Compound	pC18-02jun17-004	pC18-02jun17-005	pC18-02jun17-006	pC18-02jun17-009	pC18-02jun17-010	pC18-02jun17-012	pC18-02jun17-017	pC18-02jun17-020	pC18-02jun17-022	pC18-02jun17-025	pC18-02jun17-001	pC18-02jun17-002	pC18-02jun17-014	pC18-02jun17-015	pC18-02jun17-018	pC18-02jun17-019	pC18-02jun17-021	pC18-02jun17-024	pC18-02jun17-027	pC18-02jun17-028	pC18-02jun17-003	pC18-02jun17-007	pC18-02jun17-008	pC18-02jun17-011	pC18-02jun17-013	pC18-02jun17-016	pC18-02jun17-023	pC18-02jun17-026	pC18-02jun17-029	pC18-02jun17-030
Factors	Groups:Control | Gender:Female	Groups:Control | Gender:Female	Groups:Control | Gender:Male	Groups:Control | Gender:Male	Groups:Control | Gender:Male	Groups:Control | Gender:Female	Groups:Control | Gender:Female	Groups:Control | Gender:Male	Groups:Control | Gender:Female	Groups:Control | Gender:Male	Groups:Weight Losing | Gender:Male	Groups:Weight Losing | Gender:Female	Groups:Weight Losing | Gender:Male	Groups:Weight Losing | Gender:Female	Groups:Weight Losing | Gender:Female	Groups:Weight Losing | Gender:Female	Groups:Weight Losing | Gender:Male	Groups:Weight Losing | Gender:Male	Groups:Weight Losing | Gender:Male	Groups:Weight Losing | Gender:Female	Groups:Weight Stable | Gender:Female	Groups:Weight Stable | Gender:Male	Groups:Weight Stable | Gender:Female	Groups:Weight Stable | Gender:Male	Groups:Weight Stable | Gender:Female	Groups:Weight Stable | Gender:Male	Groups:Weight Stable | Gender:Male	Groups:Weight Stable | Gender:Female	Groups:Weight Stable | Gender:Female	Groups:Weight Stable | Gender:Male
Carnitine	27100000.00	29500000.00	35500000.00	32600000.00	30800000.00	23100000.00	22800000.00	32100000.00	26800000.00	38000000.00	32500000.00	32800000.00	33600000.00	22600000.00	25500000.00	1940965.00	22900000.00	27400000.00	36700000.00	26800000.00	28700000.00	21000000.00	11800000.00	36200000.00	27800000.00	27100000.00	28500000.00	30500000.00	13600000.00	39600000.00
Acetylcarnitine	14900000.00	9227311.00	16900000.00	3318820.00	10400000.00	12100000.00	17100000.00	14600000.00	6462506.00	18400000.00	24200000.00	8065655.00	12300000.00	10100000.00	12000000.00	10100000.00	10300000.00	13400000.00	13200000.00	13500000.00	12100000.00	11900000.00	9501978.00	16700000.00	13300000.00	11200000.00	14500000.00	9279877.00	6290419.00	18200000.00
Creatine	25300000.00	26400000.00	26200000.00	24600000.00	21300000.00	18200000.00	25000000.00	23900000.00	21400000.00	22600000.00	22500000.00	20200000.00	18200000.00	20600000.00	20700000.00	3946064.00	15400000.00	21600000.00	20300000.00	21500000.00	21400000.00	21500000.00	11100000.00	20100000.00	18300000.00	20400000.00	22600000.00	17800000.00	12700000.00	22100000.00
5-Methylcytidine	14100000.00	19200000.00	14200000.00	16000000.00	13700000.00	7812529.00	12800000.00	12400000.00	9172112.00	11100000.00	13600000.00	15400000.00	8522885.00	15700000.00	6759667.00	1.00	4066743.00	14500000.00	7062141.00	7300935.00	12200000.00	9897250.00	4090226.00	14100000.00	7747448.00	15400000.00	13800000.00	2389374.00	3222417.00	14900000.00
PC(14:0/20:2(11Z,14Z))	12300000.00	23800000.00	30000000.00	35900000.00	5307267.00	2045110.00	10700000.00	42700000.00	7466397.00	41200000.00	10400000.00	5139828.00	5806833.00	13600000.00	2083893.00	436223.00	227010.00	4938205.00	9333387.00	9531668.00	4265171.00	10700000.00	3360174.00	16900000.00	12200000.00	9441648.00	12800000.00	13100000.00	3643634.00	41300000.00
9-Hydroxyfluorene	19300000.00	17100000.00	19000000.00	18400000.00	19000000.00	18400000.00	18200000.00	18200000.00	18500000.00	18400000.00	17800000.00	19300000.00	18500000.00	17800000.00	18500000.00	18200000.00	18100000.00	18000000.00	18300000.00	17900000.00	18600000.00	18200000.00	18300000.00	17800000.00	18200000.00	18200000.00	17700000.00	18000000.00	18500000.00	18400000.00
Acetylcarnitine Esi+1.528	6504607.00	3138981.00	8604230.00	1122608.00	3790484.00	4672984.00	8657681.00	6764415.00	2064164.00	10300000.00	18200000.00	2557877.00	4887667.00	3731767.00	4682404.00	3406247.00	3566038.00	5581492.00	5621754.00	5652721.00	4921333.00	4680988.00	3041311.00	8470525.00	5903499.00	4294045.00	6477480.00	3171545.00	1891031.00	10200000.00
C28 H32 N18 O	4092076.00	4617432.00	5210802.00	5571623.00	3223332.00	2280671.00	6304877.00	7176189.00	2596016.00	10400000.00	3062665.00	2211869.00	1747420.00	3920708.00	2322523.00	1635622.00	919660.00	2388490.00	3349035.00	6562288.00	2270373.00	5714273.00	2130155.00	6614927.00	3272999.00	3919678.00	6676358.00	5282690.00	2630285.00	4916530.00
13-Docosenamide	575124.00	395493.00	1221247.00	271449.00	260170.00	49692.00	113637.00	1593879.00	52456.00	834542.00	171149.00	1208352.00	467036.00	465011.00	25637.00	13457.00	44124.00	2478172.00	343626.00	190237.00	182560.00	221474.00	75955.00	93694.00	215070.00	186800.00	537693.00	193518.00	60709.00	6509210.00
MG(0:0/18:0/0:0)	1963528.00	2453107.00	2396593.00	2601026.00	1629445.00	1628975.00	2317386.00	2744515.00	2321688.00	4225834.00	1368365.00	1664695.00	1989610.00	2136365.00	1578930.00	1185138.00	951979.00	1997064.00	2821430.00	2904916.00	1738005.00	2075983.00	1913203.00	2316357.00	2026102.00	2429134.00	2828915.00	3716845.00	2001248.00	4807273.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate	3849828.00	3547844.00	3391872.00	3385413.00	2880164.00	2368679.00	3654110.00	2959448.00	2204680.00	3666556.00	3355109.00	2702501.00	2451200.00	3817236.00	2917944.00	2306245.00	3169485.00	1967199.00	2571349.00	2622276.00	2643706.00	2700239.00	2391834.00	3434396.00	3151101.00	2441513.00	2379785.00	2301355.00	2258244.00	2860773.00
Acetylcarnitine Esi+1.528 :1	6681103.00	3198653.00	8610205.00	1123984.00	3794022.00	4728399.00	8670409.00	6776037.00	2066036.00	10400000.00	18200000.00	2558499.00	4889333.00	3731767.00	4683284.00	3425601.00	3566290.00	5591305.00	5624439.00	5654870.00	4931881.00	4676802.00	3041310.00	8502837.00	5904293.00	4294694.00	6479573.00	3172922.00	1891031.00	10200000.00
Creatinine	2876079.00	1930419.00	2601076.00	3490546.00	2217108.00	2609139.00	3103780.00	2767021.00	4450576.00	2327742.00	2090881.00	2058121.00	2202287.00	1718270.00	2171670.00	779399.00	1752856.00	2059110.00	2460858.00	2266031.00	1976121.00	2149434.00	1156473.00	1676663.00	2020063.00	3135728.00	2261449.00	2086002.00	1738040.00	3352101.00
8-Amino Caprylic acid	711729.00	1179904.00	959038.00	1905812.00	1183505.00	1019284.00	592387.00	1528761.00	776358.00	831058.00	632930.00	1117191.00	1052263.00	1898493.00	1044970.00	343456.00	674232.00	781573.00	1053408.00	918108.00	2532365.00	1019664.00	308193.00	917646.00	4081588.00	803448.00	672144.00	1155107.00	324068.00	1297930.00
gamma-Butyrobetaine	2167592.00	1089046.00	3505569.00	3109788.00	3117938.00	650516.00	1590760.00	2227781.00	1538971.00	4131721.00	3086446.00	2329369.00	2338607.00	798324.00	1539406.00	929865.00	1161852.00	1856224.00	2596121.00	1699830.00	1862768.00	1027351.00	430944.00	2455380.00	1998437.00	1687913.00	3439707.00	946509.00	439804.00	3878034.00
Betaine	2528987.00	1575517.00	4005285.00	3270955.00	3391964.00	1912343.00	2339542.00	3486638.00	1861300.00	4080670.00	3574685.00	1418427.00	1716043.00	1473671.00	1498820.00	26984.00	1859730.00	1609645.00	2926684.00	1514437.00	1063919.00	2032967.00	1126022.00	2301815.00	3254505.00	1836161.00	2210599.00	1922596.00	975577.00	3356732.00
C6 H15 N O	2362320.00	2448600.00	1964517.00	2415668.00	2537355.00	2651401.00	2943681.00	2447093.00	2386687.00	2144191.00	2073504.00	2378660.00	2121226.00	2491898.00	2237284.00	2394423.00	2684364.00	3332329.00	2168418.00	2216792.00	2009174.00	2440202.00	2873257.00	1772636.00	2445703.00	3631493.00	2849601.00	2593033.00	1887110.00	2572571.00
L-isoleucyl-L-proline	2733861.00	3275961.00	3177684.00	2486624.00	2655242.00	877071.00	1828960.00	2328411.00	2045526.00	3360593.00	2616276.00	3422054.00	2096575.00	1529967.00	2455897.00	2244863.00	813085.00	2565866.00	2146591.00	3002893.00	3610612.00	1161894.00	574927.00	2615671.00	2121053.00	1882232.00	2738625.00	1195773.00	497227.00	3331599.00
LysoPC(18:2(9Z,12Z))	1036419.00	767110.00	2925653.00	551607.00	489543.00	232132.00	526583.00	1365354.00	626957.00	2116359.00	914129.00	581219.00	1324245.00	656315.00	621308.00	668081.00	174534.00	684979.00	897433.00	826168.00	546584.00	554684.00	808555.00	740758.00	679087.00	731641.00	1055061.00	650552.00	485357.00	1547488.00
2-Amino-3-methyl-1-butanol	2632526.00	2163419.00	1923074.00	2105827.00	1449337.00	1916831.00	1377215.00	1545851.00	1137162.00	3012028.00	2654187.00	1253283.00	1693691.00	2356816.00	1385665.00	33717.00	831271.00	1631543.00	2422656.00	722323.00	1281402.00	1934392.00	673895.00	2398220.00	1092956.00	1583980.00	832551.00	790925.00	521232.00	2678069.00
L-isoleucyl-L-proline Esi+1.5649996	3094063.00	3416189.00	3885013.00	2688961.00	3127929.00	1202620.00	2429256.00	2925213.00	2369832.00	4407876.00	4311859.00	3302531.00	2415173.00	1839263.00	2768557.00	2422210.00	1106964.00	2998435.00	2594894.00	3427267.00	3886145.00	1408380.00	741234.00	3225572.00	2528062.00	2260889.00	3257323.00	1288496.00	654175.00	4478798.00
C9 H14 N4	610320.00	968869.00	808559.00	525369.00	620134.00	407846.00	765278.00	737387.00	551601.00	1106741.00	1118258.00	557581.00	716470.00	522437.00	918019.00	384037.00	366369.00	512593.00	527401.00	730614.00	1442283.00	363785.00	254782.00	883484.00	976912.00	587673.00	540251.00	486820.00	279006.00	1255845.00
4-Acetamido-2-amino-6-nitrotoluene	1100890.00	462484.00	1346340.00	1155090.00	1577308.00	864314.00	1463109.00	1276211.00	804055.00	1822813.00	1436718.00	451879.00	1305400.00	509917.00	1856335.00	1.00	541919.00	1476760.00	2301979.00	845734.00	287865.00	569176.00	152800.00	1575027.00	615825.00	671682.00	2277645.00	673079.00	275553.00	1152163.00
Diethylphosphate	2202446.00	1949004.00	2184376.00	2068273.00	2181803.00	2062049.00	2024634.00	2026167.00	2079009.00	2053143.00	2008781.00	2245535.00	2077088.00	1997939.00	2043453.00	2047679.00	2061683.00	2047064.00	2029731.00	2038282.00	2111417.00	2083705.00	2058293.00	2005282.00	2048031.00	2028485.00	2016754.00	2003607.00	2079500.00	2085478.00
4-(Trimethylammonio)but-2-enoate	138111.00	86873.00	304498.00	2156167.00	286711.00	27610.00	22676.00	27848.00	121635.00	911313.00	1822049.00	1432762.00	914709.00	56981.00	21629.00	7633.00	329924.00	190549.00	1837944.00	56558.00	9786.00	62181.00	5256.00	760000.00	937463.00	47036.00	621946.00	50706.00	10764.00	1618589.00
Vitamin E succinate(tocopherol succinate)	2082607.00	2051825.00	2077008.00	2033526.00	1985152.00	1967777.00	1895080.00	1969892.00	1889767.00	1929223.00	2132008.00	2102702.00	1944789.00	1972091.00	1895001.00	1875143.00	1883938.00	1913431.00	1538274.00	1739620.00	2067967.00	2029032.00	2015926.00	1990040.00	1997712.00	1862504.00	1880466.00	1896393.00	1907346.00	1939259.00
Thr Leu	680225.00	316371.00	607158.00	458131.00	562813.00	516187.00	424745.00	1391295.00	152326.00	655519.00	552135.00	1261415.00	525427.00	463945.00	109968.00	138378.00	289278.00	1662875.00	451458.00	574708.00	343925.00	670655.00	213162.00	163219.00	397755.00	450045.00	631816.00	204491.00	398551.00	1998473.00
C21 H37 N	63198.00	18811.00	57360.00	12472.00	14834.00	232791.00	90017.00	61730.00	12388.00	70067.00	11213.00	30728.00	65087.00	37944.00	78166.00	92368.00	10773.00	11546.00	98299.00	31943.00	7767.00	1555932.00	176460.00	11325.00	99035.00	916637.00	34457.00	17469.00	731532.00	176435.00
Trinexapac-ethyl	75784.00	42079.00	16171.00	7953.00	9010.00	265135.00	46917.00	39708.00	8899.00	3712.00	1.00	3631.00	38840.00	45080.00	81445.00	7904.00	1.00	1.00	3376.00	124251.00	1.00	3115.00	1.00	1.00	50098.00	184022.00	93007.00	1.00	1.00	1470657.00
C18 H32 N2 O3	12115.00	3139.00	28325.00	129762.00	1.00	218755.00	364480.00	87198.00	1.00	52831.00	18084.00	218976.00	340763.00	109873.00	101004.00	1068946.00	577837.00	335983.00	56028.00	1451843.00	360241.00	89741.00	395690.00	374868.00	34717.00	889841.00	4387.00	30990.00	143967.00	31222.00
MG(16:0/0:0/0:0)[rac]	668560.00	874504.00	787812.00	870963.00	485861.00	446865.00	769792.00	937784.00	798067.00	1158196.00	397089.00	519615.00	619649.00	755063.00	444551.00	281347.00	159745.00	696586.00	924510.00	941194.00	552616.00	727748.00	618602.00	781109.00	721578.00	818915.00	810873.00	1083146.00	678357.00	1239532.00
(R)-(+)-2-Pyrrolidone-5-carboxylic acid	996776.00	1346739.00	1602044.00	868486.00	907004.00	767074.00	1223399.00	1251342.00	1171653.00	1163051.00	1003255.00	1185461.00	1370399.00	580629.00	979432.00	1.00	955394.00	901261.00	1066543.00	1350249.00	1493918.00	707171.00	428641.00	944789.00	1222935.00	577017.00	1014816.00	1235035.00	590560.00	1171836.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate Esi+10.531003	1102209.00	1631716.00	1213493.00	1090851.00	2040698.00	1293341.00	1400759.00	1072981.00	688842.00	1069328.00	2063675.00	1473935.00	808854.00	900637.00	805370.00	831703.00	717008.00	750378.00	561838.00	851233.00	1008168.00	1590729.00	743749.00	1510923.00	1031224.00	621893.00	943822.00	607313.00	695037.00	404656.00
Bis (2-hydroxypropyl) amine	265990.00	296623.00	251046.00	310423.00	312168.00	324379.00	285297.00	297692.00	283792.00	258723.00	235881.00	303976.00	285373.00	285535.00	291293.00	320506.00	305548.00	313880.00	279635.00	315994.00	288358.00	310099.00	315399.00	259390.00	285682.00	328561.00	300601.00	311356.00	331572.00	254722.00
Isobutyryl carnitine	92837.00	196757.00	420801.00	80212.00	69312.00	59690.00	233904.00	77805.00	63893.00	157182.00	139379.00	210972.00	138360.00	113105.00	99999.00	139720.00	147238.00	268810.00	271325.00	218580.00	29034.00	149873.00	78147.00	1121066.00	36540.00	85018.00	90496.00	58769.00	24683.00	745153.00
Hypoxanthine	655367.00	563600.00	362501.00	611030.00	215555.00	942218.00	287818.00	739808.00	1040146.00	300143.00	208834.00	500825.00	275734.00	572549.00	434186.00	516942.00	104658.00	197339.00	270412.00	434389.00	573165.00	818312.00	771206.00	420474.00	595992.00	882448.00	363877.00	197220.00	1073777.00	334754.00
1,4-Diamino-2-nitrobenzene	781319.00	787604.00	1020533.00	758227.00	718037.00	487889.00	806706.00	880193.00	651507.00	824801.00	811465.00	640169.00	713339.00	626430.00	722250.00	621470.00	531597.00	768157.00	858147.00	748718.00	697297.00	632753.00	321435.00	792816.00	631183.00	602541.00	801613.00	608259.00	359073.00	886344.00
3-keto palmitic acid	126031.00	108222.00	124591.00	129998.00	91814.00	398163.00	225267.00	161867.00	99331.00	161392.00	137128.00	212840.00	245302.00	186755.00	165381.00	165276.00	229829.00	407586.00	140918.00	196897.00	233818.00	196777.00	161778.00	991781.00	166943.00	498466.00	89724.00	159617.00	149446.00	151845.00
Hypoxanthine Esi+1.5480002	753243.00	596659.00	486129.00	707544.00	258006.00	1062433.00	384833.00	933177.00	1219798.00	421179.00	299904.00	469381.00	329945.00	584183.00	460203.00	438954.00	100141.00	228342.00	365603.00	476079.00	551727.00	842793.00	534770.00	554234.00	676424.00	1058721.00	516755.00	148087.00	929372.00	520760.00
Isonicotineamide	937126.00	1081110.00	1297802.00	1147425.00	940787.00	362479.00	626502.00	1263724.00	694167.00	1517870.00	755491.00	677134.00	822115.00	706256.00	687146.00	434506.00	382312.00	857461.00	1132703.00	690541.00	740701.00	704702.00	234175.00	1122408.00	655333.00	749500.00	1033767.00	508328.00	300982.00	1041462.00
LysoPC(20:4(8Z,11Z,14Z,17Z))	388331.00	293026.00	425783.00	197600.00	92075.00	100121.00	353428.00	363904.00	169468.00	480206.00	243981.00	64490.00	538217.00	254340.00	306035.00	77615.00	169580.00	266062.00	521277.00	340083.00	97322.00	168032.00	266056.00	422626.00	260574.00	387731.00	987220.00	302252.00	155916.00	797062.00
Elaidic carnitine	195880.00	800544.00	584275.00	41682.00	27316.00	36331.00	78797.00	381651.00	37720.00	537300.00	238398.00	53816.00	88524.00	490036.00	31132.00	28446.00	40787.00	80493.00	84133.00	134071.00	78711.00	133667.00	50398.00	781800.00	118812.00	59662.00	71441.00	173424.00	11135.00	407208.00
C8 H18 O5	581552.00	475668.00	436964.00	495964.00	410138.00	803958.00	438919.00	468401.00	316999.00	609168.00	618945.00	446964.00	568966.00	740823.00	623901.00	471572.00	357935.00	504037.00	421763.00	473159.00	366839.00	910373.00	503766.00	412477.00	697569.00	457809.00	472118.00	478975.00	593114.00	385396.00
Niacinamide	637281.00	778183.00	910081.00	789645.00	684148.00	227934.00	450191.00	890530.00	466789.00	1029784.00	507272.00	504949.00	571668.00	491475.00	473922.00	293488.00	258668.00	595532.00	744136.00	471228.00	510467.00	477285.00	162310.00	796044.00	437221.00	499347.00	717182.00	344930.00	214869.00	742378.00
Resolvin D4	860468.00	880356.00	884268.00	910630.00	878475.00	880718.00	859318.00	852254.00	853205.00	838100.00	889271.00	919858.00	865823.00	847799.00	823040.00	854294.00	870454.00	825222.00	818195.00	808875.00	923208.00	849759.00	882158.00	859972.00	867368.00	844385.00	840948.00	844921.00	839627.00	830716.00
C11 H21 N O5	126651.00	629182.00	76498.00	73822.00	56302.00	60501.00	100384.00	268301.00	81974.00	122422.00	941416.00	500586.00	90583.00	81949.00	67909.00	96365.00	248578.00	13455.00	433878.00	76436.00	12420.00	41436.00	21646.00	79995.00	14651.00	29530.00	20776.00	83797.00	15727.00	296187.00
C8 H17 N3 O8	412342.00	798856.00	544605.00	494725.00	571353.00	293615.00	478389.00	530925.00	318030.00	359132.00	631678.00	617680.00	362361.00	601869.00	283911.00	1.00	178386.00	592333.00	242653.00	223098.00	518494.00	419076.00	140472.00	526480.00	311870.00	591437.00	550534.00	89781.00	122784.00	389732.00
Isoprothiolane	413521.00	551077.00	237998.00	344088.00	394364.00	1022664.00	261414.00	1131877.00	1075615.00	190458.00	336023.00	293612.00	98289.00	243343.00	473055.00	273391.00	161817.00	200877.00	295555.00	396590.00	369764.00	762113.00	487966.00	219743.00	354995.00	803623.00	511171.00	16086.00	454981.00	602692.00
Propionyl-L-carnitine	350910.00	174728.00	305992.00	308448.00	328131.00	221427.00	234635.00	183201.00	169183.00	756253.00	322603.00	217949.00	439515.00	263719.00	283165.00	105138.00	106612.00	269478.00	365618.00	372099.00	199884.00	243018.00	94287.00	447748.00	274147.00	354134.00	317508.00	170278.00	113119.00	767614.00
Inosine	298790.00	387388.00	176412.00	256542.00	291839.00	700933.00	181180.00	821137.00	771242.00	146049.00	238799.00	211109.00	64682.00	182850.00	333476.00	184423.00	108450.00	141955.00	209644.00	273129.00	255861.00	565627.00	317755.00	157613.00	251638.00	562626.00	364590.00	11480.00	299235.00	412418.00
Dihydrolevobunolol	666074.00	651570.00	659156.00	647258.00	652534.00	643598.00	670520.00	598957.00	666582.00	648828.00	609101.00	632725.00	666390.00	642186.00	653960.00	659953.00	671184.00	580653.00	633433.00	623807.00	681230.00	668606.00	690583.00	669247.00	679455.00	639259.00	575201.00	680349.00	663966.00	592327.00
PS(22:0/14:1(9Z))	474589.00	109044.00	1034708.00	33207.00	5825.00	3638.00	35858.00	47857.00	92253.00	141787.00	20709.00	3172.00	324673.00	52020.00	37743.00	102613.00	11733.00	11113.00	13102.00	16402.00	76401.00	58030.00	236817.00	10765.00	8223.00	9081.00	298404.00	57252.00	12132.00	54305.00
C15 H26 N6 O2	230181.00	294776.00	510155.00	444406.00	305903.00	103722.00	129350.00	329733.00	225846.00	596691.00	297426.00	369155.00	397482.00	138936.00	159540.00	1.00	102903.00	221512.00	542957.00	234718.00	237399.00	79474.00	11860.00	543887.00	206171.00	205527.00	259955.00	297390.00	18634.00	699220.00
C17 H39 N16 O5	268034.00	518751.00	729630.00	175666.00	414424.00	160384.00	225046.00	331330.00	274034.00	199412.00	87157.00	438111.00	580013.00	244129.00	598337.00	559094.00	292182.00	324919.00	285991.00	240179.00	200591.00	259235.00	438931.00	191431.00	74905.00	273120.00	297807.00	232061.00	183510.00	179320.00
3-Acetamidopropanal	1496460.00	1750743.00	1648496.00	1702965.00	1628198.00	1313430.00	1410310.00	1665447.00	1630091.00	1476429.00	1220787.00	1338544.00	1199076.00	1338849.00	1435277.00	182228.00	926889.00	1433464.00	1279970.00	1260039.00	1687339.00	1306594.00	625028.00	1520743.00	1365365.00	1382152.00	1578693.00	1014501.00	801308.00	1388258.00
Palmityl-L-carnitine	146635.00	588399.00	328206.00	27280.00	16412.00	24137.00	46684.00	139547.00	27253.00	343056.00	113909.00	32344.00	51978.00	357935.00	18548.00	18976.00	29945.00	84984.00	52734.00	84882.00	52435.00	92464.00	33687.00	379042.00	63349.00	38668.00	60218.00	123671.00	9098.00	238714.00
Otonecine	374391.00	460877.00	726984.00	460362.00	400653.00	230507.00	246129.00	402002.00	371711.00	357591.00	264746.00	429612.00	424882.00	366263.00	383315.00	410160.00	376968.00	375336.00	586816.00	460856.00	322389.00	372006.00	122075.00	498774.00	320070.00	543026.00	337918.00	349745.00	171203.00	685803.00
1,4-Diamino-2-nitrobenzene Esi+0.9830001	352741.00	583010.00	259125.00	249880.00	222412.00	545299.00	230555.00	250147.00	533206.00	396568.00	254123.00	246174.00	608254.00	561247.00	210148.00	225684.00	662439.00	632882.00	212857.00	611816.00	646990.00	259039.00	634721.00	210098.00	290133.00	348436.00	605531.00	632989.00	522437.00	207090.00
Bis (2-hydroxypropyl) amine Esi+1.5760001	102104.00	117813.00	113625.00	99600.00	134528.00	123744.00	128049.00	136513.00	117334.00	109341.00	130272.00	113295.00	109354.00	124901.00	117659.00	126438.00	125519.00	129211.00	118866.00	129086.00	119655.00	125014.00	118940.00	116961.00	126794.00	131993.00	127593.00	112274.00	122159.00	116166.00
L-Arginine	365105.00	377506.00	297392.00	457977.00	420700.00	338364.00	297597.00	587136.00	324565.00	271878.00	211782.00	427974.00	435609.00	338879.00	220375.00	1.00	424070.00	276687.00	345424.00	355284.00	640618.00	503935.00	195369.00	309155.00	628357.00	248230.00	222884.00	406620.00	298834.00	232038.00
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid	440405.00	389707.00	473555.00	405032.00	294442.00	303898.00	334037.00	477858.00	340321.00	474722.00	331175.00	344405.00	401751.00	368675.00	299580.00	297941.00	267163.00	347471.00	309676.00	277245.00	325591.00	365196.00	379228.00	391404.00	343891.00	334634.00	409935.00	369847.00	299878.00	429053.00
13C6-phe	581593.00	543264.00	594742.00	575131.00	579477.00	586551.00	564685.00	568740.00	559195.00	559812.00	566079.00	578737.00	529066.00	518265.00	564744.00	548986.00	521160.00	564969.00	554694.00	562361.00	590030.00	573637.00	563988.00	462269.00	601155.00	555423.00	547368.00	535878.00	558270.00	564182.00
C12 H13 N3 O5	464186.00	720790.00	459479.00	489894.00	514875.00	245627.00	441080.00	418913.00	237615.00	324075.00	528857.00	544815.00	273305.00	599700.00	211319.00	95486.00	135739.00	538620.00	206145.00	206537.00	410519.00	366389.00	176785.00	516733.00	254365.00	600939.00	474881.00	59860.00	115091.00	465718.00
2,3,5-Trimethacarb	822713.00	838431.00	998861.00	814476.00	816104.00	922062.00	803070.00	773304.00	778946.00	937079.00	856815.00	606126.00	730757.00	686384.00	629965.00	742959.00	837051.00	880712.00	612411.00	852282.00	606968.00	812164.00	859941.00	539348.00	851790.00	776799.00	815616.00	902913.00	847951.00	765397.00
2-Hydroxyethylphosphonate	616918.00	551210.00	610624.00	595692.00	609275.00	603139.00	578237.00	568560.00	605977.00	609696.00	580031.00	609244.00	598517.00	583903.00	595784.00	601104.00	590300.00	599289.00	561033.00	594864.00	600232.00	596190.00	600807.00	572336.00	603383.00	608012.00	575829.00	583135.00	595398.00	617255.00
2-Amino-3-methyl-1-butanol Esi+10.933998	263009.00	200752.00	563883.00	144492.00	115115.00	69498.00	173187.00	330242.00	158540.00	476728.00	230918.00	125070.00	345852.00	175774.00	188425.00	143072.00	72628.00	185111.00	279422.00	223892.00	123804.00	136316.00	183624.00	236362.00	190921.00	219245.00	405459.00	191733.00	133621.00	437110.00
Diethylene glycol	268028.00	320849.00	449705.00	48161.00	41702.00	359532.00	120516.00	148363.00	96781.00	76979.00	340492.00	557371.00	148241.00	129447.00	176907.00	130435.00	311538.00	142091.00	90721.00	104280.00	544884.00	372183.00	118459.00	172649.00	320237.00	162676.00	161584.00	128415.00	169663.00	60132.00
Neoilludin A	143661.00	207646.00	169984.00	226737.00	506929.00	341241.00	523866.00	482313.00	270019.00	664860.00	148985.00	155263.00	211697.00	241514.00	349173.00	360111.00	361901.00	355060.00	313796.00	508420.00	116574.00	289764.00	162792.00	368700.00	285679.00	241412.00	465125.00	345447.00	409995.00	229403.00
PC(16:0/9:0(CHO))	188266.00	58128.00	395890.00	29095.00	11369.00	7367.00	25045.00	31653.00	58303.00	50205.00	31194.00	9352.00	193721.00	43279.00	34250.00	81830.00	16756.00	16791.00	19585.00	19256.00	34963.00	43166.00	108440.00	9819.00	12187.00	19232.00	116164.00	46855.00	14406.00	29259.00
C11 H27 N8 O9	435299.00	450364.00	449481.00	382605.00	359235.00	354458.00	439511.00	396416.00	319428.00	356429.00	416368.00	361647.00	336722.00	347559.00	392419.00	1.00	318842.00	373481.00	336315.00	405592.00	384831.00	411205.00	202543.00	310105.00	361267.00	348822.00	379064.00	345144.00	246322.00	328345.00
3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone	463894.00	430694.00	451393.00	442655.00	469668.00	510861.00	457820.00	453110.00	450890.00	424407.00	485948.00	482071.00	471857.00	425799.00	479162.00	54330.00	488634.00	463108.00	474441.00	461924.00	477131.00	454320.00	524651.00	414631.00	492102.00	487347.00	448927.00	474945.00	501966.00	424228.00
2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate	367812.00	557237.00	410059.00	373955.00	640688.00	425835.00	445007.00	343026.00	239934.00	359886.00	646421.00	516276.00	240544.00	308402.00	280946.00	246955.00	246274.00	252070.00	191379.00	287950.00	347740.00	435715.00	221259.00	473924.00	347031.00	209304.00	308069.00	209381.00	244739.00	141343.00
PS(22:4(7Z,10Z,13Z,16Z)/17:0)	136028.00	335684.00	425534.00	54054.00	116872.00	1.00	278215.00	920623.00	115238.00	926070.00	230588.00	115933.00	147114.00	153250.00	48907.00	1.00	1.00	1.00	271657.00	134839.00	98359.00	101535.00	1.00	474214.00	180570.00	153071.00	157442.00	264761.00	1.00	681888.00
C11 H21 N O5 Esi+2.153	91526.00	405805.00	55843.00	44310.00	40442.00	41871.00	74044.00	195306.00	47365.00	91332.00	562553.00	328793.00	64674.00	59044.00	49311.00	63022.00	180722.00	6859.00	262828.00	56595.00	5913.00	27199.00	13185.00	59186.00	8294.00	20690.00	14068.00	48437.00	9624.00	218206.00
2,5-Dichloro-4-oxohex-2-enedioate	450254.00	391805.00	342701.00	411191.00	433070.00	492549.00	446590.00	361910.00	412717.00	311167.00	480737.00	486921.00	453302.00	411291.00	456839.00	154729.00	475570.00	453443.00	360655.00	457542.00	469597.00	434259.00	412255.00	325617.00	421358.00	384944.00	403689.00	459742.00	486624.00	395205.00
Angustifoline	83814.00	166713.00	150341.00	236911.00	225306.00	124421.00	70114.00	135816.00	439538.00	182236.00	149471.00	157078.00	83483.00	139841.00	64143.00	118513.00	63639.00	179195.00	143216.00	68804.00	200637.00	93322.00	33817.00	280185.00	184183.00	100989.00	44219.00	219562.00	64276.00	163198.00
Anhalonidine	140006.00	323095.00	136904.00	187390.00	424802.00	375781.00	146706.00	420786.00	142210.00	184234.00	459091.00	341067.00	153550.00	141571.00	385741.00	153846.00	361337.00	147715.00	144141.00	309742.00	153812.00	136607.00	561315.00	289782.00	321320.00	450067.00	302904.00	335234.00	253743.00	131423.00
DG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]	338774.00	403518.00	400425.00	412666.00	245592.00	236311.00	361759.00	390109.00	356545.00	450226.00	161731.00	252714.00	318855.00	342156.00	230413.00	127316.00	61380.00	311014.00	368196.00	378680.00	279039.00	350246.00	321948.00	376160.00	325523.00	372548.00	384525.00	431873.00	298757.00	458214.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate Esi+10.263	280082.00	362870.00	297472.00	271807.00	510545.00	341018.00	430608.00	352511.00	241982.00	410464.00	433255.00	305977.00	248342.00	256246.00	262089.00	312866.00	262067.00	247889.00	222187.00	318592.00	210734.00	399307.00	227812.00	390188.00	265132.00	217391.00	305245.00	231315.00	294101.00	168686.00
Apovincamine	275270.00	290586.00	357881.00	356123.00	212377.00	154353.00	411366.00	456853.00	182500.00	581803.00	192569.00	140498.00	128719.00	264034.00	163061.00	119885.00	65417.00	170171.00	237685.00	431931.00	144521.00	360517.00	143378.00	421496.00	215250.00	263158.00	453058.00	368743.00	188934.00	346215.00
3-keto palmitic acid Esi+10.437003	137663.00	116044.00	126405.00	143348.00	92549.00	441413.00	243760.00	208844.00	102218.00	158185.00	132303.00	208735.00	263345.00	206162.00	168096.00	186457.00	259466.00	469935.00	163961.00	211676.00	245146.00	215909.00	186562.00	1176816.00	178693.00	1001510.00	101348.00	173051.00	163482.00	152813.00
C24 H44 N4 O4	360202.00	291410.00	364624.00	359031.00	346612.00	349384.00	337814.00	344840.00	345781.00	329195.00	340858.00	372930.00	351073.00	314527.00	328811.00	355112.00	337394.00	344843.00	345920.00	344426.00	350336.00	337295.00	351279.00	307800.00	343606.00	345904.00	341705.00	344867.00	352368.00	344101.00
C33 H16 N13 O	381908.00	383053.00	376291.00	337050.00	330363.00	324137.00	258279.00	265161.00	259126.00	246696.00	375729.00	394925.00	290560.00	276644.00	270884.00	254703.00	244524.00	255385.00	233710.00	233579.00	400145.00	353504.00	321484.00	370633.00	305220.00	261405.00	242310.00	256463.00	243143.00	234632.00
C8 H14 N3 O6	250829.00	115148.00	308905.00	250045.00	354454.00	183877.00	308397.00	285717.00	173361.00	374295.00	325967.00	108840.00	288331.00	117393.00	364030.00	1.00	109872.00	334244.00	425288.00	173153.00	67847.00	126818.00	36186.00	357130.00	130599.00	164118.00	485009.00	132277.00	57337.00	264855.00
Dolichotheline	36548.00	34395.00	93187.00	13690.00	43203.00	6880.00	20103.00	185043.00	7226.00	57133.00	21874.00	96950.00	47147.00	27868.00	3675.00	3947.00	12076.00	285335.00	21685.00	54068.00	21166.00	27230.00	7896.00	4417.00	6067.00	12588.00	111081.00	10988.00	11207.00	360250.00
Meradimate	347221.00	336356.00	346263.00	358688.00	352997.00	339747.00	341368.00	334056.00	332002.00	340888.00	317020.00	361482.00	352550.00	336395.00	324957.00	334138.00	331324.00	328142.00	333172.00	344589.00	357065.00	347475.00	342203.00	337696.00	347232.00	340149.00	297140.00	333613.00	340300.00	333779.00
?-D-Glucose	347130.00	123100.00	189872.00	179981.00	323010.00	351443.00	184036.00	247054.00	349847.00	240980.00	208469.00	190166.00	173219.00	193716.00	208360.00	1.00	159259.00	134340.00	233372.00	216146.00	312337.00	211583.00	123467.00	151164.00	211961.00	325375.00	321284.00	64354.00	412767.00	249954.00
C6 H5 N2 O4	471815.00	506461.00	528821.00	466544.00	406073.00	335652.00	456542.00	496973.00	406593.00	494099.00	466857.00	417256.00	424110.00	376929.00	415366.00	286819.00	304559.00	396738.00	422265.00	440319.00	461788.00	422839.00	213420.00	458554.00	429651.00	370996.00	437142.00	386365.00	265320.00	461598.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate Esi+10.531003 :1	937478.00	1359751.00	1009901.00	925486.00	1688792.00	1104971.00	1197573.00	925316.00	595766.00	953558.00	1718497.00	1230674.00	687172.00	781667.00	707645.00	726847.00	615661.00	647650.00	494848.00	734127.00	862667.00	1335003.00	632667.00	1288924.00	880365.00	547258.00	807799.00	534815.00	608817.00	361626.00
Diethylene glycol Esi+1.632	202588.00	228178.00	398335.00	32614.00	28290.00	283646.00	88633.00	117619.00	69930.00	60297.00	324362.00	413729.00	103970.00	86653.00	122912.00	82046.00	196480.00	104238.00	64352.00	75534.00	440237.00	281866.00	66155.00	152283.00	245183.00	122488.00	119481.00	78260.00	103544.00	49738.00
Hexestrol monomethyl ether	401727.00	392500.00	378059.00	371255.00	371960.00	386956.00	355004.00	369538.00	374327.00	364841.00	398405.00	396340.00	393014.00	354505.00	364566.00	375692.00	377283.00	366760.00	295123.00	338905.00	378598.00	394974.00	388056.00	383755.00	377663.00	355624.00	373730.00	346652.00	375261.00	330357.00
2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate Esi+10.114004	349292.00	324313.00	308210.00	298231.00	308213.00	226900.00	346288.00	283453.00	211210.00	348604.00	320404.00	248580.00	227541.00	344971.00	277739.00	227290.00	292486.00	181699.00	225576.00	245559.00	243203.00	279309.00	229301.00	301045.00	286136.00	203728.00	225615.00	205371.00	218266.00	256138.00
PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-16:0)	122687.00	254352.00	140753.00	503810.00	97256.00	57967.00	202655.00	549838.00	113549.00	360172.00	214247.00	65570.00	44187.00	218853.00	44698.00	1.00	1.00	105091.00	131983.00	189262.00	75289.00	155756.00	40042.00	347291.00	260922.00	163285.00	166453.00	207485.00	77566.00	575188.00
Inosine 5'-monophosphate (IMP)	161053.00	232875.00	289443.00	299138.00	228972.00	31084.00	294016.00	287515.00	126635.00	365157.00	195986.00	182050.00	231274.00	165045.00	175931.00	116647.00	128550.00	228808.00	362572.00	193411.00	133992.00	64221.00	1.00	284333.00	153475.00	127951.00	247054.00	106865.00	25076.00	309231.00
