312.00	27238.00	45108.00	30986.00	22107.00	64154.00
3-oxo-4-methyl-pentanoic acid Esi-3.8919988	35554.00	32956.00	54543.00	34734.00	33158.00	44243.00	38108.00	47187.00	33549.00	45061.00	24951.00	44206.00	22469.00	39792.00	35669.00	24638.00	41456.00	48918.00	15090.00	66952.00	39316.00	42249.00	56483.00	34964.00	31938.00	44829.00	31380.00	37560.00	42811.00	57125.00
Lauryl hydrogen sulfate	40738.00	37518.00	35351.00	30816.00	61891.00	32270.00	33992.00	29172.00	32101.00	50751.00	33864.00	30544.00	33859.00	30322.00	30870.00	29195.00	32547.00	31073.00	33397.00	33225.00	33674.00	34006.00	35159.00	32532.00	28122.00	34287.00	31700.00	29605.00	31945.00	31833.00
C37 H74 O4 S	6771.00	64119.00	35078.00	26149.00	17883.00	20121.00	17486.00	9085.00	27963.00	24777.00	1.00	27780.00	14586.00	17312.00	6599.00	15495.00	1.00	9769.00	10444.00	24310.00	16665.00	22998.00	18540.00	15516.00	7104.00	27331.00	1.00	33109.00	21321.00	37117.00
C30 H44 N S	56540.00	51237.00	37361.00	45020.00	49897.00	47246.00	35486.00	28270.00	45059.00	39255.00	21063.00	38630.00	20873.00	34302.00	20374.00	50591.00	30839.00	35482.00	31183.00	47204.00	40018.00	47198.00	52803.00	47077.00	34563.00	50490.00	21249.00	42350.00	31267.00	72285.00
C18 H30 O3 S Esi-13.730001	27842.00	57222.00	35368.00	34851.00	23937.00	29267.00	28373.00	19728.00	32351.00	41631.00	14234.00	34669.00	23476.00	23062.00	17681.00	31640.00	27959.00	25725.00	13576.00	31932.00	32132.00	29399.00	29328.00	19423.00	28052.00	48240.00	17240.00	44049.00	37969.00	45033.00
C5 H Cl N2 S	19079.00	12291.00	18398.00	13203.00	24162.00	24721.00	22237.00	29255.00	18520.00	20402.00	31066.00	18093.00	16964.00	23240.00	31443.00	25777.00	27906.00	18879.00	35528.00	31105.00	12702.00	22150.00	29674.00	22616.00	20934.00	17081.00	22545.00	19109.00	23678.00	25621.00
Di-n-decyl phthalate Esi-13.208004	8626.00	50522.00	48405.00	21781.00	17606.00	8761.00	27466.00	10609.00	44396.00	1.00	18689.00	40234.00	10134.00	20840.00	9738.00	11436.00	1.00	36019.00	1.00	9953.00	44087.00	56434.00	16176.00	32333.00	14104.00	31848.00	13044.00	18423.00	24580.00	69955.00
C17 H38 N15	48690.00	115627.00	91056.00	86410.00	61099.00	59766.00	58980.00	49695.00	74463.00	57759.00	1.00	74348.00	66162.00	50762.00	1.00	61908.00	53418.00	55905.00	64483.00	79956.00	61711.00	81113.00	62175.00	50652.00	1.00	69093.00	1.00	69524.00	58843.00	102931.00
340.2076@11.487	63606.00	67744.00	61833.00	44512.00	60523.00	60838.00	64128.00	61197.00	69514.00	65833.00	60434.00	65788.00	64962.00	67214.00	66714.00	60686.00	43801.00	65005.00	69754.00	69054.00	62613.00	41089.00	62295.00	47085.00	55918.00	66153.00	45606.00	64823.00	68303.00	65831.00
C23 H46 O6	15022.00	58591.00	24682.00	18995.00	14410.00	12860.00	11435.00	8224.00	17857.00	28223.00	1.00	14213.00	1.00	9044.00	1.00	15020.00	10587.00	6960.00	1.00	13252.00	17232.00	15477.00	17088.00	8551.00	10554.00	29537.00	7252.00	27972.00	20615.00	36733.00
Asn His	36489.00	46582.00	39306.00	37301.00	27498.00	33221.00	35147.00	46179.00	60034.00	47531.00	17950.00	53107.00	41955.00	16486.00	33134.00	17398.00	35571.00	55343.00	39814.00	49519.00	50889.00	24352.00	61528.00	55479.00	43267.00	40300.00	41530.00	41348.00	32745.00	43153.00
Mecarbinzid	249276.00	123834.00	128022.00	222688.00	126587.00	128317.00	178588.00	125436.00	114415.00	229789.00	335333.00	145000.00	219394.00	222476.00	120292.00	123786.00	115147.00	103349.00	131947.00	124760.00	387856.00	153175.00	128439.00	239716.00	135687.00	148156.00	135298.00	162747.00	351834.00	147944.00
C17 H25 N O6	17322.00	13364.00	25008.00	19297.00	20175.00	19157.00	16496.00	16464.00	26317.00	15891.00	54763.00	19567.00	20112.00	16925.00	21062.00	15483.00	17969.00	33658.00	22688.00	31145.00	27302.00	24564.00	29082.00	13825.00	15144.00	19791.00	24570.00	21372.00	30049.00	27692.00
Phytuberin Esi-10.0580015	39179.00	37745.00	38555.00	47772.00	39141.00	38529.00	40312.00	37592.00	47101.00	38604.00	44369.00	39886.00	45470.00	50295.00	43425.00	50014.00	51884.00	54545.00	48133.00	49815.00	42631.00	51356.00	51526.00	44119.00	50874.00	53346.00	47763.00	47366.00	48966.00	45854.00
17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-(hydrogensuccinate)	24567.00	35661.00	32658.00	27450.00	27912.00	24512.00	33960.00	31013.00	34271.00	45578.00	39271.00	35800.00	29780.00	25499.00	31346.00	37465.00	48266.00	28376.00	28849.00	24876.00	30795.00	26772.00	39390.00	31571.00	24336.00	40799.00	33064.00	25423.00	50645.00	38230.00
Phytuberin Esi-13.463998 :2	106918.00	303577.00	221567.00	196539.00	163362.00	164110.00	158027.00	129076.00	209193.00	180988.00	84054.00	214989.00	164030.00	157940.00	109960.00	161997.00	102472.00	118345.00	124630.00	182511.00	156468.00	181722.00	160812.00	153592.00	109256.00	198694.00	84433.00	213045.00	174229.00	257021.00
cholesterol sulfate Esi-13.368998	91968.00	563307.00	383654.00	283133.00	194500.00	107389.00	79146.00	82385.00	188909.00	574993.00	66241.00	197949.00	450237.00	144668.00	61823.00	285266.00	143298.00	83283.00	45691.00	296030.00	140431.00	160976.00	146717.00	204416.00	63281.00	369910.00	40254.00	292952.00	316747.00	373813.00
C32 H58 O6	8636.00	85968.00	49769.00	13847.00	9265.00	1.00	18267.00	1.00	27547.00	1.00	1.00	26260.00	14970.00	27521.00	1.00	19287.00	1.00	18630.00	1.00	1.00	22175.00	31488.00	28114.00	12941.00	15600.00	28507.00	10467.00	19148.00	17601.00	110488.00
(8)-Gingerol	2165.00	55056.00	20746.00	11976.00	16543.00	10349.00	5157.00	4480.00	26543.00	10224.00	1.00	30754.00	12752.00	7819.00	2976.00	15609.00	2816.00	6286.00	6311.00	35844.00	6146.00	12913.00	17428.00	20243.00	6494.00	26553.00	2115.00	39361.00	14729.00	38099.00
334.1013@1.2459999	27061.00	26445.00	53825.00	18423.00	30322.00	23178.00	25711.00	42100.00	39195.00	23669.00	46657.00	51595.00	37996.00	22992.00	24542.00	26299.00	32907.00	45575.00	21982.00	46958.00	27148.00	17082.00	37919.00	56135.00	33590.00	34074.00	18141.00	39019.00	28872.00	37829.00
C30 H22 N5 O29 S2	17006.00	9587.00	18794.00	8682.00	31061.00	31634.00	16582.00	19139.00	24589.00	13027.00	24856.00	22705.00	13816.00	9706.00	23351.00	42013.00	20951.00	16337.00	8154.00	14037.00	13897.00	53500.00	15855.00	34331.00	8274.00	25160.00	1.00	23280.00	14800.00	12471.00
Dichloroacetyl chloride	14428.00	1.00	24183.00	1.00	37996.00	29137.00	13797.00	19361.00	18909.00	9349.00	33274.00	28591.00	9027.00	9513.00	21081.00	45593.00	20394.00	21991.00	1.00	17116.00	9189.00	57187.00	8033.00	64095.00	8726.00	35012.00	1.00	19859.00	11731.00	11047.00
Montanol	24184.00	56431.00	40042.00	39663.00	33012.00	34664.00	30775.00	26979.00	34797.00	37266.00	22296.00	34441.00	28367.00	31416.00	25317.00	30284.00	27926.00	25830.00	23563.00	31504.00	32761.00	32515.00	35208.00	29650.00	23532.00	37442.00	20190.00	37602.00	32137.00	44963.00
L-Leucine	33415.00	54571.00	60448.00	24874.00	55583.00	56009.00	48001.00	63839.00	52418.00	49227.00	35210.00	64585.00	46623.00	36259.00	74359.00	36264.00	37836.00	46029.00	30129.00	67564.00	40396.00	52858.00	53142.00	46307.00	35093.00	65294.00	39999.00	59441.00	45341.00	81802.00
Aspidinol	51508.00	48887.00	51290.00	51256.00	49932.00	51305.00	50330.00	50850.00	50707.00	51789.00	52769.00	52945.00	56113.00	57403.00	51840.00	54234.00	57123.00	54117.00	56539.00	56120.00	56581.00	60234.00	57668.00	58706.00	55927.00	56351.00	56436.00	57904.00	56690.00	60145.00
181.9803@1.1989999	31611.00	31497.00	29533.00	35634.00	24307.00	12106.00	19482.00	15340.00	38225.00	38307.00	35411.00	35659.00	38049.00	23535.00	10818.00	38007.00	12986.00	41858.00	17341.00	27415.00	13151.00	14000.00	25039.00	29277.00	38607.00	8545.00	42137.00	14888.00	35781.00	31532.00
Diacetyl	65119.00	51619.00	46079.00	66867.00	47313.00	47901.00	56575.00	45200.00	43587.00	60872.00	79080.00	49185.00	66843.00	70190.00	52081.00	46136.00	50909.00	42797.00	46223.00	44105.00	85376.00	52733.00	44629.00	61571.00	49278.00	50240.00	50404.00	55480.00	89811.00	47279.00
C38 H52 N7 O3	8482.00	62026.00	19369.00	13329.00	7549.00	7565.00	14452.00	8007.00	19193.00	30461.00	1.00	13358.00	12467.00	12253.00	11980.00	35096.00	22172.00	14328.00	6090.00	7374.00	16663.00	10726.00	1.00	18005.00	8994.00	26301.00	11812.00	22113.00	28991.00	30071.00
Gln Asn Arg	1.00	52355.00	25130.00	13977.00	11703.00	15528.00	10889.00	8631.00	17514.00	19201.00	1.00	20032.00	11056.00	9838.00	7425.00	13772.00	6699.00	6662.00	8362.00	15319.00	11946.00	14531.00	8070.00	13196.00	6203.00	21069.00	1.00	25273.00	15663.00	27027.00
PS(19:0/0:0)	16503.00	63144.00	54040.00	1.00	15193.00	11864.00	28296.00	8081.00	62133.00	12598.00	1.00	43904.00	22143.00	1.00	7340.00	47059.00	47266.00	34060.00	1.00	66633.00	17851.00	15117.00	40748.00	43556.00	29260.00	30024.00	9443.00	45237.00	21234.00	52760.00
cis,cis-2,4-Dihydroxy-5-methyl-6-oxo-2,4-hexadienoate Esi-1.8600003	62973.00	156588.00	50292.00	52057.00	122033.00	114431.00	63686.00	1.00	32821.00	21396.00	11759.00	21176.00	49602.00	141288.00	40811.00	35211.00	1.00	1.00	107817.00	33737.00	22744.00	94923.00	1.00	20731.00	1.00	79025.00	12042.00	70156.00	73417.00	18341.00
C8 H2 N O S	21967.00	18603.00	22159.00	36983.00	33328.00	35334.00	22151.00	26334.00	30009.00	26697.00	33827.00	21246.00	24599.00	40173.00	43267.00	23538.00	40623.00	35786.00	49586.00	27385.00	18483.00	47469.00	49729.00	18431.00	21412.00	24941.00	22522.00	21197.00	43279.00	31398.00