C16-OH Sulfatide	110382.00	214823.00	295078.00	515221.00	38949.00	1.00	100971.00	650306.00	57822.00	620420.00	109245.00	28642.00	1.00	105372.00	1.00	1.00	1.00	1.00	92195.00	139079.00	18622.00	87618.00	1.00	199193.00	72840.00	88085.00	142247.00	133179.00	6637.00	605178.00
PA(O-16:0/0:0)	242481.00	278240.00	245722.00	276314.00	218800.00	217889.00	260427.00	286863.00	270946.00	368929.00	204248.00	238920.00	237954.00	254001.00	208564.00	176043.00	165443.00	246463.00	286959.00	288904.00	240400.00	253602.00	240004.00	266090.00	248929.00	277196.00	277533.00	330754.00	245166.00	381565.00
Hypaphorine	141193.00	16207.00	42824.00	62680.00	51372.00	170374.00	34652.00	329958.00	37357.00	8243.00	6026.00	7557.00	28907.00	20335.00	7831.00	1.00	8696.00	6520.00	1.00	6107.00	3746.00	140186.00	1.00	1.00	51118.00	6923.00	50418.00	16667.00	4753.00	111072.00
Fluconazole	312548.00	352476.00	368797.00	310929.00	275881.00	219483.00	307453.00	319547.00	253194.00	295031.00	297388.00	247333.00	235015.00	247914.00	282482.00	54508.00	204591.00	283782.00	264575.00	283404.00	287604.00	266388.00	151113.00	260578.00	235027.00	239570.00	288032.00	240498.00	159321.00	267562.00
6-Imino-5-oxocyclohexa-1,3-dienecarboxylate	200586.00	317290.00	352259.00	178823.00	175010.00	134282.00	253961.00	263896.00	225123.00	230642.00	168533.00	250111.00	262094.00	110636.00	156509.00	1.00	154074.00	172605.00	192989.00	263128.00	319677.00	128161.00	61137.00	184197.00	237357.00	113322.00	213362.00	206710.00	102035.00	260427.00
Pirimicarb	182017.00	162248.00	153300.00	249733.00	196927.00	344151.00	185593.00	171594.00	136889.00	170388.00	193126.00	170740.00	221961.00	218347.00	249886.00	239955.00	249104.00	185630.00	198260.00	292977.00	177845.00	323597.00	205782.00	148031.00	268774.00	320102.00	170517.00	177409.00	269793.00	319578.00
Streptidine	1296127.00	1413775.00	1372142.00	1163409.00	1058915.00	967244.00	1319762.00	1215156.00	973390.00	1073247.00	1206894.00	1030581.00	922513.00	1094920.00	1136930.00	22014.00	846381.00	1126703.00	983834.00	1161790.00	1158703.00	1176653.00	576380.00	926657.00	988816.00	984994.00	1140902.00	913761.00	667175.00	975555.00
C17 H36 O3	50067.00	173944.00	144731.00	262978.00	1245640.00	154115.00	786568.00	873775.00	200956.00	214425.00	233331.00	735681.00	74949.00	246857.00	172103.00	105136.00	1031955.00	91225.00	287308.00	103549.00	664248.00	254932.00	478234.00	122954.00	515965.00	1110332.00	121658.00	831137.00	614251.00	497199.00
Met-Abu-OH	294519.00	288702.00	271528.00	246481.00	238489.00	236578.00	185247.00	176411.00	178034.00	174167.00	291343.00	295061.00	203398.00	200821.00	184851.00	187497.00	179600.00	185331.00	158054.00	157211.00	288623.00	252944.00	242337.00	253951.00	222140.00	192415.00	188863.00	170412.00	162838.00	159200.00
5-Phosphoribosyl-5-aminoimidazole	205966.00	327933.00	242798.00	228479.00	141466.00	68449.00	162775.00	195745.00	129318.00	197655.00	170703.00	178453.00	98805.00	171128.00	61242.00	1.00	28220.00	153750.00	85080.00	89422.00	175693.00	109703.00	10502.00	209527.00	88099.00	162821.00	174173.00	25682.00	20490.00	264502.00
MG(0:0/18:0/0:0) Esi+13.614006	89268.00	131918.00	129596.00	140114.00	56373.00	54304.00	123250.00	169122.00	119979.00	236300.00	57695.00	61132.00	91618.00	105660.00	43949.00	24089.00	13428.00	92060.00	159955.00	167059.00	66943.00	99458.00	82745.00	126217.00	104534.00	123228.00	149597.00	219032.00	80607.00	244508.00
C39 H20 O3	304833.00	324108.00	301742.00	286384.00	274601.00	269507.00	217615.00	224504.00	213504.00	221724.00	303639.00	338365.00	234569.00	238934.00	226330.00	213297.00	212744.00	218521.00	192331.00	199544.00	312017.00	292624.00	271731.00	313491.00	261899.00	219913.00	209864.00	218602.00	192593.00	193173.00
Triphenylphosphine oxide	287244.00	271547.00	279784.00	276583.00	274096.00	276284.00	272028.00	272287.00	269799.00	269606.00	251414.00	286424.00	274676.00	275749.00	270415.00	268988.00	267446.00	277093.00	261033.00	265181.00	281017.00	277732.00	276552.00	266405.00	274909.00	267802.00	237170.00	271893.00	272340.00	273618.00
cis-Caryophyllene	24328.00	24942.00	22815.00	53035.00	20241.00	115307.00	74906.00	57327.00	14054.00	37817.00	32984.00	58722.00	68058.00	61266.00	39865.00	57624.00	109412.00	82123.00	42324.00	84823.00	75013.00	78447.00	60865.00	278942.00	45442.00	313295.00	20525.00	33939.00	44281.00	42211.00
PI(18:1(9Z)/20:3(5Z,8Z,11Z))	174590.00	305240.00	190049.00	373894.00	112779.00	61387.00	218822.00	402838.00	165899.00	422457.00	216922.00	88225.00	62237.00	246557.00	78177.00	1.00	1.00	119801.00	187652.00	184736.00	102175.00	189129.00	54357.00	271708.00	195600.00	233838.00	206955.00	267179.00	84695.00	595452.00
PG(12:0/17:0)	218232.00	234426.00	287455.00	269090.00	133280.00	76060.00	201889.00	207141.00	157799.00	286936.00	135761.00	104696.00	138603.00	200249.00	110840.00	33604.00	26452.00	133503.00	192426.00	164299.00	115329.00	173660.00	144608.00	191004.00	168576.00	176140.00	214637.00	308053.00	71832.00	285569.00
Gestrinone	37223.00	32875.00	34641.00	42253.00	24560.00	116248.00	64017.00	71277.00	27173.00	44046.00	39526.00	58004.00	69442.00	56357.00	50375.00	48430.00	71278.00	116627.00	45621.00	59306.00	67470.00	59198.00	51830.00	265931.00	50574.00	230690.00	28648.00	48845.00	46178.00	43606.00
C19 H39 N16 O5	84141.00	169266.00	96267.00	53725.00	65098.00	62659.00	133187.00	83057.00	60493.00	37212.00	25048.00	41806.00	217517.00	81217.00	271097.00	70765.00	315054.00	108862.00	151045.00	84387.00	33534.00	67373.00	148662.00	99559.00	32518.00	118171.00	251313.00	94730.00	50765.00	76848.00
Actinidine	191605.00	173433.00	174911.00	150691.00	138049.00	192126.00	118968.00	159061.00	92643.00	252329.00	311234.00	100949.00	187202.00	185593.00	145980.00	1.00	87263.00	141252.00	230020.00	49888.00	127477.00	195526.00	43217.00	215271.00	111879.00	144138.00	62400.00	83640.00	39303.00	159852.00
Linoleyl carnitine	54585.00	256365.00	171364.00	15693.00	23007.00	18296.00	30532.00	85635.00	16410.00	186821.00	97936.00	22169.00	28890.00	195924.00	15479.00	10424.00	17953.00	36908.00	35680.00	54139.00	25089.00	58412.00	15196.00	233896.00	33842.00	24510.00	20754.00	74960.00	7337.00	114359.00
C16 Sphingosine-1-phosphate	98531.00	88148.00	134588.00	87599.00	95081.00	43862.00	130494.00	77211.00	71491.00	134816.00	156681.00	88845.00	95031.00	110906.00	96508.00	77302.00	68012.00	93075.00	59418.00	100957.00	268662.00	52378.00	27107.00	124052.00	130666.00	65216.00	103421.00	58624.00	29613.00	181808.00
PE(P-18:0/18:4(6Z,9Z,12Z,15Z))	176801.00	411455.00	180584.00	476770.00	149963.00	82133.00	224060.00	445601.00	166769.00	459831.00	209729.00	70457.00	68321.00	203852.00	63329.00	1.00	6934.00	150603.00	285447.00	184086.00	97779.00	168497.00	60295.00	396750.00	317922.00	268102.00	280170.00	287431.00	110827.00	585315.00
C11 H21 N O5 Esi+1.3730001	99163.00	70300.00	65780.00	13957.00	29500.00	59413.00	270949.00	126975.00	23071.00	64194.00	241635.00	49729.00	58133.00	38908.00	58335.00	60903.00	150333.00	29924.00	100652.00	119640.00	20764.00	81727.00	49228.00	99943.00	38049.00	49675.00	87366.00	20998.00	40962.00	441619.00
Octylamine	286503.00	275338.00	331261.00	312517.00	327418.00	279183.00	306403.00	295009.00	306684.00	316407.00	298725.00	308852.00	295333.00	305996.00	295409.00	300892.00	264853.00	320861.00	319328.00	327513.00	295611.00	317712.00	323905.00	260254.00	321557.00	319057.00	318122.00	324852.00	290960.00	307005.00
PG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	185243.00	322769.00	234344.00	198630.00	202100.00	106354.00	193067.00	201895.00	131671.00	196830.00	256225.00	177840.00	147372.00	165128.00	96441.00	82226.00	44329.00	115867.00	108825.00	122984.00	121527.00	236290.00	140483.00	229754.00	173690.00	110227.00	179997.00	150819.00	100872.00	143141.00
Fampridine	107032.00	155347.00	114867.00	130233.00	84218.00	302391.00	98135.00	276475.00	296382.00	94534.00	123495.00	104059.00	70819.00	127523.00	135441.00	47785.00	39933.00	150151.00	143205.00	83399.00	75899.00	90742.00	57725.00	115180.00	139511.00	129973.00	166065.00	46867.00	50657.00	108349.00
7-nonynoic acid	47423.00	24158.00	54691.00	91038.00	20752.00	106152.00	168533.00	101648.00	17502.00	74475.00	51690.00	135460.00	165841.00	87579.00	75963.00	225794.00	250142.00	146802.00	73571.00	305315.00	169545.00	111256.00	130109.00	104884.00	87881.00	329382.00	40596.00	63883.00	104068.00	79467.00
Gabapentin	24049.00	21701.00	21976.00	14314.00	20639.00	13566.00	15796.00	16582.00	23149.00	7187.00	11245.00	81101.00	13753.00	18630.00	14100.00	21577.00	13599.00	15293.00	19380.00	198542.00	265164.00	22692.00	87281.00	8473.00	12109.00	22693.00	18216.00	14311.00	18607.00	18343.00
Prosopinine	15259.00	17192.00	15569.00	18932.00	12919.00	65637.00	33037.00	25965.00	13027.00	23134.00	21067.00	30755.00	34399.00	29813.00	21418.00	24202.00	35385.00	67315.00	23652.00	28770.00	32545.00	30140.00	23639.00	260446.00	23991.00	194974.00	13787.00	22838.00	20251.00	19453.00
Arg-OEt	184125.00	245913.00	235581.00	223222.00	140585.00	117559.00	134637.00	296876.00	182262.00	201396.00	201141.00	259033.00	119904.00	161854.00	91554.00	127824.00	121424.00	114880.00	134039.00	139544.00	206468.00	198551.00	56327.00	162370.00	207258.00	120739.00	114449.00	171307.00	82128.00	138734.00
Phosphorylcholine	73945.00	98323.00	126226.00	111663.00	62218.00	72288.00	49701.00	100974.00	91292.00	164777.00	111799.00	115060.00	104871.00	80903.00	48072.00	1.00	38693.00	35695.00	287360.00	42521.00	71308.00	137181.00	48660.00	66457.00	59758.00	65418.00	42364.00	65654.00	46863.00	94860.00
2,3,5-Trimethacarb Esi+1.6090003	170098.00	343207.00	336045.00	167949.00	348627.00	347959.00	323766.00	353839.00	335375.00	312847.00	337091.00	229441.00	159337.00	176438.00	219061.00	357391.00	213375.00	349155.00	221533.00	342688.00	330693.00	171422.00	190211.00	200219.00	249654.00	338833.00	359578.00	252293.00	165633.00	340681.00
18-hydroxy-9R,10S-epoxy-stearic acid	25966.00	27446.00	17918.00	45810.00	29578.00	67005.00	62147.00	48632.00	19381.00	28134.00	41646.00	48433.00	44566.00	46273.00	29337.00	50978.00	92081.00	36921.00	64815.00	61083.00	56332.00	65744.00	48851.00	53921.00	33297.00	162130.00	22895.00	25121.00	45635.00	32483.00
m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid	124888.00	119393.00	133387.00	176815.00	116740.00	130729.00	125899.00	118487.00	121895.00	173785.00	120290.00	131565.00	219636.00	116548.00	123014.00	116325.00	124856.00	118103.00	125706.00	111216.00	139570.00	118791.00	122470.00	147659.00	128818.00	249752.00	117539.00	113957.00	114869.00	116150.00
Xestoaminol C	256105.00	270528.00	260694.00	267122.00	256515.00	258591.00	259845.00	268405.00	258038.00	253690.00	266377.00	270002.00	261628.00	250877.00	250852.00	253041.00	262156.00	257605.00	241748.00	264674.00	262722.00	253778.00	263757.00	261758.00	268058.00	256437.00	242200.00	250377.00	249933.00	276008.00
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine	32040.00	266296.00	21890.00	29421.00	30509.00	17526.00	33718.00	41114.00	28491.00	30204.00	26464.00	33659.00	27780.00	18991.00	16626.00	3279.00	18692.00	15077.00	23115.00	22581.00	116646.00	29061.00	5731.00	26503.00	24888.00	13215.00	19697.00	13266.00	8869.00	25471.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate Esi+10.531003 :2	1074778.00	1583130.00	1181821.00	1065678.00	1986547.00	1262794.00	1370330.00	1048625.00	675459.00	1069328.00	2005855.00	1431446.00	786727.00	879603.00	787762.00	813946.00	702787.00	734804.00	551785.00	836484.00	980065.00	1550226.00	725791.00	1471485.00	1004193.00	609346.00	924558.00	596394.00	684998.00	397464.00
3-Furoic acid	102428.00	99556.00	69023.00	256228.00	171115.00	110742.00	123558.00	126642.00	197977.00	87679.00	31328.00	86694.00	125728.00	117939.00	89578.00	69350.00	142899.00	108340.00	161215.00	96278.00	48932.00	61677.00	25022.00	84214.00	95463.00	199751.00	169635.00	58403.00	94537.00	222676.00
3-(Pyrazol-1-yl)-L-alanine	279417.00	199629.00	219944.00	250994.00	154862.00	225855.00	202961.00	253971.00	234996.00	246401.00	166868.00	132982.00	223413.00	215280.00	236245.00	8716.00	97259.00	168701.00	184081.00	185101.00	192750.00	167585.00	61724.00	270499.00	212851.00	264053.00	232753.00	164404.00	190317.00	233041.00
cis-Caryophyllene Esi+10.355002	21575.00	20130.00	21453.00	38846.00	16681.00	91125.00	57559.00	44970.00	14888.00	33251.00	28137.00	47604.00	54319.00	44638.00	34894.00	42651.00	69405.00	74912.00	34820.00	61018.00	60311.00	59882.00	47367.00	219989.00	36963.00	238519.00	15491.00	27115.00	37049.00	34646.00
Adenosine	18023.00	13962.00	16118.00	10641.00	5812.00	68068.00	4438.00	7921.00	22090.00	13935.00	18993.00	16247.00	11787.00	9178.00	13523.00	10133.00	9493.00	15238.00	4938.00	13448.00	22866.00	75401.00	261292.00	12367.00	13832.00	16877.00	14518.00	12063.00	15298.00	20327.00
Idebenone Metabolite (Benzenehexanoic acid, 2,5-dihydroxy-3,4-dimethoxy-6-methyl-)	42962.00	79121.00	55945.00	72360.00	162266.00	112197.00	164478.00	157854.00	95363.00	223277.00	49925.00	56957.00	66851.00	75796.00	117218.00	115194.00	117546.00	115933.00	102013.00	170920.00	39562.00	95325.00	54955.00	124521.00	91082.00	79211.00	139739.00	121440.00	141664.00	77039.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate Esi+10.263 :1	331059.00	481481.00	365433.00	351032.00	613269.00	443742.00	530511.00	444545.00	304844.00	518448.00	525721.00	387786.00	307377.00	333754.00	343020.00	378136.00	327157.00	324445.00	274140.00	412165.00	268533.00	508708.00	297276.00	514336.00	342245.00	272136.00	378471.00	297819.00	343971.00	199188.00
C12 H21 N O6	61361.00	23750.00	53702.00	85271.00	79640.00	33546.00	45056.00	25188.00	27615.00	102675.00	245626.00	11132.00	68838.00	48234.00	19407.00	90117.00	51321.00	46984.00	42686.00	46957.00	31830.00	37100.00	1.00	66464.00	59382.00	23431.00	35369.00	39287.00	7857.00	162324.00
Met Tyr Leu	1.00	1.00	1.00	5609.00	1.00	1.00	1.00	1.00	12753.00	20696.00	1.00	20014.00	12518.00	4943.00	48482.00	266575.00	50979.00	27676.00	7185.00	69645.00	1.00	10684.00	9453.00	57315.00	54854.00	37693.00	1.00	3900.00	35530.00	1.00
C12 H26 O7	149392.00	144813.00	143560.00	186067.00	145546.00	144791.00	148864.00	151964.00	130436.00	136003.00	155580.00	150947.00	153550.00	131857.00	166420.00	165974.00	184561.00	132474.00	137958.00	171986.00	152221.00	142689.00	169796.00	119095.00	165814.00	210230.00	153178.00	161713.00	166202.00	244431.00
Chloromebuform	165740.00	150119.00	202947.00	183731.00	148420.00	202751.00	227181.00	215228.00	146807.00	186560.00	128960.00	243211.00	214321.00	217995.00	170274.00	188465.00	236805.00	196036.00	180756.00	214658.00	227882.00	220348.00	198139.00	196179.00	177736.00	244625.00	150671.00	169554.00	165656.00	222303.00
(25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-27-oyl taurine	252381.00	236036.00	255732.00	244719.00	237160.00	245414.00	228907.00	227154.00	227293.00	223145.00	229020.00	254953.00	231913.00	232678.00	229725.00	221340.00	222531.00	220418.00	215621.00	215165.00	258286.00	246355.00	249660.00	235946.00	221933.00	231204.00	201776.00	219124.00	215979.00	214388.00
Prosopinine Esi+10.354003	16760.00	13915.00	15107.00	17008.00	12684.00	59236.00	29660.00	20779.00	11437.00	20340.00	16010.00	28233.00	34033.00	26379.00	22466.00	22103.00	28985.00	57726.00	19165.00	26306.00	31103.00	26799.00	20614.00	210633.00	21664.00	160198.00	11880.00	19281.00	18407.00	18815.00
C11 H21 N O5 Esi+1.7929995	54526.00	629182.00	40072.00	73822.00	17646.00	37226.00	162157.00	83279.00	81974.00	41910.00	941416.00	1.00	35447.00	25999.00	37348.00	35894.00	96705.00	16624.00	433878.00	70326.00	14317.00	48812.00	28185.00	57167.00	20140.00	30188.00	49969.00	83797.00	22865.00	271588.00
CAY10606	220234.00	214104.00	215839.00	193254.00	183129.00	177360.00	141587.00	144904.00	133372.00	133923.00	213258.00	236950.00	154828.00	152419.00	147394.00	133212.00	126962.00	137648.00	107084.00	115563.00	226694.00	194602.00	182134.00	192487.00	166459.00	135234.00	133109.00	131646.00	119745.00	117096.00
2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate Esi+10.266999	134831.00	196508.00	151392.00	145700.00	276536.00	190217.00	231498.00	204971.00	126741.00	231419.00	224623.00	161822.00	125068.00	132200.00	143391.00	158213.00	134640.00	137303.00	114465.00	176530.00	113930.00	214072.00	113455.00	202997.00	142025.00	106662.00	163829.00	130302.00	149673.00	87779.00
Dehydrotestosterone	33073.00	29467.00	32683.00	35556.00	25411.00	95212.00	59588.00	42384.00	25562.00	43782.00	37405.00	55775.00	65035.00	47652.00	40160.00	41375.00	59346.00	98425.00	37382.00	50302.00	58704.00	50623.00	41433.00	203413.00	45499.00	180276.00	23612.00	41669.00	40385.00	40022.00
2-oxo-heneicosanoic acid	104490.00	118156.00	126138.00	125573.00	78996.00	77598.00	117199.00	138679.00	116782.00	186976.00	55378.00	76742.00	106522.00	109365.00	76158.00	50322.00	35000.00	102684.00	139797.00	142769.00	84267.00	107573.00	94418.00	116725.00	103231.00	120936.00	141786.00	173512.00	105469.00	202706.00
Di-n-propylphthalate	196808.00	202006.00	220787.00	208352.00	211425.00	210442.00	202336.00	200357.00	179237.00	187260.00	215915.00	220040.00	205424.00	196417.00	186987.00	191900.00	188751.00	184969.00	180458.00	181997.00	209930.00	202142.00	208621.00	211871.00	211473.00	191443.00	163884.00	185122.00	194718.00	190732.00
DL-Stearoylcarnitine	74345.00	193084.00	174076.00	8545.00	9332.00	11161.00	29866.00	64344.00	10450.00	178632.00	59661.00	21607.00	55082.00	126270.00	8267.00	4476.00	11894.00	52260.00	33584.00	35877.00	21799.00	58106.00	10921.00	147091.00	14314.00	19025.00	25469.00	86244.00	4720.00	188443.00
3-cis-Hydroxy-b,e-Caroten-3'-one	1.00	4720.00	1.00	14997.00	4044.00	1.00	18243.00	240980.00	1.00	12350.00	1.00	5492.00	1.00	24116.00	1.00	1.00	1.00	1.00	64504.00	6030.00	1.00	17516.00	1.00	78893.00	1.00	26656.00	1.00	18943.00	59876.00	124410.00
C17 H36 O3 Esi+12.648004	156284.00	137963.00	421409.00	186503.00	1245640.00	154115.00	785956.00	873775.00	160314.00	214540.00	233331.00	735681.00	51627.00	246857.00	172103.00	73236.00	1032939.00	153463.00	171617.00	80397.00	664248.00	255027.00	478234.00	95571.00	516718.00	1110332.00	106727.00	831137.00	614251.00	346374.00
C27 H12 N9	230067.00	245478.00	222611.00	217746.00	218998.00	195613.00	166130.00	177953.00	173454.00	167993.00	235960.00	252609.00	186121.00	171391.00	181262.00	161405.00	170011.00	168653.00	158682.00	161832.00	240024.00	228430.00	202477.00	227236.00	197945.00	171220.00	154543.00	174859.00	144228.00	159927.00
LysoPE(20:4(8Z,11Z,14Z,17Z)/0:0)	85355.00	55113.00	112566.00	74684.00	24743.00	25492.00	65355.00	139291.00	55744.00	130539.00	35494.00	13847.00	71169.00	61969.00	28191.00	19067.00	17948.00	50685.00	76004.00	83292.00	29903.00	38345.00	48618.00	83795.00	62640.00	73894.00	160662.00	64224.00	36701.00	191761.00
4-Heptyloxyphenol	18778.00	15962.00	38517.00	6949.00	20190.00	4238.00	10283.00	92392.00	6742.00	27869.00	11354.00	46257.00	20840.00	13469.00	1.00	4221.00	7046.00	156248.00	11582.00	24391.00	15206.00	15180.00	5819.00	4085.00	3152.00	8130.00	52559.00	5193.00	7937.00	203467.00
C24 H48 O6	78869.00	102011.00	117543.00	118215.00	44631.00	41175.00	90056.00	137171.00	82107.00	163799.00	49751.00	48987.00	67285.00	86922.00	38974.00	21124.00	14994.00	65004.00	102673.00	106326.00	51820.00	74732.00	61861.00	95796.00	83347.00	90695.00	106183.00	134860.00	52655.00	195965.00
C9 H19 N O	253018.00	245140.00	253259.00	253055.00	227887.00	244832.00	228311.00	239592.00	237453.00	243211.00	236598.00	245409.00	227379.00	224361.00	228690.00	240355.00	226715.00	242969.00	224563.00	251425.00	254645.00	244135.00	247871.00	246107.00	246594.00	226378.00	209047.00	242790.00	242969.00	225846.00
Bis (2-hydroxypropyl) amine Esi+2.9039996	144702.00	142718.00	170814.00	156234.00	157417.00	157493.00	160271.00	151170.00	137974.00	151416.00	191992.00	144470.00	156253.00	145432.00	155717.00	154857.00	151057.00	144723.00	151519.00	155513.00	141545.00	171395.00	155280.00	151224.00	147534.00	165211.00	167010.00	149490.00	159609.00	147228.00
C15 H32 O4	14637.00	16280.00	18518.00	71728.00	11907.00	46221.00	85015.00	53499.00	10295.00	17575.00	16465.00	88731.00	63436.00	38949.00	32025.00	76571.00	161887.00	55573.00	47374.00	139176.00	104047.00	53532.00	76516.00	71373.00	29945.00	213635.00	10970.00	30969.00	55285.00	72534.00
C16 H26 N O2	70190.00	74553.00	68948.00	67381.00	52947.00	1.00	66263.00	89279.00	140425.00	62277.00	46864.00	144226.00	43549.00	66936.00	43889.00	1.00	12291.00	1.00	79037.00	27526.00	74389.00	75343.00	22329.00	112022.00	3684.00	83231.00	72436.00	88130.00	79295.00	52103.00
PA(17:0/22:0)	208682.00	218967.00	209252.00	212366.00	190958.00	188890.00	194875.00	197895.00	192848.00	219488.00	175385.00	201397.00	196865.00	200480.00	174067.00	144950.00	104442.00	184286.00	182839.00	179540.00	204366.00	209138.00	202712.00	204264.00	200549.00	199708.00	192121.00	210147.00	177990.00	218629.00
Adenosine Esi+2.958	11449.00	9788.00	11072.00	5077.00	5816.00	55324.00	4548.00	1.00	12953.00	8109.00	11351.00	10334.00	6924.00	3935.00	7062.00	8845.00	4770.00	8667.00	5205.00	8419.00	16649.00	61053.00	220139.00	5637.00	7241.00	11257.00	8005.00	5108.00	9092.00	14102.00
C28 H53 N13 O2 S	32887.00	8381.00	63962.00	3829.00	1.00	1.00	3759.00	3608.00	7985.00	8065.00	1.00	1.00	27500.00	5960.00	4346.00	11333.00	1.00	1.00	1.00	1.00	6488.00	5034.00	18000.00	1.00	1.00	1.00	26802.00	4703.00	1.00	6054.00
C6 H14 O4	204205.00	171787.00	153953.00	140705.00	179487.00	203420.00	185523.00	199493.00	181124.00	201935.00	336920.00	176949.00	180207.00	203747.00	187953.00	173134.00	174813.00	155888.00	207269.00	203791.00	156357.00	182913.00	175721.00	156695.00	161542.00	185843.00	184667.00	205395.00	179391.00	188734.00
7(Z)-Pentacosene	60224.00	69377.00	66337.00	56484.00	59633.00	58709.00	58782.00	62199.00	58080.00	51826.00	60445.00	248397.00	62432.00	53375.00	57637.00	55224.00	53808.00	56021.00	53691.00	54796.00	71072.00	56813.00	57694.00	100950.00	66970.00	70139.00	149856.00	60700.00	55335.00	73023.00
Alanine	238289.00	251402.00	261685.00	238379.00	199760.00	167309.00	235274.00	228864.00	208164.00	227630.00	213315.00	189172.00	165493.00	215944.00	193571.00	33608.00	136871.00	210261.00	194853.00	201377.00	206285.00	205553.00	88727.00	196611.00	167995.00	190576.00	218883.00	162426.00	109098.00	216273.00
C30 H55 N5 O5	200443.00	160595.00	196311.00	195545.00	189387.00	192404.00	192098.00	191254.00	189782.00	183329.00	189018.00	210386.00	199059.00	180431.00	187859.00	192806.00	188969.00	195974.00	187744.00	189146.00	198857.00	196808.00	200597.00	178622.00	194448.00	191156.00	194019.00	186471.00	192904.00	187049.00
C41 H70 O4	91807.00	156228.00	102397.00	203500.00	63942.00	38492.00	124460.00	236288.00	97080.00	249604.00	111955.00	48209.00	42345.00	134015.00	48373.00	1.00	1.00	74395.00	114822.00	113554.00	58503.00	101105.00	36490.00	148165.00	107881.00	135703.00	121010.00	158342.00	58034.00	353803.00
Neoilludin A Esi+6.1999984	43053.00	79121.00	55989.00	72783.00	165135.00	114679.00	169394.00	161388.00	97032.00	230520.00	49925.00	56957.00	66773.00	76195.00	118061.00	117205.00	118886.00	117490.00	103263.00	174790.00	40166.00	98161.00	55258.00	125952.00	91704.00	79917.00	142348.00	122161.00	141952.00	77320.00
Tris(butoxyethyl)phosphate	56580.00	56714.00	64070.00	59123.00	88058.00	58451.00	59301.00	59405.00	55562.00	83882.00	61504.00	65074.00	190277.00	54776.00	56600.00	59276.00	58340.00	58336.00	58040.00	54443.00	57233.00	61183.00	56501.00	78347.00	57800.00	110562.00	59335.00	55133.00	56470.00	56258.00
Zotepine N-oxide	157419.00	214301.00	152347.00	190181.00	163491.00	89945.00	145121.00	140157.00	103484.00	122686.00	158020.00	183788.00	98943.00	188040.00	79946.00	1.00	52349.00	169537.00	82615.00	84246.00	142905.00	119073.00	55508.00	158012.00	90732.00	192949.00	154763.00	30060.00	45104.00	167551.00
LysoPE(24:1(15Z)/0:0)	226100.00	199188.00	218379.00	212578.00	204823.00	215575.00	201627.00	203992.00	200995.00	199680.00	182620.00	227117.00	210049.00	201433.00	202302.00	204016.00	202853.00	198817.00	194766.00	191315.00	220341.00	212573.00	216671.00	206724.00	208789.00	206574.00	174689.00	199791.00	198268.00	193531.00
Gln Pro Ala	150482.00	160718.00	191171.00	169983.00	153987.00	120067.00	133287.00	168557.00	135180.00	178074.00	165885.00	164443.00	161383.00	118111.00	132546.00	1.00	101914.00	143368.00	178749.00	146299.00	146438.00	106511.00	30968.00	168899.00	138267.00	141421.00	147052.00	150712.00	47922.00	183954.00
C10 H2 N3 O	116907.00	111405.00	125618.00	164115.00	135736.00	121476.00	114820.00	123708.00	88683.00	116636.00	140927.00	118875.00	96202.00	100083.00	108618.00	110141.00	233284.00	85118.00	88110.00	111282.00	113129.00	129885.00	118949.00	137771.00	105780.00	145698.00	110249.00	92389.00	120508.00	81231.00
C9 H4 N5 O9	173956.00	163439.00	170555.00	171689.00	160351.00	174599.00	167485.00	164425.00	154695.00	165832.00	165286.00	181590.00	166849.00	170760.00	160983.00	164806.00	171977.00	166033.00	160059.00	166253.00	183404.00	176745.00	170559.00	171157.00	170111.00	176822.00	141268.00	166651.00	174954.00	168232.00
PC(16:0/9:0(COOH))	33524.00	11436.00	56015.00	5924.00	3015.00	1.00	7918.00	9622.00	13849.00	9597.00	1.00	4119.00	37898.00	9894.00	8732.00	23610.00	4827.00	4606.00	1.00	3118.00	6706.00	8702.00	22503.00	1.00	1.00	3936.00	23553.00	10123.00	4076.00	6419.00
C16 H34 O9	161621.00	136742.00	158097.00	152631.00	154943.00	154756.00	148959.00	186788.00	143221.00	149851.00	167228.00	159764.00	163868.00	141162.00	151997.00	151993.00	148613.00	146191.00	146370.00	153303.00	171883.00	148593.00	162471.00	134726.00	155302.00	157607.00	144625.00	148594.00	149104.00	159899.00
(E)-2-Butenyl-4-methyl-threonine	107557.00	152532.00	266186.00	212128.00	171213.00	81422.00	108898.00	201668.00	88240.00	549384.00	117411.00	153379.00	152892.00	138069.00	128103.00	150567.00	83444.00	115505.00	247410.00	173657.00	73565.00	85189.00	38749.00	193507.00	100588.00	200124.00	127795.00	198815.00	38888.00	296733.00
C4 N O4 S	179330.00	159688.00	168500.00	167810.00	182497.00	192504.00	150720.00	166258.00	181514.00	138842.00	188373.00	155618.00	168931.00	150642.00	155920.00	64835.00	184240.00	183740.00	152315.00	156453.00	160073.00	182684.00	175962.00	170608.00	180817.00	190870.00	174365.00	156905.00	177265.00	172461.00
Taurine	196805.00	107533.00	132064.00	226478.00	68005.00	137402.00	214658.00	150124.00	106802.00	172794.00	129739.00	70304.00	65901.00	125541.00	111359.00	3978.00	51199.00	67169.00	137625.00	128754.00	131433.00	89643.00	36716.00	84877.00	107141.00	79935.00	143574.00	119655.00	25774.00	135120.00
C9 H6 N5 O7 S	165631.00	155105.00	162835.00	157859.00	157718.00	158381.00	155058.00	158663.00	147321.00	155857.00	148632.00	171981.00	156076.00	155982.00	152840.00	154980.00	163260.00	148864.00	156538.00	163550.00	163930.00	162770.00	162878.00	163690.00	159059.00	169779.00	135168.00	160959.00	159260.00	162055.00
Pantothenic Acid	35236.00	40792.00	41442.00	183983.00	26279.00	12027.00	24527.00	86250.00	26440.00	144359.00	140527.00	40731.00	53678.00	49828.00	20809.00	7483.00	9604.00	25795.00	35472.00	20292.00	31010.00	19365.00	4245.00	23353.00	23602.00	25749.00	82651.00	67926.00	6876.00	51708.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate Esi+9.979003	102089.00	148119.00	112713.00	98108.00	189427.00	126091.00	138272.00	107481.00	67842.00	109824.00	170872.00	125078.00	82604.00	87176.00	79813.00	85405.00	3559628.00	80361.00	2886988.00	91510.00	88240.00	153817.00	73823.00	142882.00	95810.00	64998.00	93673.00	60689.00	74658.00	3221974.00
Dicrocin	142844.00	147491.00	155551.00	155212.00	124851.00	107346.00	154705.00	160904.00	112545.00	180067.00	130035.00	107364.00	90433.00	135561.00	103604.00	89407.00	58556.00	107816.00	117426.00	152150.00	107807.00	160455.00	101565.00	160917.00	124920.00	133815.00	148496.00	148339.00	106637.00	139450.00
Multifidol	128233.00	106534.00	150547.00	106443.00	93148.00	158577.00	131067.00	144524.00	107573.00	122725.00	95770.00	148217.00	152861.00	153788.00	129324.00	138217.00	146137.00	139043.00	101036.00	116666.00	143226.00	178726.00	135786.00	124516.00	147621.00	140282.00	120524.00	95499.00	106157.00	96107.00
1,4-Diamino-2-nitrobenzene Esi+1.3429997	198361.00	172169.00	240222.00	168187.00	222157.00	99881.00	128422.00	177521.00	133444.00	213463.00	196592.00	290682.00	147007.00	120592.00	155143.00	141243.00	108007.00	175054.00	177830.00	171466.00	200998.00	134252.00	1.00	198788.00	148453.00	125729.00	166459.00	115204.00	53861.00	163713.00
Lacidipine	161173.00	138842.00	135236.00	139077.00	125917.00	108870.00	178200.00	146378.00	111759.00	179520.00	122901.00	102014.00	118625.00	188657.00	146332.00	118569.00	159479.00	103929.00	134371.00	134955.00	109020.00	116604.00	114265.00	158537.00	152485.00	124961.00	117999.00	126286.00	120060.00	152873.00
C18 H38 O10	152771.00	123898.00	144023.00	144271.00	144895.00	147213.00	144558.00	167622.00	133183.00	139456.00	152028.00	151934.00	145581.00	124690.00	138805.00	138950.00	139336.00	135699.00	132911.00	141481.00	157911.00	140074.00	149964.00	128690.00	145406.00	140155.00	139079.00	140626.00	138327.00	159628.00
Trovafloxacin	166098.00	158615.00	164397.00	140213.00	139584.00	133109.00	112396.00	109729.00	109142.00	113326.00	154564.00	181057.00	113421.00	125395.00	119779.00	108253.00	99457.00	110959.00	91250.00	100254.00	164883.00	143963.00	144541.00	157480.00	126817.00	109660.00	112092.00	104423.00	91140.00	92431.00
12-amino-dodecanoic acid	101384.00	39811.00	89489.00	37893.00	69736.00	32726.00	50678.00	168959.00	20952.00	81024.00	46446.00	121874.00	96952.00	65389.00	20806.00	22898.00	30768.00	140076.00	46927.00	61231.00	50947.00	63419.00	26635.00	20115.00	40325.00	47035.00	90740.00	20159.00	38520.00	164392.00
Pirbuterol	199273.00	178945.00	194039.00	186986.00	183906.00	185382.00	172054.00	168862.00	171312.00	165985.00	172635.00	210166.00	181215.00	175017.00	176130.00	171153.00	175535.00	168647.00	166235.00	170466.00	199845.00	186316.00	186047.00	179639.00	178292.00	176399.00	150712.00	167156.00	165479.00	169467.00
C8 H17 N O3	65589.00	63598.00	91004.00	72214.00	27143.00	41503.00	43756.00	56018.00	26693.00	65382.00	35538.00	84319.00	60879.00	44040.00	62145.00	39097.00	25640.00	41500.00	105851.00	93107.00	28413.00	47884.00	15838.00	59549.00	62149.00	41768.00	60094.00	67241.00	17706.00	183192.00
C7 H2 O5 S2	152781.00	140537.00	150195.00	153677.00	162445.00	173955.00	157135.00	159461.00	154963.00	147066.00	163485.00	166187.00	158168.00	147471.00	165770.00	22204.00	171645.00	158509.00	156547.00	157171.00	165466.00	158060.00	185645.00	139749.00	165929.00	169811.00	153915.00	164827.00	179351.00	150646.00
Ajmaline	159742.00	144788.00	152331.00	156574.00	146048.00	150565.00	146661.00	174318.00	147198.00	139896.00	161247.00	153458.00	160727.00	136076.00	158779.00	156272.00	167796.00	150615.00	140124.00	151109.00	155778.00	145385.00	167693.00	126444.00	154824.00	163122.00	155437.00	148815.00	148718.00	167909.00
Hypoxanthine Esi+1.1469997	87862.00	124229.00	143052.00	149402.00	121709.00	27055.00	153028.00	147347.00	74621.00	181142.00	99494.00	89717.00	120454.00	97488.00	92533.00	67431.00	64937.00	126278.00	183968.00	100008.00	70608.00	38571.00	214931.00	148316.00	83818.00	71888.00	127295.00	59868.00	15839.00	160909.00
DMPO	185252.00	178902.00	171630.00	191838.00	198910.00	178893.00	205595.00	180810.00	177362.00	192162.00	208917.00	218984.00	190282.00	182473.00	182643.00	185791.00	187269.00	190551.00	178072.00	170609.00	195019.00	192900.00	192483.00	172033.00	227056.00	213877.00	196514.00	205535.00	171743.00	185464.00
5-Nitro-ortho-anisidine	94427.00	177820.00	163624.00	96474.00	82942.00	47844.00	120886.00	117469.00	88953.00	101865.00	76234.00	121831.00	102907.00	59916.00	59665.00	1.00	47625.00	89772.00	75853.00	95109.00	132509.00	48629.00	20059.00	90008.00	86645.00	56607.00	92093.00	64721.00	27830.00	123306.00
C35 H20 N10 S	152027.00	152854.00	143626.00	131219.00	128832.00	126764.00	97424.00	103394.00	100599.00	98841.00	142958.00	149463.00	108571.00	109048.00	105018.00	95995.00	90361.00	96785.00	88476.00	90631.00	151438.00	138697.00	130932.00	146462.00	123489.00	95800.00	96390.00	93870.00	92770.00	87865.00
LysoPC(16:0)	31414.00	37215.00	42729.00	148988.00	27894.00	24342.00	74171.00	104408.00	128014.00	78261.00	21694.00	18071.00	25990.00	35694.00	13968.00	11266.00	7165.00	23468.00	60074.00	42442.00	19211.00	100435.00	25330.00	37317.00	42562.00	89365.00	45992.00	77388.00	55237.00	139871.00
Nandrolone phenpropionate	31526.00	25872.00	62809.00	12766.00	38420.00	6659.00	17688.00	133791.00	6308.00	45546.00	21162.00	79010.00	36909.00	24451.00	3914.00	3686.00	10179.00	184909.00	20277.00	45222.00	19693.00	23081.00	6360.00	4789.00	5333.00	14194.00	79567.00	9732.00	10744.00	209123.00
Onocerin	138470.00	130667.00	135206.00	131332.00	130860.00	128229.00	126639.00	126940.00	122944.00	127126.00	131649.00	139233.00	125905.00	126079.00	122451.00	123959.00	127337.00	125463.00	123241.00	123326.00	138679.00	131310.00	133112.00	127414.00	131366.00	124750.00	118821.00	128409.00	123959.00	121469.00
C37 H77 N9 O8 S	178334.00	43629.00	379007.00	12118.00	1.00	1.00	14145.00	19916.00	38047.00	59050.00	7740.00	1.00	131252.00	20261.00	19675.00	63065.00	4182.00	1.00	1.00	4525.00	25424.00	22022.00	98498.00	4166.00	1.00	1.00	88174.00	21506.00	3185.00	18087.00
C23 H41 N	137219.00	134655.00	138457.00	137434.00	139108.00	138001.00	132727.00	135849.00	133472.00	138202.00	142222.00	138088.00	139412.00	134627.00	132248.00	132011.00	131131.00	133408.00	129791.00	135776.00	139922.00	137154.00	136630.00	134621.00	134747.00	140733.00	125205.00	135785.00	133241.00	139813.00
2-amino-4-cyano-butanoic acid	44767.00	38913.00	139927.00	30095.00	88018.00	69883.00	25800.00	145716.00	65555.00	235863.00	100741.00	243876.00	213955.00	25591.00	31057.00	1.00	141851.00	139191.00	168400.00	42061.00	192572.00	24356.00	34971.00	157719.00	161629.00	76796.00	226978.00	42976.00	35637.00	159755.00
PA(13:0/22:0)	34272.00	69436.00	81019.00	69515.00	8392.00	6058.00	48815.00	87672.00	52051.00	142918.00	3675.00	9565.00	28778.00	42413.00	6312.00	1.00	1.00	32761.00	93589.00	95930.00	11336.00	36215.00	23301.00	48616.00	35324.00	56904.00	86488.00	128129.00	30975.00	170956.00
PC(18:1(9E)/0:0)[U]	68222.00	43007.00	178312.00	47436.00	20251.00	18674.00	31298.00	82703.00	42023.00	91240.00	60317.00	38997.00	73432.00	46145.00	28233.00	39486.00	13437.00	39676.00	61719.00	46720.00	53095.00	44737.00	63015.00	49909.00	43451.00	75606.00	90140.00	51528.00	27702.00	137676.00
MG(0:0/20:3(11Z,14Z,17Z)/0:0)	69339.00	174297.00	156524.00	10849.00	10345.00	24046.00	34287.00	76954.00	11278.00	125083.00	98000.00	23402.00	39539.00	114021.00	14344.00	19685.00	44714.00	42236.00	27491.00	51251.00	38526.00	36357.00	16141.00	238369.00	42379.00	19413.00	28342.00	45233.00	1.00	119404.00
para-Phenylenediamine	161048.00	157171.00	176182.00	174810.00	164776.00	170600.00	171933.00	166033.00	167054.00	163851.00	163050.00	161345.00	151789.00	150088.00	160686.00	160389.00	154741.00	163226.00	160242.00	160484.00	167158.00	166961.00	159878.00	144154.00	173419.00	161161.00	157980.00	158438.00	163247.00	164192.00
C11 H20 N7	102510.00	79389.00	92260.00	141995.00	85838.00	167677.00	129397.00	112385.00	62981.00	118043.00	105642.00	129263.00	162289.00	164798.00	125265.00	152905.00	138741.00	168478.00	119005.00	203921.00	125825.00	231265.00	120178.00	96420.00	158907.00	196831.00	88559.00	116274.00	132294.00	129176.00
Bleekerine	120089.00	123120.00	126363.00	122113.00	136110.00	127763.00	145890.00	135099.00	113535.00	147115.00	143448.00	111371.00	107877.00	118715.00	119998.00	117747.00	116823.00	101778.00	111906.00	129221.00	118618.00	125032.00	115974.00	141944.00	114355.00	118406.00	110927.00	104219.00	115545.00	99501.00
?-D-Glucose Esi+0.8820001	347130.00	123100.00	189872.00	179981.00	323010.00	351443.00	184036.00	247054.00	349847.00	240980.00	208469.00	190166.00	173219.00	193716.00	208360.00	1.00	159259.00	134340.00	233357.00	216146.00	312337.00	211583.00	123467.00	151164.00	211961.00	325375.00	321284.00	64342.00	412767.00	249954.00
17,20-dimethyl Prostaglandin F1?	208032.00	19534.00	510515.00	8480.00	5196.00	5789.00	7943.00	10467.00	9208.00	8129.00	8065.00	9467.00	216712.00	6530.00	7142.00	73189.00	15483.00	6557.00	5603.00	6483.00	32773.00	7894.00	98599.00	8742.00	8207.00	8558.00	178212.00	6128.00	6323.00	9697.00
5-Hydroxy-2-acetamidofluorene	46386.00	60565.00	152843.00	62594.00	14064.00	59754.00	37798.00	51664.00	28815.00	54199.00	41277.00	49678.00	61670.00	27763.00	18772.00	48105.00	12679.00	19758.00	31590.00	109619.00	75919.00	39824.00	13216.00	50498.00	86924.00	37433.00	21218.00	42747.00	30975.00	149440.00
PE(18:2(9Z,12Z)/0:0)	33579.00	21063.00	138125.00	27385.00	22563.00	9391.00	15800.00	74878.00	31368.00	85166.00	21632.00	24887.00	26119.00	23334.00	8821.00	22408.00	1.00	20822.00	21869.00	28448.00	30653.00	19511.00	20896.00	24368.00	24221.00	23651.00	26994.00	19124.00	18861.00	58327.00
Camptothecin	154246.00	161638.00	160844.00	139713.00	139760.00	132757.00	122209.00	124148.00	119467.00	124625.00	150518.00	146785.00	126684.00	123821.00	119282.00	99675.00	99071.00	117953.00	114384.00	100219.00	152584.00	156724.00	141376.00	166072.00	139154.00	117774.00	117890.00	110200.00	107131.00	109351.00
Diisobutyl phthalate	133982.00	134245.00	134911.00	160219.00	156022.00	112453.00	117073.00	121228.00	116950.00	126867.00	197269.00	142664.00	122434.00	122145.00	117573.00	117163.00	113555.00	128278.00	117609.00	135398.00	139723.00	145415.00	195921.00	114197.00	139586.00	117441.00	116902.00	124543.00	129040.00	123658.00
Azaserine	139453.00	111736.00	129110.00	152997.00	105421.00	113870.00	113039.00	135384.00	110896.00	99116.00	114838.00	164376.00	127596.00	129628.00	101834.00	58364.00	128871.00	131530.00	128814.00	108461.00	119342.00	133021.00	91041.00	97377.00	145290.00	106132.00	96397.00	91079.00	97188.00	96840.00
Fenapanil	42718.00	17895.00	41260.00	59970.00	51695.00	22461.00	31887.00	16713.00	19211.00	69948.00	174871.00	6238.00	50027.00	34283.00	13459.00	62567.00	38745.00	34044.00	30125.00	35278.00	20693.00	24064.00	1.00	49561.00	42953.00	15307.00	25279.00	27384.00	3556.00	120039.00
Zopiclone	157483.00	166750.00	145804.00	162783.00	156897.00	142815.00	126949.00	129288.00	130205.00	125500.00	153077.00	173468.00	136406.00	127034.00	140822.00	117012.00	123864.00	127010.00	117798.00	119750.00	167127.00	161966.00	150768.00	164755.00	145471.00	124652.00	115122.00	130094.00	107201.00	121611.00
C15 H27 N O4	12790.00	41249.00	35775.00	23617.00	8676.00	37480.00	35196.00	25819.00	32637.00	57573.00	62003.00	145428.00	24625.00	25658.00	18051.00	21358.00	19097.00	13314.00	59888.00	14698.00	5169.00	42479.00	22564.00	59669.00	11972.00	31269.00	7188.00	44397.00	12399.00	40625.00
C4 H5 N O	101176.00	151036.00	166104.00	93031.00	88650.00	77162.00	126690.00	124904.00	119035.00	118539.00	101782.00	123860.00	136104.00	64262.00	92035.00	1.00	87588.00	93515.00	100025.00	132270.00	161884.00	75438.00	42975.00	94689.00	124950.00	61616.00	98847.00	123850.00	59736.00	119146.00
Netilmicin	125698.00	93728.00	112545.00	115311.00	115603.00	111252.00	113102.00	139044.00	105687.00	103802.00	115179.00	115693.00	109298.00	102919.00	111348.00	108069.00	107485.00	107953.00	105862.00	104404.00	127991.00	107937.00	112302.00	96941.00	112382.00	109091.00	106206.00	111696.00	105993.00	128797.00
Anandamide (20:2, n-6)	67464.00	20891.00	130227.00	11065.00	22307.00	6942.00	7021.00	100947.00	5239.00	50446.00	13188.00	64231.00	71913.00	23497.00	3359.00	8908.00	12310.00	103851.00	13194.00	12545.00	18733.00	19646.00	17701.00	4394.00	8919.00	11047.00	53488.00	11045.00	12526.00	143339.00
24-ethyl-5alpha-cholest-25-en-3alpha,12alpha,16alpha-triol	43850.00	53189.00	38468.00	79069.00	28761.00	26335.00	77312.00	157655.00	33400.00	74266.00	82794.00	31282.00	25910.00	85968.00	25789.00	5478.00	1.00	22301.00	77045.00	46101.00	25670.00	74346.00	32094.00	98608.00	75466.00	91942.00	33907.00	50549.00	74064.00	156415.00
Tetradecanoylcarnitine	58685.00	131858.00	69306.00	4940.00	8390.00	16415.00	27498.00	28322.00	6869.00	68195.00	48620.00	11056.00	29995.00	64229.00	11896.00	13005.00	44085.00	45454.00	19721.00	29456.00	20697.00	29701.00	11798.00	104025.00	19992.00	12681.00	20967.00	25227.00	4348.00	77392.00
Citrulline	20475.00	4642.00	19928.00	25005.00	155587.00	15468.00	9786.00	14774.00	8855.00	34935.00	49437.00	15953.00	30121.00	10284.00	5902.00	5451.00	13452.00	26187.00	20654.00	9108.00	14284.00	14394.00	1.00	19850.00	18616.00	10363.00	18783.00	4657.00	5044.00	22041.00
Pentanoylcarnitine	38764.00	3712.00	10246.00	24146.00	18839.00	11869.00	20811.00	5678.00	9689.00	66428.00	10875.00	5812.00	45388.00	11309.00	36470.00	6055.00	5860.00	44029.00	11450.00	16264.00	7673.00	20914.00	3630.00	9672.00	7107.00	10647.00	33576.00	4191.00	4009.00	148108.00
Pentanoylcarnitine Esi+4.625	44735.00	20830.00	57531.00	34262.00	42267.00	25103.00	31194.00	10352.00	32816.00	100989.00	77741.00	25774.00	68040.00	23394.00	65819.00	10583.00	22365.00	43902.00	36525.00	25730.00	31917.00	16713.00	9669.00	65307.00	15886.00	54583.00	38741.00	14551.00	10958.00	142343.00
Glu-P-2	171036.00	154409.00	168050.00	163013.00	165219.00	161957.00	154681.00	159683.00	162357.00	157777.00	162586.00	162819.00	168401.00	161147.00	162469.00	162991.00	161947.00	159674.00	160240.00	153294.00	161551.00	160176.00	164132.00	156125.00	157438.00	162264.00	162092.00	161438.00	157200.00	162447.00
PS(20:2(11Z,14Z)/16:0)	402261.00	100946.00	845612.00	41850.00	6978.00	1.00	38772.00	44558.00	106661.00	146835.00	20780.00	3431.00	273713.00	50201.00	37616.00	79616.00	5817.00	7202.00	12354.00	14712.00	65386.00	54682.00	209057.00	6461.00	3147.00	6603.00	255053.00	66192.00	9661.00	65339.00
2(3H)-Furanone	72466.00	41381.00	78727.00	19922.00	39279.00	52567.00	81931.00	68081.00	33158.00	94815.00	154840.00	33950.00	51759.00	43022.00	50461.00	20718.00	45487.00	55149.00	55325.00	59013.00	52165.00	49662.00	35687.00	81095.00	60450.00	46916.00	64614.00	39084.00	25948.00	95726.00
S-(N-Hydroxy-N-methylcarbamoyl)glutathione	109669.00	115179.00	118294.00	98898.00	94357.00	93028.00	75508.00	76986.00	75986.00	76773.00	111793.00	127299.00	84272.00	83260.00	78791.00	76046.00	72196.00	78873.00	55551.00	58461.00	118865.00	104402.00	99375.00	101035.00	91753.00	77645.00	73484.00	71677.00	67313.00	63436.00
C16 Sphingosine-1-phosphate Esi+1.1850001	98531.00	88148.00	134588.00	87599.00	95081.00	43862.00	130494.00	77211.00	71491.00	134816.00	156681.00	88845.00	95031.00	110906.00	96508.00	77302.00	68012.00	93075.00	59418.00	100957.00	268662.00	52378.00	27107.00	124052.00	130666.00	65216.00	103421.00	58624.00	29613.00	181808.00
7Z-hexadecen-1-ol	159273.00	162490.00	167307.00	168626.00	159473.00	158916.00	162960.00	159491.00	164947.00	167015.00	165743.00	173645.00	162718.00	165193.00	155530.00	158377.00	159210.00	162586.00	157957.00	158694.00	164111.00	159767.00	161845.00	163196.00	166077.00	166776.00	161696.00	162901.00	167896.00	180474.00
C13 H25 N O3	57589.00	38243.00	52477.00	53612.00	53278.00	79820.00	45443.00	137863.00	24851.00	53697.00	42442.00	80126.00	65239.00	45203.00	28143.00	41085.00	70617.00	104920.00	35558.00	102171.00	41429.00	75719.00	49200.00	19859.00	46235.00	58853.00	84571.00	28263.00	67993.00	131143.00
C8 H2 N O6 S	130048.00	123065.00	122994.00	124145.00	135897.00	141583.00	130314.00	134195.00	123493.00	123122.00	141736.00	132375.00	136641.00	122513.00	138375.00	35208.00	146464.00	127514.00	131091.00	133656.00	140063.00	134671.00	156496.00	120937.00	137508.00	142725.00	123029.00	135659.00	141919.00	125904.00
PS(22:2(13Z,16Z)/16:0)	74549.00	22859.00	166323.00	4004.00	1.00	1.00	6685.00	14326.00	14094.00	18895.00	1.00	1.00	39448.00	12163.00	1.00	11565.00	1.00	1.00	1.00	1.00	12793.00	11464.00	47636.00	1.00	1.00	1.00	31457.00	9801.00	1.00	9126.00
Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl-	81288.00	103494.00	86696.00	100706.00	70113.00	64340.00	93705.00	102773.00	95837.00	116794.00	60981.00	74793.00	78249.00	89763.00	65758.00	49061.00	33461.00	84806.00	99026.00	103248.00	75190.00	88475.00	81198.00	93324.00	91990.00	95985.00	89413.00	111521.00	86032.00	120520.00
Gabapentin Esi+5.5520015	81003.00	38112.00	79407.00	154216.00	34752.00	173143.00	291753.00	179934.00	25691.00	127383.00	81381.00	227793.00	297260.00	167450.00	134720.00	408995.00	449686.00	258388.00	133249.00	564827.00	304294.00	193843.00	227020.00	184711.00	151173.00	615413.00	68621.00	122200.00	190493.00	143171.00
C12 H23 N O2	167604.00	72154.00	179403.00	86672.00	136218.00	69459.00	92671.00	348418.00	42957.00	164456.00	159120.00	314481.00	144709.00	110237.00	25843.00	28722.00	44930.00	488333.00	116897.00	126468.00	90691.00	126229.00	41224.00	43432.00	102724.00	103798.00	182689.00	53289.00	74824.00	444356.00
24-vinyloxy-cholest-5,23Z-dien-3beta-ol	11457.00	8310.00	31510.00	3905.00	13355.00	1.00	5696.00	70182.00	1.00	19377.00	6180.00	29893.00	14131.00	9692.00	1.00	1.00	3114.00	107809.00	7444.00	20637.00	5537.00	8967.00	1.00	1.00	1.00	4091.00	42377.00	3189.00	3902.00	150490.00
2-Amino-3-methyl-1-butanol Esi+11.138	25585.00	31013.00	21894.00	20685.00	20958.00	20785.00	27449.00	26930.00	20686.00	44700.00	152592.00	33038.00	25009.00	24427.00	31236.00	21296.00	16163.00	72643.00	26555.00	18796.00	25378.00	38918.00	23576.00	35928.00	82125.00	44978.00	16867.00	32604.00	16594.00	35302.00
Otonecine Esi+1.257	372906.00	459364.00	723295.00	458530.00	398725.00	229607.00	245328.00	399942.00	370465.00	356136.00	262788.00	428198.00	422526.00	364648.00	381738.00	408615.00	375637.00	373383.00	584094.00	458760.00	321028.00	370399.00	121724.00	496299.00	318360.00	541001.00	336597.00	349745.00	170530.00	681456.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate Esi+10.942996	62176.00	87313.00	62605.00	60903.00	110175.00	70201.00	74913.00	48444.00	31943.00	44567.00	106293.00	76464.00	40781.00	50445.00	40710.00	39015.00	34066.00	38752.00	23547.00	39329.00	60921.00	86980.00	39225.00	83830.00	54628.00	30067.00	46552.00	27182.00	30738.00	16537.00
Di(2-ethylhexyl) adipate	121741.00	114197.00	124326.00	119206.00	121361.00	115696.00	118892.00	133805.00	121249.00	116480.00	118673.00	121182.00	124477.00	110018.00	114661.00	119411.00	117835.00	114080.00	101222.00	106866.00	128169.00	115471.00	114408.00	125114.00	109507.00	121124.00	118073.00	117292.00	108807.00	132731.00
C6 H5 N2 O4 Esi+1.032	456365.00	492791.00	604597.00	535792.00	455900.00	302363.00	498536.00	478663.00	393459.00	482233.00	515844.00	460199.00	451991.00	373598.00	444749.00	306499.00	314184.00	461130.00	466932.00	472622.00	497390.00	452088.00	188180.00	443293.00	436583.00	390797.00	434235.00	414664.00	240304.00	505982.00
3-Aminobenzamide	72024.00	107679.00	90193.00	60796.00	23450.00	68151.00	57304.00	134978.00	33909.00	17026.00	36922.00	49675.00	10965.00	81711.00	51951.00	1.00	114325.00	68624.00	25126.00	73463.00	95364.00	78978.00	64716.00	35505.00	64174.00	37801.00	54163.00	43548.00	20743.00	155506.00
C15 H29 N O2	48094.00	19423.00	46561.00	29940.00	30562.00	27193.00	25349.00	95886.00	5345.00	44953.00	33040.00	94310.00	39316.00	32559.00	3071.00	3311.00	13528.00	116984.00	29299.00	36386.00	21253.00	38741.00	8207.00	6865.00	24306.00	30743.00	38952.00	6475.00	20987.00	158165.00
N-Oleoyl-L-Serine	87190.00	106496.00	56211.00	6257.00	13867.00	33514.00	29443.00	47695.00	15714.00	56226.00	82554.00	23682.00	49667.00	59018.00	14146.00	29359.00	55973.00	55468.00	27701.00	38984.00	14826.00	45027.00	13526.00	117751.00	29174.00	11244.00	21737.00	20341.00	3376.00	69155.00
1,4-Diamino-2-nitrobenzene Esi+1.1839995	242627.00	159732.00	170173.00	127865.00	221241.00	97566.00	86141.00	134169.00	193615.00	138139.00	400878.00	288018.00	388717.00	131575.00	251611.00	280370.00	264442.00	157938.00	132544.00	200023.00	1.00	311235.00	87072.00	196261.00	305934.00	216275.00	161255.00	142861.00	52807.00	140368.00
Isobutyryl carnitine Esi+3.8410017	32011.00	1.00	14794.00	34027.00	27160.00	13867.00	15365.00	7650.00	8081.00	114181.00	140437.00	1.00	38496.00	10931.00	43681.00	1.00	4284.00	59757.00	7859.00	21248.00	4777.00	12152.00	5601.00	9810.00	36814.00	22328.00	60214.00	3308.00	4608.00	119583.00
C5 H N O3 S	66110.00	38513.00	22076.00	45282.00	74183.00	83515.00	43861.00	73127.00	48245.00	104335.00	79539.00	41411.00	61988.00	43850.00	83781.00	46539.00	105225.00	71948.00	111655.00	39444.00	80070.00	64010.00	49194.00	109925.00	36818.00	103586.00	62338.00	119012.00	86627.00	105815.00
3-Dehydrocarnitine	26872.00	17648.00	40067.00	85826.00	33855.00	18134.00	20026.00	27486.00	18097.00	33471.00	68097.00	145798.00	34773.00	10192.00	17941.00	1.00	16858.00	17696.00	79409.00	40801.00	12831.00	23760.00	11275.00	37679.00	67788.00	16140.00	29695.00	33727.00	8915.00	82410.00
Nandrolone phenpropionate Esi+14.071998	122377.00	118386.00	114314.00	118998.00	99211.00	102769.00	106938.00	141317.00	112906.00	134437.00	115883.00	112627.00	110599.00	121705.00	103389.00	104799.00	102253.00	118517.00	107632.00	92450.00	107025.00	112227.00	117900.00	111387.00	110802.00	108601.00	114047.00	112945.00	103200.00	122874.00
Sulfuric acid	34555.00	48444.00	77771.00	54786.00	50692.00	72721.00	44638.00	70035.00	42202.00	52521.00	80125.00	73672.00	131697.00	54682.00	77551.00	82498.00	76821.00	50328.00	73692.00	35190.00	57085.00	53830.00	29851.00	70588.00	49504.00	78416.00	54429.00	60601.00	64843.00	48382.00
C21 H43 N8 O7	93237.00	68361.00	82710.00	82422.00	82129.00	82509.00	83481.00	108049.00	79750.00	81612.00	86207.00	87314.00	83624.00	75988.00	83493.00	79812.00	79207.00	77737.00	75508.00	79560.00	92466.00	80965.00	81997.00	72357.00	82293.00	78488.00	74850.00	77888.00	75936.00	108576.00
Cys Ala Asp	52390.00	75884.00	62540.00	115533.00	87489.00	20313.00	45574.00	118149.00	42811.00	74050.00	36437.00	52334.00	13382.00	25107.00	32290.00	12049.00	4685.00	49418.00	87561.00	54686.00	72593.00	25154.00	8429.00	98863.00	35762.00	31853.00	49822.00	30468.00	7117.00	45691.00
C19 H38 N2 O3	107522.00	102497.00	104987.00	107057.00	102157.00	98885.00	102096.00	102725.00	97401.00	97773.00	93119.00	105418.00	101201.00	98259.00	97362.00	101820.00	113343.00	101124.00	96318.00	106503.00	106461.00	98156.00	103651.00	98793.00	104654.00	111171.00	84885.00	98158.00	100235.00	103060.00
Ile Cys Pro	90288.00	107664.00	91395.00	92764.00	91559.00	91059.00	90301.00	91011.00	100946.00	91561.00	92370.00	88757.00	89334.00	93724.00	98544.00	98839.00	105563.00	81341.00	91712.00	93162.00	101287.00	98705.00	98744.00	108237.00	95970.00	92511.00	81648.00	90146.00	95217.00	61953.00
Athamantin	112947.00	70953.00	116812.00	31650.00	147821.00	111782.00	120970.00	140463.00	63933.00	127318.00	114088.00	29641.00	115546.00	46173.00	70543.00	196561.00	96476.00	43652.00	24452.00	66839.00	59629.00	149468.00	97677.00	90712.00	40302.00	27524.00	129628.00	60053.00	75945.00	25207.00
C26 H48 N2 O3	32605.00	5554.00	58125.00	5038.00	19576.00	19187.00	21471.00	99808.00	1.00	64591.00	1.00	57482.00	47262.00	58218.00	1.00	1.00	6599.00	22295.00	19987.00	17129.00	19202.00	17202.00	3046.00	5425.00	1.00	13721.00	28482.00	1.00	10871.00	121632.00
Sulfaphenazole	89069.00	98496.00	81761.00	92629.00	91559.00	82889.00	78313.00	80214.00	83894.00	75429.00	89056.00	101095.00	78479.00	75026.00	83211.00	72780.00	80664.00	73104.00	73538.00	73422.00	98054.00	93451.00	93157.00	92026.00	88225.00	73419.00	63371.00	75484.00	66618.00	72757.00
allopurinol	74497.00	89859.00	38508.00	65619.00	50759.00	165143.00	35698.00	190648.00	196217.00	34310.00	48832.00	45783.00	1.00	47759.00	66915.00	41866.00	1.00	25102.00	45150.00	61842.00	57758.00	127994.00	72968.00	45042.00	63807.00	135081.00	83339.00	1.00	79957.00	94469.00
N-(3S-hydroxydecanoyl)-L-serine	21738.00	15508.00	52338.00	11045.00	17260.00	14263.00	17368.00	13844.00	20185.00	22623.00	112418.00	24023.00	61934.00	8502.00	27880.00	10190.00	22446.00	8797.00	49732.00	10566.00	10016.00	10259.00	5437.00	62024.00	11090.00	15380.00	8574.00	17049.00	8967.00	32688.00
2'-Hydroxy-2,4',6'-trimethoxychalcone	92014.00	84832.00	90283.00	89715.00	85947.00	84283.00	86079.00	88470.00	88066.00	87850.00	85864.00	93417.00	96216.00	87391.00	96162.00	89438.00	88872.00	85303.00	81613.00	88048.00	86794.00	83500.00	83972.00	108704.00	89772.00	113279.00	75845.00	86223.00	86698.00	88134.00
Anandamide (20:l, n-9)	21557.00	9880.00	38167.00	8643.00	9427.00	4440.00	8648.00	54646.00	1.00	25216.00	5700.00	30105.00	19173.00	11101.00	1.00	3431.00	9634.00	50919.00	7530.00	11379.00	7622.00	9429.00	5226.00	5202.00	6854.00	5800.00	24524.00	5078.00	8188.00	102149.00
Famotidine	73366.00	116955.00	74848.00	87541.00	70781.00	37545.00	66445.00	71642.00	46159.00	56199.00	75138.00	82404.00	40364.00	90358.00	32100.00	1.00	18135.00	76203.00	33768.00	31779.00	62881.00	48119.00	16938.00	75362.00	37817.00	84843.00	73449.00	11745.00	14509.00	80907.00
2'-Hydroxy-2,4',6'-trimethoxychalcone Esi+6.057999	35230.00	47405.00	42106.00	55762.00	104534.00	73611.00	103777.00	104612.00	58327.00	140186.00	35974.00	38716.00	50805.00	57983.00	81759.00	84716.00	80435.00	77823.00	70238.00	106295.00	30304.00	67654.00	42170.00	85900.00	62634.00	58620.00	98865.00	80677.00	91784.00	56163.00
4E,9Z-Tetradecadienal	8037.00	7622.00	7432.00	9525.00	5561.00	30663.00	17413.00	13646.00	5669.00	10633.00	8767.00	13977.00	19375.00	14292.00	10483.00	11390.00	20075.00	27192.00	10131.00	16115.00	19614.00	15336.00	11787.00	113496.00	12976.00	90752.00	6056.00	9757.00	10184.00	9163.00
D-threo-3-Methylmalate	55375.00	55845.00	54987.00	57408.00	53952.00	48909.00	42016.00	46848.00	42767.00	43562.00	52791.00	62522.00	48041.00	40443.00	45591.00	42479.00	42622.00	42713.00	40488.00	43818.00	57444.00	59718.00	54261.00	53949.00	50310.00	42903.00	41329.00	45229.00	37441.00	38991.00
Strigolactone ABC-rings	114806.00	111487.00	116043.00	112609.00	103749.00	110632.00	105381.00	112416.00	103459.00	99698.00	105468.00	109319.00	102905.00	112479.00	106848.00	105419.00	99102.00	107618.00	100940.00	97563.00	109848.00	116720.00	108712.00	110621.00	108716.00	108308.00	88785.00	110653.00	108941.00	102025.00
DG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	11305.00	25424.00	31779.00	23676.00	1.00	3714.00	16075.00	36792.00	17539.00	82046.00	4536.00	4172.00	9154.00	12754.00	1.00	1.00	1.00	11393.00	42638.00	42196.00	3866.00	11778.00	7428.00	16444.00	10623.00	19526.00	40563.00	65525.00	10114.00	114675.00
O-hexanoyl-R-carnitine	194843.00	114540.00	68752.00	18095.00	34174.00	81871.00	80301.00	9918.00	50183.00	58660.00	81392.00	41901.00	67094.00	197624.00	33915.00	171705.00	51012.00	237221.00	81193.00	107299.00	6745.00	98344.00	28819.00	66735.00	17629.00	26232.00	17242.00	49257.00	4920.00	87527.00
Idebenone Metabolite (Benzenehexanoic acid, 2,5-dihydroxy-3,4-dimethoxy-6-methyl-) Esi+6.416	39568.00	47897.00	45628.00	54951.00	115811.00	72953.00	107715.00	92464.00	52872.00	124909.00	43040.00	35383.00	45587.00	55353.00	71315.00	72819.00	68337.00	68608.00	59339.00	97120.00	33185.00	66758.00	35706.00	87938.00	61674.00	49458.00	92877.00	63073.00	77020.00	41270.00
C14 H26 O10	6829.00	5750.00	9011.00	6733.00	6692.00	7129.00	8021.00	105669.00	8196.00	7892.00	10347.00	7511.00	7437.00	5956.00	6503.00	5751.00	5907.00	5525.00	6464.00	5275.00	21888.00	6266.00	7634.00	4440.00	6362.00	7200.00	7048.00	5135.00	6272.00	8331.00
18-hydroxy-9R,10S-epoxy-stearic acid Esi+10.363004	32130.00	28609.00	10053.00	26011.00	29266.00	44811.00	36582.00	30618.00	19232.00	19541.00	41020.00	23905.00	28756.00	27205.00	18192.00	28769.00	52854.00	20693.00	64119.00	44487.00	35134.00	39299.00	28822.00	30439.00	19237.00	94513.00	23057.00	12579.00	22856.00	21316.00
C24 H18 N12 O2 S	100374.00	109747.00	94130.00	89354.00	87624.00	81960.00	69673.00	69825.00	66042.00	67691.00	98678.00	106786.00	74095.00	70942.00	70409.00	63113.00	63086.00	66813.00	59234.00	64160.00	99991.00	91621.00	86815.00	96161.00	83273.00	69769.00	62472.00	67492.00	58267.00	57425.00
3E-Dodecenyl acetate	13503.00	24777.00	20578.00	19508.00	14194.00	69706.00	41536.00	19533.00	19643.00	20717.00	11472.00	25168.00	54745.00	35356.00	23219.00	21388.00	25459.00	75079.00	25621.00	33948.00	20580.00	25038.00	28189.00	107715.00	52525.00	105289.00	15043.00	57212.00	17544.00	22109.00
Deoxymiroestrol	175947.00	169171.00	171613.00	208768.00	177232.00	87184.00	176484.00	191649.00	180522.00	178278.00	174363.00	233534.00	191305.00	169282.00	183803.00	170985.00	89438.00	174825.00	165257.00	183662.00	98568.00	176790.00	86843.00	180046.00	179645.00	191169.00	169303.00	175616.00	174460.00	84948.00
C28 H43 N5 O10	47195.00	36630.00	115236.00	31119.00	26920.00	13031.00	27286.00	63655.00	33794.00	89730.00	42773.00	32131.00	54630.00	33722.00	33008.00	37428.00	11392.00	35010.00	41653.00	39648.00	31345.00	29275.00	41034.00	33554.00	34073.00	36861.00	43524.00	32831.00	27910.00	67553.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate Esi+9.686998	55756.00	1.00	1.00	1.00	100921.00	1.00	95199.00	73711.00	57784.00	98167.00	1.00	1.00	56918.00	45290.00	67095.00	60060.00	94336.00	57685.00	55527.00	77783.00	1.00	1.00	50516.00	1.00	44739.00	45437.00	76994.00	59517.00	69334.00	47174.00
Neoilludin A Esi+6.056	143596.00	207340.00	170068.00	226112.00	502416.00	339650.00	518986.00	477064.00	269121.00	655668.00	148985.00	154424.00	211261.00	240598.00	347076.00	357862.00	359718.00	352951.00	312440.00	503813.00	116574.00	287860.00	162572.00	365664.00	284135.00	240354.00	461444.00	343118.00	406700.00	228482.00
C31 H58 N9 S	116820.00	112448.00	136769.00	119303.00	108743.00	102833.00	117829.00	109804.00	128094.00	108042.00	128812.00	114852.00	111045.00	127257.00	110765.00	116770.00	106768.00	115923.00	73655.00	130132.00	115468.00	120787.00	121967.00	120286.00	109859.00	99761.00	123944.00	110709.00	109572.00	118929.00
4-Heptyloxyphenol Esi+7.779001	44363.00	29360.00	42956.00	37266.00	37929.00	64425.00	35908.00	102641.00	19223.00	40456.00	31825.00	58436.00	48625.00	34866.00	22142.00	32751.00	51397.00	79644.00	26442.00	74799.00	30311.00	55699.00	33491.00	16444.00	33337.00	42835.00	64097.00	21290.00	48632.00	97622.00
Caffeine	21465.00	1.00	1.00	109103.00	21572.00	36770.00	4691.00	3462.00	44041.00	6457.00	1.00	6812.00	6824.00	5991.00	1.00	1.00	1.00	23881.00	1.00	1.00	4093.00	1.00	6686.00	8736.00	1.00	3365.00	5964.00	1.00	1.00	35376.00
2-oxo-docosanoic acid	9198.00	9823.00	11113.00	38301.00	10175.00	9067.00	11489.00	10617.00	9582.00	16319.00	10202.00	25150.00	9247.00	9102.00	8258.00	7608.00	7097.00	8953.00	7577.00	11200.00	10755.00	9417.00	8687.00	16324.00	9429.00	97192.00	9911.00	11156.00	9297.00	10544.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate Esi+10.531003 :3	1074778.00	1583130.00	1181821.00	1065678.00	1986547.00	1262794.00	1370330.00	1048625.00	675459.00	1087371.00	2005855.00	1431446.00	786727.00	879603.00	787762.00	813946.00	633594.00	734804.00	551785.00	836484.00	980065.00	1550226.00	725791.00	1471485.00	1004193.00	608718.00	924558.00	596394.00	684998.00	397464.00
5S-HETE di-endoperoxide	42237.00	45756.00	43853.00	45964.00	37204.00	39525.00	49370.00	38592.00	34738.00	38729.00	42202.00	47615.00	40600.00	40915.00	35002.00	67918.00	55057.00	42456.00	36500.00	95806.00	50214.00	40805.00	50081.00	43839.00	38477.00	60267.00	38024.00	51536.00	42223.00	39948.00
2-amino-4-hydroxy-3-methylpentanoic acid	21424.00	18385.00	16501.00	52307.00	11855.00	74044.00	8425.00	18598.00	6708.00	28219.00	26237.00	11333.00	30230.00	39979.00	27579.00	15178.00	15056.00	25863.00	22207.00	110293.00	7908.00	48679.00	32050.00	5101.00	95233.00	25103.00	15863.00	11823.00	20746.00	6823.00
13,14-dihydro-15-keto-PGF2?-d4	51995.00	50047.00	52685.00	40804.00	40210.00	15125.00	27225.00	78860.00	17633.00	65256.00	33916.00	73557.00	49542.00	53225.00	7587.00	4424.00	13830.00	85097.00	44507.00	34473.00	35712.00	37630.00	19990.00	23432.00	38472.00	35074.00	49358.00	36006.00	16849.00	126010.00
3-Methyl-L-histidine	59523.00	44905.00	52244.00	119605.00	74091.00	54808.00	66988.00	65968.00	75502.00	80760.00	42431.00	97319.00	70216.00	42224.00	38338.00	1.00	35248.00	44585.00	51910.00	80899.00	49558.00	37662.00	21286.00	50884.00	48563.00	43150.00	62980.00	63215.00	29518.00	71746.00
trans-3-Aminocyclopentane-1-carboxylic acid	102175.00	77350.00	82534.00	121911.00	55776.00	53624.00	65248.00	95480.00	70325.00	70081.00	55537.00	112591.00	77785.00	88241.00	51371.00	38771.00	56990.00	81442.00	74116.00	59029.00	85752.00	79160.00	20162.00	73018.00	79948.00	58503.00	52656.00	40954.00	33906.00	63886.00
C9 H4 N O7 S	92914.00	88242.00	81873.00	172080.00	140516.00	65445.00	127628.00	137654.00	119913.00	98348.00	39563.00	64713.00	104131.00	67801.00	71235.00	54979.00	75284.00	87940.00	150401.00	88932.00	29468.00	56265.00	9560.00	94166.00	81151.00	109580.00	159068.00	23783.00	39912.00	143127.00
2-(3'-Methylthio)propylmalic acid	61998.00	62115.00	57600.00	55337.00	58604.00	51808.00	45000.00	49232.00	47516.00	44311.00	59322.00	65035.00	50719.00	46855.00	49381.00	46113.00	43801.00	41460.00	45316.00	41622.00	65715.00	58193.00	52203.00	60567.00	54071.00	42544.00	41342.00	45490.00	41886.00	44113.00
4E,9Z-Tetradecadienal Esi+10.166995	10519.00	17232.00	7085.00	7464.00	9736.00	57747.00	29817.00	11307.00	11837.00	11400.00	6755.00	16349.00	40643.00	22871.00	13148.00	12440.00	16319.00	54996.00	15486.00	20952.00	7652.00	8655.00	10034.00	95839.00	34618.00	90833.00	10139.00	35727.00	9832.00	13488.00
C14 H33 N6 O10	73115.00	79343.00	94159.00	82523.00	76092.00	57313.00	62721.00	79952.00	63004.00	85053.00	78869.00	77647.00	76768.00	55572.00	68833.00	1.00	46594.00	65704.00	79956.00	66863.00	72375.00	56305.00	15124.00	81968.00	69387.00	67667.00	70867.00	73008.00	21639.00	83364.00
C23 H47 N8 O8	82110.00	56484.00	71602.00	70436.00	70759.00	69494.00	67729.00	97066.00	67322.00	65263.00	69074.00	71726.00	68663.00	62188.00	68723.00	64817.00	68049.00	63107.00	63730.00	67162.00	74588.00	65351.00	69185.00	59219.00	68582.00	68348.00	66211.00	63497.00	64868.00	109472.00
PA(17:0/22:0) Esi+13.743996	160898.00	160316.00	147255.00	153807.00	156362.00	155277.00	143039.00	137022.00	142578.00	134956.00	147954.00	166969.00	148608.00	150873.00	142556.00	122712.00	87626.00	140677.00	122862.00	119078.00	166100.00	159198.00	159929.00	152975.00	154845.00	146345.00	128445.00	132475.00	136511.00	127817.00
?-D-Glucose Esi+0.86700016	357356.00	128046.00	200187.00	187137.00	333940.00	358032.00	192798.00	251248.00	357233.00	245721.00	218782.00	194324.00	183915.00	195679.00	213604.00	1.00	169253.00	145914.00	240533.00	224711.00	318229.00	220119.00	129741.00	160219.00	221981.00	330183.00	333256.00	70647.00	416835.00	258646.00
MID42467:11-(4-acetoxymethylphenyl)-1?,25-dihydroxy-9,11-didehydrovitamin D3 / 11-(4-acetoxymethylph	115775.00	121347.00	126290.00	115023.00	108704.00	124140.00	109878.00	120286.00	104888.00	121707.00	122652.00	119558.00	120686.00	123776.00	108216.00	107939.00	110859.00	118559.00	95488.00	110528.00	120952.00	126602.00	125580.00	117782.00	122329.00	109273.00	108339.00	114982.00	106970.00	117843.00
4E,9Z-Tetradecadienal Esi+10.354003	8692.00	7176.00	7295.00	8528.00	5913.00	27792.00	15655.00	11020.00	6066.00	10960.00	9376.00	14217.00	16484.00	11870.00	10741.00	12179.00	16295.00	30366.00	8737.00	14782.00	16756.00	15374.00	11510.00	92228.00	11065.00	73889.00	5539.00	10571.00	9977.00	11681.00
Deoxymiroestrol Esi+11.652005	176691.00	180034.00	182707.00	201740.00	177684.00	63265.00	176759.00	191497.00	179149.00	183118.00	174011.00	231881.00	191305.00	162097.00	176843.00	170985.00	76376.00	174825.00	165035.00	175652.00	173588.00	178238.00	78503.00	73808.00	179277.00	179753.00	159103.00	169338.00	167529.00	62950.00
Hypoxanthine Esi+2.8679986	35682.00	54887.00	17828.00	35000.00	32529.00	102685.00	21633.00	114356.00	103920.00	17945.00	30819.00	23360.00	8125.00	23756.00	41959.00	22702.00	11746.00	16427.00	27248.00	35661.00	31270.00	73559.00	40385.00	20500.00	33881.00	77948.00	47968.00	1.00	39133.00	47529.00
Gentamicin	118359.00	98017.00	126245.00	119143.00	100817.00	119802.00	108242.00	125982.00	109532.00	121973.00	123081.00	112154.00	101860.00	101664.00	117372.00	115717.00	108143.00	117183.00	103268.00	106709.00	106904.00	114040.00	117213.00	120018.00	98089.00	121726.00	110869.00	120041.00	103912.00	120075.00
PE(14:0/12:0)	109483.00	94422.00	110225.00	106224.00	100642.00	104942.00	104199.00	106329.00	104296.00	101677.00	87946.00	112976.00	100741.00	100786.00	102509.00	101644.00	101323.00	101782.00	98524.00	101342.00	104359.00	105960.00	105297.00	103098.00	104702.00	102011.00	92604.00	102771.00	105207.00	101585.00
MID41972:1?-hydroxy-24-methylsulfonyl-25,26,27-trinorvitamin D3 / 1?-hydroxy-24-methylsulfonyl-25,26	85995.00	78200.00	85379.00	81091.00	80003.00	78960.00	76352.00	77945.00	79017.00	76105.00	75816.00	90347.00	78999.00	79959.00	79279.00	75707.00	74329.00	76109.00	74470.00	74460.00	83977.00	83074.00	76459.00	80010.00	78065.00	76927.00	69437.00	78592.00	75520.00	79760.00
C13 H28 O3	51728.00	57729.00	50146.00	70128.00	51863.00	62468.00	66163.00	58261.00	49335.00	54116.00	49029.00	77681.00	53860.00	63575.00	39644.00	47448.00	71691.00	55599.00	78520.00	62285.00	60651.00	55780.00	79984.00	60515.00	53924.00	82879.00	47629.00	61638.00	47433.00	94315.00
(S)-2-Hydroxyglutarate	50316.00	49510.00	51380.00	48175.00	47172.00	44738.00	38271.00	38694.00	38871.00	37366.00	48025.00	57982.00	37955.00	39149.00	40514.00	37553.00	39880.00	38462.00	34255.00	37460.00	56036.00	48178.00	45951.00	51244.00	46315.00	36954.00	37430.00	39604.00	31416.00	35645.00