C34 H56 N2 O8	57077.00	1.00	1.00	1.00	24014.00	22960.00	8020.00	22348.00	1.00	33217.00	12948.00	10695.00	37127.00	21569.00	15916.00	40931.00	42032.00	1.00	1.00	20949.00	23161.00	1.00	1.00	9236.00	1.00	1.00	32178.00	8760.00	14825.00	1.00
L-Leucine Esi-1.8209994	31830.00	49640.00	55283.00	25275.00	49245.00	44195.00	41738.00	32424.00	46021.00	43931.00	27484.00	52652.00	41445.00	33352.00	56064.00	30224.00	34170.00	23532.00	24435.00	60101.00	34227.00	45079.00	27440.00	40003.00	17755.00	28695.00	15696.00	50292.00	38025.00	36426.00
Threonate	81435.00	55593.00	42637.00	39485.00	13893.00	22721.00	43749.00	36352.00	60997.00	29181.00	25976.00	19675.00	36005.00	34472.00	33403.00	44041.00	17752.00	48994.00	13329.00	41588.00	49440.00	14593.00	19954.00	28591.00	13419.00	26889.00	24576.00	45889.00	43564.00	33278.00
cyclandelate	51505.00	56231.00	56088.00	51904.00	53112.00	53107.00	52393.00	52219.00	54286.00	53793.00	50079.00	55025.00	50088.00	51338.00	51004.00	51611.00	55360.00	52122.00	49360.00	55064.00	49528.00	53704.00	51466.00	54355.00	45312.00	51691.00	46438.00	54342.00	53151.00	52545.00
C50 H82 N S	14788.00	64920.00	39988.00	33446.00	25272.00	27462.00	23900.00	14802.00	34885.00	30960.00	9907.00	33843.00	23250.00	23875.00	13807.00	24051.00	14954.00	17962.00	17532.00	30394.00	22635.00	28428.00	25047.00	24040.00	13699.00	34919.00	11449.00	36982.00	25616.00	42596.00
3-Hydroxypropenoate	31035.00	32107.00	34669.00	29707.00	37326.00	46786.00	36543.00	49303.00	39437.00	40630.00	65402.00	36965.00	50156.00	41724.00	59864.00	42389.00	41217.00	45089.00	51384.00	44706.00	30905.00	36727.00	47922.00	36658.00	34590.00	37926.00	42916.00	34063.00	37535.00	42711.00
C17 H28 O3 S Esi-13.47	26696.00	356831.00	94148.00	66509.00	48924.00	53341.00	52562.00	35046.00	80062.00	70441.00	15625.00	88594.00	44846.00	45174.00	15929.00	45726.00	32637.00	34580.00	34711.00	81608.00	46311.00	71307.00	43334.00	39297.00	22810.00	94286.00	16263.00	111406.00	48971.00	132245.00
Proline	22391.00	26194.00	23311.00	24660.00	23620.00	21934.00	24295.00	23866.00	34535.00	42350.00	17139.00	28400.00	25870.00	13295.00	21884.00	14939.00	56966.00	40312.00	29881.00	40705.00	30295.00	28437.00	35561.00	29734.00	33559.00	20279.00	23925.00	21665.00	24234.00	31604.00
C32 H55 N O20	16748.00	79630.00	48358.00	7414.00	19016.00	20711.00	32222.00	12680.00	56398.00	54052.00	6793.00	42262.00	11156.00	14162.00	7633.00	40250.00	27718.00	26482.00	1.00	27114.00	27701.00	24090.00	35314.00	31237.00	21042.00	37896.00	1.00	38116.00	26196.00	38084.00
PE(18:0/0:0) Esi-11.589001	9497.00	45828.00	28148.00	1.00	10010.00	10915.00	12760.00	1.00	29139.00	25812.00	1.00	23443.00	1.00	1.00	1.00	18891.00	12895.00	10080.00	1.00	14831.00	14834.00	12881.00	18603.00	14417.00	9186.00	15565.00	1.00	21384.00	13776.00	19589.00
C34 H58 O8	13818.00	54836.00	35392.00	19541.00	10375.00	10322.00	10642.00	1.00	31755.00	39892.00	1.00	13806.00	26264.00	11793.00	1.00	13315.00	13056.00	1.00	1.00	11663.00	11653.00	19608.00	11588.00	14171.00	10864.00	22565.00	1.00	18168.00	20384.00	31054.00
352.0984@1.2010001	16242.00	36938.00	26687.00	20540.00	30319.00	15879.00	9026.00	1.00	10151.00	18249.00	1.00	6679.00	10423.00	52104.00	6589.00	12067.00	1.00	5857.00	17610.00	37847.00	1.00	19896.00	4511.00	7439.00	3711.00	6968.00	2349.00	12200.00	9160.00	15740.00
17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-(hydrogensuccinate) Esi-10.100003	27984.00	32409.00	40924.00	28329.00	28966.00	29127.00	55638.00	24325.00	29814.00	31481.00	26736.00	24788.00	33872.00	31204.00	31243.00	37434.00	40198.00	60619.00	32916.00	21195.00	35609.00	25871.00	40473.00	29410.00	20782.00	36055.00	29983.00	30259.00	43213.00	39185.00
C6 H14 O6	75100.00	87439.00	137016.00	1.00	26384.00	1.00	1.00	1.00	1.00	86948.00	1.00	19965.00	1.00	1.00	23601.00	51582.00	25190.00	1.00	60043.00	1.00	1.00	80429.00	1.00	1.00	61129.00	59453.00	1.00	39869.00	61009.00	80181.00
C28 H41 N14 O15	30891.00	55135.00	49404.00	16505.00	31457.00	33039.00	33716.00	19271.00	50891.00	51063.00	10485.00	49063.00	21650.00	21041.00	14711.00	42582.00	35070.00	32259.00	14709.00	38001.00	38559.00	37137.00	43249.00	40054.00	28283.00	40075.00	12149.00	45116.00	36691.00	44432.00
C9 H4 N2 O3 S	36311.00	37872.00	35737.00	35561.00	33137.00	32912.00	30119.00	30432.00	32479.00	30619.00	39225.00	37823.00	30523.00	34778.00	29506.00	29837.00	29101.00	30356.00	34029.00	32733.00	33736.00	32515.00	32370.00	32512.00	31496.00	35472.00	31652.00	30021.00	37063.00	28425.00
C9 H2 N2 O5 S Esi-1.1979998	30152.00	35123.00	30999.00	34811.00	25680.00	9182.00	12972.00	12451.00	40459.00	36395.00	30724.00	34793.00	37684.00	27844.00	1.00	30488.00	5511.00	39113.00	16158.00	31140.00	10383.00	12301.00	19246.00	28976.00	35505.00	7012.00	38118.00	12127.00	35067.00	28441.00
C15 H38 N5 O S2	11591.00	41073.00	14030.00	11591.00	10335.00	9679.00	8656.00	7984.00	11571.00	16080.00	10628.00	12108.00	1.00	7232.00	1.00	8442.00	14226.00	10935.00	1.00	9571.00	11699.00	11013.00	8516.00	8565.00	8575.00	16856.00	12620.00	17627.00	11978.00	25836.00
C3 H4 N2 S3	1.00	1.00	1.00	1.00	11491.00	17176.00	12859.00	15093.00	1.00	1.00	1.00	1.00	1.00	1.00	18827.00	1.00	16079.00	1.00	7715.00	1.00	13549.00	26268.00	8977.00	1.00	1.00	18352.00	1.00	13943.00	1.00	1.00
C11 H2 O7 S2	44056.00	42510.00	48515.00	45096.00	46394.00	44045.00	46494.00	48809.00	47573.00	45574.00	49188.00	46597.00	48238.00	48346.00	51630.00	47904.00	49526.00	54419.00	51342.00	45711.00	47061.00	45322.00	49450.00	45237.00	41399.00	48603.00	51497.00	46889.00	46410.00	46601.00
C35 H60 N9 O3	2570.00	52553.00	21991.00	16405.00	8857.00	14774.00	9641.00	4470.00	19265.00	15725.00	1.00	20328.00	9141.00	9532.00	2649.00	10231.00	1.00	4160.00	4509.00	18046.00	9192.00	13944.00	8949.00	9369.00	2689.00	19856.00	1.00	26084.00	12868.00	27561.00
C8 H15 N5 O6	1.00	1.00	1.00	1.00	8411.00	16394.00	12670.00	13613.00	1.00	1.00	1.00	1.00	1.00	1.00	18966.00	1.00	16034.00	1.00	7440.00	1.00	15058.00	10659.00	8038.00	1.00	1.00	24021.00	1.00	16918.00	1.00	1.00
C7 H10 N3 O7	9559.00	7012.00	33377.00	1.00	1.00	1.00	1.00	9966.00	49329.00	22048.00	1.00	6944.00	1.00	1.00	1.00	15909.00	1.00	50942.00	12900.00	50528.00	1.00	1.00	15839.00	8659.00	1.00	1.00	1.00	34022.00	6779.00	23908.00
3E,13E-Octadecadienyl acetate	3807.00	53587.00	23356.00	23242.00	17582.00	10860.00	9070.00	4519.00	17169.00	18861.00	1.00	16890.00	4759.00	8166.00	2426.00	9559.00	1.00	4907.00	2692.00	10235.00	11627.00	13077.00	9457.00	8009.00	2325.00	20606.00	1.00	21739.00	11802.00	32411.00
4-Heptyloxyphenol	49011.00	50608.00	49525.00	45213.00	47497.00	50653.00	50063.00	49525.00	51117.00	51096.00	51566.00	49809.00	50890.00	51402.00	54926.00	53188.00	54255.00	53384.00	51775.00	54272.00	58556.00	58993.00	57279.00	59048.00	51108.00	56818.00	53571.00	54809.00	55193.00	55338.00
C54 H72 N14 Esi-16.070992	83851.00	213091.00	94365.00	129842.00	81201.00	49749.00	96291.00	59038.00	120391.00	158134.00	15708.00	115915.00	21757.00	40793.00	53811.00	142945.00	120563.00	68840.00	26502.00	85605.00	192084.00	94111.00	39034.00	108153.00	63914.00	176864.00	35061.00	146630.00	120663.00	142621.00
PE(18:2(9Z,12Z)/0:0) Esi-10.862	1.00	41736.00	18595.00	1.00	1.00	1.00	8410.00	10415.00	13804.00	29572.00	1.00	11322.00	1.00	1.00	1.00	31339.00	20896.00	7514.00	1.00	16720.00	10972.00	13474.00	8482.00	14371.00	7798.00	12788.00	1.00	11871.00	14036.00	21054.00
C13 H18 N6 O6 S	1.00	1.00	1.00	1.00	12088.00	20641.00	9259.00	2422.00	1.00	1.00	1.00	1.00	1.00	1.00	8192.00	1.00	1.00	1.00	7868.00	1.00	4663.00	19769.00	1.00	1.00	1.00	13467.00	1.00	12950.00	1.00	1.00
220.0762@0.95899975	7211.00	22494.00	23660.00	23977.00	26854.00	28549.00	19523.00	11734.00	18561.00	20013.00	12049.00	25072.00	31120.00	17877.00	17388.00	16836.00	23761.00	22972.00	48615.00	38312.00	16998.00	13430.00	19051.00	29624.00	18277.00	16859.00	17163.00	28549.00	27196.00	22747.00
2-Benzothiazolesulfonamide	20756.00	21860.00	20407.00	15630.00	15035.00	13678.00	15854.00	14657.00	20366.00	20316.00	19651.00	14016.00	17201.00	15524.00	14595.00	19715.00	18511.00	19741.00	18741.00	18207.00	15801.00	17665.00	18536.00	23459.00	23878.00	25188.00	23671.00	23295.00	23557.00	23855.00
C5 H6 Cl2 N O5 S4	37349.00	35697.00	37062.00	37961.00	40153.00	36478.00	37549.00	40060.00	37180.00	42647.00	37769.00	39674.00	38485.00	42442.00	42606.00	41239.00	40158.00	41704.00	42688.00	39392.00	38213.00	37124.00	37872.00	38572.00	35049.00	39106.00	38926.00	42599.00	38797.00	41127.00
C14 H25 N7 O3	51337.00	178197.00	90909.00	80254.00	65900.00	69084.00	62818.00	55917.00	85193.00	75729.00	33100.00	91274.00	69046.00	61751.00	44177.00	66487.00	42841.00	50680.00	51730.00	82085.00	67210.00	80030.00	60743.00	65082.00	44839.00	85794.00	35146.00	91299.00	70966.00	113001.00
C15 H2 O17	38932.00	40011.00	38124.00	40702.00	41699.00	39802.00	40134.00	40932.00	40500.00	39515.00	44645.00	38896.00	38820.00	41047.00	44544.00	42781.00	42324.00	46217.00	40874.00	36825.00	42269.00	41278.00	39986.00	41408.00	32279.00	40957.00	43416.00	42695.00	40365.00	36352.00