2-Amino-3-methyl-1-butanol Esi+11.613004	35414.00	34062.00	57970.00	89994.00	21910.00	20060.00	51977.00	81030.00	71383.00	74786.00	33310.00	22154.00	30277.00	33932.00	21203.00	25098.00	8442.00	11863.00	55283.00	42374.00	23686.00	61590.00	24632.00	47801.00	38214.00	72025.00	35852.00	61426.00	36153.00	131996.00
N-(3S-hydroxydecanoyl)-L-serine Esi+4.11	24586.00	14501.00	49688.00	9495.00	18387.00	13894.00	15702.00	14458.00	16264.00	21645.00	91601.00	24701.00	50949.00	8167.00	25077.00	11171.00	16988.00	8217.00	42643.00	11430.00	8354.00	8790.00	5216.00	54563.00	9878.00	12402.00	8154.00	17265.00	7843.00	26507.00
MG(0:0/20:3(11Z,14Z,17Z)/0:0) Esi+11.408998	69339.00	174297.00	156524.00	10849.00	10345.00	24046.00	34287.00	76954.00	11278.00	125083.00	98000.00	23402.00	39539.00	114021.00	14344.00	19685.00	44714.00	42236.00	27491.00	51251.00	38526.00	36357.00	16141.00	238369.00	42379.00	19413.00	28342.00	45233.00	1.00	119404.00
Bruceine D	60546.00	100540.00	63617.00	66800.00	53631.00	22669.00	45837.00	49364.00	25444.00	37065.00	56391.00	62459.00	26654.00	70987.00	20489.00	1.00	10942.00	58397.00	20681.00	20867.00	44707.00	38314.00	13177.00	55362.00	22930.00	58661.00	54667.00	4545.00	9304.00	57207.00
C14 H30 O3	55903.00	58565.00	59427.00	77212.00	51225.00	68029.00	85973.00	69999.00	50540.00	50972.00	45265.00	100358.00	72397.00	63762.00	55923.00	78232.00	96254.00	72629.00	79598.00	89500.00	93572.00	61999.00	101299.00	86480.00	53559.00	104724.00	50123.00	65602.00	57232.00	99972.00
N-(4-Hydroxyphenyl)propanamide	63552.00	56792.00	70212.00	65037.00	44764.00	89817.00	45392.00	95602.00	74409.00	67859.00	52577.00	38690.00	42890.00	55046.00	52457.00	31786.00	17855.00	66211.00	56647.00	35882.00	44069.00	54105.00	32370.00	61675.00	54222.00	65934.00	61433.00	26656.00	35413.00	72383.00
Flurochloridone	84320.00	84569.00	92955.00	77062.00	136370.00	99544.00	82762.00	80331.00	74369.00	48772.00	97494.00	129929.00	92463.00	81273.00	102399.00	132878.00	125844.00	91505.00	55799.00	145994.00	93214.00	112981.00	84935.00	79689.00	89507.00	121185.00	86560.00	104898.00	92185.00	76506.00
18-hydroxy-9R,10S-epoxy-stearic acid Esi+10.441998	7922.00	7992.00	7170.00	27238.00	5343.00	35666.00	35044.00	28636.00	3698.00	15157.00	11736.00	22326.00	27526.00	26961.00	14932.00	23887.00	58035.00	17755.00	16401.00	43965.00	32962.00	38035.00	28985.00	27740.00	18137.00	94439.00	4819.00	10818.00	21314.00	16761.00
11-Methyl-9Z,12-tridecadienyl acetate	12831.00	11888.00	11473.00	16031.00	9838.00	27252.00	12882.00	17151.00	8639.00	16055.00	14662.00	11943.00	14345.00	22412.00	15382.00	9495.00	30680.00	22525.00	15560.00	20146.00	13917.00	13356.00	17651.00	92299.00	20714.00	74467.00	4673.00	16261.00	7890.00	16989.00
C6 H14 O3	128164.00	124085.00	98858.00	83874.00	88825.00	124545.00	90871.00	130082.00	133575.00	95624.00	133167.00	124871.00	93177.00	120775.00	132267.00	164274.00	94895.00	160832.00	116040.00	87879.00	109418.00	97256.00	141976.00	96351.00	115658.00	159553.00	101804.00	94201.00	114447.00	132230.00
Allylmalonic acid	50515.00	29145.00	59482.00	9955.00	33325.00	45517.00	59906.00	47409.00	19995.00	59859.00	95486.00	26862.00	42700.00	30502.00	39985.00	32533.00	34054.00	43822.00	42751.00	47942.00	41015.00	40145.00	33793.00	57291.00	46946.00	36787.00	45381.00	31342.00	21132.00	57778.00
(+/-)-6-Hydroxy-3-oxo-alpha-ionol	65498.00	58899.00	68994.00	62068.00	63108.00	61216.00	61902.00	64786.00	58830.00	57128.00	56295.00	67093.00	65573.00	68382.00	65316.00	67175.00	66889.00	59225.00	63186.00	58899.00	62112.00	67485.00	69665.00	62122.00	63021.00	67085.00	55501.00	60883.00	60295.00	62115.00
2-keto valeric acid	107279.00	116073.00	112310.00	107413.00	86407.00	75735.00	107996.00	103922.00	93977.00	98831.00	96429.00	82634.00	77366.00	92099.00	85470.00	13088.00	61889.00	95794.00	87523.00	90925.00	88916.00	90363.00	41320.00	86727.00	76679.00	86561.00	93196.00	72516.00	51443.00	96957.00
L-Octanoylcarnitine	85124.00	65606.00	34545.00	8077.00	14497.00	37933.00	43564.00	5252.00	23121.00	37616.00	38958.00	13870.00	28345.00	86828.00	15571.00	40337.00	23587.00	88713.00	31107.00	44083.00	5790.00	45682.00	14613.00	35613.00	12357.00	14135.00	5823.00	31598.00	1.00	36726.00
Penicillin X	43167.00	43365.00	45241.00	58688.00	46020.00	44930.00	43743.00	39710.00	42447.00	58049.00	42127.00	47194.00	70607.00	41384.00	42156.00	40470.00	43589.00	41836.00	42419.00	39834.00	47695.00	40349.00	44559.00	47557.00	45589.00	82351.00	37917.00	41152.00	44781.00	40028.00
N(alpha)-gamma-L-Glutamylhistamine	47134.00	33158.00	69840.00	81151.00	87206.00	43865.00	58459.00	51414.00	48606.00	77543.00	71278.00	23087.00	70634.00	35733.00	90183.00	1.00	32516.00	52337.00	54436.00	33172.00	12459.00	25774.00	6738.00	54374.00	28698.00	42061.00	58069.00	50536.00	12171.00	52043.00
2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate Esi+10.53	385715.00	540329.00	423377.00	392072.00	665446.00	442891.00	466234.00	356626.00	252742.00	381446.00	654979.00	501476.00	299276.00	331650.00	298354.00	298294.00	259386.00	266973.00	202149.00	303051.00	359983.00	516429.00	269113.00	491571.00	365077.00	224001.00	326756.00	223588.00	261775.00	160041.00
PC(20:3(8Z,11Z,14Z)/0:0)	43990.00	48761.00	75488.00	33259.00	8326.00	9965.00	29893.00	59798.00	17460.00	74451.00	23858.00	8893.00	45369.00	26935.00	31959.00	12263.00	7822.00	54623.00	39432.00	44929.00	12847.00	19095.00	28639.00	55011.00	41022.00	41291.00	96067.00	28882.00	18630.00	71095.00
C7 H N O3	86337.00	48859.00	53251.00	98424.00	28014.00	55035.00	92858.00	66655.00	43512.00	66502.00	59610.00	28928.00	25809.00	54603.00	44063.00	1.00	19255.00	26711.00	53904.00	52748.00	58592.00	37507.00	15013.00	32780.00	46344.00	33415.00	60383.00	47038.00	10354.00	55059.00
alpha-Methylstyrene	80964.00	76272.00	72134.00	69323.00	63186.00	54966.00	84745.00	70048.00	53290.00	84327.00	73676.00	58171.00	61148.00	91568.00	69765.00	56330.00	72512.00	48198.00	62492.00	63175.00	57681.00	61004.00	57384.00	79754.00	74781.00	61049.00	58300.00	52707.00	51639.00	71514.00
Idebenone Metabolite (Benzenehexanoic acid, 2,5-dihydroxy-3,4-dimethoxy-6-methyl-) Esi+6.0540004	140659.00	201827.00	166505.00	217715.00	482327.00	322097.00	491680.00	453281.00	259201.00	621310.00	145544.00	151725.00	204395.00	232437.00	332191.00	343199.00	343244.00	340072.00	299469.00	473130.00	114820.00	276676.00	158956.00	348520.00	272702.00	230858.00	442724.00	329365.00	141664.00	218400.00
C31 H59 N8 O4	12015.00	10796.00	10158.00	9026.00	8283.00	12481.00	9952.00	8513.00	9033.00	10616.00	10605.00	98555.00	12570.00	8705.00	9686.00	9270.00	8502.00	9351.00	10375.00	8763.00	10766.00	10433.00	8892.00	10745.00	10186.00	8556.00	9304.00	9836.00	8580.00	12513.00
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol	40791.00	54184.00	95589.00	42652.00	40886.00	40771.00	37617.00	44530.00	40900.00	39492.00	92976.00	81018.00	37401.00	71922.00	50939.00	85174.00	75110.00	61189.00	41407.00	40271.00	35740.00	53994.00	39321.00	35239.00	143951.00	63657.00	60385.00	101278.00	37861.00	45662.00
13H-Dibenzo[a,g]fluorene	55955.00	38070.00	45783.00	71012.00	42024.00	52300.00	66054.00	53411.00	94622.00	55610.00	34805.00	36771.00	39965.00	29771.00	38784.00	1.00	33402.00	43710.00	47510.00	39225.00	33466.00	38356.00	17282.00	32942.00	35130.00	65222.00	47981.00	41479.00	33629.00	67189.00
C6 H5 N2 O4 Esi+1.0309998	473660.00	510103.00	528821.00	466540.00	407261.00	336015.00	456542.00	497073.00	407197.00	494099.00	466572.00	417097.00	424320.00	376050.00	415332.00	285804.00	304465.00	415630.00	422265.00	438162.00	461788.00	422539.00	213420.00	458527.00	431881.00	371026.00	436763.00	387779.00	265965.00	463592.00
Chloromebuform Esi+8.235995	74830.00	64068.00	88251.00	79372.00	65036.00	90546.00	87832.00	86902.00	70746.00	74746.00	54648.00	97961.00	89030.00	93071.00	71230.00	80835.00	90713.00	87185.00	73702.00	85502.00	92646.00	94390.00	85690.00	80532.00	84553.00	95688.00	64288.00	73703.00	69079.00	89125.00
Unoprostone isopropyl ester	37955.00	16103.00	57976.00	1.00	5351.00	5620.00	11440.00	25510.00	1.00	35515.00	16276.00	3994.00	13702.00	29417.00	6962.00	7094.00	9402.00	10622.00	11915.00	9037.00	12060.00	29069.00	4359.00	94890.00	10315.00	1.00	9716.00	7423.00	1.00	22119.00
MDL 74156 glucuronide	18317.00	22210.00	32685.00	33212.00	9434.00	3716.00	40966.00	55923.00	6775.00	90677.00	7813.00	3925.00	1.00	16016.00	4818.00	1.00	1.00	4274.00	11574.00	51868.00	4360.00	34308.00	3859.00	44944.00	10476.00	15269.00	50854.00	32127.00	6259.00	26233.00
TG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/19:0)[iso3]	6461.00	12509.00	4354.00	24907.00	1.00	1.00	23387.00	82429.00	3579.00	19401.00	25626.00	1.00	1.00	27104.00	1.00	1.00	1.00	1.00	25551.00	8975.00	1.00	22859.00	3670.00	37975.00	22282.00	32528.00	3414.00	9094.00	22085.00	70933.00
L-Alanine, N-propyl-	78472.00	74195.00	71294.00	78318.00	77828.00	86240.00	89810.00	78156.00	78704.00	83805.00	75122.00	84648.00	72067.00	80653.00	72279.00	73874.00	81951.00	82202.00	81831.00	71813.00	72416.00	85146.00	84675.00	65765.00	85072.00	88548.00	83978.00	83971.00	91685.00	85143.00
C33 H63 N8 O5	9891.00	9321.00	7248.00	7737.00	6510.00	13378.00	8632.00	5581.00	6930.00	7663.00	7464.00	102727.00	9359.00	6201.00	7536.00	6690.00	6255.00	7396.00	7243.00	6957.00	9384.00	7864.00	8518.00	7802.00	6121.00	7706.00	6793.00	8593.00	7170.00	10906.00
C10 H16 N4	112898.00	91119.00	94450.00	95694.00	103931.00	140998.00	107754.00	117563.00	101605.00	110969.00	103009.00	111399.00	133845.00	137382.00	111136.00	113462.00	110360.00	117659.00	122857.00	135545.00	97683.00	141037.00	105109.00	88995.00	126834.00	117855.00	103984.00	113030.00	88796.00	127241.00
10-oxo-nonadecanoic acid	27801.00	35730.00	38892.00	37367.00	15122.00	14652.00	29184.00	41761.00	32369.00	66960.00	10334.00	17713.00	24545.00	29570.00	14659.00	10155.00	5800.00	25218.00	44466.00	45956.00	17255.00	26684.00	21933.00	29234.00	26968.00	31775.00	42894.00	58921.00	25328.00	76603.00
MG(20:0/0:0/0:0)	23416.00	29849.00	40669.00	28623.00	12285.00	10569.00	23869.00	34345.00	21976.00	51328.00	9248.00	11968.00	18141.00	23797.00	12338.00	5489.00	5223.00	20955.00	36696.00	37142.00	14849.00	21387.00	20803.00	23526.00	17906.00	25001.00	38599.00	50122.00	16651.00	68244.00
24-hydroxy-10Z-tetracosenoic acid	5648.00	7347.00	5751.00	42813.00	5399.00	5367.00	5101.00	4794.00	7171.00	8256.00	6128.00	21902.00	6163.00	5107.00	4599.00	5289.00	6828.00	6580.00	4322.00	5779.00	7839.00	4460.00	5477.00	10008.00	5508.00	74538.00	5418.00	5415.00	4799.00	6942.00
C20 H34 N7	91926.00	107586.00	107497.00	109085.00	83348.00	74362.00	94146.00	119474.00	80093.00	120549.00	64896.00	77754.00	85832.00	95765.00	75072.00	87747.00	63246.00	72230.00	101223.00	106981.00	85067.00	97215.00	92653.00	94300.00	83204.00	93374.00	98924.00	113944.00	86560.00	139240.00
Sophoranol	100186.00	95292.00	91990.00	95337.00	97399.00	77765.00	97430.00	93729.00	95059.00	81274.00	95926.00	99322.00	104083.00	87683.00	85062.00	93774.00	91476.00	89237.00	77965.00	86279.00	90198.00	98112.00	79783.00	113221.00	95307.00	94735.00	84727.00	103846.00	102921.00	101128.00
DMPO Esi+1.1839995	72031.00	64485.00	68043.00	75187.00	65749.00	90234.00	74109.00	64588.00	82440.00	60975.00	69745.00	67929.00	65420.00	57854.00	63018.00	63845.00	63672.00	62682.00	68073.00	65793.00	63087.00	63511.00	68951.00	61856.00	66093.00	68087.00	70741.00	63918.00	66146.00	68443.00
Lys Lys Lys	94786.00	91761.00	92124.00	90349.00	84563.00	93246.00	84597.00	95563.00	89338.00	77507.00	89102.00	83405.00	92195.00	90984.00	88511.00	92302.00	102501.00	77788.00	71167.00	69402.00	91736.00	93603.00	88647.00	90068.00	91948.00	90733.00	81358.00	82175.00	82279.00	72234.00
L-Glutamate	73845.00	44353.00	75410.00	63014.00	30327.00	43665.00	45738.00	32470.00	87237.00	63280.00	51096.00	40899.00	30595.00	32548.00	14772.00	1.00	14272.00	25533.00	38781.00	42517.00	89020.00	34433.00	15154.00	53535.00	71810.00	36244.00	36380.00	40576.00	13437.00	28089.00
Athamantin Esi+9.451997	43494.00	36077.00	44189.00	21754.00	72680.00	53965.00	63648.00	52179.00	32722.00	64949.00	48865.00	20602.00	52799.00	25758.00	34909.00	88258.00	40656.00	17049.00	16486.00	47311.00	26675.00	67301.00	42512.00	56992.00	22652.00	16284.00	70208.00	28595.00	51113.00	9641.00
7,8-Diaminononanoate	41090.00	57027.00	19752.00	37879.00	30953.00	18830.00	24258.00	69808.00	33394.00	37476.00	15834.00	47198.00	40001.00	25346.00	17143.00	1.00	21464.00	24269.00	30130.00	31042.00	81696.00	29393.00	5456.00	40658.00	42402.00	20392.00	26717.00	21692.00	12863.00	17835.00
Dodecanoylcarnitine	48860.00	72401.00	27082.00	3617.00	7311.00	19652.00	23052.00	8799.00	8517.00	29057.00	30276.00	10175.00	27586.00	36414.00	11862.00	16420.00	42957.00	44615.00	13086.00	19253.00	8164.00	30483.00	8323.00	41684.00	10560.00	7607.00	9657.00	15248.00	1.00	34701.00
C26 H50 N2 O4	79071.00	74175.00	76095.00	73239.00	72294.00	73397.00	67199.00	70463.00	68453.00	67358.00	76402.00	79117.00	74552.00	76561.00	68955.00	69620.00	68938.00	65820.00	68987.00	66960.00	79096.00	74002.00	75373.00	71516.00	74166.00	70365.00	57631.00	67218.00	67611.00	67664.00
C5 H3 N2 O S	36125.00	42087.00	50346.00	35963.00	49339.00	47937.00	22101.00	57840.00	42924.00	30432.00	56028.00	51373.00	89200.00	51152.00	50287.00	55705.00	57752.00	49109.00	55856.00	40659.00	46064.00	49530.00	33243.00	27769.00	49261.00	30287.00	48233.00	50818.00	44489.00	38129.00
Phenobenzuron	33446.00	40838.00	26122.00	76042.00	80381.00	24181.00	46196.00	43825.00	42659.00	35745.00	4366.00	39445.00	58991.00	32682.00	44077.00	28867.00	56541.00	51591.00	66462.00	40873.00	7999.00	25996.00	3740.00	30039.00	34069.00	47574.00	64181.00	21461.00	44668.00	40586.00
cis-Caryophyllene Esi+10.1690035	7984.00	6912.00	5881.00	4856.00	6234.00	46570.00	23990.00	10088.00	8375.00	9276.00	5511.00	6563.00	29171.00	16609.00	11001.00	9641.00	11980.00	45652.00	10732.00	14898.00	5864.00	6074.00	7012.00	74740.00	26710.00	74356.00	6513.00	26934.00	8965.00	10076.00
11-Methyl-9Z,12-tridecadienyl acetate Esi+10.354003	12831.00	12289.00	11603.00	16031.00	9838.00	21429.00	11104.00	17323.00	8639.00	16055.00	17776.00	10941.00	12669.00	19231.00	15382.00	7893.00	30609.00	21705.00	15340.00	20004.00	11550.00	10284.00	17651.00	73494.00	21183.00	56387.00	5828.00	8592.00	7084.00	17377.00
trans-trans-muconic acid	38803.00	52237.00	20748.00	31937.00	39015.00	100445.00	24807.00	107427.00	103033.00	19584.00	34378.00	30354.00	8209.00	24173.00	47330.00	27228.00	15710.00	18901.00	27023.00	38964.00	34446.00	75178.00	49160.00	21664.00	37049.00	78267.00	51085.00	1.00	45176.00	63416.00
Nonoxynol-9	89895.00	92148.00	80596.00	100529.00	89624.00	98004.00	74656.00	95528.00	64563.00	97268.00	106750.00	84077.00	79642.00	79067.00	85129.00	75786.00	78410.00	75742.00	96671.00	75506.00	83481.00	103546.00	82025.00	85640.00	73653.00	95341.00	68071.00	73461.00	82933.00	94307.00
C25 H51 N8 O9	53723.00	37479.00	45307.00	43295.00	47859.00	46137.00	44663.00	71975.00	40555.00	43001.00	45599.00	47195.00	44053.00	39765.00	44812.00	43011.00	43408.00	39859.00	40482.00	42638.00	44413.00	42483.00	41450.00	38629.00	45623.00	43259.00	42030.00	42616.00	42747.00	82871.00
C17 H30 N2 O3	1.00	1.00	1.00	5633.00	1.00	12111.00	21315.00	5805.00	1.00	3385.00	1.00	16745.00	20609.00	7220.00	5359.00	52774.00	36097.00	21230.00	1.00	72399.00	29219.00	6253.00	18149.00	20009.00	1.00	49841.00	1.00	1.00	9563.00	1.00
2-Protocatechoylphloroglucinolcarboxylate	30513.00	40850.00	16757.00	26074.00	32307.00	69182.00	20055.00	79914.00	75457.00	16089.00	24413.00	21258.00	5482.00	18916.00	32570.00	18259.00	10327.00	13989.00	22344.00	26448.00	27910.00	57334.00	33666.00	15514.00	25895.00	55824.00	37694.00	1.00	31321.00	46962.00
C5 H9 N2 O5	65613.00	51235.00	53164.00	54196.00	34929.00	68793.00	51627.00	59456.00	59885.00	50359.00	42947.00	39060.00	57137.00	65879.00	61182.00	6854.00	31852.00	37806.00	39084.00	50165.00	52442.00	48456.00	36586.00	60185.00	57039.00	85957.00	57770.00	48123.00	78213.00	54774.00
Diisobutyl phthalate Esi+11.9609995	133982.00	134245.00	134911.00	160219.00	156022.00	110139.00	117073.00	121228.00	116950.00	126867.00	197269.00	142664.00	122434.00	122145.00	117573.00	117163.00	113555.00	128278.00	117609.00	135398.00	139723.00	145415.00	195921.00	114197.00	139586.00	117441.00	116902.00	124543.00	129040.00	123658.00
C21 H40 O5	49782.00	53763.00	60857.00	56216.00	45762.00	38995.00	46728.00	64460.00	40538.00	62930.00	33871.00	39381.00	46812.00	50113.00	37326.00	42333.00	34847.00	40593.00	54829.00	53207.00	42173.00	51713.00	45553.00	47833.00	42332.00	48836.00	50453.00	57639.00	43017.00	76069.00
N-acetyl-2-carboxy Benzenesulfonamide	68133.00	77474.00	82625.00	65876.00	78729.00	78378.00	76921.00	78025.00	64776.00	66292.00	83734.00	77302.00	79380.00	69527.00	85743.00	97462.00	79872.00	79383.00	72792.00	86483.00	114916.00	96124.00	73736.00	67087.00	73981.00	70402.00	72256.00	84166.00	64308.00	64192.00
Deethylatrazine	11405.00	10560.00	12072.00	11048.00	8072.00	16593.00	7314.00	15618.00	11071.00	12458.00	9209.00	5482.00	8618.00	9227.00	8962.00	5076.00	1.00	11522.00	9590.00	5966.00	7974.00	8742.00	5498.00	10621.00	10647.00	12398.00	9865.00	4202.00	4519.00	12874.00
CerP(d18:1/20:0)	7733.00	7067.00	5312.00	6225.00	4194.00	9137.00	5643.00	4547.00	4221.00	5569.00	5472.00	93530.00	7217.00	4278.00	4690.00	5352.00	4445.00	5031.00	4945.00	4512.00	6495.00	5596.00	6508.00	5145.00	5088.00	5755.00	5299.00	4774.00	4611.00	7942.00
C30 H53 N8 O4	87159.00	94116.00	115830.00	97325.00	84681.00	82602.00	99647.00	86922.00	90977.00	101691.00	91695.00	116510.00	91378.00	84176.00	84578.00	100888.00	89140.00	97493.00	101209.00	96022.00	91199.00	88588.00	72883.00	107800.00	98826.00	101967.00	84749.00	83586.00	99373.00	98528.00
C12 H26 N2 O5	29093.00	17856.00	59128.00	51757.00	38843.00	12748.00	17026.00	38503.00	19649.00	73613.00	36792.00	18585.00	21661.00	11642.00	10860.00	1.00	10863.00	17130.00	48178.00	17639.00	10209.00	10490.00	1.00	39746.00	28349.00	17178.00	26440.00	22581.00	1.00	67201.00
4-(Trimethylammonio)but-2-enoate Esi+1.0419999	139109.00	87025.00	306360.00	2155184.00	288646.00	27834.00	22676.00	27848.00	122623.00	912782.00	1820309.00	1430889.00	915600.00	57112.00	21629.00	7633.00	332113.00	191674.00	1837949.00	56824.00	9786.00	62181.00	5256.00	761903.00	940272.00	47606.00	624645.00	51071.00	10764.00	1616478.00
Valine	73346.00	72942.00	71134.00	63578.00	83269.00	59116.00	45746.00	84141.00	67838.00	86909.00	55832.00	36984.00	48464.00	45461.00	48611.00	30913.00	21262.00	48940.00	64297.00	43304.00	43937.00	38318.00	18202.00	72627.00	51156.00	67605.00	68915.00	28044.00	25842.00	86991.00
Deoxycoformycin	40701.00	28156.00	50297.00	39934.00	65254.00	26465.00	48388.00	39919.00	32492.00	72301.00	28012.00	24864.00	56925.00	27580.00	66717.00	19124.00	24856.00	58490.00	61748.00	34230.00	12606.00	17549.00	3899.00	48968.00	27164.00	27731.00	67689.00	20331.00	18758.00	49007.00
(E)-2-Butenyl-4-methyl-threonine Esi+1.2449999	100755.00	142926.00	249355.00	191746.00	162959.00	69389.00	99575.00	187807.00	71036.00	509374.00	107779.00	146428.00	143618.00	130660.00	118060.00	143994.00	80634.00	110378.00	227653.00	164476.00	72624.00	83796.00	41750.00	185520.00	96620.00	181514.00	121802.00	190764.00	40978.00	273470.00
Catechin-4beta-ol	50162.00	37041.00	28994.00	49881.00	35534.00	33153.00	32858.00	30233.00	44470.00	31204.00	40903.00	45219.00	27587.00	25196.00	27308.00	33092.00	9538.00	31460.00	15557.00	17420.00	59368.00	33515.00	14621.00	32390.00	48325.00	32684.00	30541.00	14651.00	15566.00	25188.00
N-arachidonoyl tyrosine	25600.00	34687.00	23042.00	47941.00	19794.00	16616.00	46278.00	80565.00	22706.00	43964.00	50781.00	20791.00	17990.00	50288.00	15705.00	4248.00	1.00	15340.00	48957.00	29453.00	18972.00	44829.00	19340.00	56078.00	46688.00	57843.00	22134.00	33056.00	43408.00	77609.00
16?-Hydroxy-17-epistanozolol	74247.00	70287.00	69566.00	70422.00	76467.00	76829.00	72883.00	75042.00	69923.00	79998.00	87084.00	82920.00	73230.00	72716.00	75887.00	77959.00	72036.00	75389.00	57265.00	76848.00	81695.00	85355.00	73369.00	76161.00	71850.00	76934.00	70068.00	78332.00	65262.00	81335.00
4alpha-formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol	12760.00	19816.00	11315.00	33557.00	9477.00	8353.00	29858.00	77036.00	9886.00	28800.00	32480.00	8279.00	7975.00	32729.00	5775.00	1.00	1.00	5966.00	31481.00	16616.00	7198.00	28134.00	10631.00	40013.00	26044.00	37547.00	9757.00	19112.00	28494.00	77701.00
n-Butylbenzene	9435.00	6197.00	5141.00	15787.00	6004.00	27136.00	20051.00	15115.00	7109.00	10573.00	8703.00	13712.00	18597.00	15309.00	10337.00	13149.00	25940.00	23219.00	11557.00	20458.00	17938.00	18629.00	15471.00	72208.00	10676.00	76763.00	6627.00	9295.00	11461.00	12666.00
LysoPC(20:4(8Z,11Z,14Z,17Z)) Esi+11.109995	11982.00	14976.00	11314.00	5238.00	1.00	8345.00	14682.00	10679.00	6320.00	16514.00	83556.00	3632.00	23370.00	11380.00	13768.00	1.00	13523.00	45152.00	16934.00	5795.00	5637.00	13025.00	13138.00	29022.00	57851.00	23650.00	23629.00	12388.00	7148.00	17060.00
Molinate	28217.00	49441.00	52182.00	33629.00	55289.00	41983.00	33053.00	66380.00	39631.00	42592.00	83543.00	53625.00	66240.00	33064.00	49384.00	1.00	47542.00	45326.00	51913.00	28659.00	52377.00	40348.00	16784.00	53914.00	51083.00	40000.00	42293.00	52278.00	20114.00	31911.00
MID41944:1?-hydroxy-20-oxo-22,23,24,25,26,27-hexanorvitamin D3 / 1?-hydroxy-20-oxo-22,23,24,25,26,27	71907.00	95784.00	76321.00	86081.00	93985.00	88625.00	71633.00	86708.00	72882.00	68586.00	85761.00	79991.00	68810.00	76822.00	74919.00	90795.00	89749.00	84905.00	68649.00	74323.00	74815.00	78375.00	68124.00	76482.00	97535.00	77348.00	68216.00	76959.00	84400.00	79218.00
3-Acetamidopropanal Esi+0.8190002	48811.00	43120.00	25858.00	55270.00	60041.00	26927.00	35852.00	34604.00	28945.00	28601.00	20842.00	50720.00	43346.00	40806.00	17763.00	26697.00	32547.00	34533.00	22342.00	27230.00	91337.00	37290.00	16164.00	26655.00	51691.00	24729.00	21498.00	37536.00	22220.00	30263.00
Phe Arg Arg	7337.00	29399.00	5262.00	70177.00	29802.00	16037.00	36677.00	18624.00	10809.00	38602.00	13342.00	28235.00	4971.00	28577.00	11672.00	3931.00	5669.00	31916.00	25384.00	30988.00	14670.00	23666.00	6440.00	28785.00	47676.00	38751.00	5042.00	27263.00	8516.00	35351.00
C18 H33 N3 O3	55934.00	46136.00	60087.00	55468.00	51218.00	53748.00	51725.00	51532.00	56110.00	51242.00	51171.00	57061.00	65188.00	49417.00	51615.00	63704.00	55758.00	70653.00	61968.00	60050.00	53475.00	58183.00	53549.00	49507.00	55119.00	52363.00	64384.00	53069.00	61291.00	50523.00
18-hydroxy-9R,10S-epoxy-stearic acid Esi+10.359	6225.00	5121.00	5352.00	17507.00	4822.00	29003.00	23389.00	21788.00	1.00	11723.00	9444.00	17364.00	18056.00	16838.00	10831.00	17747.00	35735.00	12023.00	12564.00	30038.00	22931.00	27571.00	20985.00	18409.00	11789.00	63509.00	4605.00	6939.00	13690.00	12222.00
LysoPC(18:2(9Z,12Z)) Esi+11.135002	53663.00	59097.00	107055.00	41009.00	53581.00	39814.00	47101.00	64503.00	48274.00	87531.00	323124.00	97224.00	82648.00	51180.00	61425.00	47689.00	17338.00	147602.00	37855.00	25149.00	72376.00	109038.00	56123.00	64871.00	172635.00	76927.00	31671.00	43535.00	37859.00	49962.00
C16 H36 N12 O8	58773.00	63726.00	62764.00	50349.00	43602.00	42945.00	57233.00	49405.00	40194.00	46416.00	50153.00	46220.00	42667.00	45309.00	50682.00	1.00	36687.00	46175.00	40311.00	49902.00	47000.00	49270.00	16819.00	36655.00	46131.00	45044.00	46580.00	40408.00	23632.00	40767.00
(25S)-5alpha-cholestan-3beta,6alpha,7beta,8beta,15alpha,16beta,26-heptol	87402.00	77435.00	90511.00	86555.00	94014.00	78003.00	92357.00	80619.00	79656.00	80469.00	80101.00	91077.00	85291.00	82657.00	85081.00	87099.00	85468.00	81154.00	66568.00	97510.00	86234.00	99835.00	88967.00	80414.00	85900.00	89350.00	72276.00	80125.00	83336.00	79494.00
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-octanoate	61898.00	64441.00	60527.00	61931.00	63763.00	63670.00	65820.00	64545.00	65912.00	64400.00	61906.00	68573.00	61522.00	66203.00	66876.00	58254.00	63016.00	63813.00	64447.00	64846.00	70416.00	58756.00	67675.00	60001.00	67151.00	66877.00	53947.00	65033.00	60994.00	64881.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate Esi+9.475999	1.00	1.00	1.00	1.00	1.00	1.00	56840.00	50876.00	40967.00	55528.00	1.00	1.00	37167.00	1.00	1.00	1.00	1.00	33658.00	31651.00	1.00	1.00	1.00	36712.00	1.00	1.00	29368.00	44644.00	33634.00	42131.00	24249.00
11-Hydroxyvittatine	19441.00	66852.00	42657.00	25898.00	50937.00	22244.00	32710.00	47865.00	21903.00	19594.00	70692.00	50185.00	29486.00	41625.00	27196.00	1.00	17351.00	43746.00	15917.00	12850.00	41952.00	34032.00	9699.00	38737.00	25862.00	45071.00	40488.00	8353.00	7624.00	16919.00
CPX	61805.00	63328.00	62719.00	63665.00	61194.00	58467.00	57927.00	50556.00	63250.00	56388.00	54575.00	58768.00	59934.00	61322.00	61852.00	63198.00	61288.00	46905.00	58298.00	56249.00	67565.00	57956.00	66030.00	67427.00	61753.00	59553.00	48585.00	62125.00	58046.00	43274.00
1-Aminocyclohexanecarboxylic acid	31157.00	39136.00	33975.00	72801.00	19379.00	28245.00	24178.00	66652.00	28794.00	59859.00	76152.00	68491.00	51510.00	33512.00	23885.00	35481.00	16517.00	22201.00	55154.00	45627.00	28024.00	51395.00	10796.00	45719.00	38269.00	37195.00	34643.00	37998.00	21252.00	91985.00
C21 H37 N Esi+11.283998	48412.00	50110.00	46014.00	46042.00	56673.00	52530.00	48266.00	47477.00	48810.00	48460.00	50762.00	50530.00	51546.00	50264.00	49571.00	49651.00	45807.00	44471.00	44948.00	44933.00	50732.00	47276.00	50001.00	50484.00	50120.00	48313.00	44737.00	45771.00	42878.00	68029.00
C6 H14 O4 Esi+3.134001	195547.00	171956.00	147487.00	166806.00	48279.00	203491.00	184193.00	201890.00	181018.00	201935.00	326436.00	186830.00	180413.00	203716.00	188203.00	173176.00	164516.00	143344.00	207269.00	203447.00	153271.00	183011.00	175721.00	163119.00	42809.00	185720.00	197775.00	207440.00	187999.00	194863.00
Desmethyldoxepine	84858.00	45798.00	81254.00	64231.00	77836.00	69263.00	59784.00	174168.00	24193.00	89779.00	75060.00	156827.00	68480.00	61820.00	19693.00	19406.00	40870.00	200082.00	60264.00	74958.00	47820.00	82469.00	29962.00	22962.00	50815.00	59024.00	85689.00	28643.00	55017.00	223814.00
N-Methylanthranilic Acid	7693.00	6881.00	8465.00	12447.00	16114.00	14564.00	6353.00	38980.00	9856.00	27021.00	13114.00	25368.00	33017.00	6000.00	7407.00	4881.00	18787.00	9897.00	76306.00	7349.00	10586.00	11058.00	10786.00	20307.00	18025.00	17437.00	16403.00	10406.00	15850.00	27943.00
Octanoic acid, 3-amino-, (1)-	5169.00	3207.00	5292.00	11234.00	1.00	24854.00	19971.00	19381.00	1.00	8852.00	6313.00	21934.00	46584.00	17443.00	15466.00	52412.00	41782.00	23891.00	9887.00	68943.00	30272.00	23924.00	20703.00	14063.00	13524.00	42187.00	4816.00	5502.00	20241.00	7374.00
Silafluofen	67089.00	74630.00	72731.00	70386.00	70287.00	63398.00	69998.00	68056.00	69316.00	65887.00	69712.00	74617.00	69766.00	70233.00	70089.00	72049.00	67759.00	70360.00	59986.00	66699.00	72765.00	68027.00	74516.00	72623.00	71945.00	71881.00	63023.00	71722.00	71409.00	69366.00
Carbenoxolone	79083.00	83016.00	81117.00	87640.00	81266.00	82099.00	74710.00	81033.00	60674.00	87666.00	88244.00	86302.00	86648.00	68343.00	67654.00	78112.00	83023.00	74749.00	62775.00	70166.00	90847.00	86132.00	85084.00	79754.00	79996.00	81116.00	78776.00	78365.00	84120.00	77621.00
Gabapentin Esi+1.2610004	9323.00	20629.00	51930.00	32771.00	21626.00	12661.00	16745.00	72850.00	12434.00	33751.00	28952.00	17487.00	31422.00	23184.00	26199.00	25702.00	23610.00	22284.00	29345.00	35170.00	8932.00	18814.00	5972.00	43458.00	26142.00	63539.00	25977.00	35846.00	9269.00	43802.00
8E-Heptadecenedioic acid	61122.00	53651.00	21732.00	5877.00	10605.00	25280.00	29269.00	6406.00	14105.00	22815.00	27096.00	10888.00	22741.00	59053.00	12193.00	23547.00	23744.00	57312.00	18444.00	24862.00	4063.00	32606.00	10255.00	33078.00	8881.00	8327.00	6920.00	20029.00	1.00	30583.00
Prilocaine	79976.00	78262.00	78152.00	80353.00	80947.00	80180.00	78602.00	77718.00	75552.00	76396.00	79752.00	74779.00	76788.00	71151.00	75745.00	80287.00	81491.00	72549.00	80191.00	77793.00	79323.00	87136.00	81310.00	81943.00	84756.00	83137.00	79218.00	78168.00	79807.00	86442.00
LysoPC(22:5(7Z,10Z,13Z,16Z,19Z))	35992.00	31575.00	33357.00	18751.00	9654.00	6469.00	42396.00	23161.00	14519.00	67036.00	30490.00	7627.00	43913.00	20517.00	33500.00	5744.00	8838.00	32629.00	37096.00	30457.00	11877.00	8126.00	25759.00	35070.00	26076.00	52431.00	61844.00	39329.00	14663.00	70709.00
n-Butylbenzene Esi+10.358001	10446.00	5319.00	5598.00	9066.00	5727.00	23127.00	15402.00	12615.00	3339.00	11232.00	6501.00	10825.00	14188.00	10527.00	8984.00	12989.00	20812.00	19663.00	9160.00	14867.00	16588.00	14835.00	11870.00	59329.00	9459.00	64658.00	5259.00	11048.00	10124.00	9646.00
C15 H32 O3	20899.00	25384.00	28512.00	39286.00	22079.00	29121.00	46066.00	36310.00	22476.00	26210.00	20336.00	59222.00	38068.00	29701.00	27177.00	46665.00	68592.00	34826.00	38236.00	60312.00	58813.00	28333.00	56004.00	54266.00	25805.00	67013.00	21031.00	31830.00	31700.00	56479.00
4E,9Z-Tetradecadienal Esi+10.088997	7448.00	7245.00	5641.00	4282.00	7178.00	44214.00	26894.00	9682.00	9220.00	9475.00	6556.00	6391.00	25907.00	20508.00	13091.00	11680.00	30480.00	44365.00	12148.00	19742.00	4862.00	6860.00	7313.00	62877.00	32681.00	59647.00	9221.00	29543.00	8727.00	10283.00
Dehydrofalcarinol	61449.00	65927.00	57053.00	57967.00	23927.00	14387.00	60988.00	54043.00	36624.00	60356.00	45631.00	57848.00	46622.00	37145.00	58029.00	1.00	26104.00	48149.00	42230.00	59013.00	44827.00	29173.00	18621.00	53576.00	39121.00	34716.00	49149.00	24626.00	17461.00	66168.00
PE(O-16:0/18:3(9Z,12Z,15Z))	74455.00	60087.00	72132.00	70475.00	79513.00	66466.00	55981.00	63381.00	63769.00	72616.00	76272.00	76959.00	61615.00	75835.00	60691.00	65233.00	59024.00	75425.00	62024.00	69258.00	77335.00	69386.00	67194.00	76510.00	65387.00	62654.00	67596.00	59981.00	55378.00	62412.00
PS(20:3(8Z,11Z,14Z)/18:0)	105980.00	14405.00	183604.00	1.00	1.00	1.00	3150.00	8762.00	8803.00	10520.00	1.00	1.00	45565.00	7783.00	1.00	5770.00	1.00	1.00	1.00	1.00	8170.00	6518.00	35300.00	1.00	1.00	1.00	19093.00	6601.00	1.00	4065.00
C9 H17 N O13	269777.00	161543.00	102809.00	53952.00	110835.00	58798.00	160156.00	145365.00	53967.00	105159.00	107792.00	269714.00	165654.00	250279.00	29589.00	55163.00	9883.00	252724.00	48402.00	89614.00	218374.00	95020.00	57161.00	134856.00	40826.00	57572.00	68869.00	68356.00	5726.00	72001.00
Neral	3962.00	3610.00	4633.00	5471.00	3594.00	19326.00	9021.00	7317.00	3178.00	4603.00	5080.00	9736.00	8527.00	6931.00	7062.00	7082.00	9072.00	16811.00	5406.00	8781.00	9514.00	7884.00	7233.00	63573.00	6630.00	48145.00	1.00	4734.00	6479.00	5767.00
PC(18:0/18:1(9Z))	72083.00	34822.00	19323.00	10091.00	15373.00	44762.00	44069.00	1.00	1.00	7978.00	8706.00	23445.00	21352.00	9909.00	9626.00	1.00	20420.00	23214.00	36451.00	21496.00	6723.00	31047.00	10244.00	5536.00	11177.00	10942.00	15205.00	25331.00	35892.00	12405.00
C18 H33 N3 O3 Esi+5.833003	39978.00	31767.00	37633.00	36995.00	37451.00	36010.00	36302.00	36662.00	35733.00	36201.00	35739.00	41092.00	41117.00	35887.00	37178.00	39969.00	36840.00	39436.00	36183.00	39529.00	38451.00	40689.00	38046.00	35484.00	36905.00	36284.00	37646.00	38581.00	37356.00	34668.00
Piracetam	1.00	5730.00	5242.00	10591.00	19531.00	9575.00	3921.00	13815.00	9208.00	58726.00	16761.00	23604.00	46356.00	6593.00	8515.00	1.00	9984.00	19102.00	47201.00	7411.00	5667.00	1.00	1.00	11755.00	8919.00	4168.00	70897.00	5041.00	1.00	21819.00
24-Nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-pentol	67161.00	71098.00	68940.00	69630.00	73035.00	73644.00	71173.00	69688.00	74275.00	69537.00	70560.00	76059.00	77550.00	72538.00	67759.00	63327.00	73269.00	70073.00	64439.00	65948.00	68924.00	76570.00	69366.00	69381.00	71506.00	68001.00	62078.00	65242.00	66907.00	66772.00
C9 H21 N O3	60047.00	31667.00	23949.00	26447.00	23079.00	21613.00	20940.00	20702.00	16194.00	26865.00	16923.00	64060.00	21243.00	36143.00	22082.00	22622.00	64284.00	15576.00	20573.00	38955.00	19877.00	22801.00	22228.00	21305.00	29171.00	32607.00	18194.00	17378.00	42837.00	18164.00
C16 H34 O4	27418.00	27685.00	28708.00	44833.00	25175.00	44237.00	39771.00	37923.00	19838.00	22924.00	25916.00	37824.00	33414.00	29452.00	26429.00	38102.00	57324.00	32212.00	29694.00	51563.00	36563.00	53811.00	39504.00	30445.00	36487.00	77547.00	22750.00	22391.00	37944.00	36207.00
5-trans U-44069	45387.00	52073.00	31145.00	1.00	16015.00	19854.00	18301.00	16605.00	6645.00	31368.00	40320.00	12336.00	19527.00	37413.00	8690.00	12458.00	16471.00	46917.00	22779.00	25866.00	5135.00	33278.00	5970.00	57462.00	16593.00	7490.00	9973.00	14823.00	1.00	25625.00
1-Hexadecyl Lysophosphatidic Acid	32105.00	43306.00	43226.00	45301.00	26343.00	24974.00	39768.00	55002.00	42619.00	64900.00	25821.00	26382.00	36157.00	37557.00	21184.00	14223.00	9931.00	34185.00	49870.00	53189.00	28524.00	36652.00	35106.00	41893.00	36240.00	43596.00	46959.00	62807.00	32377.00	64068.00
C8 H18 O3	36959.00	37569.00	41066.00	37443.00	36501.00	39304.00	38122.00	37633.00	39246.00	39367.00	51020.00	43931.00	38087.00	36431.00	38554.00	39212.00	41927.00	39966.00	35917.00	37842.00	39120.00	40637.00	39269.00	41004.00	49958.00	43890.00	39685.00	42993.00	37723.00	37934.00
Pseudolaric Acid B	39823.00	54233.00	37486.00	33009.00	66273.00	47699.00	46922.00	37527.00	23017.00	34919.00	68046.00	50286.00	24767.00	29258.00	26080.00	27420.00	24187.00	25500.00	17556.00	27949.00	32159.00	51514.00	26822.00	50513.00	31475.00	19045.00	35639.00	16958.00	22241.00	12679.00
C4 H N2 O S	16597.00	33851.00	26994.00	26161.00	23405.00	41081.00	23776.00	33129.00	33171.00	31654.00	44501.00	25375.00	66090.00	38846.00	38740.00	41201.00	34023.00	25537.00	28881.00	21437.00	41991.00	26163.00	26878.00	40610.00	34283.00	39923.00	23118.00	35972.00	32500.00	16653.00
3E-Dodecenyl acetate Esi+10.087003	9412.00	24777.00	20578.00	19508.00	9441.00	46978.00	26109.00	13720.00	12612.00	12139.00	8040.00	25086.00	33339.00	22693.00	14437.00	16121.00	18096.00	43322.00	17695.00	22323.00	20580.00	25038.00	28189.00	54691.00	33663.00	56093.00	10262.00	32221.00	11870.00	14256.00
4-PIOL	53393.00	40007.00	49612.00	64628.00	33647.00	33753.00	39719.00	49601.00	40163.00	36766.00	38668.00	60639.00	42729.00	46976.00	30906.00	27343.00	32308.00	47226.00	40176.00	31687.00	45307.00	44790.00	13965.00	39183.00	48498.00	32950.00	30509.00	22817.00	19602.00	33259.00
Isoproturon	42258.00	46264.00	20819.00	6459.00	24286.00	35984.00	33937.00	48947.00	26386.00	17107.00	6811.00	17078.00	3949.00	20667.00	34481.00	29581.00	27183.00	11307.00	19359.00	24801.00	20437.00	18865.00	11997.00	15874.00	20063.00	18172.00	23773.00	24280.00	14528.00	61663.00
l-2-hydroxy-decanoic acid	127297.00	96989.00	93363.00	76977.00	85761.00	126256.00	66864.00	62129.00	74713.00	94604.00	120756.00	51157.00	82983.00	134523.00	75988.00	52233.00	39765.00	45595.00	76408.00	61316.00	53105.00	128782.00	83376.00	25748.00	146385.00	62341.00	110479.00	106090.00	95475.00	65144.00
Brunfelsamidine	60156.00	42763.00	53213.00	59626.00	42868.00	51253.00	51326.00	58224.00	51701.00	64970.00	49456.00	28637.00	54914.00	44979.00	64352.00	1.00	23436.00	46970.00	59013.00	40511.00	34873.00	35569.00	12951.00	64232.00	41721.00	50751.00	64465.00	33358.00	32891.00	51821.00
C21 H47 N11 O14	57572.00	65020.00	66127.00	56545.00	47562.00	41442.00	56628.00	49957.00	41915.00	49287.00	54068.00	49422.00	42673.00	43899.00	49125.00	1.00	35430.00	47762.00	42044.00	50229.00	50050.00	46975.00	9947.00	40198.00	42348.00	45524.00	47931.00	47840.00	18302.00	47920.00
Tyr Leu Val	6432.00	6082.00	7436.00	7485.00	6356.00	6498.00	8342.00	56736.00	7535.00	7141.00	8684.00	6693.00	7148.00	5829.00	7134.00	7524.00	7626.00	5998.00	7211.00	6525.00	18598.00	5542.00	6476.00	5270.00	5851.00	6376.00	6833.00	5106.00	6644.00	6301.00
C17 H36 O3 Esi+12.306	32922.00	56930.00	1.00	54428.00	1.00	39697.00	1.00	1.00	56363.00	26273.00	3711.00	1.00	6685.00	1.00	1.00	15410.00	1.00	19860.00	31404.00	1.00	1.00	83268.00	3723.00	22010.00	1.00	1.00	38131.00	1.00	1.00	87722.00
Athidathion	51127.00	47626.00	50618.00	47289.00	47171.00	49574.00	48027.00	46157.00	45777.00	50729.00	46013.00	52212.00	46426.00	47295.00	43402.00	46645.00	49199.00	48215.00	49002.00	48576.00	50163.00	50860.00	51816.00	49693.00	48356.00	50093.00	39336.00	47487.00	46550.00	49785.00
Dimethoxane	14364.00	16563.00	15825.00	11638.00	12518.00	17838.00	11005.00	16736.00	7847.00	21758.00	30997.00	9976.00	18532.00	14848.00	14798.00	1.00	9620.00	12433.00	19892.00	4116.00	12584.00	19154.00	3950.00	18627.00	10228.00	13564.00	6436.00	9446.00	3595.00	10793.00
8-Amino Caprylic acid Esi+1.514	15059.00	19930.00	27579.00	1.00	24387.00	19338.00	15366.00	35593.00	11371.00	24168.00	21095.00	22835.00	20623.00	1.00	1.00	11648.00	13041.00	15750.00	25546.00	20248.00	1.00	21923.00	5241.00	23307.00	1.00	23380.00	17264.00	24268.00	7062.00	1.00
C16 H14 N15 O S	53854.00	57936.00	48099.00	52091.00	53219.00	48560.00	41087.00	39176.00	39384.00	40159.00	55291.00	61114.00	43860.00	40116.00	42254.00	38941.00	38620.00	39430.00	37803.00	39363.00	56981.00	54568.00	49000.00	56970.00	47696.00	39873.00	37561.00	40850.00	32854.00	37288.00
Batrachotoxinin A	66182.00	57767.00	73241.00	58267.00	60072.00	64402.00	61976.00	67422.00	62067.00	65990.00	64085.00	64302.00	49306.00	56318.00	59131.00	68275.00	62008.00	60016.00	59720.00	61158.00	65462.00	66560.00	67174.00	61261.00	51738.00	69930.00	56920.00	54200.00	66765.00	53672.00
C5 N2 O5 S2	53132.00	50513.00	50255.00	53565.00	51791.00	52894.00	52747.00	55408.00	49743.00	50425.00	59899.00	57220.00	52597.00	43891.00	51814.00	1.00	59514.00	55009.00	52529.00	52803.00	47318.00	55905.00	62845.00	44932.00	50771.00	56519.00	51635.00	56052.00	60105.00	50964.00
1-Hexadecylamine	58654.00	55845.00	55320.00	56285.00	59075.00	55456.00	56089.00	55768.00	55541.00	57333.00	53073.00	59173.00	61046.00	59618.00	55615.00	55594.00	56887.00	53949.00	53380.00	57445.00	56872.00	55960.00	59416.00	55309.00	57171.00	56378.00	49123.00	54685.00	56121.00	56314.00
Vitamin E succinate(tocopherol succinate) Esi+13.743996	51827.00	47206.00	128287.00	46096.00	42611.00	67710.00	68834.00	59775.00	71940.00	85777.00	46597.00	54885.00	50529.00	46111.00	60810.00	50177.00	33994.00	56909.00	53678.00	75740.00	48352.00	54606.00	55310.00	71242.00	52983.00	68180.00	50331.00	63119.00	46045.00	102973.00
Fagomine	9453.00	6916.00	5960.00	17985.00	6132.00	39499.00	5333.00	7062.00	1.00	22218.00	17069.00	4186.00	12403.00	20703.00	8847.00	7153.00	7474.00	14049.00	10597.00	62826.00	1.00	31161.00	9427.00	1.00	62627.00	8335.00	9034.00	5388.00	7784.00	3793.00
Mycosporine	33250.00	50836.00	36046.00	51527.00	44648.00	28452.00	34584.00	43269.00	56903.00	35090.00	28219.00	47245.00	46845.00	53327.00	29145.00	22493.00	9864.00	32891.00	46280.00	36720.00	51967.00	23787.00	13688.00	55695.00	42045.00	41045.00	28036.00	35766.00	15027.00	37912.00
trans-2-Phenylcyclopropanecarboxylic acid	42437.00	40006.00	47695.00	42269.00	33331.00	50037.00	54507.00	51812.00	35786.00	42137.00	32554.00	56205.00	48748.00	50507.00	41096.00	45110.00	58851.00	46351.00	42152.00	50598.00	54301.00	51713.00	45166.00	48179.00	41587.00	58653.00	38785.00	39387.00	38559.00	51675.00
(E)-2-Butenyl-4-methyl-threonine Esi+5.136998	7267.00	4533.00	5901.00	14625.00	6850.00	21405.00	14717.00	18354.00	4879.00	12832.00	9207.00	15263.00	34139.00	14122.00	17367.00	44581.00	35222.00	17397.00	10621.00	63445.00	21624.00	16634.00	23442.00	11561.00	15097.00	37202.00	9088.00	8932.00	25166.00	12231.00
C8 N2 O S	57115.00	53481.00	60235.00	54471.00	58114.00	59309.00	54610.00	57595.00	53451.00	57304.00	59712.00	56835.00	59584.00	50361.00	61031.00	16796.00	67207.00	52018.00	52343.00	54763.00	61628.00	61770.00	66139.00	44404.00	60006.00	65941.00	59569.00	60866.00	67015.00	53439.00
2-Amino-3-methyl-1-butanol Esi+12.468997	7409.00	6191.00	4682.00	29413.00	6822.00	9936.00	25860.00	23793.00	42835.00	11979.00	5133.00	3103.00	4059.00	9320.00	1.00	4895.00	1.00	1.00	13324.00	9217.00	3280.00	31444.00	8240.00	8959.00	15105.00	35589.00	1.00	37511.00	21298.00	61530.00
Val Lys	29427.00	21126.00	31481.00	28728.00	32538.00	17400.00	15348.00	57194.00	20176.00	43518.00	27364.00	14639.00	26061.00	16526.00	28830.00	1.00	17108.00	14891.00	32591.00	16290.00	22533.00	15317.00	5266.00	31829.00	19980.00	11851.00	38742.00	18116.00	11380.00	16898.00
Gly Val Arg	29242.00	13545.00	10535.00	17510.00	43426.00	23548.00	17141.00	44385.00	6097.00	16230.00	7624.00	56728.00	36796.00	23997.00	8638.00	8293.00	7841.00	36878.00	9675.00	20628.00	42024.00	43508.00	12652.00	4477.00	31037.00	23438.00	13071.00	5283.00	14685.00	23737.00
2-Methylpyridine	108097.00	108678.00	118898.00	113663.00	56587.00	94231.00	103269.00	123346.00	104899.00	95458.00	111618.00	64183.00	106992.00	97082.00	75861.00	75311.00	91363.00	93855.00	73781.00	106418.00	114102.00	114045.00	67101.00	101308.00	105247.00	105976.00	82930.00	121731.00	100146.00	80425.00
Galactose 1-phosphate	11656.00	5049.00	25728.00	32412.00	51045.00	31228.00	76893.00	38744.00	6904.00	15464.00	10204.00	21411.00	7566.00	20618.00	52705.00	29831.00	44527.00	18515.00	24770.00	7627.00	32494.00	24436.00	57835.00	6877.00	21820.00	39471.00	11829.00	17857.00	22302.00	23542.00
3-Hydroxy-1-indanone	39974.00	34057.00	48268.00	34298.00	31120.00	51717.00	42935.00	48855.00	34921.00	40560.00	31792.00	46841.00	45377.00	49401.00	39371.00	44240.00	45501.00	41841.00	32729.00	39357.00	45542.00	56739.00	44332.00	39920.00	48359.00	46764.00	41431.00	29512.00	35553.00	30878.00
C31 H37 N4 O4	24795.00	47962.00	38235.00	27772.00	23438.00	18636.00	35748.00	47854.00	25361.00	11578.00	4171.00	11622.00	32159.00	29212.00	32535.00	22143.00	51364.00	25063.00	32133.00	29221.00	12339.00	23584.00	33326.00	28093.00	10187.00	29896.00	60639.00	30188.00	16639.00	26316.00
Phytophthora mating hormone alpha1	21788.00	23147.00	22372.00	25302.00	15565.00	14492.00	22067.00	28605.00	26593.00	46350.00	9381.00	14292.00	19869.00	22174.00	12444.00	11595.00	9394.00	22300.00	30072.00	32561.00	16217.00	21852.00	19008.00	21961.00	22514.00	22606.00	29619.00	41452.00	21710.00	54934.00
ciclopirox	103942.00	108296.00	44678.00	100493.00	104657.00	93990.00	98736.00	98981.00	94264.00	104328.00	99570.00	99749.00	137462.00	35017.00	94281.00	100498.00	55279.00	97595.00	94665.00	92424.00	96969.00	97078.00	71264.00	96873.00	111563.00	102961.00	98653.00	92047.00	94310.00	102376.00
benzylazanium	68434.00	66456.00	75981.00	63347.00	72808.00	74303.00	53402.00	64691.00	67659.00	74050.00	63084.00	76690.00	25488.00	66196.00	72973.00	75696.00	65155.00	68488.00	64637.00	75526.00	84994.00	68606.00	78474.00	64834.00	67389.00	70373.00	68908.00	79370.00	68618.00	72585.00
C13 H25 N O2	22622.00	21393.00	54799.00	9350.00	27392.00	5410.00	14210.00	128866.00	5914.00	35313.00	15040.00	63385.00	29460.00	17832.00	1.00	1.00	8674.00	200374.00	15285.00	37704.00	14478.00	17526.00	4926.00	4450.00	4239.00	8863.00	70924.00	8510.00	8897.00	264760.00
2,5-Xylidine	65074.00	57417.00	78607.00	63463.00	64475.00	65325.00	72608.00	78992.00	72272.00	66106.00	63045.00	68519.00	62592.00	63251.00	64009.00	68420.00	66993.00	75863.00	78937.00	69110.00	74809.00	73224.00	66226.00	67189.00	59869.00	61792.00	50962.00	61152.00	62165.00	64380.00
4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol	1.00	8683.00	6734.00	5679.00	19643.00	5244.00	1.00	5726.00	19986.00	4313.00	1.00	18154.00	49874.00	1.00	1.00	1.00	39128.00	60954.00	11946.00	6955.00	1.00	4691.00	1.00	6914.00	1.00	4314.00	23792.00	1.00	1.00	8076.00
2,4-Dinitrophenylhydrazine	55482.00	50314.00	58410.00	53511.00	58153.00	51256.00	52528.00	56780.00	51168.00	55532.00	50803.00	54504.00	50697.00	48778.00	56218.00	54180.00	50311.00	53555.00	51488.00	52831.00	59612.00	55936.00	55263.00	45048.00	56804.00	52465.00	51407.00	50928.00	53719.00	52671.00
C15 H32 O6	44628.00	27180.00	22726.00	47142.00	54093.00	62824.00	37346.00	59742.00	16817.00	18554.00	26923.00	65019.00	63151.00	48056.00	25858.00	33361.00	36256.00	56247.00	31486.00	60032.00	54250.00	92009.00	32533.00	21792.00	68323.00	66058.00	27112.00	25082.00	43102.00	40171.00
l-2-hydroxy-decanoic acid Esi+4.7409987	30811.00	23615.00	21754.00	27841.00	23833.00	34692.00	16339.00	19813.00	14264.00	32715.00	33606.00	10327.00	22370.00	39811.00	19985.00	11674.00	9918.00	21708.00	22218.00	14320.00	11485.00	56243.00	18563.00	7544.00	44181.00	13752.00	27724.00	26139.00	27069.00	15817.00
N1,N4-Diacetylsulfanilamide	35735.00	35732.00	34747.00	34359.00	56141.00	50430.00	55729.00	49027.00	30298.00	56386.00	47433.00	33744.00	28953.00	34417.00	32866.00	51484.00	33092.00	34814.00	28745.00	51570.00	31958.00	54366.00	31804.00	54510.00	33604.00	31756.00	46895.00	31111.00	44998.00	26898.00
Furmecyclox	35653.00	11503.00	33387.00	17748.00	14696.00	11051.00	19115.00	47902.00	10754.00	27542.00	19983.00	37209.00	39314.00	23585.00	7955.00	7187.00	5351.00	40180.00	20853.00	14697.00	22035.00	18259.00	9577.00	6736.00	16441.00	16774.00	26489.00	11609.00	11208.00	44534.00
Furmecyclox Esi+3.208	48869.00	47328.00	45048.00	43888.00	45153.00	49967.00	42730.00	50909.00	48445.00	46758.00	59601.00	47809.00	50602.00	37652.00	48774.00	50615.00	48863.00	50097.00	51540.00	43323.00	51822.00	55398.00	53908.00	39156.00	53349.00	52693.00	43368.00	46779.00	52305.00	45658.00
2'-Hydroxy-2,4',6'-trimethoxychalcone Esi+6.201999	9975.00	18344.00	13763.00	15364.00	35192.00	22964.00	35721.00	32486.00	18860.00	45584.00	11149.00	13732.00	15287.00	15937.00	24707.00	23976.00	26766.00	25579.00	23831.00	35870.00	8347.00	21346.00	10497.00	25521.00	22549.00	15860.00	24110.00	27192.00	31867.00	16429.00
C12 H26 O3	46099.00	46889.00	50900.00	49522.00	51427.00	46418.00	42873.00	44632.00	43624.00	51383.00	55395.00	54007.00	45355.00	50936.00	42582.00	39216.00	43288.00	43858.00	52201.00	48763.00	49109.00	56811.00	55569.00	42147.00	48280.00	51006.00	40159.00	54076.00	52128.00	56940.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate Esi+9.47	30789.00	39278.00	32936.00	32347.00	48369.00	40017.00	46260.00	41724.00	32853.00	45194.00	38405.00	33809.00	29685.00	29083.00	32002.00	36090.00	33368.00	27482.00	26033.00	37631.00	24505.00	45558.00	29920.00	40157.00	30990.00	24076.00	35899.00	27757.00	33324.00	19728.00
C29 H55 N8 O3	15840.00	15502.00	14829.00	15112.00	14835.00	20027.00	14830.00	14479.00	14578.00	18980.00	21645.00	71266.00	17333.00	15053.00	14578.00	14640.00	15383.00	18869.00	14840.00	13558.00	16879.00	16532.00	15603.00	20661.00	17758.00	14351.00	12611.00	15031.00	17044.00	18610.00
PC(16:0/9:0(CHO)) Esi+12.670997	153527.00	47292.00	322143.00	22735.00	8708.00	6186.00	20264.00	24517.00	47311.00	40187.00	24417.00	7572.00	156689.00	34655.00	26320.00	67955.00	13747.00	13136.00	15639.00	15594.00	28417.00	33582.00	88119.00	7310.00	9856.00	15024.00	94222.00	37925.00	11000.00	23259.00
2(3H)-Furanone Esi+1.528	23682.00	12557.00	30717.00	3377.00	13917.00	15924.00	33949.00	25817.00	8592.00	40245.00	66679.00	10839.00	18444.00	15905.00	18351.00	13557.00	14433.00	22508.00	19201.00	21591.00	19373.00	18982.00	12264.00	34137.00	22740.00	16657.00	26274.00	13295.00	6216.00	40037.00
3,9-Hexadecadiynoic acid	54528.00	55079.00	57877.00	57825.00	53111.00	54979.00	51566.00	47994.00	52084.00	56279.00	53256.00	58899.00	52227.00	55322.00	53322.00	54487.00	51540.00	53032.00	51901.00	54802.00	60537.00	58825.00	55287.00	52420.00	60846.00	52252.00	48059.00	49871.00	55167.00	52307.00
Neral Esi+10.354003	4702.00	3520.00	3776.00	4179.00	4151.00	16675.00	8457.00	5506.00	3718.00	5265.00	4778.00	8085.00	9579.00	7549.00	5176.00	6048.00	10779.00	14647.00	4900.00	7484.00	9104.00	7774.00	6491.00	51308.00	5668.00	40486.00	4214.00	6245.00	5509.00	5596.00
MG(20:1(11Z)/0:0/0:0)	9344.00	10207.00	9566.00	12598.00	9701.00	8742.00	8837.00	8699.00	8887.00	9928.00	8918.00	10862.00	12092.00	9471.00	8662.00	8848.00	10179.00	9284.00	6933.00	8375.00	10489.00	8499.00	8233.00	8405.00	9174.00	45243.00	9472.00	8786.00	8737.00	8992.00
4-Oxovalproic acid	64900.00	63598.00	90161.00	71427.00	27143.00	41503.00	43499.00	55720.00	26396.00	64170.00	35538.00	83019.00	60343.00	43721.00	62145.00	39097.00	25640.00	41500.00	105557.00	91663.00	28040.00	47614.00	15838.00	59549.00	61245.00	41021.00	59545.00	66525.00	17706.00	180700.00
C36 H55 N10 O3	32377.00	10873.00	58986.00	1.00	1.00	1.00	1.00	5507.00	8302.00	3272.00	1.00	1.00	22965.00	9109.00	1.00	11645.00	1.00	1.00	1.00	1.00	5497.00	8287.00	18947.00	1.00	1.00	1.00	10981.00	6147.00	1.00	1.00
PC(16:1(7Z)/18:2(9Z,12Z))[U]	212313.00	237424.00	141157.00	184900.00	148476.00	33402.00	67364.00	65081.00	39607.00	680676.00	115562.00	100275.00	29130.00	46793.00	29778.00	5206.00	4444.00	341850.00	121291.00	203447.00	327205.00	326996.00	51467.00	60336.00	280011.00	291558.00	100668.00	302278.00	114073.00	462134.00
2-(3'-Methylthio)propylmalic acid Esi+13.660002	36844.00	37043.00	40254.00	30186.00	31182.00	32337.00	25306.00	29763.00	25856.00	22642.00	36439.00	40057.00	25276.00	27279.00	25829.00	24072.00	22324.00	25186.00	23162.00	24752.00	37308.00	34822.00	31302.00	36857.00	27683.00	24063.00	25055.00	24455.00	23520.00	21674.00
?-D-Glucose Esi+0.90100044	69959.00	30942.00	50970.00	42242.00	62458.00	69148.00	48255.00	59243.00	59508.00	58938.00	46168.00	38683.00	47974.00	43996.00	49170.00	1.00	33934.00	38114.00	59589.00	39549.00	52155.00	50174.00	19613.00	43092.00	41196.00	62076.00	69653.00	20610.00	54737.00	56360.00
2-Amino-2-methyl-1-propanol	29577.00	30305.00	43697.00	29157.00	32227.00	41639.00	36103.00	22469.00	28127.00	23613.00	52747.00	41809.00	32048.00	45390.00	52757.00	11826.00	36650.00	27289.00	34748.00	82705.00	31949.00	56808.00	78354.00	30734.00	56011.00	71491.00	27952.00	28342.00	48840.00	39001.00
trans-2-Phenylcyclopropanecarboxylic acid Esi+11.651	100865.00	104340.00	94330.00	117676.00	49189.00	95107.00	100476.00	111684.00	105939.00	99145.00	102009.00	134850.00	107524.00	100885.00	103525.00	90528.00	97250.00	95197.00	93759.00	105806.00	109216.00	101680.00	89430.00	103377.00	106946.00	107422.00	45065.00	107222.00	103400.00	109645.00
Theobromine	3752.00	1.00	1.00	9428.00	6928.00	51003.00	20249.00	1.00	7072.00	8542.00	5989.00	1.00	6543.00	7497.00	5334.00	1.00	1.00	5232.00	1.00	4940.00	20086.00	1.00	3885.00	7865.00	7320.00	8029.00	1.00	1.00	8013.00	11133.00
Tyr Ala Val	1.00	1.00	1.00	5896.00	1.00	21988.00	17190.00	6667.00	1.00	6658.00	1.00	28482.00	22840.00	16045.00	12384.00	46871.00	41657.00	18797.00	1.00	72058.00	33213.00	14778.00	23179.00	24846.00	1.00	72009.00	1.00	1.00	12355.00	4440.00
Hymenoflorin	41068.00	33161.00	37749.00	34054.00	31391.00	28165.00	44662.00	36473.00	27545.00	42064.00	33342.00	26981.00	27508.00	48378.00	33247.00	27003.00	40595.00	22437.00	29698.00	31509.00	28448.00	29207.00	28734.00	41418.00	37565.00	30039.00	28570.00	27976.00	28237.00	36125.00
cyclohexylammonium	36953.00	36855.00	28463.00	35741.00	34752.00	43674.00	45944.00	38949.00	40326.00	33537.00	35408.00	35195.00	32336.00	36315.00	33963.00	33743.00	40055.00	49535.00	32535.00	34974.00	29447.00	34379.00	40336.00	26538.00	37471.00	55575.00	44330.00	36329.00	26731.00	46591.00
C16 H34 O3	30413.00	38886.00	41232.00	37533.00	37375.00	29989.00	39831.00	35940.00	31834.00	36471.00	32737.00	43648.00	30991.00	34125.00	29586.00	35677.00	49002.00	37965.00	30161.00	39561.00	35162.00	34029.00	46416.00	40107.00	32974.00	43170.00	33511.00	41941.00	38629.00	42501.00
cis-Caryophyllene Esi+10.088997	5780.00	6465.00	3698.00	3662.00	4449.00	34503.00	19489.00	7995.00	7322.00	7118.00	4455.00	4973.00	22818.00	14377.00	9540.00	8396.00	10967.00	36168.00	8832.00	13791.00	3902.00	5503.00	5079.00	49485.00	23539.00	43568.00	5291.00	22053.00	5737.00	7987.00
C17 H33 N O5	47729.00	8602.00	33661.00	1.00	6850.00	9555.00	10093.00	3173.00	1.00	15758.00	21727.00	10935.00	33438.00	14674.00	1.00	16065.00	7309.00	26507.00	15385.00	3407.00	1.00	35830.00	1.00	41834.00	9884.00	1.00	8326.00	7515.00	1.00	7513.00
12-oxo-10Z-octadecenoic acid	38797.00	43099.00	44530.00	44768.00	35640.00	32993.00	41283.00	49775.00	32502.00	30657.00	40889.00	43315.00	50292.00	35924.00	34390.00	35803.00	34893.00	36328.00	31965.00	33673.00	37409.00	34044.00	35538.00	45262.00	42996.00	40915.00	45412.00	33792.00	36991.00	48275.00
C27 H55 N8 O10	31521.00	20731.00	25556.00	24600.00	26630.00	25947.00	25958.00	44992.00	24306.00	24811.00	25635.00	26542.00	26376.00	24693.00	25543.00	24912.00	24570.00	24770.00	22095.00	24850.00	26053.00	23783.00	26428.00	21912.00	26122.00	23579.00	25352.00	24006.00	22912.00	52520.00
Fibrin	1.00	37580.00	1.00	1.00	79715.00	1.00	1.00	1.00	1.00	129873.00	1.00	79770.00	97854.00	24541.00	27942.00	1.00	26550.00	43192.00	1.00	37148.00	1.00	22260.00	7387.00	1.00	54515.00	45957.00	87114.00	38846.00	12852.00	142233.00
C16 H38 N7 O15	42106.00	45297.00	46456.00	37680.00	37230.00	35049.00	41939.00	36829.00	31307.00	36503.00	41078.00	37361.00	34294.00	33157.00	39065.00	1.00	34514.00	37179.00	34049.00	40796.00	40898.00	38668.00	16385.00	33888.00	34896.00	34135.00	39470.00	38296.00	22895.00	32776.00
7(Z)-Tricosene	6289.00	8184.00	7753.00	8311.00	6996.00	5132.00	6405.00	7589.00	6092.00	6230.00	7147.00	48805.00	8027.00	6147.00	6446.00	6530.00	5817.00	5333.00	7444.00	8002.00	9578.00	6823.00	6607.00	17898.00	9359.00	9912.00	29006.00	8541.00	6452.00	9938.00
C21 H52 N16 O4	41023.00	43071.00	41639.00	41734.00	32896.00	35440.00	38154.00	52649.00	36264.00	34989.00	44020.00	42604.00	50517.00	34596.00	33644.00	42229.00	33434.00	34920.00	31904.00	34184.00	38085.00	37738.00	38371.00	45302.00	40745.00	43423.00	44382.00	37081.00	36528.00	49388.00
5-Hydroxymethyl-2-furaldehyde	22926.00	24944.00	26302.00	38640.00	21335.00	25996.00	24641.00	23302.00	24046.00	32289.00	22484.00	23700.00	43675.00	20946.00	22017.00	23140.00	24949.00	23248.00	25724.00	23670.00	26482.00	21670.00	21860.00	30437.00	23963.00	50523.00	22149.00	22646.00	23205.00	21131.00
Chlorohydroquinone	21188.00	20547.00	21458.00	23109.00	26102.00	22984.00	22940.00	27145.00	17987.00	16605.00	53301.00	33982.00	23929.00	20233.00	25138.00	30571.00	28646.00	16194.00	17644.00	17157.00	35553.00	26160.00	13239.00	24705.00	25383.00	21287.00	16723.00	17062.00	27359.00	13403.00
Tussilagine	142596.00	135695.00	154258.00	30648.00	132849.00	1.00	120156.00	190412.00	99275.00	344877.00	176205.00	100634.00	1.00	195380.00	123033.00	183554.00	17013.00	126489.00	129031.00	25939.00	127021.00	8374.00	1.00	106817.00	140651.00	146935.00	158780.00	102683.00	1.00	73194.00
C15 H19 N14 O2 S	40891.00	45495.00	49362.00	39682.00	35274.00	27046.00	38726.00	38302.00	30223.00	39063.00	38844.00	33057.00	29431.00	31423.00	34956.00	1.00	28133.00	35271.00	33483.00	38759.00	36663.00	31997.00	22471.00	33951.00	30871.00	29352.00	37198.00	35265.00	21803.00	36105.00
Ulifloxacin	16010.00	48026.00	31828.00	21353.00	32145.00	14753.00	24313.00	31029.00	16444.00	17467.00	40642.00	37303.00	22302.00	30443.00	16061.00	1.00	9944.00	32573.00	11585.00	10213.00	30362.00	22344.00	5727.00	28350.00	17360.00	30386.00	29226.00	4715.00	5437.00	16690.00
N-methylundec-10-enamide	42755.00	42014.00	45166.00	43013.00	39468.00	44898.00	42921.00	41726.00	38505.00	39608.00	40163.00	46726.00	44959.00	44879.00	38779.00	42270.00	42975.00	45975.00	41550.00	41943.00	44758.00	46063.00	45734.00	41901.00	42732.00	48851.00	34655.00	43811.00	38817.00	48957.00
Neral Esi+10.1690035	9199.00	5199.00	4624.00	3844.00	5431.00	28100.00	15594.00	6410.00	5249.00	7317.00	4033.00	4886.00	21965.00	11125.00	6777.00	7416.00	7707.00	27576.00	8182.00	10769.00	3876.00	6052.00	4533.00	48393.00	17111.00	46491.00	4645.00	18271.00	6499.00	6965.00
DNOC	33838.00	50702.00	33971.00	36210.00	33752.00	17897.00	29055.00	29416.00	21439.00	25678.00	33152.00	37135.00	21441.00	36511.00	15652.00	1.00	9729.00	32046.00	15950.00	15323.00	32072.00	25895.00	9070.00	31877.00	19271.00	38593.00	31994.00	5297.00	8915.00	35135.00
C17 H37 N20 O3	17618.00	1.00	32955.00	1.00	1.00	1.00	1.00	1.00	8740.00	6943.00	1.00	1.00	34872.00	1.00	12542.00	36424.00	1.00	1.00	1.00	1.00	11717.00	4134.00	11321.00	1.00	1.00	1.00	8295.00	1.00	1.00	1.00
3-Hydroxy-1-indanone Esi+10.566002	41560.00	40097.00	42817.00	38922.00	39562.00	42885.00	39429.00	44530.00	40808.00	39809.00	40239.00	42543.00	45646.00	36973.00	45254.00	40396.00	39651.00	43667.00	36960.00	39282.00	37513.00	37588.00	38765.00	49044.00	39508.00	55079.00	40645.00	38806.00	38364.00	40526.00
dodecanamide	26997.00	26286.00	31616.00	35636.00	25802.00	25993.00	34015.00	35043.00	26394.00	34627.00	29196.00	39165.00	36166.00	32628.00	23615.00	35051.00	29881.00	34044.00	29962.00	40260.00	43348.00	35659.00	35510.00	26168.00	29324.00	29929.00	26978.00	24366.00	29587.00	51023.00
5-Hydroxyectoine	4654.00	14152.00	33736.00	16283.00	48586.00	11912.00	9251.00	24828.00	8061.00	23549.00	29311.00	13143.00	43190.00	4314.00	13346.00	1.00	20804.00	15570.00	14497.00	5799.00	20196.00	14207.00	3036.00	14156.00	14721.00	12494.00	15357.00	4411.00	7565.00	14608.00
(6S)-dehydrovomifoliol	45632.00	40445.00	49592.00	47986.00	46807.00	45329.00	48461.00	48817.00	45400.00	49154.00	39930.00	47558.00	46549.00	44973.00	47388.00	48752.00	51157.00	51303.00	47949.00	48970.00	42232.00	45108.00	45825.00	47643.00	47796.00	46601.00	43303.00	49175.00	52568.00	47252.00
Sulfabenzamide	45829.00	48242.00	38603.00	41764.00	46275.00	40829.00	32847.00	30759.00	29930.00	29139.00	49786.00	54247.00	34580.00	35413.00	35081.00	32906.00	34142.00	29788.00	28110.00	25777.00	51008.00	44664.00	41369.00	45414.00	40650.00	31025.00	28342.00	28854.00	28375.00	24446.00
Val Lys Phe	45159.00	40139.00	47722.00	41571.00	40502.00	42888.00	40732.00	40122.00	41690.00	41138.00	37227.00	41773.00	43256.00	41278.00	41996.00	41237.00	40747.00	42307.00	42859.00	40186.00	42666.00	42755.00	42039.00	41783.00	40988.00	42227.00	37894.00	37834.00	40097.00	43497.00
C14 H27 N O3	8526.00	3693.00	8576.00	4629.00	5137.00	1.00	5680.00	8986.00	3730.00	4650.00	4228.00	28213.00	9372.00	5403.00	3720.00	3938.00	7796.00	43837.00	5655.00	3608.00	4893.00	5088.00	3402.00	3178.00	4931.00	4985.00	6036.00	4621.00	4317.00	12860.00
2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-2,4-dienoate	18856.00	22547.00	20509.00	22503.00	21721.00	14969.00	19427.00	19315.00	22810.00	18981.00	17835.00	28111.00	20002.00	18301.00	22459.00	17925.00	19738.00	17367.00	18297.00	18740.00	20875.00	19086.00	22723.00	21933.00	21290.00	18432.00	14631.00	20260.00	19189.00	20973.00
C22 H50 N23	38889.00	45045.00	41704.00	41988.00	33582.00	34357.00	39381.00	48250.00	32487.00	33846.00	44166.00	43816.00	46997.00	33241.00	34076.00	36528.00	32680.00	32121.00	30269.00	30316.00	39895.00	35047.00	36316.00	42714.00	42290.00	40115.00	42922.00	29704.00	31346.00	45439.00
2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate Esi+10.942996	26968.00	36887.00	22744.00	28845.00	50156.00	30166.00	30979.00	20861.00	13598.00	17982.00	45588.00	35166.00	16172.00	21653.00	15738.00	16196.00	14747.00	16326.00	8948.00	15771.00	24428.00	35604.00	15603.00	34687.00	23634.00	12635.00	17727.00	11059.00	11518.00	5857.00
C34 H38 N9 O	28528.00	49016.00	36736.00	31800.00	32037.00	16229.00	31762.00	32548.00	21126.00	30203.00	40441.00	26117.00	23901.00	26403.00	17117.00	14276.00	8023.00	19078.00	18601.00	20698.00	19553.00	36315.00	22069.00	36263.00	27731.00	18568.00	30023.00	25686.00	19220.00	24954.00
C29 H43 N5 O11	23388.00	39645.00	50204.00	17789.00	35761.00	15394.00	20649.00	28372.00	24886.00	18868.00	9240.00	37061.00	41500.00	22080.00	44490.00	41055.00	26796.00	27335.00	24319.00	22344.00	19393.00	23249.00	35599.00	18107.00	8239.00	26041.00	24485.00	21201.00	17610.00	16564.00
di-trans,poly-cis-Octaprenyl diphosphate	26743.00	24274.00	25006.00	21061.00	19343.00	19263.00	20776.00	18221.00	16348.00	17313.00	29302.00	30481.00	36869.00	31469.00	19866.00	18439.00	18705.00	19244.00	9067.00	17249.00	28639.00	22897.00	22500.00	19460.00	19183.00	21173.00	11278.00	16914.00	22418.00	23644.00
C11 H21 N O2	43239.00	35116.00	29295.00	84202.00	29758.00	80489.00	45282.00	71084.00	5745.00	33971.00	31050.00	54580.00	46809.00	34901.00	13963.00	59407.00	87684.00	81520.00	29098.00	133138.00	34694.00	57216.00	41834.00	19968.00	35752.00	93066.00	37957.00	25960.00	42378.00	114922.00
17beta-Acetamidoandrost-4-en-3-one	44362.00	49663.00	44706.00	51300.00	39583.00	43043.00	46347.00	59093.00	39223.00	36046.00	45619.00	48424.00	56620.00	38948.00	36905.00	41379.00	38124.00	36700.00	35022.00	38323.00	45213.00	43856.00	41638.00	51883.00	48077.00	47892.00	52301.00	36755.00	38496.00	55990.00
L-Leucine	47149.00	60600.00	40150.00	51216.00	37422.00	49549.00	29152.00	66394.00	40238.00	48874.00	34831.00	22446.00	29847.00	33934.00	37641.00	19070.00	12234.00	42098.00	34146.00	29149.00	24628.00	25000.00	14963.00	43736.00	33991.00	42415.00	52945.00	16614.00	16783.00	49104.00
HMB-Val-Ser-Leu-VE	7711.00	17429.00	39879.00	9635.00	19556.00	7054.00	8313.00	22961.00	14817.00	7085.00	1.00	17543.00	11355.00	9173.00	8542.00	17282.00	5995.00	9198.00	6932.00	7945.00	11378.00	11112.00	10090.00	7607.00	1.00	9819.00	8978.00	8203.00	7402.00	6901.00
C22 H52 N26	28020.00	39108.00	34161.00	39228.00	30258.00	27233.00	31779.00	41400.00	24672.00	24891.00	33562.00	35283.00	42959.00	27906.00	26479.00	29762.00	24711.00	28513.00	22535.00	26269.00	32773.00	29113.00	27862.00	34628.00	32239.00	34304.00	37469.00	27141.00	28859.00	40615.00
C10 H16 O5	26441.00	24916.00	29756.00	30153.00	26630.00	28938.00	31036.00	28375.00	28671.00	27879.00	27129.00	31132.00	32827.00	28208.00	24663.00	25952.00	28218.00	32372.00	29186.00	24261.00	26207.00	31574.00	31967.00	26921.00	43721.00	36657.00	31020.00	30707.00	27690.00	49638.00
Sophoracoumestan B	42085.00	34290.00	38004.00	46771.00	29007.00	34516.00	31324.00	37166.00	35782.00	31056.00	32708.00	45116.00	35786.00	38128.00	26664.00	21626.00	32759.00	40715.00	35197.00	32084.00	34501.00	36680.00	18564.00	30964.00	39586.00	27466.00	28637.00	25838.00	24709.00	27134.00
PE(18:1(9Z)/18:1(11Z))	56059.00	57270.00	49766.00	56725.00	54706.00	45136.00	48344.00	44839.00	44987.00	47179.00	59381.00	62308.00	48394.00	57163.00	52811.00	52191.00	46631.00	46979.00	47781.00	44207.00	49575.00	45978.00	52910.00	51864.00	48284.00	45106.00	41652.00	49467.00	45446.00	44774.00
Pirbuterol Esi+1.2760006	32903.00	5946.00	9262.00	7885.00	18006.00	1.00	6641.00	5814.00	8535.00	6330.00	1.00	44299.00	6059.00	5243.00	1.00	5599.00	3374.00	6947.00	4016.00	5412.00	9767.00	4389.00	1.00	4865.00	1.00	3568.00	6506.00	3222.00	1.00	5465.00
Furmecyclox Esi+3.7720015	70365.00	54912.00	62157.00	69308.00	70722.00	64567.00	75364.00	26782.00	72703.00	64169.00	87565.00	27623.00	68909.00	78035.00	65810.00	83316.00	62208.00	92346.00	92439.00	66999.00	63235.00	33997.00	90670.00	23323.00	83128.00	69409.00	65017.00	23271.00	29649.00	64044.00
cholest-5,24-dien-3beta-ol 3-O-beta-D-glucopyranoside	48682.00	47603.00	51821.00	48649.00	48665.00	47750.00	45502.00	48484.00	45400.00	47535.00	48747.00	51485.00	43817.00	46022.00	47122.00	42067.00	45456.00	45201.00	37465.00	43290.00	50569.00	48449.00	46580.00	48709.00	47555.00	43317.00	44052.00	45076.00	41327.00	48588.00
2E,4E,8E,10E-Dodecatetraenedioic acid	35207.00	33607.00	34738.00	37177.00	34286.00	34835.00	34954.00	34857.00	34622.00	36400.00	41953.00	38585.00	34953.00	35472.00	34502.00	34558.00	35946.00	28217.00	36333.00	33678.00	38568.00	33674.00	36720.00	34479.00	39995.00	34392.00	30230.00	36455.00	35893.00	37544.00
trans-2-Phenylcyclopropanecarboxylic acid Esi+11.651 :1	94549.00	106186.00	95043.00	117676.00	48620.00	94899.00	106399.00	111148.00	106745.00	98545.00	102337.00	134935.00	108235.00	100885.00	104571.00	89987.00	97256.00	100600.00	93476.00	106328.00	109471.00	99808.00	49972.00	103377.00	97713.00	107377.00	98289.00	107292.00	103701.00	109645.00
Desflurane	14822.00	24719.00	19955.00	11067.00	24819.00	20550.00	17591.00	21068.00	20365.00	18219.00	47581.00	29573.00	22186.00	10913.00	21155.00	27462.00	28756.00	20637.00	20364.00	11301.00	28078.00	26822.00	16252.00	24598.00	27126.00	25263.00	21904.00	12040.00	25368.00	11734.00
C25 H34 N17 O3	9151.00	42927.00	12245.00	49914.00	3902.00	4064.00	24212.00	17281.00	9163.00	39381.00	9537.00	15180.00	1.00	33276.00	7841.00	1.00	1.00	17087.00	25192.00	21280.00	11009.00	3944.00	1.00	16931.00	39025.00	36093.00	3533.00	30262.00	3525.00	42835.00
His Pro	28358.00	25492.00	27430.00	34625.00	28169.00	38211.00	28587.00	49076.00	25844.00	30340.00	28566.00	27055.00	31765.00	30146.00	34553.00	33206.00	34572.00	30265.00	26754.00	37034.00	35353.00	41668.00	31680.00	22082.00	35997.00	41241.00	27247.00	28536.00	34681.00	43347.00
C10 H11 N O2	9731.00	22675.00	26345.00	16161.00	11290.00	21498.00	10998.00	29515.00	12711.00	16797.00	15839.00	17851.00	21700.00	18308.00	13347.00	7529.00	7495.00	10154.00	18122.00	27320.00	33888.00	20131.00	6288.00	18550.00	43368.00	15156.00	10093.00	21095.00	8435.00	44336.00
C7 H6	22554.00	22881.00	25652.00	33627.00	24539.00	27515.00	23454.00	26943.00	22088.00	36071.00	23440.00	24988.00	43876.00	21503.00	24790.00	22115.00	22572.00	23726.00	24151.00	21177.00	24981.00	22251.00	22237.00	26956.00	23868.00	47655.00	23679.00	22679.00	22491.00	23854.00