C20 H38 N2 O24	10403.00	45678.00	22405.00	21717.00	16460.00	20351.00	17649.00	10309.00	24047.00	21101.00	1.00	25884.00	15978.00	17613.00	9031.00	17744.00	9990.00	12692.00	13303.00	24339.00	18523.00	21179.00	14524.00	15972.00	10241.00	26103.00	1.00	31254.00	18907.00	30956.00
207.9808@0.941	48048.00	41689.00	54305.00	43332.00	54116.00	47564.00	43296.00	55571.00	40608.00	42876.00	40895.00	47236.00	55296.00	48484.00	43148.00	49030.00	32941.00	42419.00	60315.00	49905.00	49384.00	43826.00	49083.00	47248.00	35549.00	40830.00	45900.00	52195.00	44755.00	56690.00
MID42323:1?,25-dihydroxy-26,27-dimethyl-20,21,22,22,23,23-hexadehydrovitamin D3 / 1?,25-dihydroxy-26	14820.00	45655.00	25820.00	18433.00	13050.00	13493.00	10704.00	8703.00	21287.00	31271.00	8368.00	18827.00	7321.00	10129.00	6571.00	17106.00	13775.00	8112.00	1.00	11344.00	18919.00	17546.00	18542.00	11868.00	10231.00	26065.00	7516.00	24234.00	26164.00	31689.00
C3 H4 N2 S2 Esi-4.8240004	1.00	1.00	1.00	1.00	342757.00	311257.00	170063.00	320891.00	1.00	1.00	1.00	1.00	1.00	1.00	309930.00	1.00	283129.00	1.00	337567.00	1.00	113775.00	329693.00	71350.00	1.00	1.00	344101.00	1.00	286290.00	1.00	1.00
C29 H51 O3 Esi-15.829995	137240.00	134663.00	100189.00	126946.00	88440.00	123639.00	123197.00	90348.00	131095.00	193025.00	108004.00	118447.00	90894.00	144420.00	96058.00	109287.00	104121.00	109272.00	87465.00	164619.00	136524.00	140457.00	211463.00	120618.00	87811.00	128575.00	55814.00	129016.00	125349.00	106986.00
C3 H2 N3 O3	47170.00	44079.00	49808.00	47279.00	46113.00	49696.00	47756.00	54993.00	66192.00	49884.00	44399.00	52174.00	40690.00	43569.00	44344.00	37718.00	51535.00	41646.00	43481.00	42434.00	72306.00	43931.00	54511.00	40903.00	63026.00	48858.00	38826.00	50048.00	54924.00	41791.00
C31 H51 N7 O20	14883.00	60599.00	42408.00	1.00	15665.00	18177.00	28174.00	10197.00	46394.00	45538.00	1.00	36824.00	9924.00	11417.00	6707.00	35747.00	24860.00	23407.00	6738.00	22031.00	23950.00	21500.00	29613.00	26682.00	19485.00	31320.00	1.00	35692.00	23719.00	31340.00
C6 H7 Cl3 N2 O S4	37004.00	35352.00	38756.00	37704.00	40747.00	37707.00	39725.00	42639.00	40681.00	39616.00	37105.00	39881.00	38811.00	39698.00	43091.00	40322.00	39828.00	42193.00	41125.00	41125.00	39197.00	38815.00	40875.00	40144.00	35131.00	41866.00	43115.00	41936.00	40704.00	39870.00
298.1607@10.052999	57355.00	52139.00	39764.00	43738.00	36882.00	39118.00	49658.00	56182.00	57408.00	49732.00	36320.00	47244.00	40839.00	36940.00	51531.00	47675.00	52196.00	47783.00	44969.00	35592.00	54507.00	52461.00	56785.00	52630.00	47027.00	48968.00	34974.00	55575.00	30172.00	31206.00
Enalkiren	10893.00	47830.00	24823.00	22781.00	14492.00	11845.00	15762.00	9574.00	22702.00	31909.00	1.00	18948.00	1.00	7767.00	8088.00	25494.00	14810.00	7729.00	1.00	10987.00	29817.00	14112.00	1.00	16229.00	6900.00	36171.00	1.00	27091.00	21174.00	40753.00
C15 H22 N18 O2	10066.00	46371.00	27155.00	21517.00	17426.00	18316.00	16196.00	11381.00	24434.00	20145.00	8377.00	22338.00	14884.00	16207.00	10324.00	15077.00	11771.00	11969.00	13886.00	19497.00	15323.00	21089.00	19641.00	15475.00	10498.00	24461.00	6815.00	27834.00	19735.00	30191.00
C10 H4 N2 O S2	42744.00	35487.00	40772.00	40008.00	39597.00	36952.00	38308.00	35411.00	37665.00	27426.00	37434.00	36452.00	35396.00	37879.00	34900.00	36098.00	33769.00	33084.00	34869.00	31555.00	36801.00	38154.00	37863.00	37969.00	33829.00	38974.00	36306.00	35448.00	34834.00	29909.00
Gemfibrozil, metabolite II	15247.00	43680.00	22010.00	15321.00	13414.00	15197.00	10772.00	10735.00	13164.00	12291.00	19012.00	13092.00	10845.00	9902.00	9269.00	10070.00	7912.00	9662.00	11331.00	10595.00	10447.00	11782.00	18812.00	12900.00	10171.00	17381.00	11413.00	11635.00	10109.00	12351.00
4-Sulfobenzyl alcohol Esi-0.9150004	1.00	8266.00	9009.00	1.00	27120.00	21161.00	14000.00	33889.00	20066.00	15456.00	29585.00	8810.00	9035.00	21525.00	40456.00	23033.00	25768.00	24937.00	48635.00	25010.00	1.00	12448.00	26470.00	9529.00	16661.00	11277.00	22550.00	11961.00	8868.00	20528.00
C16 H26 O3 S Esi-13.471	14653.00	146570.00	37187.00	30649.00	23254.00	25426.00	23162.00	14636.00	35508.00	28195.00	14294.00	39697.00	20023.00	20293.00	19272.00	19982.00	10406.00	17199.00	15690.00	33847.00	23395.00	26324.00	19740.00	23266.00	20098.00	38459.00	11269.00	52495.00	27577.00	59347.00
10-[5]-ladderane-decanoic acid Esi-12.97	17010.00	40167.00	25849.00	23275.00	9109.00	5916.00	11541.00	13488.00	19294.00	13946.00	1.00	30708.00	6742.00	7992.00	5997.00	9290.00	6250.00	9874.00	8161.00	9345.00	13521.00	6460.00	7548.00	10925.00	10139.00	19126.00	1.00	21376.00	10304.00	37644.00
C32 H60 O6	3107.00	45176.00	30756.00	6732.00	5810.00	6390.00	9679.00	3172.00	21499.00	1.00	1.00	17519.00	5707.00	15150.00	3747.00	16783.00	1.00	17782.00	1.00	5496.00	14218.00	11824.00	21006.00	10399.00	11752.00	31957.00	5668.00	15061.00	12340.00	44151.00
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	15096.00	25222.00	30839.00	1.00	18845.00	17995.00	13468.00	1.00	22715.00	29466.00	1.00	47444.00	12158.00	12483.00	10732.00	18442.00	8998.00	14437.00	15725.00	15164.00	21278.00	19153.00	31060.00	18271.00	15145.00	17289.00	12589.00	29855.00	22664.00	26055.00
C35 H58 N26 O	5958.00	49142.00	17212.00	13114.00	6701.00	7729.00	7782.00	5147.00	12808.00	26303.00	1.00	11809.00	3708.00	8495.00	5839.00	13607.00	8737.00	4734.00	2766.00	4535.00	12755.00	10647.00	1.00	11412.00	3480.00	14298.00	3021.00	14738.00	13154.00	23504.00
Dinoterb	13585.00	20976.00	21055.00	12320.00	11302.00	17914.00	11280.00	1.00	16786.00	11220.00	11632.00	27259.00	17795.00	8367.00	1.00	1.00	1.00	44548.00	21960.00	8698.00	1.00	1.00	10093.00	14318.00	11351.00	18301.00	19232.00	12479.00	1.00	10120.00
C21 H31 N2 O4	37816.00	42171.00	38602.00	37601.00	36010.00	37387.00	36368.00	33165.00	37288.00	39204.00	39142.00	37525.00	43219.00	41002.00	37649.00	38078.00	38190.00	37058.00	35634.00	40624.00	40735.00	37976.00	39895.00	38807.00	35677.00	35804.00	38725.00	36275.00	37361.00	40686.00
Actinonin	35429.00	41700.00	35144.00	37943.00	33424.00	34229.00	36516.00	35673.00	40418.00	36261.00	38393.00	36737.00	39656.00	36755.00	37583.00	36132.00	37610.00	37915.00	35528.00	37924.00	35708.00	36351.00	36823.00	40880.00	34475.00	37645.00	38041.00	33526.00	36086.00	38261.00
C19 H31 N7 O2	13629.00	34627.00	40058.00	36532.00	31631.00	31830.00	27796.00	18272.00	36117.00	36183.00	8378.00	35003.00	28505.00	30681.00	14921.00	27211.00	13813.00	19488.00	21022.00	32717.00	30239.00	35345.00	37285.00	30001.00	15113.00	35546.00	10105.00	33077.00	35495.00	38583.00
17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-(hydrogensuccinate) Esi-10.516001	19900.00	33524.00	33089.00	26448.00	23978.00	22506.00	31939.00	25965.00	32810.00	38502.00	35207.00	35368.00	27624.00	21775.00	28670.00	33464.00	46781.00	23387.00	24425.00	20955.00	25885.00	22381.00	36421.00	28169.00	18671.00	35609.00	28956.00	20065.00	43080.00	34633.00
9Z,12E,15Z-octadecatrienoic acid Esi-12.625	13025.00	545234.00	128037.00	37617.00	38692.00	56947.00	35128.00	21803.00	54737.00	82438.00	1.00	118966.00	41145.00	26449.00	19796.00	53084.00	24163.00	17061.00	26771.00	61799.00	47402.00	43977.00	29151.00	48146.00	16084.00	80157.00	9490.00	145768.00	58548.00	156963.00
C12 H24 O10	15961.00	35806.00	24319.00	20123.00	34065.00	36074.00	16572.00	1.00	8661.00	14902.00	1.00	1.00	10144.00	40753.00	15148.00	9215.00	1.00	1.00	28037.00	27051.00	1.00	26949.00	6631.00	6559.00	1.00	16000.00	1.00	25530.00	7507.00	9128.00
C6 H9 N4 O3	19551.00	26197.00	37446.00	16892.00	21909.00	23561.00	21141.00	26286.00	31961.00	32822.00	17891.00	38871.00	27876.00	17288.00	28294.00	19930.00	19420.00	34898.00	17436.00	36151.00	22911.00	21479.00	31818.00	22469.00	18576.00	23988.00	23582.00	25428.00	29567.00	43310.00
C32 H64 N16 O4	8588.00	42350.00	18639.00	11421.00	8178.00	6440.00	5728.00	1.00	12296.00	18130.00	1.00	10160.00	1.00	1.00	1.00	9018.00	5851.00	1.00	1.00	6847.00	12143.00	10448.00	11835.00	1.00	7275.00	19125.00	1.00	18413.00	14454.00	24728.00
His Asp	45669.00	17537.00	32366.00	45572.00	25776.00	24640.00	35779.00	36400.00	37455.00	49204.00	64116.00	30533.00	45667.00	38238.00	21324.00	19665.00	23444.00	36244.00	33041.00	21407.00	62015.00	12887.00	22361.00	44772.00	20980.00	21823.00	33081.00	33254.00	63994.00	22771.00
C8 H6 N4 O9 S	38914.00	37812.00	39251.00	37455.00	38161.00	37439.00	36381.00	36475.00	35379.00	37112.00	35620.00	34332.00	35253.00	33271.00	33207.00	31795.00	30599.00	32221.00	33235.00	32612.00	32308.00	32164.00	30186.00	31382.00	26445.00	29562.00	28194.00	30502.00	30396.00	29873.00
PI(18:3(6Z,9Z,12Z)/18:0)	5487.00	40496.00	21277.00	15922.00	8090.00	6763.00	8025.00	4339.00	15401.00	21574.00	1.00	17323.00	3412.00	4561.00	4606.00	17091.00	8539.00	3896.00	2460.00	5509.00	16961.00	9915.00	2046.00	10286.00	3156.00	23123.00	2713.00	22323.00	15177.00	32335.00
C18 H30 O3 S Esi-13.468996	32976.00	321210.00	89145.00	72478.00	57413.00	63172.00	43586.00	35346.00	94797.00	76233.00	28982.00	108125.00	56330.00	48324.00	36371.00	63221.00	29964.00	35067.00	41547.00	79334.00	51268.00	71872.00	48845.00	52275.00	30543.00	96964.00	25926.00	114891.00	65914.00	139260.00
Myristic Acid ethyl ester	22203.00	49176.00	33744.00	29765.00	22668.00	19160.00	23270.00	15249.00	28674.00	32829.00	19462.00	27827.00	31476.00	20322.00	25086.00	24913.00	16245.00	19579.00	17608.00	24863.00	21713.00	29322.00	43524.00	20784.00	22959.00	37150.00	17075.00	35771.00	32139.00	42696.00
C36 H77 N10 O10	26172.00	40690.00	31983.00	27873.00	25750.00	25438.00	22598.00	19045.00	30453.00	32515.00	15617.00	28552.00	16737.00	21263.00	14258.00	25627.00	23094.00	18384.00	10074.00	25183.00	28918.00	28733.00	28883.00	21723.00	24494.00	37225.00	16651.00	33268.00	29936.00	36550.00
Pectolinarigenin 7-rutinoside	7987.00	37852.00	20228.00	18059.00	12857.00	16489.00	14434.00	8457.00	22042.00	19719.00	1.00	22564.00	12598.00	13587.00	7382.00	14664.00	1.00	9621.00	10510.00	18858.00	15163.00	16833.00	12937.00	12704.00	7827.00	23548.00	1.00	27055.00	16486.00	25146.00
17-oxo-20Z-hexacosenoic acid	6973.00	81147.00	49431.00	11837.00	10698.00	5914.00	15279.00	8845.00	28083.00	2385.00	2427.00	16436.00	12818.00	18839.00	6144.00	13710.00	1.00	18992.00	2356.00	4861.00	22198.00	34023.00	27337.00	14760.00	13864.00	32675.00	8560.00	17299.00	17232.00	56639.00
C49 H82 N O S2	45576.00	96262.00	68675.00	72755.00	57278.00	64406.00	50091.00	37250.00	62969.00	64648.00	38829.00	65365.00	44849.00	50968.00	23213.00	36304.00	45957.00	42058.00	47860.00	31293.00	57357.00	67978.00	62954.00	45513.00	38299.00	1.00	28057.00	67587.00	61287.00	52519.00
C30 H47 N13 O20	12913.00	45608.00	33039.00	1.00	13135.00	16401.00	22882.00	9658.00	36892.00	36648.00	1.00	29801.00	7509.00	10939.00	1.00	26877.00	20072.00	19314.00	1.00	18966.00	19957.00	17834.00	23509.00	22744.00	15081.00	26096.00	1.00	26111.00	18562.00	26756.00
Pseudouridine	33787.00	24686.00	34936.00	18604.00	22934.00	21048.00	20906.00	28432.00	32281.00	22068.00	28323.00	29571.00	22158.00	20750.00	25065.00	25378.00	23217.00	35338.00	22050.00	41535.00	17713.00	19133.00	27286.00	34712.00	26370.00	26723.00	19837.00	29738.00	19194.00	31439.00
C3 H6 N3 S	28734.00	30237.00	24579.00	23078.00	26236.00	30058.00	22098.00	20639.00	40023.00	26205.00	23379.00	27523.00	25907.00	29734.00	26760.00	22768.00	23282.00	26203.00	21424.00	39829.00	21404.00	21352.00	30574.00	34422.00	24427.00	23296.00	27741.00	22334.00	25567.00	32332.00
3alpha-Hydroxy-5beta-pregn-16-ene-11,20-dione 3-acetate	2764.00	35694.00	23368.00	13441.00	6795.00	7827.00	6281.00	3515.00	17506.00	10863.00	1.00	24843.00	7696.00	5893.00	3234.00	7385.00	1.00	3157.00	3215.00	10457.00	9568.00	5908.00	8475.00	10043.00	3135.00	19711.00	1.00	23847.00	9061.00	31746.00
C30 H47 N5 O14	7570.00	40185.00	31473.00	1.00	8135.00	10729.00	20473.00	1.00	16833.00	20593.00	1.00	21232.00	8741.00	1.00	1.00	30564.00	18369.00	17223.00	6899.00	19198.00	18088.00	17602.00	10505.00	25005.00	7766.00	12112.00	1.00	22728.00	16255.00	11565.00
C18 H28 N8 O8	7773.00	33643.00	20018.00	14648.00	12085.00	14235.00	12259.00	11020.00	16816.00	17244.00	1.00	17984.00	12862.00	12665.00	9648.00	14917.00	9191.00	8862.00	9729.00	14870.00	13992.00	14533.00	11436.00	13742.00	8254.00	17535.00	1.00	20501.00	15289.00	23372.00
C18 H32 N7 O13	8810.00	39010.00	20307.00	17707.00	14679.00	15608.00	13963.00	9067.00	20289.00	17767.00	1.00	21069.00	12707.00	13658.00	9314.00	13400.00	10225.00	10705.00	10125.00	17726.00	14279.00	15409.00	13823.00	14133.00	8653.00	21136.00	1.00	23762.00	16488.00	25182.00
C49 H82 N O S2 Esi-13.731997	40284.00	49564.00	52771.00	52332.00	25574.00	22877.00	39066.00	34015.00	42148.00	25811.00	34887.00	35330.00	40364.00	36870.00	19995.00	33444.00	33806.00	43406.00	23906.00	31625.00	39239.00	52325.00	99923.00	29374.00	28110.00	40282.00	45048.00	42493.00	38616.00	41885.00
C21 H30 N6	8125.00	34262.00	12528.00	10403.00	7257.00	6319.00	18186.00	16376.00	9560.00	12024.00	14245.00	7543.00	12176.00	17149.00	11735.00	7262.00	20174.00	14145.00	9482.00	20280.00	6892.00	8984.00	8834.00	15702.00	6294.00	13872.00	12781.00	12142.00	10020.00	15241.00
Endothal	9688.00	8781.00	10882.00	13096.00	38873.00	14379.00	16197.00	11559.00	20978.00	11348.00	11093.00	16691.00	11758.00	9762.00	14661.00	1.00	14909.00	17008.00	9280.00	25628.00	13080.00	13888.00	16606.00	9745.00	13715.00	20767.00	11934.00	12518.00	10080.00	21572.00
Prorocentrolide	14301.00	30293.00	17677.00	22485.00	14122.00	10433.00	15365.00	9983.00	22202.00	25662.00	1.00	23399.00	6616.00	8647.00	10540.00	27626.00	16375.00	10441.00	1.00	12944.00	30189.00	15260.00	1.00	15689.00	9591.00	35887.00	8373.00	30447.00	24923.00	34542.00
6Z-hexadecenoic acid Esi-12.890005	10799.00	460456.00	130216.00	67545.00	52300.00	48485.00	28640.00	23960.00	168565.00	52094.00	1.00	211944.00	74917.00	43371.00	11170.00	86625.00	11869.00	27617.00	27265.00	260093.00	32328.00	67494.00	89968.00	116792.00	37340.00	156512.00	8792.00	298174.00	78027.00	285353.00
C6 H Cl3 N O3 S2	14752.00	14558.00	15936.00	14646.00	14973.00	14798.00	16088.00	14818.00	15350.00	15084.00	15939.00	15525.00	15184.00	16136.00	16086.00	16745.00	16884.00	15890.00	16720.00	16266.00	15880.00	15229.00	16202.00	15541.00	13118.00	16507.00	15796.00	17059.00	16010.00	14297.00
7-Methylxanthine	19902.00	19577.00	13746.00	11393.00	1.00	1.00	1.00	10447.00	18104.00	11972.00	11837.00	9655.00	10233.00	1.00	1.00	8796.00	13458.00	18605.00	1.00	9081.00	20114.00	13080.00	15950.00	9969.00	1.00	20889.00	1.00	11529.00	21122.00	26336.00
cis,cis-2,4-Dihydroxy-5-methyl-6-oxo-2,4-hexadienoate Esi-2.2200005	126065.00	284670.00	104287.00	90257.00	250621.00	275106.00	142995.00	17233.00	80646.00	42807.00	24450.00	36782.00	115010.00	314838.00	105581.00	79013.00	1.00	21055.00	264811.00	69525.00	51458.00	232131.00	27485.00	43981.00	20617.00	186940.00	21555.00	174438.00	188934.00	54090.00
3-oxoglycyrrhetinic acid	7283.00	79213.00	18718.00	14220.00	12175.00	7104.00	1.00	1.00	16763.00	18260.00	1.00	16401.00	31015.00	9590.00	1.00	9173.00	9325.00	1.00	1.00	8212.00	8519.00	11409.00	8157.00	13774.00	1.00	19891.00	1.00	23584.00	12018.00	36660.00
C28 H43 N13 O20	23944.00	40699.00	36550.00	13294.00	25460.00	26229.00	29205.00	17084.00	37289.00	38240.00	8804.00	36351.00	18857.00	18441.00	11766.00	32734.00	27463.00	26599.00	10890.00	30415.00	31536.00	28124.00	33189.00	30907.00	21081.00	29833.00	10472.00	36051.00	30201.00	35706.00
C7 H2 N3 O3 S Esi-0.78199977	358293.00	157007.00	364659.00	154779.00	446610.00	509167.00	340091.00	616606.00	273155.00	348790.00	645818.00	257197.00	238724.00	633085.00	778887.00	527138.00	624049.00	328870.00	886400.00	618461.00	181735.00	371028.00	718832.00	326476.00	357774.00	215554.00	456562.00	332097.00	474583.00	557976.00
C8 H9 N4 O2 S	1.00	1.00	1.00	1.00	13427.00	21552.00	21943.00	22103.00	1.00	1.00	1.00	1.00	1.00	1.00	31452.00	1.00	25765.00	1.00	15922.00	1.00	23493.00	18330.00	14820.00	1.00	1.00	30715.00	1.00	25778.00	1.00	1.00
C3 H6 O4 S	16745.00	37969.00	25708.00	19959.00	13117.00	20322.00	16947.00	13178.00	17385.00	29512.00	10562.00	18615.00	18819.00	14558.00	8223.00	15573.00	15711.00	10353.00	8887.00	15026.00	20576.00	20927.00	20440.00	15058.00	14195.00	29525.00	22171.00	31090.00	21546.00	29020.00
N-Hydroxy-L-phenylalanine Esi-1.6520003	11562.00	12091.00	15471.00	12242.00	13106.00	14311.00	13191.00	21007.00	16558.00	25865.00	9157.00	19376.00	20634.00	11269.00	17246.00	10078.00	15997.00	16764.00	13556.00	22468.00	9043.00	11609.00	23671.00	15373.00	11412.00	13059.00	24066.00	15920.00	11510.00	33774.00
Monepalin B	9492.00	41658.00	22544.00	20316.00	17464.00	19882.00	16635.00	11275.00	24952.00	21380.00	1.00	26936.00	16190.00	17476.00	9447.00	17915.00	9975.00	12455.00	11940.00	24764.00	16414.00	22642.00	13973.00	16439.00	10543.00	25057.00	6251.00	30998.00	19872.00	31327.00
256.1313@7.1840014	23646.00	25251.00	24324.00	23012.00	24045.00	24294.00	24828.00	24877.00	25242.00	25309.00	26452.00	24517.00	35165.00	25309.00	24796.00	26683.00	22349.00	24665.00	26315.00	27094.00	25496.00	25267.00	24872.00	25231.00	23875.00	23395.00	25697.00	29279.00	24649.00	27552.00
2,3-Dihydroxy-6,7-Dichloroquinoxaline	25422.00	16102.00	22348.00	18384.00	21252.00	25241.00	12192.00	24874.00	10298.00	22546.00	30935.00	22839.00	18738.00	30406.00	31888.00	14177.00	24339.00	19530.00	35391.00	33380.00	19933.00	10412.00	33524.00	9594.00	11442.00	22846.00	25975.00	21422.00	28240.00	34908.00
(R)-(+)-2-Pyrrolidone-5-carboxylic acid	16962.00	17020.00	36677.00	13047.00	31511.00	21294.00	17518.00	19489.00	34934.00	25045.00	18845.00	12436.00	22035.00	17444.00	15535.00	16173.00	13589.00	31121.00	20983.00	21231.00	14559.00	23093.00	21517.00	16718.00	17177.00	18333.00	24566.00	30930.00	18422.00	17553.00
C16 H26 O3 S Esi-9.902005	73695.00	79982.00	81387.00	81118.00	81712.00	81402.00	82707.00	79698.00	79597.00	80374.00	85013.00	74588.00	93554.00	80579.00	76477.00	87045.00	73028.00	78260.00	88144.00	81226.00	80191.00	54825.00	81401.00	75187.00	70220.00	91457.00	73947.00	79440.00	60754.00	75270.00
C16 H2 N O15 S2	31661.00	30656.00	31136.00	31007.00	32399.00	32984.00	32020.00	31781.00	32578.00	34421.00	32655.00	29686.00	33380.00	33157.00	36853.00	31636.00	34118.00	36273.00	35155.00	28625.00	31890.00	31369.00	32294.00	30923.00	27649.00	30533.00	35023.00	32582.00	30200.00	30818.00
D-Serine	22990.00	21194.00	38406.00	24534.00	44856.00	28466.00	29689.00	26212.00	27720.00	44904.00	16243.00	17561.00	35569.00	26209.00	19411.00	20156.00	26394.00	32645.00	30900.00	18697.00	32086.00	32001.00	30381.00	21530.00	17559.00	24353.00	32890.00	35419.00	34453.00	27358.00