C28 H60 N O10	37870.00	43430.00	39079.00	40887.00	35655.00	35335.00	41066.00	47738.00	38598.00	28689.00	44140.00	42961.00	44872.00	33802.00	36112.00	37135.00	37134.00	35470.00	28850.00	34357.00	34358.00	35686.00	36972.00	42191.00	40082.00	42405.00	41881.00	35162.00	38382.00	44483.00
N-Oleoyl-L-Serine Esi+10.304996	11783.00	23188.00	15530.00	6257.00	1.00	6919.00	5875.00	6060.00	1.00	11002.00	13213.00	1.00	10476.00	16215.00	1.00	5079.00	14276.00	12752.00	4788.00	6746.00	6372.00	5493.00	1.00	41299.00	8431.00	1.00	3586.00	5617.00	3376.00	12987.00
3',5'-Cyclic AMP	43339.00	40402.00	46504.00	43015.00	44225.00	43130.00	44419.00	43966.00	38058.00	42836.00	40954.00	45607.00	42309.00	37283.00	43758.00	43910.00	39933.00	43943.00	43888.00	42781.00	45167.00	43478.00	43718.00	35355.00	44154.00	42376.00	43578.00	40900.00	41945.00	40059.00
Dichamanetin	50466.00	27585.00	48536.00	12881.00	68823.00	35368.00	41214.00	31943.00	27086.00	45070.00	43077.00	14457.00	59013.00	31906.00	28245.00	91426.00	41956.00	9343.00	8215.00	30703.00	24971.00	64296.00	40613.00	51605.00	24515.00	8552.00	71863.00	20127.00	33707.00	3887.00
Piperidine	15481.00	8241.00	7651.00	8935.00	11141.00	18446.00	10809.00	8724.00	10192.00	6759.00	8285.00	9625.00	10296.00	8613.00	12696.00	19148.00	8252.00	10432.00	9359.00	8743.00	10151.00	43510.00	11119.00	8027.00	16231.00	28064.00	10774.00	9386.00	17089.00	9678.00
C12 H24 O8	20442.00	21979.00	23973.00	24059.00	23672.00	21503.00	22017.00	46277.00	19698.00	21712.00	28764.00	23068.00	24665.00	18822.00	25678.00	23634.00	23135.00	20324.00	22745.00	21732.00	26262.00	21975.00	22489.00	20190.00	23419.00	25376.00	23256.00	21733.00	21628.00	29981.00
7R-hydroxy-octanoic acid	29211.00	31047.00	36940.00	33426.00	30386.00	30410.00	21298.00	24130.00	23096.00	30345.00	45414.00	28703.00	31071.00	30589.00	28953.00	25313.00	26386.00	49397.00	28730.00	24004.00	37637.00	33906.00	39016.00	20684.00	32747.00	20809.00	28597.00	34480.00	36848.00	29400.00
2-(3-chlorobenzamido)acetic acid	31034.00	37236.00	17815.00	25169.00	32149.00	71335.00	19973.00	69316.00	67539.00	12947.00	27611.00	22607.00	7928.00	20118.00	40192.00	26916.00	17480.00	14604.00	27520.00	33851.00	31892.00	55784.00	46801.00	15896.00	32643.00	58080.00	37218.00	1.00	45432.00	40313.00
1,4-Dioxane	22271.00	17528.00	16038.00	17672.00	12831.00	27551.00	15480.00	18685.00	12492.00	22872.00	23352.00	16363.00	23706.00	27311.00	23754.00	19034.00	13077.00	17901.00	17548.00	18039.00	10897.00	35763.00	17881.00	14438.00	25548.00	16773.00	17930.00	18953.00	23830.00	12232.00
C5 H2 N O9 S	13766.00	25132.00	16584.00	6617.00	15248.00	14136.00	8515.00	38148.00	16475.00	14498.00	35724.00	16316.00	20531.00	18856.00	12360.00	21115.00	12863.00	20842.00	29221.00	15345.00	16404.00	17556.00	7940.00	15710.00	29810.00	26800.00	21114.00	13782.00	13938.00	14025.00
PC(15:1(9Z)/18:3(6Z,9Z,12Z))	29826.00	37449.00	37350.00	58094.00	16451.00	9160.00	27429.00	45865.00	27217.00	48237.00	14605.00	8727.00	13353.00	31095.00	9146.00	1.00	1.00	16400.00	24970.00	23024.00	16762.00	21786.00	11675.00	35611.00	31013.00	36105.00	32364.00	39920.00	12383.00	59246.00
LysoPC(16:0) Esi+11.401	11175.00	12228.00	40929.00	13782.00	3760.00	7055.00	10646.00	24720.00	18053.00	16287.00	21022.00	8218.00	20139.00	14527.00	8899.00	7156.00	1.00	8308.00	16642.00	11595.00	5816.00	23854.00	12830.00	9570.00	9398.00	21812.00	13514.00	20433.00	8733.00	33003.00
C31 H10 N5 O3	40161.00	42360.00	39608.00	40166.00	38707.00	36770.00	30586.00	29419.00	31216.00	29253.00	42916.00	45185.00	32054.00	33455.00	33893.00	29470.00	28077.00	29895.00	27619.00	27920.00	43604.00	39282.00	35395.00	43275.00	37368.00	28421.00	28175.00	29856.00	27720.00	27024.00
LysoPC(22:6(4Z,7Z,10Z,13Z,16Z,19Z))	30177.00	13679.00	27094.00	8925.00	4782.00	4757.00	14118.00	14987.00	6581.00	46392.00	24870.00	1.00	49384.00	12759.00	18612.00	1.00	4899.00	17251.00	42599.00	19635.00	1.00	9034.00	14988.00	32914.00	12767.00	35625.00	50727.00	25853.00	6125.00	55285.00
Camptothecin Esi+12.5969925	37939.00	31597.00	33367.00	33994.00	31636.00	28645.00	28035.00	28063.00	27552.00	27845.00	31548.00	36282.00	26601.00	29414.00	34471.00	22482.00	25317.00	27154.00	22164.00	22923.00	37098.00	37646.00	29612.00	37242.00	31247.00	27494.00	23349.00	24931.00	21911.00	25292.00
Chloromebuform Esi+8.237	74830.00	64068.00	88261.00	79029.00	65036.00	90609.00	87832.00	86783.00	70746.00	74806.00	54608.00	98231.00	89030.00	93071.00	71230.00	80835.00	90785.00	87185.00	73419.00	85502.00	92699.00	94390.00	85690.00	80553.00	84741.00	95688.00	64338.00	73703.00	69079.00	89125.00
Tyr Ala Val Esi+5.578001	1.00	1.00	1.00	3807.00	1.00	12609.00	18778.00	5053.00	1.00	4081.00	1.00	14029.00	11674.00	7332.00	5501.00	22858.00	21917.00	9037.00	1.00	34013.00	17837.00	8253.00	8717.00	13160.00	1.00	42372.00	1.00	1.00	5465.00	1.00
Catechin-4beta-ol Esi+1.5639995	25786.00	17181.00	13157.00	22803.00	16401.00	15687.00	16130.00	14041.00	21183.00	12120.00	19944.00	20352.00	11137.00	11959.00	12338.00	15807.00	4485.00	14430.00	6745.00	7796.00	33367.00	16189.00	6482.00	14322.00	19662.00	14189.00	14888.00	5967.00	7135.00	11048.00
CCT018159	16244.00	18880.00	21989.00	23942.00	12895.00	9448.00	25732.00	29166.00	10701.00	42398.00	12655.00	9733.00	7361.00	17138.00	9514.00	5946.00	1.00	9749.00	13500.00	27094.00	9432.00	25898.00	9128.00	28070.00	13181.00	16471.00	27381.00	21839.00	10451.00	21268.00
1?-hydroxy-22-oxavitamin D3 / 1?-hydroxy-22-oxacholecalciferol	21004.00	28007.00	28489.00	27578.00	17429.00	15903.00	22654.00	29831.00	23353.00	36055.00	13911.00	16733.00	21398.00	23522.00	14351.00	9722.00	8114.00	23446.00	29506.00	30138.00	18093.00	19378.00	19642.00	23465.00	19180.00	23743.00	31685.00	37563.00	20103.00	42672.00
C21 H42 N2 O3	32569.00	31077.00	33665.00	31482.00	27293.00	29752.00	29069.00	31358.00	28638.00	29758.00	32154.00	33140.00	31737.00	29873.00	30251.00	31514.00	30547.00	31234.00	27733.00	32916.00	33571.00	28373.00	30370.00	29064.00	30882.00	36369.00	25309.00	29610.00	29449.00	33161.00
PC(16:0/3:1(2E))	15555.00	24662.00	43647.00	10842.00	13147.00	8049.00	8550.00	15819.00	14072.00	5559.00	4012.00	22746.00	30845.00	12994.00	22674.00	23612.00	20817.00	14454.00	11792.00	9302.00	15938.00	17710.00	24579.00	9097.00	1.00	23618.00	23742.00	14568.00	7093.00	11759.00
C9 H2 O4	34264.00	28419.00	25028.00	31929.00	12169.00	43142.00	19023.00	40497.00	48282.00	19920.00	13244.00	22092.00	16970.00	26108.00	22113.00	21195.00	4035.00	10730.00	16673.00	23266.00	24867.00	35700.00	23131.00	27515.00	27863.00	41053.00	24481.00	8255.00	38201.00	24685.00
C21 H6 N6 O7	22933.00	1.00	1.00	1.00	1.00	38317.00	7332.00	1.00	1.00	21043.00	1.00	1.00	1.00	1.00	7363.00	12152.00	1.00	1.00	10486.00	14373.00	13470.00	1.00	10806.00	29839.00	1.00	1.00	5171.00	1.00	1.00	14830.00
2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine	36090.00	37811.00	30648.00	32090.00	34216.00	31419.00	23575.00	24563.00	25030.00	22421.00	38769.00	38742.00	25679.00	26565.00	25368.00	24169.00	23412.00	23834.00	21203.00	21361.00	38867.00	34045.00	30991.00	35159.00	32275.00	24496.00	21186.00	23185.00	21908.00	21115.00
Beta-isorenieratane	42022.00	40051.00	37249.00	37461.00	38633.00	36136.00	37404.00	37557.00	38115.00	37422.00	41237.00	41930.00	39183.00	37514.00	38018.00	36736.00	38561.00	37877.00	32803.00	34721.00	42162.00	40285.00	40287.00	38673.00	39822.00	29416.00	35219.00	37798.00	37068.00	35926.00
3-(Uracil-1-yl)-L-alanine	35233.00	34738.00	44254.00	41405.00	26895.00	19928.00	28008.00	33492.00	32049.00	45674.00	25810.00	28825.00	30899.00	22488.00	22538.00	1.00	12949.00	25611.00	35178.00	31369.00	30932.00	16211.00	4355.00	38466.00	24466.00	23484.00	31433.00	26755.00	10544.00	44888.00
Malyngamide H	37936.00	34253.00	38453.00	34868.00	30109.00	28513.00	31459.00	44746.00	32642.00	43450.00	31137.00	31183.00	37018.00	32655.00	29909.00	31234.00	28414.00	34529.00	31822.00	24799.00	29331.00	28811.00	34883.00	34816.00	31080.00	30239.00	39053.00	35895.00	29534.00	41267.00
PE(13:0/18:2(9Z,12Z))	26131.00	21762.00	24565.00	21207.00	19977.00	18204.00	20914.00	20292.00	18362.00	13774.00	29759.00	29536.00	36375.00	34621.00	19327.00	19308.00	20084.00	19100.00	15260.00	19061.00	27685.00	21428.00	22989.00	19333.00	19935.00	22442.00	11680.00	16575.00	24878.00	27123.00
C12 H26 O3 Esi+7.7339983	17328.00	13609.00	10237.00	17474.00	14553.00	25882.00	8375.00	10756.00	8279.00	17669.00	19396.00	6628.00	16395.00	25315.00	11997.00	5819.00	4473.00	12558.00	12369.00	8871.00	5075.00	39027.00	11435.00	4777.00	35449.00	7049.00	12897.00	13438.00	15233.00	8048.00
2-methylbutanal oxime	26366.00	28939.00	38790.00	34597.00	26438.00	16645.00	17816.00	35072.00	25128.00	42174.00	31635.00	31416.00	35207.00	17837.00	20674.00	1.00	15461.00	22561.00	39377.00	21305.00	28081.00	16583.00	6094.00	37215.00	22316.00	24998.00	26764.00	28996.00	7143.00	47564.00
C20 H51 N14 S	22419.00	24070.00	24879.00	23624.00	24191.00	23823.00	22343.00	21153.00	21160.00	22051.00	23377.00	55725.00	23860.00	24479.00	22970.00	22488.00	20992.00	21571.00	19939.00	20629.00	25693.00	23883.00	21819.00	21414.00	23919.00	22187.00	22415.00	21726.00	23879.00	23038.00
N-palmitoyl glutamic acid	20549.00	3899.00	15328.00	1.00	1.00	3391.00	1.00	1.00	1.00	5978.00	9621.00	4024.00	14802.00	7975.00	1.00	6255.00	1.00	8648.00	5115.00	1.00	1.00	13112.00	1.00	35315.00	4711.00	1.00	1.00	1.00	1.00	1.00
2-(3-chlorobenzamido)acetic acid Esi+2.8479998	19725.00	25611.00	13502.00	19252.00	23667.00	40179.00	13287.00	50633.00	40476.00	11503.00	19805.00	20019.00	3613.00	13465.00	22364.00	15459.00	9517.00	11683.00	16516.00	20098.00	19766.00	39656.00	26417.00	13589.00	18536.00	35204.00	23627.00	1.00	23537.00	29443.00
4-(Hydroxylamino)-N,N-dimethylaniline	48156.00	75807.00	44560.00	40005.00	52755.00	38909.00	59404.00	51518.00	57047.00	63592.00	60018.00	226868.00	58247.00	37870.00	58366.00	47225.00	50646.00	127262.00	64005.00	123030.00	40288.00	60355.00	62112.00	51336.00	39789.00	34819.00	53390.00	52359.00	39241.00	40995.00
Asp-Asn-OH	29521.00	29364.00	32169.00	29095.00	24609.00	24768.00	20749.00	23392.00	21983.00	21183.00	29823.00	26749.00	22181.00	22764.00	21650.00	17631.00	20432.00	21858.00	18515.00	20370.00	30749.00	29599.00	26120.00	33030.00	24139.00	22288.00	18648.00	22831.00	17252.00	18492.00
5-methyl-octadecanoic acid	18557.00	22609.00	28844.00	25715.00	11656.00	7903.00	19619.00	26300.00	15131.00	27750.00	15823.00	12458.00	14115.00	20707.00	10484.00	6957.00	7344.00	13903.00	21511.00	21337.00	15803.00	18241.00	13887.00	19347.00	19170.00	22140.00	17356.00	26043.00	12555.00	35599.00
Pro Lys Val	13253.00	18390.00	13495.00	21036.00	12501.00	10791.00	11112.00	20180.00	10821.00	21983.00	12049.00	7905.00	10095.00	6488.00	5466.00	5747.00	1.00	8303.00	5794.00	12029.00	20197.00	6313.00	3043.00	17081.00	11012.00	18997.00	11447.00	7733.00	1.00	22731.00
C12 H3 Cl N3 S4	33336.00	30925.00	32243.00	30648.00	35373.00	35413.00	33045.00	33273.00	31182.00	30371.00	38449.00	36929.00	34489.00	29183.00	33404.00	5650.00	33303.00	32691.00	33132.00	32074.00	34859.00	32069.00	37321.00	29163.00	34697.00	31746.00	31948.00	33879.00	33744.00	29972.00
4'-Hydroxytrimethoprim	39520.00	32883.00	34463.00	36007.00	35195.00	37463.00	37460.00	37293.00	31234.00	37061.00	34012.00	43554.00	37052.00	39222.00	31063.00	33337.00	38698.00	32899.00	37754.00	36045.00	35454.00	38793.00	39641.00	32769.00	35497.00	38046.00	35641.00	37583.00	35242.00	38932.00
L-Glutamic acid n-butyl ester	27814.00	10227.00	23260.00	1.00	14252.00	17976.00	20928.00	17160.00	6042.00	30748.00	49335.00	10373.00	16360.00	14492.00	17328.00	12835.00	14005.00	21067.00	22181.00	23269.00	17451.00	18836.00	11661.00	28725.00	20095.00	15272.00	16352.00	10327.00	4483.00	27696.00
L-Lactic acid	46710.00	15857.00	18641.00	15523.00	34193.00	65523.00	24067.00	32220.00	47451.00	21697.00	26246.00	31876.00	29102.00	30295.00	31786.00	37062.00	31707.00	26270.00	31381.00	32965.00	49025.00	31326.00	22024.00	18778.00	35046.00	56117.00	36367.00	11924.00	79090.00	25063.00
L-Leucine Esi+1.9070003	58823.00	64178.00	32219.00	60180.00	46846.00	53248.00	32977.00	71572.00	50760.00	57256.00	26573.00	32089.00	33885.00	40833.00	40406.00	21767.00	16720.00	62237.00	44648.00	23526.00	35065.00	36439.00	15230.00	52548.00	32404.00	32900.00	61284.00	14242.00	18265.00	56476.00
C4 H9 N	27535.00	20441.00	17046.00	20590.00	22425.00	20688.00	14519.00	26844.00	18490.00	23122.00	19268.00	11685.00	14521.00	16146.00	14025.00	11063.00	6406.00	15277.00	14592.00	11226.00	17945.00	11381.00	7475.00	18787.00	11120.00	17960.00	20093.00	6966.00	10578.00	18161.00
Niacinamide Esi+1.6850004	19388.00	24378.00	26378.00	21378.00	24025.00	19292.00	21838.00	26285.00	29910.00	27222.00	32662.00	23550.00	25879.00	29675.00	15235.00	11139.00	3866.00	19120.00	24262.00	17849.00	40253.00	15066.00	7107.00	39568.00	24232.00	20984.00	17207.00	20597.00	5712.00	24794.00
C32 H60 N15 O3	33152.00	43685.00	36459.00	40334.00	26669.00	29703.00	33219.00	44969.00	27589.00	24147.00	36073.00	39545.00	46791.00	30085.00	29611.00	27006.00	28990.00	26499.00	25892.00	29950.00	33649.00	30924.00	31684.00	38814.00	33850.00	37285.00	40323.00	26407.00	29092.00	42532.00
C25 H45 N	33946.00	31144.00	31597.00	32124.00	31054.00	30477.00	31344.00	32742.00	30996.00	35094.00	30777.00	29308.00	32481.00	30322.00	34978.00	30739.00	30345.00	31851.00	30489.00	33351.00	33476.00	34097.00	31834.00	30188.00	33499.00	31991.00	30120.00	35058.00	31098.00	32902.00
Tributyl phosphate	27974.00	29017.00	25373.00	30238.00	33658.00	32968.00	29824.00	27160.00	24609.00	30323.00	36462.00	33501.00	23573.00	33314.00	22731.00	25367.00	26818.00	33544.00	38325.00	35428.00	29501.00	32538.00	32026.00	30396.00	34353.00	38602.00	30833.00	31029.00	29052.00	43494.00
C5 H2 N O9 S Esi+0.86499983	11963.00	23180.00	13793.00	6949.00	16855.00	13087.00	9740.00	24792.00	11203.00	11622.00	36250.00	15181.00	21627.00	13273.00	14834.00	20397.00	12335.00	23376.00	20737.00	13775.00	14830.00	16712.00	1.00	17059.00	16798.00	17548.00	23909.00	13394.00	4006.00	15164.00
Pseudolaric Acid B Esi+10.114004	35324.00	33525.00	31579.00	31932.00	32537.00	24734.00	35763.00	29400.00	21686.00	35257.00	32550.00	26722.00	23950.00	36219.00	29191.00	22650.00	31174.00	17994.00	24260.00	24961.00	24996.00	27684.00	24500.00	31172.00	28635.00	21755.00	24034.00	21613.00	20780.00	26523.00
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine Esi+0.8449998	34368.00	227036.00	23276.00	29967.00	31942.00	21432.00	36354.00	41040.00	30837.00	31621.00	26761.00	35131.00	29457.00	20616.00	19071.00	3279.00	20165.00	15460.00	26447.00	23871.00	100904.00	32748.00	6616.00	27406.00	26661.00	16593.00	22508.00	13647.00	14467.00	27714.00
Tetrahomomethionine	14284.00	24538.00	26865.00	19475.00	29470.00	19317.00	18915.00	30412.00	20388.00	24140.00	41040.00	28244.00	32325.00	15901.00	23906.00	1.00	22252.00	22688.00	26663.00	15858.00	27324.00	19668.00	8651.00	26467.00	25898.00	20845.00	22245.00	26289.00	10822.00	15350.00
dexpanthenol	46548.00	29600.00	36687.00	42081.00	17491.00	39317.00	16121.00	35191.00	15176.00	31556.00	38640.00	40211.00	35578.00	29710.00	31504.00	17002.00	34402.00	32520.00	34853.00	36679.00	17274.00	40115.00	17443.00	17304.00	43706.00	34608.00	32470.00	31871.00	35775.00	34386.00
C17 Sphinganine	28159.00	28803.00	33968.00	31481.00	22425.00	21321.00	26786.00	28658.00	23591.00	29861.00	24598.00	23496.00	27186.00	29096.00	25523.00	20186.00	22040.00	23614.00	27950.00	25798.00	26358.00	33371.00	25735.00	24446.00	27078.00	29327.00	22131.00	29936.00	19192.00	34661.00
C8 H4 O3	46332.00	48682.00	46686.00	60021.00	54195.00	40554.00	41743.00	44333.00	38361.00	45323.00	65013.00	50954.00	44701.00	45006.00	41570.00	41372.00	40227.00	46326.00	44349.00	49669.00	48624.00	51415.00	66162.00	40396.00	48638.00	44153.00	42753.00	42976.00	46328.00	48144.00
PC(22:4(7Z,10Z,13Z,16Z)/0:0)	11257.00	20628.00	29664.00	11697.00	1.00	4192.00	14460.00	12787.00	9712.00	24703.00	14357.00	7066.00	16836.00	17902.00	22110.00	5416.00	1.00	15038.00	19688.00	16710.00	3843.00	11400.00	15819.00	17143.00	12105.00	22604.00	22739.00	19431.00	7585.00	40220.00
C25 H44 N7 O	38793.00	39057.00	37675.00	37183.00	36397.00	37798.00	38185.00	38127.00	38005.00	37206.00	38684.00	52298.00	36697.00	37184.00	36585.00	33998.00	34800.00	36987.00	32735.00	33456.00	39516.00	36859.00	38227.00	37055.00	39137.00	35000.00	34973.00	34497.00	35098.00	38755.00
cholesteryl beta-D-glucoside	34276.00	39902.00	34834.00	40389.00	32715.00	30762.00	34905.00	41629.00	31322.00	27559.00	38518.00	36920.00	43266.00	31541.00	31184.00	28895.00	32257.00	29622.00	26527.00	30134.00	35041.00	34456.00	29270.00	35572.00	34929.00	37396.00	36339.00	26848.00	30316.00	39792.00
Nilutamide	24177.00	37462.00	26312.00	28942.00	22957.00	12601.00	21353.00	23086.00	14526.00	17658.00	24428.00	26434.00	13275.00	28878.00	10115.00	1.00	6708.00	24620.00	9952.00	11397.00	20018.00	16663.00	4930.00	24745.00	11815.00	28069.00	23068.00	3647.00	4412.00	26815.00
C3 H2 N2 O2 S	11967.00	14752.00	13119.00	9225.00	19016.00	14030.00	11721.00	17929.00	10382.00	10875.00	38204.00	22940.00	14493.00	9899.00	17151.00	18874.00	19884.00	10214.00	13071.00	7700.00	24676.00	16963.00	10070.00	14155.00	17381.00	10293.00	15589.00	12095.00	12598.00	3758.00
Alanine Esi+0.8840003	30392.00	10704.00	23466.00	21369.00	20646.00	27182.00	23232.00	37971.00	33909.00	33986.00	16134.00	17681.00	26421.00	22305.00	29726.00	1.00	15256.00	21181.00	40225.00	24832.00	11389.00	19804.00	10291.00	33925.00	34648.00	23638.00	40177.00	23867.00	24303.00	30631.00
Gln Pro Pro	14989.00	15735.00	15483.00	18415.00	18660.00	16570.00	16811.00	35726.00	17230.00	15399.00	17628.00	16287.00	18626.00	14259.00	17630.00	17114.00	16154.00	15373.00	15755.00	15295.00	21102.00	14923.00	17179.00	12708.00	17708.00	17840.00	17686.00	15727.00	14679.00	17344.00
C18 H38 O4	33244.00	47872.00	49939.00	49146.00	34081.00	46282.00	48317.00	40761.00	44804.00	40803.00	44627.00	53899.00	50747.00	44738.00	41716.00	48791.00	45438.00	34405.00	43276.00	43795.00	44888.00	41331.00	42190.00	35289.00	48455.00	49517.00	44168.00	42897.00	47969.00	37086.00
4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol Esi+1.0049998	1.00	1.00	3116.00	5065.00	7522.00	1.00	1.00	1.00	1.00	8263.00	10211.00	28940.00	38936.00	1.00	1.00	1.00	1.00	6402.00	18668.00	5554.00	1.00	5147.00	1.00	3941.00	8498.00	1.00	12233.00	3409.00	1.00	6839.00
AM3102	1.00	1.00	7501.00	1.00	3736.00	1.00	1.00	16263.00	1.00	4529.00	1.00	7952.00	3434.00	1.00	1.00	1.00	1.00	23111.00	1.00	4650.00	1.00	1.00	1.00	1.00	1.00	1.00	9682.00	1.00	1.00	33420.00
10-hydroxy-8E-Decene-2,4,6-triynoic acid	27762.00	28665.00	26394.00	31644.00	29649.00	29304.00	29111.00	30213.00	27988.00	30387.00	37249.00	28306.00	28849.00	29588.00	28622.00	29494.00	31871.00	27462.00	32030.00	30027.00	28975.00	27512.00	29716.00	27799.00	30484.00	27194.00	27132.00	29997.00	30207.00	29802.00
trans-2-Phenylcyclopropanecarboxylic acid Esi+8.233001	27540.00	25457.00	33793.00	30482.00	26137.00	31253.00	34782.00	34111.00	25097.00	28476.00	22464.00	37680.00	34265.00	36899.00	26240.00	29623.00	33803.00	34033.00	28960.00	32746.00	34820.00	35992.00	32954.00	30659.00	32291.00	36944.00	25368.00	28330.00	26270.00	33205.00
Tuberonic acid glucoside	21983.00	38272.00	22240.00	23810.00	19926.00	9870.00	19643.00	17292.00	8935.00	12563.00	22099.00	23715.00	8637.00	30033.00	7927.00	1.00	4224.00	22765.00	5814.00	8225.00	16539.00	16610.00	4247.00	20571.00	9511.00	23505.00	20046.00	1.00	3735.00	16495.00
PG(O-16:0/0:0)	14505.00	19028.00	17937.00	21801.00	6565.00	7768.00	16559.00	25684.00	15255.00	27434.00	8995.00	8801.00	12671.00	16841.00	6713.00	3451.00	1.00	12270.00	19886.00	18066.00	9365.00	13429.00	9883.00	18938.00	15857.00	16842.00	18429.00	25503.00	9455.00	36401.00
methyl 9,12-dihydroxy-13-oxo-10-octadecenoate	32067.00	4992.00	19270.00	1.00	3623.00	4379.00	4772.00	1.00	1.00	10068.00	11998.00	5133.00	16240.00	11975.00	1.00	9837.00	5200.00	16076.00	9044.00	1.00	3139.00	24500.00	1.00	33213.00	6432.00	1.00	5010.00	3391.00	1.00	4253.00
Dolichotheline Esi+13.263	36548.00	34395.00	93187.00	13690.00	43203.00	6880.00	20103.00	185043.00	7226.00	57133.00	21874.00	96950.00	47147.00	27868.00	3675.00	3947.00	12076.00	285335.00	21685.00	54068.00	21166.00	27230.00	7896.00	4417.00	6067.00	12588.00	111081.00	10988.00	11207.00	360250.00
15(S)-15-methyl PGF2? ethyl amide	18235.00	32223.00	18340.00	1.00	7342.00	7955.00	20083.00	10633.00	3539.00	22753.00	19982.00	6329.00	8264.00	18407.00	3836.00	4528.00	14255.00	17955.00	9665.00	14306.00	1.00	10710.00	1.00	32171.00	6373.00	4538.00	6000.00	8261.00	1.00	22006.00
4'-Apo-beta,psi-caroten-4'-al	32854.00	27906.00	32418.00	30295.00	31372.00	30129.00	28177.00	28870.00	29942.00	28016.00	33054.00	31016.00	30945.00	29237.00	29556.00	29269.00	27744.00	28761.00	26399.00	24686.00	32802.00	31873.00	31461.00	31309.00	31676.00	28123.00	28933.00	30168.00	29698.00	30231.00
3-hydroxy-dodecanedioic acid	38829.00	31535.00	44096.00	41953.00	48881.00	39297.00	47283.00	47753.00	30585.00	57166.00	77383.00	33366.00	31502.00	33962.00	31252.00	37372.00	24299.00	42434.00	46896.00	59530.00	32840.00	54187.00	24811.00	56628.00	51669.00	41771.00	50854.00	42648.00	48337.00	33848.00
Fenfuram	24929.00	24691.00	25449.00	25809.00	27831.00	27834.00	29919.00	29053.00	24245.00	31075.00	28939.00	23544.00	23411.00	25557.00	25129.00	25579.00	25228.00	20963.00	23459.00	29047.00	23070.00	27777.00	25126.00	28024.00	22834.00	25424.00	23068.00	22814.00	23720.00	22123.00
N-stearoyl glutamic acid	16989.00	3400.00	15491.00	1.00	1.00	1.00	4327.00	4360.00	1.00	8054.00	6431.00	1.00	6925.00	8946.00	1.00	3810.00	4787.00	5989.00	4317.00	1.00	1.00	15430.00	1.00	32529.00	4091.00	1.00	1.00	1.00	1.00	5253.00
MG(0:0/22:1(13Z)/0:0)	11593.00	13031.00	13934.00	17943.00	14504.00	11660.00	12592.00	11487.00	11880.00	13209.00	12057.00	14606.00	16579.00	10743.00	11251.00	11305.00	12062.00	12052.00	9927.00	11491.00	18572.00	10976.00	12781.00	12764.00	11520.00	38178.00	12167.00	12723.00	11548.00	12658.00
C12 H13 N10 S2	18469.00	30939.00	22207.00	21510.00	25780.00	15103.00	20251.00	21709.00	13896.00	17431.00	33064.00	27869.00	16550.00	23275.00	16254.00	1.00	12007.00	23724.00	13189.00	13397.00	24492.00	21416.00	9584.00	21492.00	16986.00	24775.00	20515.00	6748.00	7458.00	18212.00
Phenylalanine	17380.00	31843.00	16992.00	31193.00	10300.00	16844.00	6285.00	47789.00	14110.00	19637.00	23335.00	35111.00	34322.00	22845.00	15629.00	27282.00	5120.00	7105.00	27443.00	32274.00	13747.00	35011.00	3322.00	21933.00	12915.00	25151.00	17305.00	28178.00	16303.00	52640.00
Tetradecylamine	23743.00	25004.00	23958.00	34768.00	22825.00	30124.00	31189.00	26911.00	21210.00	30278.00	25845.00	37992.00	33108.00	27530.00	21813.00	42038.00	38273.00	28927.00	22246.00	36648.00	35233.00	26885.00	30585.00	39416.00	29520.00	42548.00	24238.00	25951.00	22669.00	30065.00
PG(12:0/17:0) Esi+16.241001	29260.00	31819.00	34625.00	36222.00	17610.00	8956.00	27806.00	25163.00	19477.00	37192.00	22883.00	14025.00	16486.00	26707.00	12555.00	1.00	1.00	17232.00	24300.00	22699.00	15661.00	23848.00	17790.00	27659.00	24871.00	25501.00	26222.00	37763.00	9782.00	37021.00
C31 H39 N9 O6	17802.00	14005.00	15907.00	10203.00	1.00	3871.00	18854.00	16695.00	7852.00	17976.00	9971.00	1.00	22614.00	12594.00	15989.00	1.00	12326.00	13709.00	23500.00	15352.00	4177.00	8662.00	12666.00	18413.00	13602.00	17706.00	37627.00	15813.00	8054.00	33076.00
C37 H22 N11 O4	33849.00	32652.00	26766.00	26469.00	26337.00	26678.00	20103.00	19303.00	19443.00	18502.00	30862.00	31377.00	22021.00	21182.00	19433.00	20073.00	18556.00	16414.00	15120.00	16192.00	33203.00	29838.00	25042.00	28533.00	24013.00	20371.00	17940.00	17904.00	17398.00	13328.00
11R-hydroxy-dodecanoic acid	29298.00	19902.00	16301.00	28768.00	20791.00	33160.00	16558.00	11936.00	18624.00	28802.00	23271.00	8652.00	27633.00	30531.00	20270.00	6781.00	12829.00	18814.00	20251.00	38239.00	14403.00	49922.00	53114.00	17620.00	46103.00	19523.00	17399.00	32173.00	17596.00	13767.00
Sativic acid	35098.00	36713.00	36324.00	34531.00	38941.00	33723.00	35291.00	37456.00	34577.00	31030.00	39434.00	32208.00	36174.00	37656.00	35513.00	29688.00	29957.00	38586.00	35757.00	36822.00	34433.00	34519.00	37791.00	38387.00	35673.00	39734.00	33696.00	37235.00	39372.00	34793.00
Athamantin Esi+9.673003	38564.00	1.00	43104.00	1.00	60198.00	44039.00	50075.00	39690.00	29723.00	53556.00	42363.00	1.00	47602.00	1.00	31372.00	74031.00	40333.00	20501.00	13312.00	36270.00	1.00	52794.00	39399.00	46933.00	19010.00	1.00	61747.00	24377.00	36350.00	11422.00
cis-5-Tetradecenoylcarnitine	32841.00	33036.00	35847.00	35845.00	35806.00	33731.00	33932.00	34589.00	33324.00	32192.00	37355.00	37909.00	35933.00	33524.00	32120.00	32201.00	35098.00	34072.00	29635.00	32782.00	35889.00	35889.00	34904.00	35048.00	36163.00	33419.00	33329.00	31143.00	34763.00	34278.00
C8 H2 Cl2 N4 O S5	30675.00	28690.00	29764.00	29391.00	30834.00	34438.00	30175.00	30508.00	27245.00	27313.00	33136.00	34011.00	29822.00	26928.00	30924.00	1.00	32671.00	31758.00	29685.00	31064.00	32656.00	31287.00	34360.00	26831.00	32504.00	30168.00	27001.00	29071.00	32451.00	27202.00
C21 H45 N	31239.00	36534.00	39804.00	40572.00	38716.00	38128.00	33641.00	35402.00	36146.00	43452.00	39887.00	39124.00	37739.00	33369.00	36389.00	35888.00	37952.00	32941.00	34794.00	37322.00	40169.00	37564.00	38512.00	36650.00	39519.00	38472.00	37111.00	35987.00	38227.00	34211.00
2-Iodophenol	31531.00	34404.00	35458.00	32006.00	22667.00	17333.00	26104.00	30888.00	28008.00	36768.00	29921.00	24112.00	22419.00	19530.00	20816.00	4258.00	12726.00	23360.00	23866.00	22161.00	28080.00	19223.00	6131.00	29669.00	22966.00	21964.00	27700.00	18102.00	11728.00	31075.00
Arg Arg Thr	9420.00	5188.00	14410.00	1.00	4728.00	1.00	6857.00	6863.00	1.00	16594.00	31604.00	4386.00	4669.00	3026.00	5928.00	4257.00	1.00	7605.00	5416.00	8398.00	12008.00	1.00	1.00	11519.00	5810.00	1.00	7635.00	1.00	1.00	14707.00
Glutinosone	26540.00	13948.00	32975.00	13847.00	11754.00	13033.00	13183.00	12969.00	12321.00	12876.00	15094.00	14194.00	19948.00	13557.00	11356.00	15656.00	9749.00	12843.00	9764.00	10958.00	14605.00	15296.00	19786.00	14372.00	13262.00	12454.00	17201.00	13387.00	11140.00	9644.00
B-Octylglucoside	11259.00	8300.00	9478.00	19705.00	10325.00	19624.00	17824.00	12687.00	6172.00	11039.00	10836.00	16986.00	22370.00	20492.00	11539.00	25310.00	18444.00	27369.00	14205.00	36004.00	18996.00	27110.00	15685.00	10964.00	18123.00	27297.00	8273.00	12471.00	16078.00	17918.00
C15 H29 N O5	32491.00	5330.00	29595.00	1.00	9094.00	8808.00	11667.00	5920.00	4712.00	15454.00	23150.00	14180.00	30112.00	10313.00	4903.00	12795.00	5248.00	15208.00	15400.00	7652.00	1.00	20545.00	1.00	28025.00	8619.00	3050.00	12381.00	7984.00	1.00	9365.00
Anandamide (20:2, n-6) Esi+12.814001	1.00	1.00	1.00	1.00	1.00	1.00	1.00	20670.00	1.00	6195.00	1.00	4605.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12140.00	1.00	1.00	1.00
C9 H Cl3 N6 O S3	29190.00	25529.00	28451.00	27841.00	28679.00	29790.00	27300.00	30068.00	27573.00	26427.00	30331.00	30552.00	26988.00	24065.00	28394.00	3551.00	27775.00	28496.00	28300.00	28584.00	30509.00	26644.00	30490.00	24981.00	30982.00	28442.00	25717.00	29674.00	28475.00	26213.00
C11 H10 N3 O5	24138.00	13342.00	34312.00	24328.00	23608.00	10688.00	25184.00	27395.00	18408.00	44566.00	32168.00	8517.00	24588.00	8656.00	25321.00	1.00	4705.00	25805.00	38662.00	15464.00	5081.00	8777.00	1.00	35410.00	9796.00	9754.00	45015.00	9844.00	1.00	30156.00
3-Butylidene-7-hydroxyphthalide	16403.00	15158.00	16910.00	23465.00	15474.00	18966.00	16271.00	16613.00	15661.00	23685.00	15230.00	18266.00	26836.00	13800.00	13671.00	14419.00	16781.00	14353.00	15144.00	15504.00	19847.00	15549.00	16266.00	18464.00	17085.00	31935.00	12611.00	14924.00	15308.00	14924.00
C9 H20 O5	22219.00	15324.00	14838.00	15091.00	10179.00	29517.00	14238.00	10863.00	9779.00	22456.00	19983.00	15743.00	15803.00	29339.00	22923.00	14935.00	11025.00	15269.00	15183.00	16636.00	9565.00	33618.00	22469.00	14222.00	22698.00	14625.00	16970.00	15494.00	21265.00	12261.00
2-Methylpyridine Esi+3.0849993	33691.00	32240.00	36826.00	36723.00	24275.00	34894.00	19973.00	34532.00	35723.00	35259.00	37140.00	30300.00	31123.00	23332.00	37571.00	32032.00	34569.00	32130.00	25478.00	37606.00	24010.00	37720.00	37543.00	30507.00	36995.00	32228.00	37663.00	33457.00	31666.00	33560.00
15-HETE-G	104180.00	118849.00	131220.00	121586.00	91942.00	83153.00	101488.00	131316.00	91700.00	129741.00	72688.00	86053.00	95959.00	107341.00	85106.00	95737.00	71699.00	85659.00	113133.00	117174.00	92812.00	107050.00	102923.00	101792.00	95074.00	101942.00	114187.00	125816.00	98452.00	154970.00
2'-Hydroxy-2,4',6'-trimethoxychalcone Esi+6.416996	8487.00	13601.00	9603.00	12116.00	28098.00	17840.00	25597.00	23948.00	10834.00	30925.00	9537.00	10334.00	10469.00	12757.00	16229.00	17263.00	16947.00	15170.00	13545.00	23927.00	7492.00	16323.00	8962.00	21278.00	13825.00	12277.00	23230.00	15406.00	19572.00	8995.00
C44 H12 N13	28771.00	28885.00	21024.00	25737.00	25405.00	28051.00	19950.00	15702.00	19319.00	16359.00	32249.00	28632.00	18247.00	19628.00	19405.00	18470.00	18930.00	14136.00	14904.00	16430.00	32554.00	27550.00	24114.00	25477.00	23474.00	19050.00	15694.00	18792.00	17229.00	10070.00
C29 H61 N4 O13	33273.00	29374.00	32009.00	33227.00	33163.00	32223.00	32149.00	34673.00	33224.00	31380.00	28946.00	35810.00	33543.00	31214.00	33515.00	33531.00	32504.00	32338.00	31363.00	33345.00	33274.00	31106.00	33193.00	33140.00	31584.00	30537.00	28652.00	32316.00	32843.00	34114.00
C13 H25 N O3 Esi+13.263	14806.00	12889.00	35188.00	6049.00	18631.00	3425.00	8535.00	85494.00	3694.00	22332.00	9746.00	41153.00	17276.00	10501.00	1.00	1.00	4774.00	132009.00	8935.00	23608.00	9998.00	10572.00	3958.00	1.00	1.00	6018.00	44844.00	4536.00	5840.00	173642.00
Gentamicin Esi+10.774997	33648.00	30278.00	30449.00	30608.00	30820.00	30948.00	30394.00	30585.00	31536.00	29612.00	31361.00	33992.00	30548.00	30584.00	31039.00	28982.00	29200.00	31798.00	30113.00	29610.00	30861.00	30618.00	31260.00	31162.00	29805.00	31656.00	25544.00	31977.00	31433.00	30339.00
5-Hydroxymethyl-2-furaldehyde Esi+14.083005	29919.00	28883.00	33445.00	26121.00	20862.00	19176.00	20566.00	34434.00	21386.00	33948.00	20693.00	23496.00	25165.00	25974.00	19349.00	18823.00	16431.00	21218.00	22044.00	20790.00	20592.00	24925.00	24468.00	25463.00	25815.00	22376.00	28757.00	26249.00	22879.00	29305.00
17,20-dimethyl Prostaglandin F1? Esi+12.737	27305.00	26436.00	28155.00	25403.00	23865.00	24194.00	23514.00	25245.00	22736.00	25189.00	27517.00	28900.00	24848.00	26198.00	24391.00	23452.00	24055.00	24183.00	22750.00	24678.00	25519.00	24611.00	26675.00	25498.00	25847.00	24128.00	25073.00	24426.00	23755.00	24280.00
Lys Gln	1.00	1.00	6939.00	35466.00	4118.00	1.00	1.00	1.00	1.00	18849.00	20124.00	15092.00	8786.00	1.00	1.00	1.00	1.00	1.00	23402.00	1.00	1.00	1.00	1.00	11891.00	6968.00	1.00	9718.00	1.00	1.00	26674.00
Dopaxanthin	24682.00	26584.00	22872.00	23412.00	23395.00	22384.00	18819.00	19123.00	19906.00	18943.00	23221.00	27672.00	22494.00	17841.00	20151.00	18705.00	20205.00	19345.00	16514.00	19031.00	25595.00	23979.00	24601.00	24610.00	21886.00	17832.00	18773.00	20250.00	15300.00	17959.00
Falcarinone	5880.00	6521.00	4996.00	5127.00	4936.00	22715.00	15606.00	7269.00	7328.00	8551.00	5956.00	7021.00	17559.00	14347.00	8954.00	8922.00	9743.00	23573.00	8603.00	12865.00	4401.00	5893.00	7943.00	31613.00	18557.00	32317.00	5968.00	18735.00	7370.00	8927.00
C3 H9 N S2	26497.00	20042.00	27713.00	16001.00	30146.00	30470.00	16778.00	26607.00	16354.00	25806.00	29051.00	20203.00	26310.00	25242.00	24063.00	32458.00	25060.00	29036.00	28959.00	24288.00	14993.00	22318.00	13904.00	30954.00	23449.00	24929.00	27006.00	23988.00	22458.00	25345.00
Metoprolol	32673.00	14134.00	29972.00	21797.00	25713.00	26777.00	20676.00	66987.00	4296.00	31896.00	28310.00	60442.00	23303.00	24081.00	1.00	3906.00	12330.00	83693.00	22604.00	29191.00	15790.00	32713.00	8432.00	1.00	19421.00	21366.00	32640.00	8724.00	18132.00	97520.00
C11 H13 N5 O5 S	18837.00	32947.00	24008.00	20266.00	23233.00	11225.00	20501.00	20388.00	14638.00	15831.00	25085.00	26236.00	14081.00	21285.00	11481.00	1.00	7375.00	22568.00	10009.00	10438.00	20777.00	13618.00	6156.00	19914.00	11863.00	26331.00	21888.00	1.00	5131.00	18548.00
Phenylmethyl methyl ketone	27758.00	24908.00	26340.00	26154.00	21920.00	19605.00	30052.00	25982.00	19866.00	30312.00	22401.00	18020.00	20437.00	33151.00	23041.00	19540.00	27166.00	16170.00	23672.00	21536.00	19616.00	22940.00	18344.00	26946.00	26543.00	22316.00	21206.00	21476.00	19460.00	25299.00