243.0597@0.8770002	26348.00	16175.00	23259.00	14227.00	15475.00	19317.00	27454.00	24811.00	27818.00	33348.00	31588.00	16221.00	18488.00	21374.00	29491.00	26789.00	19433.00	18948.00	27405.00	32510.00	15838.00	15907.00	16413.00	23080.00	18536.00	20528.00	16186.00	21816.00	20804.00	33139.00
Squarrosin	11474.00	7016.00	1.00	1.00	14145.00	13032.00	1.00	13500.00	1.00	17517.00	21423.00	13812.00	21000.00	15804.00	11229.00	18263.00	22425.00	1.00	21387.00	32322.00	1.00	30257.00	11205.00	6467.00	1.00	1.00	8452.00	7925.00	28386.00	1.00
6-hydroxy caproic acid Esi-3.9010007	71344.00	77251.00	80204.00	1.00	65136.00	1.00	81915.00	77009.00	1.00	1.00	83220.00	82890.00	1.00	89981.00	72346.00	1.00	1.00	82173.00	62275.00	68200.00	71680.00	61428.00	82701.00	81654.00	56581.00	77488.00	80984.00	85282.00	63546.00	74848.00
C5 H4 N2	15283.00	20233.00	21190.00	16262.00	23477.00	14068.00	15609.00	16199.00	28962.00	35434.00	15545.00	16000.00	18150.00	14253.00	11744.00	11389.00	15535.00	29040.00	17857.00	17983.00	19774.00	11826.00	17800.00	19397.00	18459.00	16710.00	19252.00	27829.00	16949.00	15110.00
C17 H41 N16 O6 Esi-11.282998	1.00	39343.00	11635.00	1.00	1.00	1.00	8850.00	1.00	10348.00	21255.00	1.00	15501.00	1.00	1.00	1.00	14276.00	30860.00	1.00	1.00	18282.00	1.00	1.00	1.00	11961.00	1.00	1.00	1.00	9984.00	1.00	1.00
(2'S)-Deoxymyxol 2'-?-L-fucoside	30215.00	32624.00	32100.00	33116.00	30421.00	32236.00	31427.00	31835.00	33123.00	30986.00	33040.00	32209.00	30261.00	19386.00	34104.00	35033.00	33046.00	32391.00	23825.00	34055.00	33339.00	35699.00	33554.00	35748.00	33187.00	35334.00	35933.00	22193.00	34230.00	33972.00
C36 H62 N13 O3	28382.00	29721.00	30454.00	28509.00	29458.00	29592.00	30498.00	29111.00	31776.00	27704.00	29107.00	30120.00	28312.00	19535.00	30521.00	30211.00	32152.00	32171.00	21950.00	31178.00	33915.00	33578.00	32695.00	31885.00	32342.00	34013.00	33835.00	20426.00	32847.00	33349.00
Sutchuenoside A	6358.00	31701.00	17523.00	13501.00	9811.00	13738.00	10358.00	8400.00	14898.00	15028.00	1.00	16210.00	10471.00	9059.00	7603.00	12048.00	6863.00	7015.00	8745.00	13658.00	11083.00	13081.00	7151.00	11329.00	1.00	16745.00	1.00	19375.00	12656.00	20437.00
298.1604@13.730997	18500.00	33591.00	22284.00	18669.00	17809.00	16277.00	14708.00	12836.00	19874.00	24881.00	8907.00	15459.00	11310.00	14051.00	10881.00	22061.00	13580.00	12104.00	5991.00	13778.00	22264.00	16806.00	19656.00	11530.00	13410.00	22970.00	14754.00	25191.00	21230.00	26768.00
PE(17:0/0:0)	1.00	21750.00	27753.00	1.00	1.00	1.00	11858.00	16340.00	34201.00	14445.00	1.00	30492.00	1.00	1.00	1.00	16695.00	34245.00	18936.00	1.00	16417.00	11879.00	1.00	19699.00	19292.00	14613.00	12843.00	1.00	13162.00	1.00	27536.00
Sulfamethoxazole	14363.00	21747.00	30556.00	13503.00	15333.00	9446.00	10400.00	11766.00	26240.00	25282.00	14098.00	33023.00	24656.00	10331.00	8458.00	14294.00	7317.00	29058.00	9435.00	25814.00	10772.00	8175.00	18518.00	17224.00	15949.00	7521.00	20275.00	10313.00	21137.00	32184.00
(±)-CP 47,497-C8-homolog	4760.00	25516.00	19298.00	23929.00	9518.00	9112.00	9530.00	3893.00	16626.00	14415.00	1.00	20015.00	5768.00	6693.00	3369.00	7096.00	2077.00	5126.00	5579.00	9704.00	14403.00	8875.00	11210.00	9839.00	4305.00	14353.00	1.00	13828.00	10968.00	30564.00
Enalkiren Esi-12.795999	11112.00	35126.00	21084.00	17772.00	13934.00	10532.00	16801.00	9754.00	18701.00	22401.00	1.00	16729.00	8836.00	9113.00	15575.00	33665.00	19652.00	14954.00	10104.00	9210.00	23784.00	12441.00	7344.00	17191.00	10999.00	29807.00	19620.00	26528.00	32576.00	29294.00
3-(Pyrazol-1-yl)-L-alanine Esi-0.84700006	56398.00	69864.00	88115.00	65644.00	57562.00	62275.00	66828.00	93849.00	100371.00	84079.00	60535.00	62599.00	89214.00	36598.00	93779.00	56365.00	82785.00	104930.00	67115.00	89018.00	68907.00	60170.00	86905.00	65840.00	54939.00	72137.00	58465.00	71380.00	34913.00	61678.00
3-(3,4-Dihydroxyphenyl)lactate	16610.00	14596.00	25305.00	15594.00	16213.00	21468.00	17231.00	22819.00	13096.00	19691.00	10396.00	19390.00	9846.00	17083.00	17601.00	11580.00	18053.00	22643.00	1.00	32319.00	17944.00	19772.00	26576.00	14993.00	16838.00	22252.00	17761.00	16363.00	17912.00	25368.00
C49 H56 N3 O2	2670.00	31961.00	17147.00	11052.00	7412.00	11372.00	7606.00	4519.00	12958.00	16407.00	1.00	13785.00	7528.00	6813.00	3937.00	10203.00	3585.00	3324.00	5127.00	11400.00	9144.00	11760.00	7530.00	9253.00	2299.00	15436.00	1.00	17844.00	12032.00	18292.00
3-(3,4-Dihydroxyphenyl)lactate Esi-4.115999	11572.00	19878.00	20062.00	12666.00	11675.00	16878.00	18753.00	19130.00	14752.00	11824.00	8992.00	19358.00	8040.00	14014.00	18672.00	10820.00	15067.00	18653.00	1.00	32809.00	16224.00	15091.00	20907.00	14898.00	9894.00	23383.00	14890.00	15376.00	12540.00	20150.00
Glutamyl-glutamic acid	1.00	14313.00	1.00	1.00	11714.00	14679.00	1.00	14041.00	1.00	21241.00	7732.00	8098.00	9383.00	1.00	9227.00	1.00	30003.00	1.00	14423.00	8926.00	8680.00	26949.00	8940.00	1.00	1.00	10292.00	10074.00	7144.00	15790.00	1.00
C19 H29 N7 O2	1.00	30290.00	26987.00	17010.00	12095.00	16202.00	11204.00	8238.00	17680.00	22460.00	1.00	20944.00	11784.00	11323.00	7581.00	12637.00	6856.00	7964.00	8644.00	14728.00	13961.00	15806.00	9897.00	12701.00	1.00	23160.00	1.00	24314.00	17592.00	28363.00
L-Leucine Esi-1.8339998	31830.00	49640.00	55283.00	25275.00	49245.00	44195.00	41738.00	56040.00	46021.00	43931.00	27484.00	52652.00	41445.00	33352.00	56064.00	30224.00	34170.00	39129.00	24435.00	60101.00	34227.00	45079.00	43086.00	40003.00	27160.00	55761.00	31540.00	50292.00	38025.00	63754.00
Teniposide	22387.00	18482.00	25920.00	18672.00	17449.00	16925.00	16995.00	14980.00	16644.00	21031.00	33166.00	18505.00	26120.00	27520.00	17669.00	19484.00	15850.00	14106.00	19840.00	14984.00	19649.00	13438.00	16564.00	20342.00	15204.00	16334.00	16316.00	13261.00	21062.00	20348.00
C14 H2 N3 O4 S	10551.00	32443.00	11415.00	17262.00	18929.00	12436.00	11010.00	7739.00	8993.00	8488.00	6344.00	11586.00	10457.00	7734.00	6560.00	8737.00	8369.00	8382.00	6911.00	9042.00	11443.00	9687.00	9203.00	8845.00	9626.00	11109.00	8846.00	11308.00	8538.00	6470.00
C15 H44 N17 S	16967.00	26397.00	22491.00	23281.00	22274.00	28010.00	21863.00	19972.00	18814.00	20497.00	16788.00	20092.00	21379.00	14799.00	12085.00	19748.00	13962.00	18124.00	18147.00	19184.00	22148.00	20726.00	44434.00	15495.00	19302.00	20111.00	19076.00	20860.00	17930.00	19911.00
C6 H4 N O4 S5	15657.00	15573.00	15960.00	14633.00	15587.00	14142.00	13167.00	16179.00	15685.00	15411.00	16666.00	16112.00	15796.00	16312.00	16541.00	15442.00	16721.00	15988.00	15301.00	16053.00	14653.00	16001.00	16278.00	14524.00	12424.00	15422.00	15247.00	15148.00	14259.00	15826.00
C5 H9 N5 O3 Esi-1.163	1.00	1.00	1.00	1.00	62470.00	122819.00	102909.00	118338.00	1.00	1.00	1.00	1.00	1.00	1.00	168756.00	1.00	131033.00	1.00	79716.00	1.00	123711.00	92951.00	81914.00	1.00	1.00	174038.00	1.00	131634.00	1.00	1.00
C7 H8 N O7 S2	15246.00	15219.00	14536.00	12122.00	10303.00	10913.00	11951.00	10186.00	16186.00	12505.00	14239.00	9533.00	11066.00	10266.00	10824.00	12247.00	12662.00	13186.00	10726.00	12204.00	12696.00	12038.00	11997.00	16286.00	16152.00	15933.00	15940.00	17095.00	15956.00	15896.00
5-Oxoavermectin ''2a'' aglycone	9506.00	30795.00	18827.00	10764.00	9306.00	8427.00	1.00	1.00	20710.00	18928.00	1.00	12260.00	8041.00	6898.00	1.00	14624.00	7667.00	1.00	1.00	15603.00	10369.00	13640.00	11493.00	10742.00	1.00	16063.00	1.00	13975.00	9017.00	25940.00
Nonate	15441.00	15633.00	14902.00	13244.00	15057.00	14607.00	13652.00	14520.00	15510.00	17392.00	15239.00	15466.00	14826.00	15948.00	14954.00	14700.00	14743.00	14967.00	15214.00	17341.00	15153.00	16145.00	15193.00	17837.00	16440.00	16239.00	15012.00	16027.00	14827.00	18657.00
2-amino-4-hydroxy-3-methylpentanoic acid	11855.00	15587.00	19758.00	12595.00	13688.00	15180.00	13900.00	12942.00	15999.00	10328.00	12716.00	18262.00	15994.00	10762.00	13801.00	16487.00	10488.00	30234.00	6231.00	16725.00	12416.00	12098.00	19322.00	15481.00	6250.00	9408.00	19194.00	13490.00	12390.00	19052.00
C7 H11 N3 O6	15885.00	358311.00	28547.00	21040.00	20905.00	23484.00	20341.00	24149.00	589221.00	19706.00	17225.00	27954.00	22282.00	18536.00	31428.00	18822.00	22288.00	23401.00	19572.00	632936.00	16720.00	20111.00	27542.00	31515.00	17907.00	24809.00	23866.00	24997.00	17651.00	31967.00
C31 H45 N16 O21	10140.00	33698.00	26064.00	1.00	11649.00	12574.00	18306.00	7904.00	30107.00	28069.00	1.00	24825.00	6347.00	7997.00	1.00	21882.00	17909.00	14754.00	1.00	15159.00	17672.00	15569.00	20355.00	18722.00	12487.00	23507.00	1.00	23154.00	16204.00	22095.00
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) Esi-10.8150015	13538.00	21153.00	47889.00	1.00	7726.00	12503.00	8577.00	1.00	22134.00	28690.00	1.00	14956.00	9366.00	12146.00	1.00	16490.00	1.00	10369.00	1.00	20151.00	17890.00	14580.00	15494.00	12883.00	15145.00	18640.00	12589.00	13842.00	21558.00	20237.00
(6S)-dehydrovomifoliol	22037.00	21925.00	21949.00	20921.00	21888.00	21037.00	20909.00	22020.00	22241.00	21434.00	22074.00	20800.00	23359.00	23223.00	22042.00	21790.00	22070.00	21244.00	23977.00	23257.00	23748.00	22632.00	22744.00	22055.00	19021.00	23065.00	22186.00	21286.00	20977.00	21784.00
C17 H24 N14 O8	7742.00	30721.00	18295.00	13009.00	11262.00	13450.00	11053.00	8503.00	14943.00	15355.00	1.00	15692.00	10618.00	11191.00	7875.00	12074.00	8076.00	8726.00	10611.00	14833.00	11840.00	13218.00	9686.00	11953.00	7090.00	16612.00	6235.00	19326.00	14272.00	18513.00
154.9993@5.084	25163.00	26396.00	26992.00	25779.00	23712.00	23502.00	25074.00	24588.00	25807.00	22970.00	25327.00	23879.00	22994.00	22641.00	22285.00	22479.00	21971.00	22426.00	21721.00	21864.00	19330.00	19410.00	20249.00	19243.00	18387.00	19107.00	20154.00	20403.00	19642.00	18077.00
Sulfamethazine	9955.00	12029.00	15737.00	15154.00	10941.00	7982.00	11610.00	15114.00	25195.00	14778.00	18918.00	17613.00	19692.00	8114.00	1.00	1.00	12671.00	25165.00	13111.00	11198.00	20926.00	1.00	15289.00	18728.00	18313.00	1.00	20424.00	17120.00	16826.00	10709.00
C29 H51 N5 O30	19372.00	29157.00	28422.00	12133.00	22492.00	22908.00	23661.00	13427.00	30794.00	30768.00	7674.00	28857.00	15798.00	15694.00	10953.00	26499.00	24503.00	22081.00	9848.00	26438.00	26686.00	24773.00	27432.00	25634.00	18066.00	26132.00	9098.00	28274.00	24322.00	29234.00
D-Sorbitol	75682.00	87439.00	137016.00	12715.00	28611.00	13958.00	11716.00	9434.00	17145.00	87334.00	23090.00	23310.00	12238.00	20225.00	26701.00	53741.00	26228.00	14919.00	60043.00	13502.00	21161.00	80106.00	13395.00	11425.00	60764.00	59699.00	1.00	40766.00	62036.00	80475.00
Lenthionine	1.00	1.00	21311.00	1.00	7530.00	7498.00	10427.00	1.00	11858.00	1.00	1.00	11337.00	13613.00	19717.00	14987.00	1.00	1.00	22235.00	18702.00	1.00	8642.00	13573.00	1.00	28614.00	7698.00	8532.00	15280.00	9711.00	8333.00	1.00
C23 H39 N12 O2	26414.00	27030.00	25669.00	25696.00	27367.00	28988.00	26742.00	25499.00	27789.00	28795.00	26279.00	28905.00	28180.00	29080.00	26889.00	26698.00	26653.00	27579.00	25783.00	26548.00	27986.00	27607.00	27343.00	27689.00	25861.00	27512.00	28188.00	26358.00	26124.00	27107.00
C10 H4 N2 O5 S	17598.00	20321.00	18423.00	19058.00	17213.00	17134.00	15942.00	16459.00	14460.00	15908.00	18007.00	18335.00	15728.00	14963.00	14596.00	14269.00	13718.00	14343.00	13916.00	15900.00	15860.00	17496.00	14660.00	16732.00	14346.00	13478.00	14411.00	15911.00	15987.00	14240.00
Arg Met His Esi-13.157003	13143.00	32005.00	113446.00	150505.00	272361.00	8550.00	8061.00	303689.00	7152.00	18157.00	183776.00	54265.00	171283.00	303614.00	204354.00	10678.00	171971.00	244500.00	63090.00	476178.00	370262.00	7240.00	7810.00	11082.00	188519.00	10999.00	131226.00	10927.00	431487.00	11350.00
1,2,3,4,6,7,8-Heptachlorodibenzodioxin	20756.00	23428.00	21730.00	21833.00	24771.00	24081.00	25486.00	24376.00	23745.00	25919.00	23075.00	21997.00	23339.00	23051.00	26474.00	23942.00	25022.00	27153.00	25906.00	23404.00	22324.00	23764.00	25025.00	22892.00	21475.00	24396.00	26541.00	23855.00	22987.00	23959.00
2-(Fluoromethoxy)-1,1,3,3,3-pentafluoro-1-propene (Compound A)	26252.00	18811.00	35051.00	30683.00	33341.00	16353.00	26744.00	20825.00	24183.00	27228.00	19324.00	31197.00	22263.00	15791.00	14964.00	13435.00	18856.00	40412.00	25544.00	26312.00	19932.00	12906.00	22978.00	30169.00	30404.00	20761.00	21579.00	30502.00	21328.00	19159.00
3beta-Acetoxy-4-oplopanone	3650.00	25569.00	14000.00	11707.00	8684.00	8961.00	4081.00	6955.00	10079.00	9023.00	4191.00	14284.00	8651.00	6706.00	4075.00	6267.00	5310.00	5503.00	4935.00	8928.00	5927.00	5397.00	9874.00	6972.00	6105.00	9302.00	4597.00	10690.00	5127.00	20065.00
Thifluzamide	20139.00	19620.00	21517.00	20061.00	21194.00	20383.00	22065.00	23690.00	21730.00	21822.00	20743.00	19426.00	21258.00	22079.00	24548.00	19845.00	21811.00	25211.00	23826.00	18439.00	20031.00	21975.00	23890.00	22283.00	18136.00	19277.00	22996.00	21704.00	21350.00	19125.00
C19 H34 N7 O Esi-13.0	8428.00	36146.00	15626.00	11422.00	8309.00	6462.00	31174.00	25733.00	12365.00	17035.00	19156.00	10489.00	19763.00	6812.00	17359.00	8703.00	7014.00	23458.00	13216.00	7432.00	10227.00	8804.00	9636.00	25845.00	34377.00	16965.00	19954.00	15468.00	14417.00	20045.00
Cardiopetalidine	8997.00	17841.00	18292.00	16982.00	12646.00	13649.00	12028.00	10403.00	15827.00	16665.00	7878.00	18367.00	12571.00	11789.00	7994.00	11629.00	9686.00	9203.00	10221.00	14155.00	12779.00	14311.00	14712.00	13172.00	9020.00	17540.00	1.00	15942.00	15085.00	18008.00
C5 H4 Cl2 O4	19169.00	10075.00	17041.00	10515.00	21217.00	24764.00	18658.00	27610.00	14499.00	15910.00	28444.00	11937.00	14902.00	22105.00	29262.00	24005.00	22708.00	15490.00	28840.00	24921.00	11292.00	16865.00	25712.00	16030.00	14711.00	13351.00	18057.00	16055.00	20115.00	21925.00
C7 H7 N6 O3	14658.00	18688.00	21321.00	14846.00	13936.00	17000.00	20064.00	23125.00	22930.00	19371.00	19741.00	14943.00	21147.00	9854.00	26334.00	14883.00	20341.00	26718.00	16822.00	24282.00	17102.00	15833.00	21611.00	16350.00	14066.00	18011.00	14796.00	16941.00	7399.00	14758.00
3-Epihydroxymugineic acid	25222.00	15109.00	15618.00	15932.00	10521.00	11980.00	12411.00	9528.00	18524.00	12098.00	15379.00	11850.00	11327.00	12500.00	15453.00	12802.00	17583.00	17567.00	14175.00	25808.00	7320.00	11064.00	13412.00	14097.00	18175.00	9864.00	12527.00	12810.00	10093.00	15711.00
C13 H17 O4	21040.00	23154.00	19967.00	23203.00	21598.00	22034.00	22106.00	23289.00	21009.00	20296.00	24464.00	22305.00	22914.00	21873.00	21112.00	22377.00	23430.00	23899.00	22987.00	23255.00	20368.00	24518.00	20302.00	24311.00	19865.00	24188.00	23785.00	23253.00	23528.00	21884.00
L-Arogenate	23559.00	23651.00	21298.00	21013.00	23943.00	24136.00	22762.00	23210.00	23294.00	22927.00	24631.00	22826.00	24271.00	24513.00	23800.00	23080.00	22553.00	20527.00	24220.00	21951.00	26757.00	23342.00	24963.00	23550.00	22186.00	26092.00	24636.00	23734.00	21645.00	22173.00
C7 H6 N6 O3	1.00	1.00	1.00	1.00	1.00	6778.00	1.00	7263.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	9446.00	1.00	1.00	1.00	7395.00	1.00	8866.00	1.00	1.00
188.0494@0.90299994	18656.00	12586.00	11818.00	15620.00	13738.00	14346.00	16698.00	15093.00	11926.00	18878.00	26829.00	12819.00	16930.00	22646.00	18399.00	14227.00	15191.00	12357.00	15878.00	14720.00	20025.00	16833.00	14065.00	17899.00	12721.00	15101.00	15543.00	15473.00	25474.00	15691.00
C11 H Cl3 O7 S2	18209.00	19556.00	18166.00	18570.00	20338.00	18926.00	20582.00	20075.00	19917.00	20247.00	18056.00	17734.00	19907.00	20036.00	22524.00	20515.00	20752.00	21491.00	22028.00	20859.00	19720.00	20704.00	22019.00	20381.00	17250.00	20772.00	18325.00	19682.00	20539.00	20727.00
Nabam Esi-0.7840002	68815.00	66011.00	74960.00	63004.00	76344.00	85877.00	58647.00	87341.00	58463.00	73629.00	111972.00	56611.00	49658.00	95832.00	115916.00	78013.00	84689.00	61027.00	127730.00	101833.00	37630.00	70212.00	119047.00	61494.00	65916.00	55344.00	82905.00	64165.00	90841.00	96979.00
C6 H16 N O7	16546.00	13206.00	20122.00	16044.00	19680.00	22132.00	19098.00	21001.00	18069.00	22001.00	16348.00	22545.00	24834.00	13382.00	22008.00	14359.00	18326.00	21496.00	18854.00	19929.00	18090.00	19156.00	20003.00	17682.00	19081.00	19948.00	24294.00	19523.00	20116.00	24111.00
Ser Trp Met	19355.00	16545.00	18199.00	15484.00	15636.00	13769.00	16274.00	14627.00	16541.00	16226.00	22491.00	16008.00	14696.00	12965.00	18253.00	14176.00	13742.00	12405.00	17005.00	13470.00	16816.00	12780.00	15021.00	14793.00	10486.00	15277.00	14791.00	12273.00	15647.00	14352.00
C26 H37 N11 O S	6397.00	22585.00	17030.00	14947.00	10866.00	6496.00	5407.00	5918.00	12358.00	25351.00	3882.00	12544.00	21916.00	9770.00	3914.00	16744.00	8808.00	5268.00	3045.00	16443.00	8470.00	9866.00	7249.00	12112.00	3856.00	20591.00	1.00	16388.00	16305.00	17860.00
C28 H46 N2 O10 S	3796.00	24086.00	16310.00	11723.00	8478.00	4329.00	3210.00	4051.00	8153.00	25023.00	2507.00	8226.00	19924.00	5352.00	2267.00	11647.00	5792.00	3886.00	1.00	12829.00	6380.00	6492.00	7016.00	9380.00	1.00	15215.00	1.00	12219.00	14196.00	15660.00
C9 H2 N2 O11 S2	19591.00	19270.00	20458.00	20923.00	22969.00	20611.00	21518.00	22622.00	23496.00	23107.00	21648.00	20926.00	20701.00	23277.00	24906.00	20639.00	23648.00	24225.00	23729.00	20739.00	21503.00	20393.00	21700.00	22422.00	18146.00	21962.00	22594.00	23162.00	22187.00	22058.00
Lys Arg Arg	17293.00	24558.00	21123.00	17954.00	18029.00	15623.00	17539.00	14249.00	21406.00	21872.00	13284.00	17943.00	14552.00	17704.00	13969.00	18058.00	17504.00	15770.00	13315.00	17890.00	18577.00	18515.00	20154.00	15752.00	16548.00	20690.00	14419.00	21823.00	19534.00	20975.00
MID42439:1?-hydroxy-23-[3-(1-hydroxy-1-methylethyl)phenyl]-22,22,23,23-tetradehydro-24,25,26,27-tetr	54600.00	41270.00	46605.00	46690.00	50949.00	47647.00	52595.00	54371.00	42453.00	49572.00	44814.00	42123.00	33053.00	38412.00	47370.00	38092.00	64604.00	40843.00	42797.00	66814.00	49751.00	49358.00	43069.00	49736.00	45091.00	46816.00	49256.00	51688.00	48333.00	43121.00
2-amino-4-cyano-butanoic acid	13762.00	18574.00	16809.00	17271.00	15868.00	13212.00	16413.00	18634.00	22122.00	29968.00	1.00	14867.00	15486.00	9069.00	19448.00	20193.00	15487.00	15956.00	29702.00	15094.00	20828.00	24191.00	18961.00	18350.00	15505.00	15841.00	22159.00	18917.00	16720.00	21496.00