Camptothecin Esi+13.660002	26616.00	35368.00	66945.00	50147.00	27073.00	31436.00	32702.00	36613.00	32948.00	51952.00	35539.00	35436.00	29227.00	35182.00	49078.00	23037.00	19277.00	18674.00	51266.00	19401.00	41749.00	38133.00	33097.00	42735.00	57027.00	35714.00	25543.00	19674.00	23708.00	25409.00
C4 H7 N	15497.00	24142.00	19868.00	26772.00	30275.00	20194.00	14251.00	21958.00	29238.00	18120.00	8501.00	18337.00	16191.00	14702.00	20817.00	1.00	10667.00	19034.00	14670.00	11628.00	35015.00	13662.00	6503.00	24146.00	21950.00	19005.00	23358.00	10561.00	9447.00	14953.00
C26 H58 N23 O2	24722.00	32779.00	29555.00	31879.00	22189.00	24058.00	28635.00	35330.00	21749.00	20639.00	28602.00	29457.00	39008.00	22907.00	20439.00	22899.00	21446.00	22939.00	22129.00	20862.00	28144.00	25526.00	23744.00	30590.00	27213.00	29566.00	31380.00	18806.00	22500.00	35455.00
PG(12:0/15:0)	20702.00	22540.00	28101.00	25537.00	14667.00	9803.00	23925.00	25593.00	15843.00	33659.00	15649.00	10462.00	13658.00	19685.00	10007.00	1.00	1.00	13915.00	17894.00	16376.00	9893.00	19475.00	14581.00	22836.00	17774.00	16705.00	23440.00	28175.00	9189.00	25431.00
N-stearoyl tyrosine	4124.00	20886.00	22611.00	1.00	5128.00	1.00	1.00	15509.00	1.00	25797.00	27209.00	4761.00	4387.00	9511.00	3695.00	1.00	1.00	6470.00	6430.00	9833.00	7428.00	5485.00	1.00	35488.00	6456.00	3517.00	5584.00	10885.00	1.00	20592.00
Val Met	83226.00	27740.00	75428.00	60384.00	73801.00	64637.00	56809.00	170395.00	11334.00	56917.00	73167.00	99648.00	43609.00	39976.00	15199.00	17448.00	24260.00	197378.00	38372.00	72922.00	30464.00	83340.00	28038.00	22326.00	50348.00	57100.00	82505.00	17171.00	53349.00	221206.00
3-Hydroxyisovalerylcarnitine	27732.00	15561.00	31548.00	50689.00	22531.00	31695.00	59180.00	15093.00	24108.00	82902.00	92694.00	25181.00	114468.00	31575.00	47955.00	9180.00	15953.00	42239.00	49311.00	32864.00	14551.00	25227.00	4511.00	65800.00	24507.00	31028.00	124648.00	19215.00	11891.00	74385.00
2-(3'-Methylthio)propylmalic acid Esi+10.786996	19405.00	21798.00	17873.00	22450.00	20298.00	19081.00	17661.00	17796.00	17370.00	16727.00	18387.00	24099.00	16555.00	18652.00	17795.00	16188.00	18531.00	15848.00	15349.00	15366.00	22726.00	21011.00	21093.00	22157.00	20220.00	16712.00	14866.00	16910.00	14250.00	16930.00
C17 H36 N16 O7	22819.00	23865.00	28907.00	25658.00	23279.00	16166.00	18541.00	23201.00	18273.00	25863.00	23126.00	24572.00	24291.00	16502.00	18886.00	1.00	13298.00	19855.00	24254.00	18092.00	21468.00	15259.00	3083.00	24314.00	19951.00	19427.00	19475.00	20973.00	5158.00	26943.00
6-hydroxy-tetradecanoic acid	16907.00	6179.00	5981.00	14760.00	6068.00	14695.00	4505.00	11039.00	4707.00	26300.00	45512.00	4338.00	28975.00	14384.00	8372.00	4567.00	3831.00	17655.00	6907.00	9300.00	3206.00	40609.00	14544.00	3394.00	49643.00	17864.00	9755.00	10147.00	27924.00	10615.00
decanamide	27186.00	25898.00	18798.00	21813.00	22318.00	29676.00	21192.00	17382.00	15790.00	25388.00	20134.00	22669.00	15537.00	32916.00	16846.00	13628.00	16339.00	23520.00	21652.00	14808.00	18467.00	27676.00	24972.00	16974.00	25067.00	25815.00	21093.00	23732.00	19763.00	24888.00
1-Oleoyl-2-acetyl-sn-glycerol	17362.00	5610.00	25520.00	1.00	1.00	1.00	4643.00	4966.00	1.00	14342.00	7059.00	1.00	7280.00	13832.00	1.00	3176.00	4811.00	7305.00	4556.00	1.00	1.00	17970.00	1.00	27852.00	4267.00	1.00	4501.00	3910.00	1.00	9054.00
C30 H61 N8 O5	36075.00	35832.00	29520.00	35315.00	28589.00	39256.00	34519.00	31240.00	37080.00	32224.00	41804.00	38049.00	40167.00	32486.00	26940.00	32378.00	32112.00	34547.00	27633.00	30366.00	29441.00	39752.00	36657.00	32743.00	29643.00	37895.00	27434.00	34706.00	29095.00	35701.00
2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate Esi+10.942996 :1	27549.00	31985.00	23379.00	28845.00	51321.00	30166.00	31692.00	20861.00	13598.00	17982.00	45588.00	35166.00	16172.00	21653.00	15738.00	16196.00	14747.00	16326.00	9141.00	15771.00	24428.00	35604.00	15603.00	35318.00	23634.00	12635.00	18303.00	11253.00	11518.00	5857.00
Urocanic acid	27736.00	27408.00	24211.00	27443.00	28620.00	27936.00	26678.00	26684.00	29810.00	28443.00	28657.00	30064.00	27915.00	24745.00	24677.00	33316.00	24816.00	25246.00	27202.00	24556.00	26348.00	27594.00	29900.00	23993.00	32288.00	26461.00	23780.00	27953.00	25414.00	25728.00
Cholic Acid Methyl Ester	11534.00	5431.00	21010.00	1.00	1.00	1.00	4411.00	5116.00	1.00	12497.00	5369.00	1.00	5943.00	11829.00	1.00	3086.00	3039.00	5089.00	4657.00	1.00	1.00	16256.00	1.00	27224.00	1.00	1.00	1.00	3957.00	1.00	5057.00
C26 H55 N11 O3	35420.00	47429.00	27897.00	34861.00	34130.00	35788.00	39923.00	34477.00	39239.00	36228.00	47467.00	42600.00	38964.00	36327.00	29139.00	34355.00	30919.00	28091.00	29151.00	29906.00	37212.00	37662.00	36249.00	42862.00	32186.00	33997.00	30287.00	35041.00	35670.00	36378.00
3-(3,4-Dihydroxyphenyl)pyruvate	26251.00	12922.00	20110.00	16109.00	23295.00	16871.00	9964.00	12100.00	30113.00	27378.00	22918.00	10439.00	12208.00	10252.00	12907.00	1.00	8171.00	10680.00	13439.00	16962.00	32836.00	9992.00	3431.00	15162.00	15054.00	20709.00	23884.00	4520.00	17789.00	19634.00
10-Deacetyl-2-debenzoylbaccatin III	29793.00	24360.00	25670.00	25879.00	21773.00	19456.00	31165.00	23414.00	17630.00	31058.00	22238.00	19617.00	20457.00	31330.00	23863.00	17626.00	26523.00	16378.00	22777.00	20899.00	19540.00	19556.00	19530.00	28592.00	26884.00	20154.00	19478.00	19306.00	19989.00	25027.00
C26 H56 N O9	24983.00	26915.00	24660.00	25613.00	23270.00	19870.00	23033.00	30894.00	20414.00	19866.00	23255.00	27176.00	31009.00	20301.00	21179.00	23553.00	20652.00	22127.00	17367.00	20547.00	24421.00	23360.00	23381.00	25822.00	28674.00	25895.00	28485.00	20843.00	21548.00	31008.00
Neral Esi+10.088999	3918.00	3340.00	1.00	1.00	3313.00	19530.00	13758.00	4968.00	4799.00	5304.00	1.00	1.00	13343.00	8778.00	5920.00	6208.00	7261.00	23178.00	6048.00	9123.00	1.00	1.00	3953.00	30932.00	15482.00	25496.00	3877.00	14966.00	3324.00	3673.00
Bethanechol	4384.00	7589.00	9616.00	29572.00	4164.00	5051.00	5624.00	36691.00	24993.00	25364.00	6603.00	34072.00	5314.00	19387.00	3358.00	1.00	22817.00	9232.00	1.00	18173.00	22895.00	15786.00	1.00	14460.00	14556.00	12650.00	1.00	1.00	1.00	18051.00
C29 H59 N8 O11	17231.00	12045.00	15041.00	14132.00	15747.00	15326.00	14163.00	27995.00	14583.00	13208.00	14220.00	14761.00	13826.00	13383.00	14456.00	14894.00	13015.00	14809.00	13154.00	14565.00	14145.00	12782.00	14396.00	13952.00	14247.00	13574.00	14440.00	13662.00	13862.00	31272.00
1,2-Bis(chloromethoxy)ethane	8498.00	10425.00	17229.00	8368.00	13671.00	17986.00	11122.00	16464.00	10754.00	12833.00	19324.00	15132.00	33327.00	13641.00	14593.00	20144.00	14002.00	16296.00	17082.00	11564.00	12060.00	12436.00	6933.00	11944.00	13757.00	16484.00	10055.00	16001.00	12259.00	10318.00
Anandamide (20:l, n-9) Esi+12.479003	18925.00	7442.00	28735.00	3168.00	7814.00	16896.00	14087.00	26924.00	1.00	14592.00	4200.00	23150.00	20760.00	7498.00	1.00	1.00	5179.00	27367.00	3622.00	3874.00	5888.00	6777.00	5598.00	1.00	13927.00	1.00	14795.00	1.00	3196.00	41283.00
C9 H20 N4 O4	23200.00	12828.00	30782.00	25561.00	25306.00	15184.00	22052.00	27588.00	14489.00	30579.00	32023.00	9495.00	11822.00	11824.00	12875.00	1.00	10599.00	12642.00	17825.00	10161.00	6913.00	18037.00	5745.00	16803.00	22599.00	14669.00	18257.00	12532.00	6788.00	21015.00
C7 Cl2 N4 O4 S4	28471.00	26571.00	27896.00	27421.00	29565.00	32246.00	28322.00	28613.00	26580.00	25157.00	28561.00	31324.00	28437.00	23343.00	30898.00	1.00	28715.00	28058.00	26894.00	27069.00	29755.00	26264.00	30976.00	25061.00	29667.00	28928.00	24976.00	28862.00	31089.00	26283.00
1',2'-Dihydrochlorobactene	23357.00	25117.00	20656.00	22880.00	20619.00	20547.00	21131.00	26889.00	17766.00	18866.00	24258.00	27375.00	27855.00	21688.00	19568.00	24540.00	20283.00	17563.00	18916.00	20669.00	25248.00	19714.00	19777.00	24524.00	23729.00	24518.00	25774.00	18058.00	23319.00	27138.00
2-methyl-tridecanedioic acid	17161.00	11171.00	16266.00	17007.00	10298.00	19315.00	25445.00	20323.00	7842.00	19316.00	14571.00	24100.00	19105.00	20951.00	16048.00	18945.00	25405.00	19601.00	15161.00	23150.00	30657.00	20722.00	19011.00	26997.00	16981.00	34995.00	8097.00	12903.00	19173.00	17499.00
6-Hydroxyluteolin 6-glucoside-3'-rhamnoside	29569.00	24927.00	32774.00	20316.00	18503.00	16855.00	23967.00	23500.00	18986.00	25418.00	21047.00	15533.00	26114.00	21780.00	22286.00	25815.00	24240.00	11170.00	18519.00	19060.00	19530.00	18274.00	23823.00	15489.00	13667.00	14169.00	22556.00	17054.00	20589.00	28764.00
C8 H6	20678.00	18406.00	23080.00	20031.00	12677.00	27082.00	15354.00	29354.00	24176.00	22751.00	16686.00	11690.00	14891.00	16788.00	15293.00	8757.00	4670.00	20303.00	18403.00	11682.00	15053.00	18352.00	9912.00	21536.00	16785.00	18369.00	17625.00	8090.00	11225.00	23809.00
C8 H16 N6 O3	17012.00	9376.00	12924.00	20995.00	11487.00	12715.00	18881.00	14886.00	29940.00	15286.00	8161.00	10067.00	10517.00	8671.00	8648.00	1.00	6657.00	11385.00	13178.00	10942.00	7248.00	9374.00	1.00	9468.00	8136.00	19127.00	14754.00	9358.00	6540.00	20334.00
PC(18:1(9E)/0:0)[U] Esi+11.807004	4271.00	5067.00	8424.00	27682.00	1.00	4312.00	9939.00	17220.00	15986.00	6743.00	15239.00	5043.00	4581.00	5787.00	1.00	3315.00	1.00	5936.00	6467.00	4443.00	5353.00	20640.00	4976.00	4698.00	7249.00	13807.00	4912.00	10291.00	7237.00	19165.00
MID41972:1?-hydroxy-24-methylsulfonyl-25,26,27-trinorvitamin D3 / 1?-hydroxy-24-methylsulfonyl-25,26 Esi+7.802001	85995.00	78200.00	85379.00	81091.00	80003.00	78960.00	76352.00	77945.00	79017.00	76105.00	75816.00	90347.00	78999.00	77113.00	79279.00	73976.00	75402.00	76109.00	74470.00	74460.00	83977.00	83074.00	76459.00	80010.00	78065.00	76927.00	69437.00	76872.00	75520.00	79760.00
1-(5Z,8Z,11Z,14Z,17Z-Eicosapentaenoyl)-sn-glycero-3-phosphocholine	13665.00	6345.00	8084.00	6153.00	1.00	1.00	7631.00	7956.00	1.00	32473.00	6492.00	1.00	19877.00	1.00	5399.00	1.00	1.00	5056.00	8780.00	6479.00	1.00	1.00	4370.00	10146.00	8737.00	12754.00	19709.00	8183.00	1.00	17492.00
Dopexamine	4582.00	1.00	6249.00	1.00	1.00	1.00	1.00	12870.00	1.00	6171.00	1.00	11583.00	1.00	3784.00	1.00	1.00	1.00	19563.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	3664.00	1.00	1.00	31043.00
5-Hydroxyisourate	16365.00	29860.00	32914.00	17004.00	12097.00	7282.00	21229.00	24590.00	20618.00	28060.00	12776.00	18770.00	20613.00	8904.00	13164.00	1.00	8572.00	14842.00	18133.00	21729.00	27032.00	9594.00	1.00	19418.00	16432.00	7973.00	17589.00	18358.00	4878.00	24777.00
5-Hydroxymethyl-2-furaldehyde Esi+9.463998	25997.00	24847.00	26408.00	26984.00	26781.00	26180.00	23328.00	25240.00	25629.00	25816.00	32182.00	27330.00	26405.00	27473.00	25884.00	24504.00	23977.00	23542.00	25824.00	26405.00	28152.00	24410.00	26678.00	24931.00	28478.00	24009.00	23280.00	30035.00	26045.00	28306.00
Flurochloridone Esi+1.0690001	84320.00	84583.00	92955.00	77062.00	136370.00	99544.00	82748.00	80321.00	74369.00	48772.00	97494.00	129929.00	92463.00	81273.00	102399.00	132878.00	125844.00	91505.00	55799.00	145994.00	93201.00	112981.00	84935.00	74524.00	89507.00	121185.00	86560.00	104898.00	92185.00	76506.00
Theonellasterol B	12111.00	1.00	22886.00	1.00	5861.00	1.00	6717.00	38768.00	1.00	24375.00	1.00	28777.00	21757.00	23702.00	1.00	1.00	1.00	12321.00	1.00	4106.00	7096.00	4005.00	1.00	1.00	1.00	1.00	10719.00	1.00	1.00	46588.00
D-Mycinose	13169.00	11364.00	13700.00	13802.00	15065.00	13177.00	13072.00	27717.00	12953.00	13210.00	14698.00	13523.00	15325.00	11650.00	13461.00	12764.00	13662.00	12568.00	11856.00	13377.00	16425.00	11159.00	14044.00	10974.00	14171.00	13806.00	12117.00	14580.00	12331.00	13980.00
MID42313:1?,25-dihydroxy-24a,24b-dihomo-22-oxavitamin D3 / 1?,25-dihydroxy-24a,24b-dihomo-22-oxachol	30856.00	28297.00	29193.00	27926.00	31339.00	28693.00	21721.00	27604.00	34997.00	35432.00	27009.00	34634.00	27389.00	23417.00	31810.00	31718.00	31029.00	29425.00	17844.00	23118.00	35337.00	22363.00	31034.00	27177.00	29545.00	24684.00	21577.00	32211.00	27031.00	27618.00
C18 H48 N19 O3	25529.00	28391.00	25236.00	26531.00	21678.00	25380.00	25319.00	29342.00	22945.00	18619.00	29015.00	30377.00	28935.00	23783.00	20844.00	27418.00	23921.00	24525.00	17634.00	22435.00	25964.00	24444.00	22007.00	28094.00	26874.00	25595.00	27305.00	22259.00	23293.00	26775.00
C29 H62 N O11	23911.00	26772.00	24948.00	26995.00	23289.00	19409.00	24584.00	29151.00	22319.00	20127.00	28859.00	28919.00	26863.00	21870.00	21677.00	27618.00	23271.00	22590.00	20917.00	20984.00	26118.00	21563.00	20185.00	25715.00	27947.00	27490.00	26832.00	18909.00	22102.00	28789.00
C19 H7 N2 O22	24208.00	28658.00	22358.00	26247.00	20541.00	19240.00	25030.00	29455.00	21213.00	20319.00	27293.00	28281.00	31284.00	22220.00	19717.00	22516.00	22137.00	19748.00	19107.00	19440.00	26114.00	22814.00	24735.00	27422.00	25316.00	27182.00	28196.00	18932.00	20768.00	29833.00
Confertifolin	27013.00	27554.00	28340.00	27809.00	29469.00	25929.00	27707.00	27572.00	26244.00	26907.00	28601.00	28274.00	28126.00	26520.00	26745.00	29560.00	26279.00	28019.00	28043.00	28393.00	27652.00	27984.00	26881.00	27067.00	27444.00	26557.00	28204.00	29188.00	28164.00	27743.00
C20 H13 O22 S	23020.00	29493.00	22920.00	27375.00	22565.00	21421.00	25202.00	30558.00	19517.00	19925.00	26187.00	25112.00	31771.00	18378.00	21710.00	20196.00	20365.00	20182.00	17793.00	19779.00	25045.00	23550.00	20941.00	24452.00	23138.00	27790.00	28168.00	19148.00	21496.00	31573.00
C11 H20 N7 Esi+5.910999	102510.00	79389.00	92260.00	141995.00	85838.00	167677.00	129397.00	112385.00	62981.00	118043.00	105642.00	129263.00	162289.00	164798.00	125265.00	152905.00	138741.00	168478.00	119005.00	203921.00	125825.00	231265.00	120178.00	96420.00	158907.00	196831.00	88559.00	116274.00	132294.00	129176.00
2-(Fluoromethoxy)-1,1,3,3,3-pentafluoro-1-propene (Compound A)	13917.00	13584.00	8935.00	17238.00	8244.00	18375.00	8466.00	17908.00	24688.00	7047.00	3732.00	10189.00	8632.00	14288.00	12750.00	13004.00	3198.00	5306.00	7921.00	12579.00	9054.00	16526.00	14879.00	10121.00	13472.00	19862.00	10939.00	7430.00	28603.00	8935.00
Athamantin Esi+9.451997 :1	43494.00	36077.00	44189.00	22549.00	72680.00	53385.00	63648.00	52179.00	32722.00	64949.00	48865.00	20874.00	52899.00	25758.00	34909.00	88258.00	40656.00	17049.00	16622.00	47206.00	26675.00	67301.00	42512.00	56992.00	22652.00	17160.00	70208.00	28180.00	51113.00	9641.00
C19 H41 N	25464.00	23774.00	27598.00	27089.00	23022.00	24420.00	24537.00	25908.00	24838.00	24530.00	26635.00	27403.00	25095.00	25310.00	24792.00	24872.00	24531.00	26544.00	24369.00	24335.00	28243.00	25925.00	23559.00	25541.00	26518.00	25393.00	22829.00	24368.00	23780.00	25423.00
MGK 264	18211.00	19159.00	17415.00	19886.00	18394.00	18585.00	19377.00	17784.00	19392.00	18439.00	18701.00	22833.00	21394.00	16942.00	16571.00	17858.00	18866.00	18435.00	22309.00	16968.00	17590.00	18436.00	18876.00	20530.00	18840.00	19347.00	14474.00	17397.00	18484.00	20828.00
C21 H11 N2 O23	22136.00	27491.00	21387.00	26760.00	18405.00	20158.00	23655.00	30143.00	22598.00	18117.00	24708.00	26473.00	29254.00	20740.00	20340.00	23204.00	20272.00	19781.00	16718.00	18322.00	21803.00	21110.00	21054.00	25770.00	24684.00	25021.00	28974.00	17498.00	19328.00	28268.00
C35 H59 N2 O5	29867.00	38534.00	44713.00	27739.00	29661.00	31348.00	29902.00	31040.00	29941.00	31188.00	36598.00	31159.00	28525.00	30954.00	27029.00	27377.00	30092.00	30922.00	27090.00	29108.00	33599.00	33221.00	29960.00	29733.00	33919.00	35041.00	32883.00	34437.00	30239.00	32764.00
5-Phosphoribosyl-5-aminoimidazole Esi+1.0319998	32781.00	45655.00	28970.00	36260.00	25352.00	11574.00	24938.00	25267.00	13619.00	22692.00	25375.00	32373.00	14327.00	34503.00	9525.00	1.00	3044.00	30499.00	10234.00	10833.00	22728.00	18166.00	3086.00	34372.00	12608.00	32228.00	26964.00	1.00	1.00	30171.00
C21 H40 N7 O	21739.00	25127.00	22068.00	21572.00	19578.00	39102.00	23375.00	30565.00	15901.00	14356.00	20455.00	24593.00	21845.00	19642.00	20843.00	15793.00	19732.00	16816.00	11616.00	15874.00	17555.00	16517.00	18464.00	18983.00	16499.00	21503.00	18972.00	16795.00	22724.00	20932.00
N-stearoyl valine	36407.00	34558.00	35734.00	29589.00	34575.00	33770.00	26901.00	35464.00	31722.00	30921.00	33613.00	32715.00	31984.00	30602.00	29749.00	29255.00	32529.00	31145.00	27570.00	30403.00	35289.00	31054.00	34415.00	31310.00	32692.00	30981.00	33496.00	33194.00	30570.00	32452.00
N6-Methyl-2'-deoxyadenosine	23479.00	20774.00	19616.00	25750.00	11911.00	19742.00	9400.00	6308.00	3849.00	4878.00	26792.00	54578.00	22558.00	19421.00	7146.00	9428.00	8125.00	12671.00	5297.00	6811.00	60896.00	36597.00	27676.00	14943.00	15288.00	11533.00	8337.00	4168.00	6654.00	4948.00
8-methyl-hexadecanedioic acid	25789.00	27694.00	29445.00	25245.00	21690.00	21322.00	21744.00	28549.00	20137.00	20178.00	26052.00	26182.00	28760.00	18417.00	21730.00	24942.00	20489.00	19690.00	17690.00	19687.00	24820.00	22816.00	20372.00	24426.00	22440.00	26410.00	27571.00	18356.00	20754.00	24559.00
?-D-Glucose Esi+0.90100044 :1	69959.00	30531.00	50970.00	42242.00	62394.00	68891.00	48255.00	59243.00	59320.00	58938.00	46168.00	38683.00	47974.00	43996.00	49170.00	1.00	33934.00	38114.00	59489.00	39549.00	51577.00	49911.00	19613.00	42814.00	41196.00	62076.00	69325.00	20610.00	54737.00	56360.00
(+)-3-hydroxy pelargonic acid	27409.00	12415.00	10484.00	9103.00	10038.00	9094.00	8451.00	7949.00	5719.00	10328.00	10297.00	28641.00	8592.00	16544.00	9901.00	7044.00	24563.00	6745.00	6496.00	16321.00	8808.00	8599.00	7781.00	8495.00	12305.00	13380.00	7001.00	7076.00	13670.00	6945.00
Idebenone Metabolite (Benzenehexanoic acid, 2,5-dihydroxy-3,4-dimethoxy-6-methyl-) Esi+5.6150017	6774.00	7785.00	8755.00	11566.00	22243.00	12980.00	22728.00	18460.00	10742.00	27031.00	8011.00	7178.00	9761.00	11426.00	15236.00	14938.00	13553.00	13478.00	12911.00	20210.00	5548.00	11510.00	7433.00	14907.00	12742.00	10917.00	20210.00	14601.00	15722.00	8271.00
Tussilagine Esi+2.1090004	22161.00	16721.00	47152.00	26735.00	19192.00	7569.00	11217.00	12796.00	14750.00	28087.00	24338.00	14001.00	11123.00	24295.00	19518.00	17513.00	14003.00	19140.00	31744.00	15814.00	5777.00	10584.00	1.00	23680.00	12662.00	35933.00	23326.00	10794.00	3624.00	37077.00
Hercynine	27855.00	6340.00	8874.00	8053.00	6428.00	12620.00	4404.00	6439.00	13972.00	9692.00	8655.00	3730.00	10115.00	10057.00	16746.00	1.00	3888.00	5196.00	14794.00	8842.00	1.00	4927.00	5350.00	9733.00	3083.00	7679.00	11808.00	8134.00	3470.00	8271.00
C24 H46 O5	23946.00	21351.00	25867.00	23992.00	25505.00	26983.00	25608.00	24535.00	25904.00	26228.00	28134.00	28762.00	27099.00	24185.00	23745.00	24201.00	25813.00	25444.00	22271.00	25006.00	24473.00	23378.00	25576.00	23516.00	24974.00	26666.00	24910.00	21871.00	21491.00	25220.00
C23 H49 N11 O	12870.00	24625.00	15176.00	14231.00	19905.00	11488.00	12244.00	19023.00	8783.00	12175.00	22579.00	13699.00	11918.00	12219.00	13276.00	11475.00	19134.00	10476.00	17259.00	10048.00	11302.00	10289.00	12110.00	11634.00	20397.00	31504.00	10620.00	10342.00	10326.00	13416.00
C32 H61 N O4 S	15451.00	18554.00	20196.00	18480.00	9940.00	14605.00	16629.00	32589.00	12041.00	14324.00	13658.00	18547.00	9521.00	13185.00	15715.00	14872.00	16834.00	12912.00	11831.00	11402.00	12858.00	11090.00	12581.00	12162.00	17416.00	23351.00	16036.00	10690.00	11414.00	15806.00
C25 H51 N8 O3	11297.00	19809.00	20417.00	18310.00	16340.00	16407.00	23843.00	33658.00	13704.00	16887.00	12715.00	23626.00	17690.00	13759.00	15450.00	16879.00	17808.00	16329.00	12842.00	13704.00	15575.00	14328.00	13494.00	17894.00	18647.00	23827.00	19511.00	15484.00	13166.00	17363.00
1?,25-Dihydroxyvitamin D3 25-trimethylsilyl ether	14080.00	16345.00	21233.00	18228.00	8556.00	7595.00	17100.00	23014.00	14044.00	27670.00	11096.00	7243.00	12580.00	12492.00	4994.00	1.00	1.00	13262.00	18712.00	20745.00	9928.00	15365.00	9586.00	18552.00	14270.00	16474.00	20281.00	21102.00	10880.00	33935.00
Carboxyifosfamide	16636.00	19139.00	13374.00	32143.00	33553.00	14671.00	22785.00	23048.00	23276.00	18634.00	5221.00	20247.00	26260.00	17754.00	21962.00	23073.00	28743.00	24921.00	29575.00	20881.00	9042.00	14677.00	12027.00	16812.00	15687.00	22164.00	29796.00	26737.00	25085.00	23484.00
2,3-dinor Thromboxane B1	6626.00	1.00	3686.00	9122.00	13609.00	7230.00	10491.00	9946.00	3838.00	6183.00	5935.00	9019.00	1.00	7174.00	5979.00	1.00	17206.00	1.00	10571.00	4469.00	10185.00	6341.00	4111.00	3420.00	3435.00	26605.00	1.00	7813.00	5714.00	22351.00
C20 H42 O5	22916.00	29204.00	32260.00	29927.00	24120.00	25933.00	24036.00	35088.00	19971.00	24885.00	28776.00	36144.00	21795.00	24027.00	29505.00	22806.00	28423.00	19366.00	23008.00	25814.00	26225.00	25828.00	20042.00	28615.00	25464.00	32800.00	23742.00	27721.00	27277.00	22783.00
C18 H9 O21 S	23541.00	26766.00	19469.00	25728.00	19368.00	20919.00	24096.00	28652.00	17823.00	18324.00	23628.00	24157.00	30273.00	22575.00	20095.00	22319.00	18026.00	20447.00	17748.00	18354.00	21845.00	21738.00	18860.00	25640.00	22358.00	26303.00	27905.00	18792.00	18337.00	27702.00
PS(O-20:0/17:2(9Z,12Z))	30622.00	28466.00	26041.00	32423.00	30845.00	30998.00	26927.00	27617.00	24781.00	24288.00	30111.00	34832.00	29252.00	27884.00	28832.00	26579.00	25707.00	28651.00	23746.00	26561.00	30096.00	30290.00	29106.00	29345.00	29363.00	27588.00	24456.00	24447.00	25635.00	26956.00
desethyletomidate	14201.00	19170.00	15092.00	15566.00	27524.00	19917.00	23100.00	20331.00	13795.00	22894.00	22207.00	15129.00	14371.00	15091.00	13894.00	16021.00	13701.00	14459.00	12258.00	18604.00	12649.00	22326.00	11376.00	21351.00	14468.00	11037.00	18207.00	13062.00	16251.00	7776.00
Pro Arg	23444.00	19637.00	22382.00	20942.00	20561.00	21482.00	20391.00	19589.00	19788.00	19355.00	19138.00	24717.00	19515.00	19082.00	19729.00	19588.00	19118.00	19293.00	18930.00	18519.00	21287.00	21070.00	23287.00	21340.00	20584.00	20018.00	17563.00	18017.00	19668.00	19053.00
Myxalamid B	54737.00	45031.00	96936.00	28810.00	65796.00	21962.00	34110.00	167169.00	22928.00	64391.00	37692.00	102938.00	63017.00	39545.00	11413.00	9355.00	19224.00	232981.00	33418.00	64180.00	39610.00	39589.00	15196.00	12825.00	18783.00	26312.00	104504.00	21714.00	24807.00	264296.00
Diphenylmethylphosphine	8544.00	9147.00	9357.00	9954.00	11065.00	9045.00	11170.00	8997.00	10944.00	9562.00	9468.00	12991.00	9244.00	7382.00	10783.00	8995.00	9595.00	9674.00	9055.00	8317.00	11581.00	10891.00	11626.00	10179.00	9947.00	8676.00	8202.00	8038.00	8302.00	10291.00
Halaminol A	4469.00	6447.00	8494.00	13659.00	4234.00	7411.00	17869.00	11545.00	3957.00	5849.00	4233.00	21062.00	11636.00	8197.00	6567.00	15012.00	24409.00	16905.00	12618.00	18503.00	20591.00	7587.00	14882.00	19101.00	6550.00	26738.00	4674.00	9669.00	8015.00	23617.00
Myxalamid D	22352.00	23736.00	24950.00	24908.00	18001.00	17435.00	22174.00	27240.00	16886.00	15273.00	21303.00	25937.00	31370.00	16431.00	16673.00	19545.00	16467.00	17139.00	14890.00	18041.00	23106.00	19415.00	20508.00	24672.00	21363.00	23386.00	26706.00	16312.00	16115.00	27461.00
Butopyronoxyl	10178.00	1.00	4802.00	10150.00	5577.00	4662.00	20081.00	1.00	3156.00	13143.00	9894.00	1.00	26633.00	4101.00	11445.00	1.00	1.00	3823.00	4075.00	3498.00	3458.00	1.00	1.00	23473.00	1.00	8183.00	20372.00	1.00	1.00	16879.00
Matteucinol-7-O-[4'',6''-di-O-galloyl]-beta-D-glucopyranoside	24724.00	24515.00	25760.00	22113.00	20783.00	21008.00	14894.00	15970.00	15107.00	14548.00	26829.00	26737.00	18497.00	16826.00	16842.00	14059.00	15310.00	14335.00	11502.00	11177.00	28685.00	24789.00	20955.00	21074.00	18692.00	16031.00	14613.00	13414.00	13341.00	11688.00
Diloxanide-O-Glucuronide	23508.00	25385.00	21895.00	24840.00	25360.00	21557.00	19407.00	19803.00	19295.00	18660.00	25291.00	27406.00	20407.00	20503.00	22546.00	19398.00	18969.00	18551.00	19111.00	19316.00	27037.00	23384.00	23327.00	26662.00	21464.00	19392.00	17855.00	18730.00	18271.00	18135.00
N-Nitrosoguvacoline	4574.00	3483.00	4207.00	26139.00	17026.00	4573.00	12701.00	1.00	16041.00	19487.00	8685.00	29027.00	26074.00	8626.00	5196.00	1.00	8092.00	26791.00	22053.00	15759.00	4347.00	3273.00	1.00	8280.00	11175.00	5421.00	22878.00	6449.00	1.00	9637.00
Fluorodifen	13605.00	6310.00	16365.00	14622.00	20427.00	9434.00	16774.00	14962.00	9492.00	20683.00	17184.00	5774.00	15365.00	7324.00	20479.00	1.00	5836.00	18942.00	24148.00	8500.00	1.00	7198.00	1.00	19284.00	6308.00	9606.00	26031.00	6733.00	3476.00	14677.00
C27 H55 N8 O3	12571.00	13108.00	23122.00	22714.00	21976.00	10828.00	10225.00	19889.00	11401.00	9751.00	11196.00	21455.00	12312.00	10563.00	15238.00	18909.00	9985.00	10232.00	7648.00	16098.00	11304.00	12756.00	13018.00	11167.00	12140.00	40532.00	20843.00	10081.00	17513.00	10598.00
1-Guanidino-1-deoxy-scyllo-inositol	5400.00	4661.00	5170.00	5929.00	5692.00	5774.00	5459.00	24527.00	6041.00	4215.00	5609.00	4940.00	5684.00	4993.00	5234.00	4643.00	4789.00	5682.00	4743.00	5433.00	12388.00	5403.00	5251.00	4403.00	5445.00	5578.00	4947.00	5117.00	4755.00	5127.00
Strictosidine aglycone	16533.00	18557.00	16675.00	18130.00	22730.00	20268.00	26880.00	22186.00	14605.00	25938.00	23948.00	14959.00	13564.00	16931.00	15875.00	23025.00	17067.00	15679.00	15438.00	22087.00	16395.00	23574.00	14190.00	26523.00	16566.00	15050.00	18526.00	15116.00	20183.00	12738.00
18-hydroxy-9R,10S-epoxy-stearic acid Esi+10.628999	1.00	1.00	7605.00	12660.00	1.00	14536.00	17580.00	12107.00	1.00	7996.00	1.00	10112.00	11138.00	13604.00	9119.00	1.00	19637.00	9987.00	1.00	15267.00	13521.00	14753.00	1.00	17310.00	8911.00	32127.00	7524.00	1.00	1.00	8278.00
C23 H47 N8 O2	18209.00	24403.00	22359.00	17524.00	16897.00	13725.00	18434.00	33561.00	15701.00	18626.00	23047.00	26567.00	20471.00	22177.00	15445.00	19627.00	20364.00	19501.00	15405.00	16250.00	19061.00	17326.00	16867.00	20053.00	24496.00	26665.00	22574.00	17488.00	20171.00	26436.00
Bullatacinone	25553.00	30186.00	27122.00	27163.00	21329.00	24972.00	27251.00	31833.00	21727.00	21291.00	29935.00	33198.00	29445.00	23700.00	23612.00	25370.00	24511.00	22880.00	18667.00	23429.00	28202.00	21551.00	24521.00	26123.00	26701.00	25912.00	29671.00	20541.00	22386.00	28137.00
2'-Hydroxy-2,4',6'-trimethoxychalcone Esi+6.057999 :1	35230.00	47405.00	42106.00	55762.00	104534.00	73611.00	103777.00	104612.00	58327.00	140186.00	35974.00	38716.00	50805.00	57983.00	81759.00	84716.00	80435.00	77823.00	70238.00	106295.00	30304.00	67654.00	42170.00	85900.00	62634.00	58620.00	98865.00	80677.00	91784.00	56163.00
2-amino-14,16-dimethyloctadecan-3-ol	21691.00	6715.00	32083.00	1.00	4902.00	3432.00	1.00	25905.00	1.00	10640.00	1.00	16520.00	15208.00	6433.00	1.00	1.00	3358.00	19023.00	3345.00	3470.00	4744.00	3464.00	4882.00	1.00	1.00	1.00	11367.00	1.00	1.00	33868.00
Hexazinone	7749.00	6417.00	4599.00	10854.00	7273.00	23265.00	7883.00	5432.00	4737.00	10031.00	10996.00	4511.00	8522.00	13720.00	6434.00	5650.00	7080.00	7285.00	8443.00	7741.00	1.00	26784.00	7823.00	4095.00	16379.00	10941.00	6001.00	7464.00	12722.00	7246.00
L-NMMA	8477.00	13022.00	11228.00	20829.00	15377.00	8513.00	8024.00	20403.00	8836.00	11031.00	3299.00	12625.00	9243.00	9967.00	6696.00	1.00	13092.00	7275.00	7405.00	14210.00	13118.00	9911.00	1.00	10832.00	25480.00	7402.00	13149.00	6239.00	6906.00	7799.00
C22 H9 N9 O19	19144.00	21001.00	19457.00	22321.00	15278.00	15247.00	18869.00	25930.00	15434.00	13288.00	18520.00	21573.00	25341.00	16162.00	14728.00	17046.00	15782.00	15755.00	11705.00	14996.00	18793.00	17385.00	16028.00	21619.00	18254.00	20748.00	21498.00	13517.00	16031.00	23050.00
benzylazanium Esi+4.181	68073.00	85946.00	76008.00	57051.00	72836.00	82679.00	60632.00	64284.00	67342.00	75011.00	67278.00	88153.00	63751.00	66288.00	71924.00	75624.00	64505.00	68648.00	68639.00	51176.00	85073.00	70913.00	78474.00	65074.00	67086.00	65695.00	61119.00	75988.00	66841.00	72022.00
C22 H17 O23 S	19961.00	21954.00	23105.00	25479.00	17235.00	18189.00	20207.00	27252.00	18966.00	15709.00	21895.00	24390.00	26708.00	16631.00	18482.00	19163.00	17251.00	20156.00	14730.00	16422.00	19701.00	20132.00	18768.00	22693.00	21754.00	24010.00	24841.00	16386.00	18179.00	26601.00
Methyl selenac	20767.00	24540.00	21112.00	25961.00	15637.00	16575.00	23312.00	28315.00	17635.00	17000.00	21212.00	22084.00	25755.00	19373.00	16986.00	18395.00	17637.00	17454.00	15656.00	18664.00	21086.00	20692.00	21092.00	21405.00	20935.00	22102.00	22589.00	18206.00	17922.00	26008.00
F4-Neuroprostane (7-series)	13114.00	7195.00	9752.00	10982.00	10791.00	10879.00	9924.00	19736.00	9027.00	9800.00	9402.00	11059.00	9933.00	9741.00	10344.00	9359.00	8912.00	10579.00	10410.00	9887.00	10226.00	9367.00	10519.00	9921.00	9804.00	9251.00	9376.00	10832.00	10686.00	26223.00
C11 O5 S	19016.00	18555.00	18476.00	19003.00	23245.00	24327.00	21186.00	23010.00	20373.00	19375.00	23525.00	21100.00	23559.00	18505.00	22432.00	3317.00	21926.00	20792.00	22498.00	20996.00	20310.00	20399.00	26381.00	19347.00	22260.00	23144.00	20963.00	22532.00	23063.00	18810.00
C18 H46 N16 O3	27118.00	26625.00	25354.00	27748.00	22508.00	23076.00	23496.00	28789.00	23394.00	21200.00	29697.00	27075.00	28346.00	23701.00	21807.00	25733.00	24213.00	20973.00	20228.00	21233.00	22688.00	22649.00	22568.00	26903.00	26817.00	23919.00	28452.00	18453.00	24112.00	29318.00
L-Alanine, N-propyl- Esi+1.6819994	26124.00	29497.00	20276.00	29390.00	21139.00	23132.00	17372.00	26721.00	20794.00	23897.00	20994.00	17299.00	15527.00	15979.00	16662.00	13023.00	10372.00	24147.00	22864.00	15611.00	17853.00	20197.00	7574.00	24716.00	13664.00	20364.00	29995.00	8295.00	8567.00	25635.00
MGK 264 Esi+10.243003	14874.00	20103.00	19977.00	19840.00	20391.00	19672.00	14100.00	15387.00	16399.00	18078.00	17918.00	21085.00	16010.00	16475.00	17447.00	14031.00	17497.00	18063.00	16699.00	17533.00	19133.00	18719.00	17915.00	18892.00	16605.00	18737.00	14232.00	14745.00	15447.00	17583.00
C75	22053.00	19773.00	20096.00	21017.00	23731.00	20932.00	20601.00	21045.00	18292.00	22922.00	20890.00	23498.00	23720.00	19568.00	21685.00	23218.00	21220.00	20909.00	22829.00	20940.00	23621.00	22123.00	23750.00	21989.00	22770.00	21905.00	20729.00	22213.00	23545.00	21260.00
2-(3'-Methylthio)propylmalic acid Esi+11.906003	23771.00	19994.00	18677.00	20613.00	20133.00	20732.00	16997.00	18435.00	17255.00	16919.00	21301.00	21037.00	21441.00	18451.00	19855.00	17954.00	17182.00	16817.00	15655.00	15501.00	22009.00	21818.00	19453.00	21861.00	21909.00	16744.00	17118.00	16214.00	15758.00	15590.00
C15 H29 N O5 Esi+5.903	12753.00	5726.00	21112.00	5493.00	8233.00	8012.00	7185.00	5719.00	7478.00	10015.00	24579.00	9564.00	18989.00	5558.00	6940.00	5878.00	9311.00	6575.00	15150.00	5814.00	4606.00	9447.00	4442.00	22750.00	6315.00	6291.00	6933.00	5761.00	5034.00	7998.00
C9 H4 N O6 S	22384.00	19790.00	22595.00	22332.00	22721.00	24727.00	24594.00	21698.00	23286.00	19929.00	26177.00	25884.00	24026.00	20586.00	25581.00	6951.00	25330.00	23306.00	24917.00	23816.00	22662.00	22603.00	28091.00	21085.00	24080.00	24684.00	22542.00	24608.00	26245.00	21359.00
Spermidine	13255.00	25269.00	5103.00	8405.00	4019.00	5540.00	8607.00	15087.00	14865.00	16048.00	1.00	8101.00	1.00	10228.00	1.00	1.00	1.00	1.00	1.00	6915.00	6554.00	1.00	1.00	5898.00	6915.00	11686.00	11115.00	4167.00	1.00	16066.00
benzylazanium Esi+4.181 :1	71285.00	68895.00	75962.00	64087.00	71772.00	81057.00	68095.00	52406.00	70252.00	74024.00	65765.00	86687.00	63751.00	60909.00	72437.00	78274.00	72335.00	68448.00	64637.00	75541.00	73509.00	70889.00	78474.00	63915.00	67389.00	70300.00	70138.00	75529.00	70520.00	71112.00
3,12,15-Trioxo-5?-cholan-24-oic Acid	26659.00	24667.00	24691.00	25309.00	25631.00	25170.00	23293.00	24446.00	24413.00	23159.00	24727.00	27006.00	24784.00	25283.00	26683.00	23776.00	24021.00	25339.00	23801.00	22793.00	26153.00	24946.00	25542.00	25157.00	25208.00	25459.00	20540.00	24022.00	25270.00	26310.00
4-n-Hexylphenol	26716.00	23636.00	25841.00	24169.00	25375.00	24244.00	24611.00	22447.00	22329.00	22990.00	24515.00	26291.00	23904.00	26791.00	22135.00	22836.00	22563.00	22761.00	23436.00	25520.00	24792.00	23729.00	24941.00	20252.00	23922.00	21121.00	22022.00	21781.00	24614.00	23503.00
Anandamide (20:2, n-6) Esi+12.640998	76068.00	22020.00	125644.00	11696.00	24501.00	7608.00	7279.00	114154.00	5239.00	57106.00	13762.00	72362.00	82539.00	26042.00	3678.00	9511.00	1.00	118588.00	16198.00	13295.00	21328.00	21297.00	24749.00	4394.00	9207.00	11039.00	67190.00	11804.00	13982.00	160783.00
12-oxo-10Z-octadecenoic acid Esi+10.4349985	13239.00	11630.00	5518.00	6679.00	4817.00	25527.00	24535.00	22408.00	1.00	12853.00	15796.00	17079.00	20645.00	21244.00	5443.00	6696.00	13314.00	14557.00	13931.00	11814.00	20527.00	11702.00	17343.00	16702.00	24686.00	22240.00	4546.00	11316.00	15530.00	16286.00