Tropolone	11370.00	13051.00	10713.00	10073.00	10847.00	11821.00	11863.00	9605.00	10638.00	22943.00	15925.00	12666.00	11632.00	10302.00	10595.00	10949.00	11149.00	11246.00	12175.00	11735.00	11072.00	13196.00	11217.00	20116.00	10626.00	11001.00	10667.00	12743.00	12670.00	31678.00
Thioglycolate	1.00	86374.00	31444.00	22534.00	9818.00	18684.00	13718.00	1.00	22411.00	23847.00	1.00	17284.00	17629.00	11092.00	1.00	18662.00	1.00	1.00	1.00	21450.00	14824.00	22456.00	11591.00	15487.00	1.00	30456.00	1.00	36578.00	17220.00	46697.00
C15 H22 N15 O3	9708.00	20475.00	15337.00	13582.00	11364.00	12144.00	12123.00	11820.00	13617.00	14903.00	9727.00	16685.00	11083.00	11538.00	9710.00	11275.00	10188.00	9662.00	11010.00	14142.00	13592.00	12276.00	13683.00	12987.00	10880.00	15032.00	10509.00	14285.00	11970.00	17412.00
6-hydroxy caproic acid Esi-3.9010007 :1	71344.00	77245.00	80204.00	1.00	65136.00	79330.00	81951.00	77009.00	1.00	1.00	83219.00	82890.00	1.00	89979.00	72346.00	1.00	1.00	82173.00	62151.00	68200.00	71680.00	61320.00	69606.00	76194.00	56581.00	77488.00	80984.00	85282.00	63445.00	74563.00
C18 H2 O19	21833.00	21573.00	19598.00	23285.00	21926.00	21854.00	20196.00	21068.00	21925.00	20749.00	23591.00	19452.00	21222.00	23240.00	23536.00	21941.00	20873.00	25078.00	23986.00	19611.00	20915.00	22861.00	22873.00	20288.00	18227.00	19710.00	23702.00	20758.00	20633.00	19119.00
17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,20-dione	21778.00	20006.00	19892.00	23338.00	20544.00	22383.00	20962.00	18632.00	20854.00	23772.00	19069.00	20625.00	19465.00	22817.00	20049.00	20620.00	23342.00	23242.00	21851.00	20940.00	23333.00	23103.00	24873.00	23643.00	20219.00	22664.00	25080.00	20697.00	23803.00	23413.00
Citrulline	14879.00	13885.00	15279.00	1.00	15153.00	12071.00	10523.00	12626.00	10775.00	23959.00	16343.00	9828.00	9456.00	6910.00	12031.00	16652.00	20300.00	14809.00	10973.00	15817.00	1.00	1.00	10644.00	7839.00	7399.00	13347.00	8301.00	11080.00	1.00	7031.00
C13 H2 O4	13141.00	1.00	9824.00	1.00	12433.00	13923.00	11879.00	14420.00	1.00	9591.00	13549.00	1.00	1.00	14703.00	18138.00	12740.00	13801.00	9341.00	21436.00	16256.00	1.00	10667.00	15983.00	9789.00	10683.00	1.00	14146.00	10156.00	12567.00	14487.00
C15 H30 O2	1.00	20972.00	12750.00	7503.00	11960.00	1.00	1.00	1.00	8206.00	8861.00	1.00	12599.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	5874.00	1.00	1.00	1.00	1.00	8513.00	1.00	10222.00	5955.00	17842.00
Promacyl	15582.00	17114.00	16263.00	14805.00	15873.00	15058.00	15927.00	15936.00	16441.00	17162.00	14903.00	15070.00	16349.00	17000.00	18010.00	15752.00	15880.00	17329.00	16031.00	16783.00	15582.00	16464.00	16651.00	14916.00	13360.00	16169.00	17486.00	14480.00	16589.00	14801.00
C20 H36 N2 O24	9874.00	45247.00	26867.00	19373.00	14848.00	19910.00	15421.00	12079.00	22113.00	23810.00	6016.00	24100.00	15807.00	14090.00	11591.00	18631.00	12273.00	11499.00	14254.00	20853.00	18476.00	18904.00	11683.00	17560.00	9338.00	26271.00	6213.00	29004.00	19456.00	30884.00
C31 H20 N16 O13	6637.00	21867.00	13456.00	11748.00	9726.00	12758.00	9844.00	8342.00	13537.00	12275.00	1.00	14592.00	10309.00	9570.00	7898.00	11613.00	7194.00	7566.00	9257.00	12607.00	11571.00	12415.00	7826.00	11186.00	7157.00	15623.00	1.00	16093.00	12376.00	15924.00
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-octanoate	18469.00	19297.00	19609.00	18975.00	18721.00	16437.00	17226.00	15822.00	20413.00	17434.00	17244.00	19421.00	18209.00	16274.00	19068.00	18718.00	17690.00	15631.00	15823.00	16940.00	18742.00	19961.00	19081.00	20235.00	13992.00	18737.00	19849.00	16836.00	15325.00	18756.00
C24 H28 N12 O15 S	6440.00	27795.00	16590.00	12957.00	10338.00	12971.00	10432.00	8551.00	13723.00	14876.00	1.00	14800.00	11050.00	9543.00	6725.00	12097.00	7129.00	6895.00	8974.00	13728.00	11354.00	12829.00	7386.00	11288.00	1.00	17879.00	1.00	17056.00	13417.00	18833.00
L-Homotyrosine	17309.00	19061.00	16004.00	14977.00	13819.00	13825.00	12056.00	14028.00	13833.00	16011.00	15622.00	13421.00	12836.00	15528.00	13328.00	13708.00	13446.00	12148.00	11307.00	13548.00	13594.00	14791.00	15710.00	17534.00	16769.00	18942.00	16007.00	15859.00	15049.00	15247.00
Lys Arg Arg Esi-13.602998	10249.00	19197.00	13662.00	13250.00	10273.00	9832.00	9845.00	6579.00	13685.00	15462.00	13284.00	12615.00	7743.00	8683.00	13969.00	12466.00	10415.00	7220.00	13315.00	9917.00	13439.00	13066.00	12089.00	9393.00	10204.00	16092.00	6782.00	15646.00	14653.00	15981.00
C8 H4 N4 O9 S	16789.00	16275.00	13896.00	20083.00	15564.00	15181.00	13013.00	13715.00	14576.00	13694.00	12254.00	14353.00	13673.00	15163.00	14927.00	13602.00	11603.00	14125.00	13030.00	13214.00	14301.00	11867.00	12925.00	13729.00	14131.00	11599.00	13979.00	13274.00	11669.00	12487.00
15(R)-17-phenyl trinor PGF2? isopropyl ester	10051.00	16480.00	12010.00	11375.00	9500.00	9465.00	8730.00	6817.00	11539.00	13326.00	6555.00	9919.00	6148.00	9826.00	5881.00	10651.00	10384.00	8168.00	1.00	9021.00	10987.00	11125.00	10198.00	8326.00	9729.00	12439.00	7092.00	13566.00	12612.00	15508.00
(25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-27-oyl taurine Esi-11.589997	1307887.00	6697474.00	3981245.00	606347.00	1457101.00	1550179.00	1707760.00	764393.00	3974388.00	3740209.00	368409.00	3213996.00	876046.00	895700.00	531646.00	2395635.00	1640378.00	1447616.00	480364.00	1933353.00	1883865.00	1596026.00	2429865.00	1869876.00	1199984.00	1958864.00	419035.00	2620742.00	1674672.00	2424343.00
C12 H2 N2 O13 S2	15838.00	14527.00	16191.00	14673.00	14845.00	15151.00	16422.00	16990.00	15337.00	16260.00	16855.00	15669.00	15625.00	16914.00	18194.00	15661.00	15969.00	18028.00	17597.00	15651.00	16707.00	15383.00	17333.00	15780.00	13778.00	17739.00	16978.00	15184.00	14779.00	13640.00
207.9803@0.941	48071.00	41689.00	54216.00	43332.00	54116.00	48151.00	43296.00	55571.00	40535.00	42327.00	40699.00	47236.00	54918.00	48484.00	42924.00	49237.00	32941.00	42365.00	60315.00	49905.00	48860.00	43803.00	49083.00	47382.00	36222.00	41169.00	58004.00	52419.00	40742.00	55880.00
3-Hydroxypropenoate Esi-1.007	17930.00	13051.00	9700.00	20608.00	9579.00	9475.00	12342.00	11983.00	10589.00	14007.00	19916.00	19036.00	10453.00	15705.00	14610.00	14905.00	13139.00	16592.00	10938.00	19307.00	21030.00	12907.00	18026.00	16162.00	20799.00	12840.00	16536.00	14141.00	11225.00	13585.00
Tetrabromobisphenol A	12802.00	13591.00	13154.00	12668.00	14361.00	14147.00	13496.00	14228.00	14172.00	15266.00	13388.00	13621.00	13234.00	14907.00	15695.00	13967.00	13637.00	15962.00	15327.00	14718.00	13852.00	13714.00	14795.00	14145.00	13509.00	14794.00	14521.00	13795.00	15311.00	15112.00
4-Pyridoxic acid	6012.00	7364.00	7266.00	8431.00	6949.00	6843.00	7109.00	7954.00	10881.00	13285.00	1.00	8117.00	8797.00	1.00	1.00	1.00	17496.00	11122.00	9321.00	14014.00	11509.00	8272.00	10635.00	8683.00	9444.00	5744.00	6846.00	6366.00	7648.00	9945.00
C41 H76 Cl O	9090.00	10140.00	8879.00	9639.00	10803.00	9560.00	9469.00	9082.00	9121.00	10787.00	6646.00	10317.00	8726.00	9615.00	7547.00	9315.00	10128.00	9537.00	8246.00	11448.00	9910.00	9985.00	10459.00	11999.00	9353.00	10628.00	10210.00	10068.00	10901.00	10741.00
285.1064@0.875	7857.00	7321.00	13644.00	9339.00	16709.00	9113.00	11520.00	9454.00	9920.00	16370.00	1.00	6505.00	12602.00	8387.00	6085.00	6536.00	8017.00	8719.00	10093.00	6516.00	11222.00	9375.00	8867.00	7585.00	5651.00	8389.00	11768.00	13436.00	11798.00	9342.00
Thifluzamide Esi-0.8330001	14313.00	14379.00	14226.00	13301.00	14711.00	15198.00	14675.00	15301.00	15614.00	16021.00	14761.00	14554.00	15266.00	16064.00	16491.00	14382.00	15863.00	17104.00	14791.00	14557.00	14436.00	15606.00	15165.00	14475.00	12174.00	15329.00	16540.00	14876.00	14765.00	14117.00
C37 H72 Cl N5	10391.00	11644.00	8953.00	10892.00	11846.00	10189.00	11059.00	11064.00	9111.00	11725.00	7220.00	11868.00	9456.00	9389.00	8260.00	10748.00	10004.00	9031.00	9759.00	10481.00	11942.00	10603.00	10028.00	12852.00	11206.00	12632.00	10754.00	11721.00	10802.00	12234.00
C7 H6 N2 O7 S	8051.00	18414.00	10063.00	8877.00	8990.00	10229.00	10163.00	8643.00	10674.00	23230.00	1.00	10024.00	11060.00	6448.00	12291.00	9223.00	10796.00	6613.00	9082.00	9226.00	10649.00	7829.00	9642.00	11808.00	7659.00	7309.00	8235.00	9450.00	8812.00	7013.00
6-hydroxy caproic acid Esi-4.014	60744.00	88195.00	86026.00	88092.00	78785.00	154541.00	87907.00	62076.00	170770.00	101279.00	90724.00	100639.00	92245.00	95378.00	59326.00	55928.00	189723.00	55679.00	99814.00	91797.00	85386.00	77284.00	87500.00	90220.00	88265.00	80297.00	79372.00	122070.00	74600.00	87751.00
Lysine	10619.00	8972.00	13698.00	9301.00	13777.00	15242.00	11545.00	14334.00	12330.00	14624.00	11198.00	13831.00	15855.00	9054.00	14070.00	10037.00	11364.00	13774.00	12078.00	13749.00	10579.00	11149.00	13004.00	11052.00	12270.00	13244.00	16509.00	13417.00	13922.00	17444.00
Xanthosine	12607.00	12786.00	13745.00	13030.00	13426.00	12771.00	11737.00	12073.00	13163.00	11959.00	13394.00	11955.00	12986.00	12734.00	12827.00	13303.00	13175.00	14365.00	12305.00	13006.00	14029.00	12272.00	11830.00	13531.00	10891.00	13562.00	12657.00	13055.00	12878.00	11665.00
C4 H8 N2 O3	7954.00	12470.00	11629.00	10516.00	12296.00	6565.00	10438.00	9358.00	13272.00	12559.00	9542.00	11123.00	6177.00	1.00	10056.00	9843.00	9290.00	10833.00	18501.00	10835.00	12347.00	9576.00	16265.00	6203.00	10157.00	10181.00	15962.00	6817.00	1.00	14905.00
Rishitin	12824.00	15603.00	12116.00	13683.00	12497.00	12583.00	12299.00	11210.00	13420.00	14093.00	13453.00	11551.00	12503.00	11437.00	11255.00	12157.00	12002.00	11015.00	9539.00	11416.00	11516.00	10369.00	12041.00	11209.00	9689.00	11013.00	9971.00	11033.00	10696.00	9982.00
C5 H6 N O5 S4	9685.00	1.00	8285.00	1.00	10405.00	13526.00	8734.00	11485.00	7866.00	8030.00	11009.00	8994.00	1.00	9542.00	11880.00	11127.00	12374.00	1.00	15406.00	14095.00	1.00	8638.00	9138.00	9187.00	8204.00	1.00	9781.00	6966.00	9313.00	9827.00
C17 H44 N13 O S	24338.00	283383.00	79036.00	52588.00	33841.00	31876.00	26309.00	16099.00	64061.00	76114.00	10533.00	60466.00	17617.00	25041.00	12312.00	38562.00	20233.00	15071.00	10232.00	35879.00	44258.00	43021.00	43133.00	24447.00	19339.00	82198.00	11868.00	90889.00	53608.00	126142.00
Promacyl Esi-12.0650015	10555.00	12115.00	12467.00	10490.00	11765.00	11279.00	11470.00	10502.00	11106.00	12197.00	10849.00	11260.00	11063.00	10533.00	11145.00	12347.00	13581.00	11351.00	12049.00	12802.00	12228.00	13917.00	13690.00	12247.00	12201.00	11924.00	14368.00	11652.00	12438.00	13279.00
C7 H10 O6 S	8793.00	6869.00	11181.00	7182.00	8041.00	1.00	6699.00	8968.00	11531.00	8181.00	6228.00	8261.00	7606.00	1.00	6294.00	1.00	1.00	14920.00	1.00	10755.00	7200.00	1.00	9207.00	9003.00	7672.00	1.00	7286.00	9009.00	7516.00	9567.00
207.9804@0.941	48412.00	42576.00	53813.00	44567.00	54116.00	47468.00	43296.00	55571.00	40646.00	42447.00	40465.00	36897.00	55094.00	48484.00	42924.00	48573.00	45525.00	42419.00	61016.00	49905.00	49568.00	43826.00	49083.00	47344.00	35680.00	40723.00	41933.00	52270.00	64662.00	56690.00
Aminomuconic acid	9079.00	12969.00	10141.00	10009.00	7777.00	9079.00	9752.00	13505.00	16931.00	15051.00	7098.00	12279.00	13030.00	1.00	11415.00	1.00	10895.00	21363.00	10901.00	12748.00	16088.00	6399.00	15590.00	11409.00	11494.00	10791.00	11037.00	12413.00	9038.00	12129.00
C34 H65 N9 O5	5769.00	6782.00	6691.00	7214.00	7360.00	7105.00	6849.00	7139.00	6957.00	8394.00	1.00	7359.00	6175.00	5875.00	5745.00	6479.00	6912.00	7206.00	7005.00	7099.00	7344.00	6750.00	7562.00	8757.00	6044.00	7350.00	7495.00	7560.00	7226.00	8633.00
C28 H59 N19 O	6944.00	8273.00	7270.00	7582.00	8667.00	7166.00	8040.00	8835.00	6759.00	8880.00	1.00	9228.00	6692.00	6798.00	7093.00	7679.00	7845.00	8064.00	7970.00	9164.00	8853.00	8133.00	8233.00	10600.00	8142.00	9327.00	8786.00	7570.00	8956.00	9486.00
Methionine	1.00	7104.00	1.00	8998.00	8227.00	9382.00	9122.00	10714.00	7669.00	12351.00	1.00	8927.00	8242.00	1.00	7671.00	1.00	8163.00	7569.00	7879.00	10511.00	6271.00	6479.00	11051.00	8038.00	6601.00	8811.00	9766.00	8991.00	7085.00	11617.00
589.9047@0.82600015	9738.00	8828.00	12058.00	10527.00	12259.00	10056.00	12285.00	12093.00	11974.00	11632.00	9176.00	9999.00	12440.00	11484.00	12745.00	10604.00	12245.00	12824.00	10404.00	10829.00	9312.00	9671.00	11007.00	11088.00	8008.00	11193.00	13462.00	11013.00	11100.00	10551.00
C13 H11 O2 S	9756.00	12158.00	14773.00	7996.00	10112.00	9362.00	14097.00	11182.00	19948.00	21292.00	1.00	8213.00	7188.00	1.00	16302.00	12137.00	12801.00	15010.00	16229.00	11481.00	7062.00	10160.00	10914.00	9081.00	8305.00	12817.00	10131.00	12981.00	6406.00	16252.00
Cer(d18:1/18:1(11Z))	4961.00	5312.00	4920.00	5938.00	5784.00	5203.00	5425.00	5181.00	5130.00	6185.00	3594.00	6199.00	5038.00	5416.00	4489.00	5321.00	6183.00	6291.00	5107.00	5372.00	6129.00	6037.00	5882.00	7065.00	5430.00	6851.00	5783.00	5912.00	6524.00	6234.00
C9 H2 N3 O2 S2	1574285.00	2782509.00	1.00	6557159.00	1.00	1431251.00	1.00	660598.00	1.00	363813.00	2036657.00	2328872.00	1.00	1795389.00	1.00	810344.00	61159.00	1.00	43118.00	2541504.00	4699961.00	1822201.00	160071.00	2469229.00	35507.00	3293060.00	1027971.00	1.00	1529002.00	7916.00
C20 H14 N4	993757.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	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 H9 N O5 S	902206.00	1.00	1.00	1.00	38716.00	297357.00	1.00	1.00	1.00	86402.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	535906.00	1.00	1.00	1.00	51250.00	1.00	1.00	1.00	469275.00	1.00	1.00	1.00	1.00
C19 H16 O4	619067.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	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 H21 N3 O3 S	250859.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	575835.00	1.00	30650.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	199030.00	205841.00	249575.00	1.00	1.00	1.00	77952.00
C15 H21 N3 O3 S Esi-3.923	142904.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	340701.00	1.00	21554.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	127662.00	168189.00	180082.00	1.00	1.00	1.00	50771.00
C21 H40 O3 S2	12368.00	283740.00	53496.00	192208.00	1.00	1.00	43879.00	36567.00	46850.00	22639.00	1.00	26576.00	1.00	1.00	1.00	1.00	1.00	28581.00	1.00	150027.00	91681.00	1.00	1.00	18502.00	7498.00	33967.00	17326.00	1.00	9317.00	64184.00
C5 H N2 O S	62677.00	20311.00	1.00	2178.00	1.00	1.00	1.00	1.00	1.00	20599.00	1.00	1.00	1.00	190964.00	1.00	1.00	1.00	1.00	1.00	17829.00	1.00	1.00	1.00	17587.00	87937.00	33638.00	2807.00	1.00	1.00	23686.00
Hippuric acid	41141.00	18831.00	12336.00	1.00	1.00	1.00	1.00	18397.00	1.00	18686.00	34735.00	50780.00	1.00	1.00	117291.00	1.00	1.00	1.00	1.00	11570.00	1.00	20921.00	1.00	11691.00	1.00	9451.00	6940.00	1.00	38917.00	1.00
C9 H8 N6 O9	22469.00	55826.00	1.00	53624.00	1.00	22426.00	1.00	1.00	1.00	1.00	7986.00	12374.00	1.00	15768.00	1.00	1.00	1.00	1.00	1.00	67034.00	70916.00	7584.00	1.00	36959.00	1.00	83044.00	9642.00	1.00	7388.00	1.00
C13 H16 N2 O4	48697.00	1.00	22749.00	1.00	1.00	17807.00	1.00	18405.00	1.00	17475.00	14637.00	1.00	1.00	28799.00	11474.00	1.00	30180.00	1.00	8737.00	1.00	1.00	1.00	7549.00	1.00	12157.00	20099.00	1.00	1.00	1.00	1.00
3,7-Dimethyluric acid	22440.00	8282.00	13000.00	10371.00	1.00	7937.00	8091.00	7418.00	15527.00	7179.00	31605.00	8707.00	13132.00	10932.00	10533.00	11841.00	17208.00	8172.00	6483.00	13826.00	10407.00	6344.00	6900.00	11898.00	7578.00	14268.00	9555.00	1.00	12337.00	8463.00
C7 H4 N2 O9	6967.00	14863.00	6648.00	1.00	1.00	7679.00	7605.00	6373.00	6454.00	16688.00	1.00	1.00	8132.00	1.00	8555.00	6085.00	7840.00	1.00	1.00	1.00	7893.00	1.00	1.00	6276.00	1.00	1.00	1.00	1.00	1.00	1.00
L-Arginine	7091.00	6640.00	1.00	1.00	9941.00	9436.00	7985.00	9952.00	6983.00	18958.00	9742.00	9819.00	8260.00	1.00	12632.00	11371.00	14070.00	9938.00	7501.00	7566.00	1.00	7651.00	10685.00	8720.00	10304.00	11502.00	10439.00	1.00	9043.00	11329.00
C24 H55 N16 O8	1.00	19480.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10945.00	1.00	11483.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	8858.00	1.00	1.00	42902.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C33 H71 N16 O9	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	59241.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	262910.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C34 H55 O11	1.00	14369.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	8820.00	13903.00	12661.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	94366.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C33 H53 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	14707.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C36 H59 O11	1.00	11398.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	9094.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	76852.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C18 H34 O4	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	2120.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	4171.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C7 H16 N4 O9	1.00	5907.00	6455.00	1.00	7752.00	1.00	5958.00	7802.00	12962.00	18525.00	1.00	7222.00	6791.00	1.00	1.00	1.00	36747.00	16254.00	11536.00	24516.00	7821.00	8880.00	15273.00	6393.00	9150.00	1.00	6228.00	1.00	1.00	15026.00
C18 H32 O4	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	2104.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	2498.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C3 H4 N2 S2 Esi-5.481	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	4081.00	1.00	1.00	1.00	1.00	1.00	1.00	2527.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C21 H32 N3 O5 S	1.00	65181.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	39896.00	16297.00	154515.00	1.00	94183.00	1.00	38553.00	1.00	1.00	1.00	52297.00
C6 H8 N4 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	1.00	1.00	8314.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C9 H16 N5 O7	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	996110.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	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 H13 N9 O6 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	288060.00	84514.00	1.00	1.00	38528.00	1.00	1.00	1.00	133798.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C14 H22 N11 O5	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	260467.00	257922.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	244084.00	1.00
C7 H4 N3 O5 S	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	725771.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00