Dichamanetin Esi+9.446003	15337.00	11166.00	13744.00	5455.00	24604.00	19334.00	21044.00	18780.00	10282.00	25365.00	16708.00	6452.00	18368.00	7246.00	12396.00	33142.00	13292.00	1.00	4172.00	16310.00	8703.00	23783.00	15393.00	21144.00	6410.00	4247.00	26639.00	7766.00	17284.00	1.00
C19 H41 N16 O5	8892.00	24116.00	14861.00	8615.00	4646.00	4566.00	9222.00	12467.00	5538.00	4841.00	1.00	3908.00	15808.00	7201.00	26977.00	7739.00	17942.00	20219.00	8076.00	9490.00	1.00	6287.00	11331.00	10856.00	1.00	10460.00	24217.00	7300.00	4585.00	5569.00
l-2-hydroxy-decanoic acid Esi+5.0749984	127173.00	97347.00	73227.00	77601.00	86344.00	128324.00	63384.00	62129.00	74811.00	123782.00	121731.00	51518.00	79212.00	135803.00	76565.00	52233.00	39765.00	63785.00	80241.00	61316.00	52385.00	129084.00	83376.00	35715.00	148140.00	62132.00	112487.00	106499.00	96119.00	65144.00
Gly-Asn-OH	14661.00	25091.00	18467.00	17899.00	11004.00	4530.00	13419.00	15400.00	10219.00	15486.00	12806.00	15123.00	7067.00	13702.00	5261.00	1.00	1.00	13953.00	6368.00	7386.00	14974.00	8967.00	1.00	15908.00	6251.00	12396.00	13678.00	1.00	1.00	20810.00
N-methyl Leukotriene C4	8161.00	14561.00	9132.00	4311.00	5746.00	5685.00	13806.00	7774.00	4848.00	3424.00	1.00	3466.00	17583.00	8373.00	21290.00	4536.00	26044.00	9645.00	13841.00	8586.00	3034.00	6026.00	14093.00	9542.00	1.00	11216.00	20680.00	9426.00	4897.00	7089.00
1?,25-Dihydroxy-2-[3'-(methoxymethoxy)propylidene]-19-norvitamin D3	15865.00	20106.00	19570.00	20060.00	17519.00	17980.00	19654.00	25886.00	15334.00	14597.00	18399.00	19661.00	21825.00	15520.00	16684.00	15779.00	14149.00	15210.00	11795.00	15768.00	14793.00	16678.00	18127.00	20297.00	20775.00	19892.00	21538.00	15641.00	15984.00	22062.00
Dichamanetin Esi+9.670999	15935.00	10897.00	16168.00	6943.00	20964.00	15019.00	19219.00	15764.00	11621.00	20830.00	15294.00	5619.00	19765.00	7421.00	12559.00	33405.00	15689.00	3324.00	4342.00	14446.00	10212.00	20717.00	16490.00	16642.00	1.00	7499.00	21370.00	8950.00	15296.00	1.00
C10 H22 O4	17021.00	12526.00	14584.00	17391.00	15648.00	14371.00	15131.00	15272.00	12778.00	13617.00	9821.00	15097.00	11841.00	14614.00	8688.00	11583.00	15356.00	12108.00	18013.00	12460.00	12263.00	13608.00	18030.00	10454.00	14536.00	15648.00	14658.00	18642.00	10436.00	25306.00
MG(0:0/20:3(11Z,14Z,17Z)/0:0) Esi+11.408998 :1	69339.00	174297.00	156524.00	10849.00	10345.00	24046.00	34287.00	76954.00	11278.00	125083.00	98000.00	23402.00	39539.00	114021.00	14344.00	19685.00	44714.00	42236.00	27491.00	51251.00	38526.00	36357.00	16141.00	238369.00	42379.00	19413.00	28342.00	45233.00	1.00	119404.00
C15 H34 N3 O3	11697.00	12179.00	24104.00	19341.00	18012.00	26181.00	20730.00	22023.00	10168.00	12907.00	10165.00	23343.00	16767.00	18014.00	18030.00	24327.00	28499.00	18296.00	18453.00	25214.00	19013.00	31005.00	20542.00	16699.00	23203.00	35198.00	9996.00	9838.00	21241.00	21167.00
14E-Octadecenal	12384.00	14557.00	13460.00	16212.00	9436.00	10196.00	13745.00	16238.00	14387.00	20747.00	6972.00	8662.00	11943.00	11796.00	8780.00	5690.00	4148.00	11707.00	16028.00	15600.00	9767.00	12128.00	11150.00	12304.00	12501.00	14333.00	16763.00	18911.00	11005.00	23198.00
C9 H7 Cl N O6 S5	25649.00	24650.00	23648.00	23810.00	22871.00	23713.00	23419.00	22114.00	23772.00	20126.00	26745.00	24975.00	23134.00	20226.00	23762.00	4977.00	22420.00	22717.00	23335.00	21525.00	25676.00	20807.00	25126.00	21628.00	22158.00	23059.00	22364.00	23962.00	21852.00	21846.00
C8 H5 Cl N O7 S4	21829.00	21347.00	20343.00	19794.00	21630.00	22150.00	20188.00	22043.00	19610.00	18931.00	21527.00	22396.00	22842.00	18934.00	21363.00	1.00	20197.00	19883.00	22791.00	20389.00	20487.00	20854.00	21520.00	19091.00	21673.00	22897.00	20357.00	19441.00	20794.00	20203.00
1-Naphthylacetylspermine	19079.00	3195.00	14665.00	1.00	1.00	1.00	4126.00	1.00	1.00	7346.00	7903.00	1.00	8842.00	9343.00	1.00	4995.00	5394.00	7023.00	4799.00	1.00	1.00	18304.00	1.00	21587.00	4217.00	1.00	1.00	1.00	1.00	4814.00
His Arg Ala	17251.00	13987.00	15722.00	15724.00	17791.00	20155.00	17392.00	15127.00	14514.00	13889.00	16494.00	18267.00	17576.00	15531.00	17244.00	1.00	19975.00	16451.00	15040.00	16381.00	16882.00	15595.00	23243.00	13593.00	18706.00	18174.00	14611.00	18499.00	20673.00	14656.00
3-(3'-Methylthio)propylmalic acid	18002.00	18119.00	17176.00	14492.00	13762.00	13169.00	12452.00	14078.00	9228.00	12183.00	14255.00	15204.00	11557.00	13123.00	12410.00	11120.00	9297.00	11870.00	11471.00	12767.00	17754.00	15914.00	16217.00	13378.00	12671.00	11222.00	10972.00	12750.00	12814.00	13548.00
C14 H9 N9 O7	14884.00	22090.00	15777.00	19343.00	14622.00	8138.00	13568.00	12295.00	11266.00	12059.00	15107.00	18225.00	8934.00	19531.00	8008.00	1.00	6306.00	17487.00	8079.00	8597.00	15625.00	12880.00	5497.00	15505.00	9496.00	19495.00	14482.00	3271.00	4574.00	16477.00
Polidocanol	13737.00	13264.00	14199.00	11905.00	16033.00	13076.00	16054.00	14197.00	17775.00	17757.00	16461.00	11915.00	10199.00	12545.00	11285.00	13938.00	11433.00	9426.00	9341.00	13160.00	10507.00	14602.00	9540.00	15843.00	13395.00	13017.00	12994.00	10835.00	10643.00	9803.00
N-Nitrososarcosine	19618.00	15687.00	18774.00	20189.00	15552.00	17761.00	17052.00	17067.00	17546.00	15090.00	18258.00	23085.00	18329.00	19677.00	15491.00	12501.00	20196.00	18713.00	18461.00	16032.00	16981.00	18906.00	13501.00	14353.00	21613.00	16648.00	14954.00	13720.00	15202.00	13870.00
Isobutyryl carnitine Esi+3.8410017 :1	32006.00	1.00	14789.00	33716.00	27160.00	13835.00	15361.00	7629.00	8081.00	112187.00	8303.00	1.00	38444.00	10926.00	43674.00	1.00	4284.00	59750.00	7839.00	21242.00	4777.00	12152.00	5601.00	9810.00	5138.00	22328.00	59861.00	3288.00	4604.00	118039.00
C10 H22 O3	19558.00	13717.00	14489.00	15056.00	12629.00	16904.00	8118.00	12250.00	12286.00	18664.00	15991.00	6516.00	11950.00	18722.00	9807.00	6468.00	6042.00	11261.00	9640.00	10422.00	6699.00	22932.00	12238.00	3340.00	20966.00	6816.00	16514.00	13024.00	13283.00	9561.00
9-hydroxy-decanoic acid	100312.00	78317.00	74340.00	59672.00	69359.00	99126.00	55821.00	17493.00	60218.00	98266.00	88951.00	42670.00	62300.00	106021.00	60611.00	43216.00	34146.00	50515.00	63065.00	50889.00	12986.00	134994.00	68108.00	30968.00	115358.00	49847.00	89113.00	85909.00	77468.00	54632.00
19-hydroxy-Resolvin E1	20658.00	20704.00	22128.00	21195.00	22571.00	22125.00	22205.00	20112.00	20751.00	20579.00	20572.00	23511.00	20902.00	21951.00	21106.00	22897.00	20603.00	20731.00	22637.00	20463.00	23339.00	20214.00	21717.00	22372.00	21382.00	20994.00	18474.00	21041.00	19257.00	22326.00
24-Nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-pentol Esi+11.635002	32231.00	33890.00	33742.00	34207.00	27070.00	31128.00	33259.00	38943.00	24369.00	27837.00	32515.00	29465.00	29967.00	32302.00	29686.00	34182.00	24954.00	27221.00	34824.00	34239.00	32906.00	37645.00	32740.00	32900.00	30983.00	31855.00	32528.00	32958.00	33411.00	35275.00
LysoPE(22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	9016.00	6870.00	10968.00	7376.00	3249.00	1.00	9256.00	11972.00	6655.00	19866.00	4873.00	1.00	7268.00	5510.00	3627.00	1.00	1.00	7521.00	6558.00	8420.00	3494.00	1.00	5212.00	8062.00	7543.00	10996.00	14377.00	9863.00	4574.00	19376.00
CAY10598	11662.00	10446.00	11832.00	9514.00	10716.00	10728.00	11672.00	18926.00	8285.00	10794.00	10576.00	9744.00	9713.00	9330.00	10817.00	11335.00	10164.00	10301.00	9890.00	10652.00	10194.00	10696.00	9452.00	10577.00	11429.00	11419.00	11588.00	9714.00	10258.00	23331.00
Desmethylzopiclone	20159.00	25317.00	26739.00	20580.00	16358.00	9835.00	19663.00	22647.00	13273.00	20300.00	19970.00	16201.00	14135.00	15895.00	17197.00	6223.00	11436.00	15910.00	18657.00	18986.00	17163.00	15909.00	7312.00	16686.00	11926.00	12079.00	17812.00	14242.00	7050.00	18886.00
3-Butylidene-7-hydroxyphthalide Esi+11.963005	18863.00	18998.00	17714.00	25677.00	23356.00	15086.00	16864.00	18433.00	17618.00	18718.00	24245.00	20901.00	16395.00	17964.00	16195.00	17502.00	17044.00	17550.00	16624.00	19769.00	21539.00	21759.00	31485.00	17094.00	21115.00	17298.00	18947.00	18095.00	20092.00	17433.00
PC(2:0/O-16:0)[U]	14765.00	10916.00	11621.00	51620.00	8750.00	19328.00	45585.00	46365.00	79974.00	21467.00	6748.00	5880.00	7916.00	17456.00	1.00	4160.00	1.00	4535.00	26588.00	14789.00	7834.00	54944.00	16229.00	13783.00	22234.00	54128.00	13345.00	65823.00	32770.00	105986.00
ent-Corey PG-Lactone Diol	8422.00	9850.00	13071.00	4430.00	3394.00	10528.00	14787.00	8463.00	8894.00	15164.00	22163.00	18802.00	10209.00	10771.00	8061.00	9046.00	5489.00	14671.00	18460.00	10000.00	3170.00	10322.00	5235.00	21870.00	4567.00	13329.00	3492.00	12442.00	1.00	15033.00
D-1-Aminopropan-2-ol O-phosphate	16971.00	9532.00	20282.00	20550.00	9416.00	5694.00	11698.00	12735.00	9182.00	23729.00	8427.00	4083.00	4441.00	6639.00	4083.00	1.00	3500.00	5739.00	11076.00	9145.00	4154.00	6273.00	1.00	10549.00	9681.00	6819.00	9998.00	5719.00	3277.00	24127.00
dodecanamide Esi+10.543	41935.00	42167.00	41309.00	38354.00	29139.00	37201.00	44466.00	35801.00	39596.00	42739.00	42224.00	44216.00	37298.00	44955.00	43649.00	39328.00	35610.00	33502.00	36115.00	33961.00	31813.00	40058.00	46242.00	17733.00	38789.00	30366.00	33364.00	35296.00	36223.00	34978.00
Phytuberin	22507.00	24688.00	20403.00	22110.00	23602.00	24654.00	21647.00	25278.00	22521.00	25381.00	20941.00	22548.00	23428.00	22174.00	22811.00	21070.00	25376.00	27650.00	21357.00	24566.00	21103.00	21852.00	21422.00	22645.00	25140.00	25030.00	22350.00	24597.00	22752.00	28348.00
alpha,4,2'-Trihydroxy-4-O-geranyldihydrochalcone	18215.00	15553.00	13934.00	14736.00	13435.00	11744.00	18961.00	13943.00	10837.00	19711.00	14785.00	10854.00	11863.00	19908.00	15435.00	11369.00	16490.00	8209.00	13228.00	12932.00	11700.00	12280.00	11998.00	15306.00	15772.00	12025.00	11256.00	11889.00	10872.00	14618.00
C14 H30 O3 Esi+9.155	4098.00	3376.00	1.00	7005.00	5893.00	11435.00	1.00	3580.00	1.00	4694.00	6173.00	1.00	6961.00	8051.00	5379.00	1.00	1.00	3869.00	4783.00	3739.00	1.00	21055.00	3971.00	1.00	18728.00	1.00	1.00	1.00	7737.00	1.00
l-2-hydroxy-decanoic acid Esi+5.0709996	127397.00	96989.00	93363.00	25002.00	80385.00	125879.00	13884.00	78717.00	74703.00	121797.00	120756.00	51157.00	83128.00	126000.00	75912.00	52233.00	39765.00	19040.00	79810.00	61897.00	53100.00	44227.00	83376.00	25748.00	146737.00	62341.00	110426.00	106090.00	95475.00	65144.00
5-Hepten-3-yn-1-ol, 2,2-dimethyl-7-[(1-naphthalenylmethyl)amino]-, (E)-	21609.00	19597.00	20057.00	19749.00	18323.00	19334.00	20132.00	18490.00	19245.00	18041.00	16800.00	23102.00	21266.00	20436.00	19288.00	18382.00	20726.00	19201.00	17432.00	18789.00	21346.00	21091.00	19767.00	20088.00	20044.00	19545.00	16294.00	18112.00	18011.00	18558.00
18-hydroxy-9R,10S-epoxy-stearic acid Esi+10.449002	26437.00	28668.00	7723.00	10482.00	29209.00	14248.00	60468.00	11376.00	19231.00	29121.00	41724.00	10068.00	16504.00	8693.00	36103.00	10215.00	13381.00	35256.00	41164.00	9594.00	13462.00	11009.00	61972.00	14091.00	6690.00	157341.00	9067.00	37848.00	45565.00	8277.00
C23 H52 N23 O	15260.00	22176.00	19151.00	20175.00	16308.00	15329.00	18581.00	20496.00	15544.00	11995.00	20266.00	19116.00	19036.00	14946.00	14053.00	18147.00	15138.00	14661.00	13055.00	15257.00	18372.00	16468.00	16283.00	20243.00	18569.00	18865.00	17470.00	14279.00	16622.00	17560.00
(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone	13930.00	14984.00	14235.00	17690.00	17225.00	14274.00	12716.00	13748.00	12821.00	14259.00	20936.00	14430.00	12465.00	13913.00	13369.00	12751.00	13019.00	14776.00	13134.00	16549.00	15015.00	16905.00	20758.00	13703.00	15394.00	13488.00	12880.00	14371.00	14273.00	15472.00
Tutin	20343.00	16152.00	16053.00	17276.00	15856.00	11510.00	19870.00	17122.00	12740.00	20553.00	14482.00	11153.00	13813.00	19966.00	15004.00	12376.00	17274.00	10197.00	12599.00	14657.00	12684.00	15024.00	11619.00	17871.00	17876.00	13006.00	12086.00	11531.00	13064.00	16403.00
Artelinic acid	7401.00	8280.00	6410.00	8486.00	7236.00	7950.00	10352.00	8431.00	7342.00	7044.00	8379.00	9955.00	7750.00	8032.00	7378.00	13195.00	11152.00	8852.00	7912.00	20019.00	8860.00	7059.00	9456.00	9076.00	7482.00	12876.00	6703.00	10728.00	8988.00	7823.00
?-D-Glucose Esi+0.90100044 :2	69959.00	30531.00	50970.00	42242.00	62458.00	68891.00	48255.00	59243.00	59508.00	58938.00	46168.00	38683.00	47974.00	43996.00	49170.00	1.00	33934.00	38114.00	59489.00	39549.00	52155.00	50174.00	19613.00	43092.00	41196.00	62076.00	69325.00	20610.00	54737.00	56360.00
PE-NMe2(O-14:0/O-14:0)	29241.00	20033.00	26047.00	29492.00	29523.00	30795.00	25033.00	23910.00	24441.00	21758.00	32333.00	28625.00	31698.00	27485.00	27236.00	24557.00	24826.00	27633.00	26457.00	27860.00	32594.00	23354.00	31169.00	24107.00	20558.00	24505.00	23642.00	20762.00	28824.00	27440.00
CAY10580	19557.00	20811.00	12075.00	3025.00	1.00	9837.00	11006.00	1.00	7250.00	10874.00	11360.00	3670.00	11026.00	15334.00	1.00	9532.00	11579.00	20836.00	6223.00	7145.00	1.00	10808.00	3284.00	20969.00	6047.00	1.00	1.00	8422.00	1.00	9464.00
Secbumeton	125505.00	617783.00	76166.00	73291.00	56039.00	60501.00	99213.00	263343.00	81974.00	120373.00	778026.00	491001.00	90142.00	81328.00	67501.00	95162.00	244245.00	13455.00	362307.00	76165.00	12420.00	41168.00	21646.00	78882.00	14651.00	29676.00	20776.00	83540.00	15727.00	290196.00
C50 H82 N6 O	20301.00	21517.00	18650.00	21664.00	22500.00	23023.00	19351.00	19280.00	20076.00	16602.00	21964.00	24013.00	20308.00	20695.00	21821.00	22174.00	18012.00	20145.00	15945.00	17705.00	22417.00	21285.00	23115.00	22146.00	19779.00	20296.00	18616.00	17475.00	21540.00	17100.00
C18 H24 N10 O9	11057.00	10669.00	13119.00	11480.00	16098.00	12933.00	17690.00	14933.00	7889.00	19465.00	18012.00	7732.00	5900.00	8957.00	7477.00	13656.00	7665.00	5665.00	7994.00	15574.00	8441.00	15278.00	8221.00	17580.00	8707.00	8494.00	15920.00	8220.00	10842.00	5841.00
Zingerone	36206.00	37390.00	34037.00	34409.00	31941.00	33291.00	38092.00	25400.00	28956.00	37870.00	31911.00	31461.00	28752.00	34659.00	38364.00	26448.00	32203.00	27399.00	28128.00	34128.00	34435.00	27923.00	38369.00	21399.00	18009.00	38101.00	15234.00	37371.00	35187.00	34874.00
C20 H35 N23	4351.00	13576.00	5630.00	1.00	3626.00	1.00	10953.00	1.00	1.00	3161.00	1.00	3111.00	13072.00	4348.00	23599.00	4343.00	14928.00	9602.00	7416.00	5354.00	1.00	1.00	10134.00	5263.00	1.00	11651.00	11318.00	10183.00	1.00	3459.00
Anthopleurine	7539.00	6111.00	6970.00	12444.00	7645.00	10910.00	9403.00	8407.00	10342.00	17736.00	12383.00	8401.00	9890.00	8188.00	6624.00	1.00	1.00	6325.00	13554.00	11482.00	7717.00	7821.00	6821.00	13159.00	18287.00	7281.00	7314.00	12896.00	3651.00	25540.00
3beta-Acetoxy-4-oplopanone	18836.00	12528.00	7405.00	1.00	1.00	6662.00	1.00	1.00	10565.00	6240.00	7565.00	1.00	3952.00	19875.00	1.00	6993.00	3722.00	12448.00	5439.00	5211.00	1.00	13094.00	3860.00	5598.00	1.00	1.00	1.00	8104.00	1.00	3142.00
C10 H2 O13 S	21529.00	19438.00	19800.00	20368.00	21524.00	22632.00	22121.00	18094.00	16182.00	16020.00	22505.00	23329.00	21682.00	17220.00	20942.00	8554.00	21683.00	21653.00	19866.00	20163.00	21844.00	19879.00	24066.00	19047.00	13207.00	22151.00	20984.00	21774.00	22738.00	19480.00
trans-3-Aminocyclopentane-1-carboxylic acid Esi+1.0260005	4886.00	4703.00	5356.00	11146.00	13562.00	9821.00	1.00	36041.00	9732.00	31234.00	18142.00	32040.00	41583.00	3534.00	3921.00	1.00	19144.00	6241.00	93421.00	3328.00	8819.00	6707.00	1.00	26705.00	16695.00	14954.00	20805.00	4648.00	8497.00	40086.00
Dantrolene	15100.00	16062.00	12684.00	14486.00	14164.00	13552.00	10965.00	10080.00	11111.00	10906.00	16093.00	18263.00	10778.00	12230.00	11454.00	11025.00	10812.00	10752.00	8747.00	10211.00	18528.00	15251.00	13947.00	15376.00	13439.00	11948.00	9322.00	10325.00	10053.00	8697.00
C16 H34 O4 Esi+11.743996	27418.00	27685.00	28708.00	44833.00	25175.00	44237.00	39771.00	37923.00	19838.00	22924.00	25916.00	37824.00	33414.00	29452.00	26429.00	38102.00	57324.00	32212.00	29694.00	51563.00	36563.00	53811.00	39504.00	30445.00	36487.00	77547.00	22750.00	22391.00	37944.00	36207.00
C30 H55 N12	9159.00	10139.00	22249.00	9712.00	9330.00	8038.00	8275.00	24018.00	8789.00	9788.00	9620.00	19905.00	15601.00	8996.00	9502.00	7740.00	8355.00	7956.00	7050.00	6721.00	16041.00	9409.00	15477.00	9448.00	8991.00	24146.00	9592.00	8253.00	8734.00	16117.00
O-Demethylmetoprolol	14271.00	5600.00	12147.00	4845.00	7989.00	3560.00	7987.00	19512.00	1.00	12980.00	6185.00	17170.00	15795.00	8349.00	1.00	1.00	1.00	18743.00	6807.00	6599.00	8023.00	9097.00	3324.00	3198.00	4652.00	6332.00	12077.00	1.00	3959.00	20130.00
(R)-5-Phosphomevalonate	9874.00	1.00	5071.00	3786.00	5685.00	17093.00	10856.00	16041.00	12677.00	6048.00	1.00	7568.00	9269.00	9215.00	10037.00	1.00	7301.00	4529.00	12844.00	6288.00	1.00	13140.00	5664.00	3690.00	8523.00	11795.00	12608.00	3727.00	21711.00	8822.00
Nupharidine	14919.00	11759.00	14021.00	14214.00	13538.00	12535.00	12027.00	13186.00	14609.00	13376.00	13189.00	15685.00	15866.00	13445.00	12250.00	14213.00	13216.00	12999.00	14402.00	13451.00	19937.00	13794.00	14315.00	12168.00	13036.00	13403.00	13170.00	13326.00	13238.00	13166.00
Leupeptin	16638.00	18825.00	16764.00	17357.00	15332.00	15635.00	15807.00	17101.00	16806.00	22015.00	12562.00	15711.00	14841.00	16206.00	14303.00	11808.00	9433.00	16652.00	17522.00	16630.00	14508.00	17455.00	16550.00	16881.00	15238.00	17138.00	17911.00	20260.00	18118.00	21235.00
Aragusteroketal	13302.00	17498.00	19638.00	13766.00	11428.00	16112.00	12513.00	20330.00	12745.00	13865.00	14812.00	20344.00	19308.00	14337.00	13486.00	17831.00	13622.00	14387.00	12565.00	13240.00	18088.00	12397.00	15655.00	18807.00	19469.00	18815.00	17866.00	11779.00	13004.00	16265.00
C28 H57 N8 O4	26381.00	26373.00	40137.00	35547.00	24514.00	18340.00	30804.00	19220.00	32001.00	29803.00	28650.00	24640.00	21676.00	29500.00	28114.00	19462.00	21787.00	15727.00	19935.00	32004.00	18307.00	39879.00	30545.00	22762.00	19646.00	18557.00	28373.00	14862.00	28792.00	56290.00
Ile Cys Pro Esi+8.72	99135.00	105850.00	91583.00	94176.00	90239.00	87317.00	90115.00	80007.00	100619.00	94878.00	92370.00	90853.00	89419.00	94468.00	98780.00	94008.00	101837.00	81530.00	90523.00	97799.00	101457.00	101375.00	98957.00	99446.00	91982.00	92511.00	77531.00	93920.00	95230.00	83988.00
C23 H15 N7 O19 S	15533.00	17696.00	14608.00	17318.00	11008.00	13369.00	15734.00	19673.00	12696.00	12333.00	16669.00	16894.00	21228.00	14165.00	13336.00	13545.00	13136.00	11929.00	10401.00	12530.00	16089.00	14471.00	14355.00	16924.00	15648.00	16508.00	17675.00	11337.00	12983.00	18839.00
Lys Val Val	17545.00	19680.00	19763.00	19648.00	15483.00	15139.00	20051.00	23249.00	15319.00	14522.00	20017.00	19345.00	21851.00	12633.00	15474.00	19301.00	15176.00	12934.00	12580.00	16172.00	18250.00	17131.00	17534.00	17437.00	19425.00	17978.00	20194.00	13917.00	16733.00	17820.00
C11 H20 N7 Esi+5.910999 :1	102510.00	79389.00	92260.00	141995.00	85838.00	167677.00	129397.00	112385.00	62981.00	118043.00	105642.00	129263.00	162289.00	164798.00	125265.00	152905.00	138745.00	168478.00	119005.00	203921.00	125825.00	231265.00	120178.00	96420.00	158907.00	196831.00	88559.00	116274.00	132294.00	129114.00
Palmitic amide	5781.00	5438.00	8916.00	5495.00	3178.00	4131.00	4917.00	9496.00	4538.00	8436.00	4594.00	9897.00	3979.00	4169.00	4617.00	6351.00	5477.00	13269.00	7117.00	5571.00	4661.00	6715.00	4391.00	4915.00	5296.00	4612.00	5249.00	4311.00	6205.00	21486.00
C10 H16 N4 Esi+4.932999	112898.00	91119.00	94450.00	95694.00	103931.00	140998.00	107754.00	118445.00	101605.00	7012.00	103194.00	113488.00	133845.00	137382.00	111136.00	113462.00	110360.00	117659.00	122857.00	8309.00	98348.00	141537.00	105109.00	89437.00	126834.00	118124.00	103984.00	8278.00	110752.00	127784.00
C24 H49 N3 O	6781.00	5746.00	10491.00	4030.00	3688.00	1.00	1.00	13292.00	1.00	8826.00	1.00	10150.00	5877.00	5673.00	1.00	1.00	1.00	16145.00	5633.00	1.00	1.00	1.00	1.00	1.00	3658.00	3052.00	6511.00	3044.00	1.00	19096.00
C16 H5 O20 S	17690.00	20310.00	15934.00	20566.00	13234.00	15021.00	16877.00	23160.00	14193.00	14065.00	19592.00	19991.00	20965.00	16308.00	15914.00	16391.00	15174.00	15953.00	14788.00	12382.00	17486.00	13886.00	17029.00	20066.00	19141.00	18235.00	21134.00	13254.00	14564.00	21880.00
C17 Sphinganine Esi+9.852998	12688.00	13145.00	13129.00	12787.00	10699.00	10455.00	11574.00	12122.00	10780.00	11510.00	11166.00	13257.00	10243.00	12995.00	11880.00	10673.00	11167.00	12675.00	11371.00	11772.00	12810.00	19871.00	11931.00	11705.00	12706.00	13344.00	10425.00	12761.00	12015.00	13864.00
11-dehydro-TXB2-d4	5200.00	1.00	13029.00	1.00	1.00	1.00	1.00	12911.00	1.00	5582.00	1.00	7775.00	7034.00	1.00	1.00	1.00	1.00	10326.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	4966.00	1.00	1.00	15689.00
Furmecyclox Esi+6.0090013	11342.00	4261.00	12344.00	4133.00	3306.00	4549.00	5483.00	16598.00	6249.00	11042.00	3590.00	11562.00	13108.00	10633.00	1.00	1.00	1.00	11947.00	5024.00	6376.00	8220.00	6647.00	4080.00	3646.00	5445.00	6541.00	9653.00	3065.00	1.00	12535.00
ADP-D-ribose	16669.00	17406.00	13652.00	13335.00	15388.00	15563.00	12520.00	11332.00	10626.00	10554.00	17074.00	18330.00	11516.00	11153.00	13952.00	10520.00	12169.00	10361.00	9043.00	10016.00	17924.00	15537.00	14686.00	17022.00	14471.00	11261.00	9166.00	9846.00	9706.00	8185.00
Docosanoic acid	9232.00	9423.00	12444.00	9880.00	4834.00	5205.00	8238.00	11069.00	8041.00	11683.00	5023.00	6074.00	5534.00	8933.00	4617.00	3259.00	1.00	7095.00	11076.00	15283.00	6059.00	7275.00	6079.00	8234.00	9023.00	9994.00	10400.00	14013.00	5358.00	17692.00
Madecassic Acid	18110.00	17259.00	17008.00	17915.00	17519.00	19046.00	16920.00	16427.00	18139.00	15394.00	16785.00	19258.00	18382.00	15891.00	15972.00	19311.00	18048.00	16569.00	13473.00	12571.00	17247.00	14088.00	17575.00	16058.00	18850.00	15500.00	15499.00	18816.00	17278.00	14815.00
2-Amino-3,7-dideoxy-D-threo-hept-6-ulosonic acid	15275.00	14339.00	13043.00	16385.00	16217.00	16587.00	14760.00	13191.00	14943.00	12186.00	15171.00	16998.00	18429.00	12209.00	15737.00	17592.00	19381.00	16613.00	16096.00	15267.00	15902.00	14578.00	20708.00	14393.00	17652.00	15034.00	15195.00	18420.00	19643.00	13058.00
4-oxo capric acid	17387.00	11838.00	14441.00	12496.00	12708.00	12479.00	6702.00	9300.00	10530.00	13894.00	12886.00	7672.00	11277.00	13406.00	9758.00	6344.00	5162.00	10964.00	9589.00	5682.00	6608.00	19326.00	9533.00	3985.00	18469.00	5472.00	13141.00	13254.00	10522.00	8857.00
A 80987	11458.00	13333.00	15456.00	25591.00	1.00	17131.00	16867.00	18790.00	11100.00	28804.00	20284.00	10585.00	7140.00	14115.00	8161.00	9967.00	1.00	9406.00	1.00	1.00	9760.00	13994.00	8383.00	21836.00	11394.00	1.00	1.00	9755.00	9406.00	9986.00
Di-n-propylphthalate Esi+8.520997	14758.00	14331.00	16547.00	16182.00	16457.00	16462.00	16890.00	15715.00	15122.00	17467.00	16567.00	19245.00	16030.00	16592.00	13956.00	17284.00	14470.00	14822.00	17618.00	12428.00	16685.00	16685.00	18811.00	13988.00	18307.00	17302.00	14848.00	16017.00	15667.00	15382.00
THTC	8193.00	10833.00	10190.00	19776.00	14624.00	14312.00	8521.00	16891.00	12991.00	8779.00	5496.00	7299.00	3971.00	9585.00	7850.00	3365.00	1.00	13235.00	10374.00	6554.00	6704.00	7300.00	4357.00	13127.00	8413.00	11481.00	7177.00	3445.00	5819.00	9207.00
N-Butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine	15923.00	1.00	15825.00	4195.00	12518.00	15135.00	1.00	16736.00	4897.00	22099.00	3207.00	19233.00	14535.00	14848.00	3008.00	1.00	6664.00	12433.00	62518.00	4116.00	12584.00	19154.00	6291.00	1.00	10228.00	3059.00	6436.00	9446.00	3595.00	10793.00
26:2(5Z,9Z)(24Me)	14727.00	14005.00	14878.00	14441.00	14151.00	13718.00	12624.00	13075.00	12192.00	12388.00	15377.00	16053.00	14028.00	14180.00	12580.00	13278.00	13401.00	11961.00	11853.00	12565.00	14312.00	14628.00	14111.00	14797.00	13662.00	13268.00	10290.00	13224.00	12833.00	13864.00
L-Arginine Esi+1.0090001	19784.00	16379.00	284771.00	439945.00	40232.00	335770.00	27084.00	590507.00	14358.00	13929.00	17601.00	423982.00	22122.00	339448.00	11637.00	17183.00	16401.00	14587.00	349600.00	15858.00	642820.00	20827.00	1.00	308967.00	632870.00	12973.00	14323.00	409668.00	17416.00	12373.00
benzylazanium Esi+3.7920008	32256.00	37780.00	42586.00	26820.00	22051.00	39407.00	36368.00	28696.00	40656.00	23439.00	44106.00	44288.00	6931.00	37181.00	38720.00	44723.00	37284.00	30376.00	23073.00	44115.00	46874.00	27889.00	42982.00	37629.00	40878.00	29399.00	24126.00	37168.00	35685.00	47910.00
20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol	17098.00	15875.00	15301.00	14672.00	14787.00	15044.00	15172.00	14438.00	14120.00	14445.00	14699.00	15899.00	19250.00	15094.00	17380.00	18402.00	15778.00	19301.00	13620.00	17352.00	16287.00	14300.00	15856.00	15023.00	13515.00	19839.00	15852.00	13250.00	15549.00	14774.00
fosphenytoin	14163.00	14797.00	9249.00	12952.00	12919.00	12962.00	8709.00	7566.00	8600.00	8347.00	15520.00	13919.00	9945.00	10297.00	9741.00	10378.00	8474.00	6914.00	7319.00	7652.00	15300.00	12105.00	12933.00	13144.00	12075.00	8612.00	8321.00	9457.00	7401.00	5348.00
Dicyclohexylamine	17716.00	16113.00	19287.00	16044.00	14837.00	18207.00	15469.00	17804.00	14788.00	18674.00	14898.00	18180.00	16540.00	18018.00	15245.00	16582.00	17410.00	16824.00	12557.00	13305.00	17948.00	16543.00	16581.00	15200.00	18233.00	18228.00	15546.00	14431.00	12651.00	15505.00
13(Z)-Docosenoic Acid	7239.00	7459.00	8319.00	7028.00	7096.00	7316.00	10789.00	14958.00	5524.00	19443.00	6826.00	4863.00	5161.00	6677.00	4834.00	4819.00	1.00	6037.00	7236.00	13708.00	5612.00	9858.00	5395.00	12533.00	6818.00	7018.00	11166.00	8647.00	8297.00	10003.00
3-Hydroxyisovalerylcarnitine Esi+3.1770012	27732.00	15561.00	31548.00	50424.00	22531.00	31695.00	58846.00	4092.00	24108.00	82205.00	91727.00	25181.00	113054.00	31575.00	47955.00	9180.00	15953.00	42239.00	49311.00	32864.00	4755.00	25227.00	1.00	17312.00	24507.00	31028.00	123612.00	19215.00	11891.00	74385.00
3-hydroxy-3-methyl-Glutaric acid	16446.00	1.00	6746.00	6031.00	7308.00	18987.00	13134.00	19076.00	17209.00	9077.00	1.00	8054.00	8979.00	8715.00	8963.00	1.00	4798.00	4763.00	13286.00	7033.00	1.00	16218.00	4643.00	4165.00	9702.00	15436.00	14510.00	3668.00	18566.00	15939.00
24-hydroxy-10Z-tetracosenoic acid Esi+14.519005	31202.00	29121.00	27937.00	27428.00	26950.00	26469.00	24533.00	24599.00	26309.00	25636.00	28680.00	30072.00	26017.00	28142.00	20805.00	23545.00	20760.00	24916.00	23336.00	18090.00	27181.00	25033.00	30754.00	24633.00	26979.00	23124.00	25900.00	23912.00	28403.00	24867.00
7-Octenoic acid, 5-oxo-	12969.00	10459.00	12102.00	11893.00	11262.00	17659.00	11028.00	15364.00	13203.00	17702.00	11491.00	8424.00	20177.00	16428.00	16433.00	16770.00	16002.00	15475.00	12899.00	14596.00	13036.00	21434.00	17612.00	10816.00	19183.00	23527.00	12541.00	16319.00	37997.00	11117.00
C13 H29 N	16906.00	17079.00	15471.00	19986.00	17041.00	17044.00	15937.00	16380.00	14215.00	16509.00	16915.00	20525.00	15729.00	17403.00	14618.00	15687.00	18437.00	17382.00	16829.00	17534.00	18764.00	17184.00	17823.00	15829.00	18561.00	18599.00	15269.00	17126.00	15825.00	17573.00
Lys Lys Met	10565.00	7984.00	8760.00	9659.00	9477.00	8713.00	7816.00	16996.00	9413.00	8930.00	8600.00	9579.00	9391.00	8013.00	9014.00	9021.00	7974.00	8348.00	8730.00	9888.00	9151.00	8305.00	7967.00	8834.00	9156.00	8631.00	9100.00	8878.00	8195.00	18751.00
Benz[a]acridine	18937.00	11105.00	7311.00	7110.00	14078.00	13620.00	6044.00	9082.00	9473.00	8994.00	6195.00	7514.00	3481.00	17844.00	17534.00	3686.00	7783.00	1.00	19564.00	11946.00	1.00	6232.00	1.00	13453.00	1.00	20132.00	6114.00	7645.00	4233.00	17132.00
C16 H34 N2 O2	16676.00	15104.00	15889.00	16592.00	14310.00	16316.00	16399.00	16035.00	14570.00	15462.00	14778.00	18077.00	15493.00	15276.00	16810.00	14659.00	13865.00	14474.00	14751.00	16871.00	16640.00	16361.00	16006.00	16646.00	17684.00	15846.00	12580.00	14638.00	16215.00	17301.00
Triphenyl phosphate	15828.00	18740.00	16487.00	15681.00	14144.00	15919.00	16277.00	15028.00	15954.00	14580.00	17201.00	17380.00	16646.00	15122.00	14923.00	15398.00	15672.00	14151.00	16273.00	15238.00	17938.00	16499.00	16919.00	14803.00	16515.00	15181.00	14472.00	13928.00	14765.00	16106.00
PE-NMe(O-14:0/O-14:0)	12714.00	12505.00	11051.00	11557.00	14734.00	12476.00	15508.00	13489.00	9838.00	17010.00	14801.00	10365.00	9936.00	12415.00	11554.00	12017.00	11929.00	10466.00	8499.00	12200.00	9036.00	13514.00	8657.00	15149.00	11045.00	10844.00	11779.00	9337.00	11464.00	8303.00
C15 H29 N O5 Esi+5.2740016	15021.00	11502.00	14178.00	17506.00	13993.00	15010.00	16687.00	15085.00	15374.00	15290.00	15144.00	15721.00	15718.00	13789.00	13440.00	14395.00	15754.00	15225.00	15253.00	13490.00	15379.00	13394.00	13832.00	14074.00	15071.00	17203.00	12440.00	14144.00	14258.00	14179.00
C41 H18 N16 O2 S	14776.00	13507.00	13077.00	11552.00	12643.00	13303.00	7856.00	7636.00	7853.00	7327.00	14401.00	15092.00	9457.00	9447.00	8293.00	8431.00	6918.00	8455.00	6152.00	5615.00	13711.00	13057.00	12905.00	11751.00	10991.00	8426.00	7638.00	7770.00	6399.00	6796.00
C33 H72 N15 O3	8619.00	12927.00	13876.00	13396.00	3383.00	1.00	10863.00	15522.00	11244.00	18161.00	1.00	3701.00	7884.00	9334.00	1.00	1.00	1.00	9174.00	14982.00	15918.00	5158.00	9873.00	7743.00	11012.00	9034.00	11101.00	14736.00	18842.00	8546.00	18370.00
Deoxyhypusine	8567.00	22821.00	11377.00	11442.00	10687.00	9226.00	10450.00	10936.00	7818.00	8764.00	9181.00	10788.00	7774.00	8461.00	20472.00	19440.00	8016.00	7421.00	6577.00	6828.00	17991.00	8546.00	7688.00	20056.00	10460.00	18672.00	7733.00	7562.00	7514.00	8431.00
15-HETE-G Esi+11.989006	15479.00	17099.00	18488.00	16991.00	14172.00	11778.00	15320.00	18048.00	13605.00	18447.00	11074.00	13442.00	14652.00	15419.00	12171.00	15788.00	9529.00	12642.00	16350.00	18705.00	14717.00	15463.00	15894.00	15181.00	14191.00	15306.00	16107.00	17740.00	13489.00	21097.00
13-eicosenoic acid	9775.00	11188.00	7982.00	3606.00	4626.00	14116.00	1.00	7002.00	11069.00	9282.00	7301.00	1.00	3988.00	14728.00	7887.00	1.00	1.00	6667.00	4949.00	1.00	1.00	19892.00	6554.00	4280.00	5583.00	1.00	8370.00	7325.00	16293.00	4531.00
ADP-ribose	8829.00	14544.00	19961.00	15066.00	12245.00	1.00	6185.00	14492.00	7574.00	18507.00	11702.00	11410.00	11832.00	5173.00	9039.00	1.00	5063.00	14342.00	15933.00	7639.00	10635.00	8094.00	1.00	14402.00	6444.00	8205.00	14229.00	5791.00	1.00	11994.00
C4 H N2 O2	8853.00	10632.00	8815.00	9946.00	13386.00	9520.00	10242.00	13045.00	9027.00	8613.00	18775.00	9457.00	12958.00	9796.00	11491.00	12999.00	13180.00	12207.00	12160.00	10156.00	13311.00	12047.00	9429.00	11758.00	9559.00	14679.00	12824.00	11405.00	11074.00	10864.00
RO 40-5966 (Methylmibefradil Metabolite)	9369.00	9868.00	10703.00	12235.00	11736.00	11637.00	10750.00	17249.00	10508.00	10777.00	11764.00	10994.00	11235.00	9952.00	12467.00	11271.00	10280.00	11341.00	8858.00	9942.00	16120.00	10863.00	10513.00	10272.00	10562.00	11328.00	10800.00	10393.00	10405.00	11493.00
Costatone	17401.00	16407.00	15772.00	15158.00	15711.00	17955.00	15283.00	17698.00	16172.00	15058.00	19300.00	18151.00	17785.00	15149.00	16098.00	1.00	16945.00	17365.00	19688.00	17375.00	16681.00	16592.00	17160.00	15625.00	17931.00	18780.00	18111.00	17187.00	17608.00	16756.00
PE(18:4(6Z,9Z,12Z,15Z)/19:1(9Z))	13381.00	19012.00	16266.00	16347.00	10994.00	12958.00	13544.00	18726.00	10630.00	11186.00	14416.00	17664.00	20738.00	10734.00	10844.00	11750.00	11570.00	10696.00	9051.00	11249.00	14594.00	12617.00	14056.00	17025.00	14335.00	17191.00	18662.00	10381.00	10674.00	20378.00
Boesenbergin B	15761.00	18329.00	19833.00	15444.00	10790.00	11222.00	16141.00	12441.00	10703.00	13661.00	13274.00	12341.00	9909.00	10930.00	11650.00	1.00	7886.00	11229.00	10184.00	11861.00	10254.00	11508.00	1.00	9049.00	11743.00	12602.00	11670.00	12347.00	3728.00	12639.00
8-hydroxy caprylic acid	28092.00	25892.00	24074.00	21013.00	25858.00	29861.00	19803.00	19655.00	22416.00	29052.00	25531.00	18761.00	17745.00	31665.00	16035.00	13776.00	13575.00	23979.00	22882.00	17801.00	18517.00	30662.00	26344.00	12385.00	28258.00	16834.00	28310.00	31061.00	24029.00	21983.00
Ophiopogonin B	9574.00	6195.00	8783.00	7711.00	8759.00	8271.00	7865.00	15645.00	7294.00	7450.00	7359.00	8409.00	7838.00	7375.00	8752.00	8091.00	7602.00	7919.00	8302.00	8119.00	6899.00	6691.00	8034.00	7394.00	8884.00	8397.00	7459.00	6422.00	7380.00	19590.00
C11 H18 N7	13226.00	15570.00	6041.00	4676.00	15667.00	11045.00	7429.00	5110.00	8605.00	8908.00	5165.00	5204.00	1.00	12037.00	1.00	1.00	3847.00	7011.00	12346.00	1.00	1.00	6860.00	10052.00	1.00	6170.00	6522.00	10833.00	18319.00	1.00	14645.00
C22 H41 N O	348744.00	414201.00	459114.00	439321.00	274891.00	260630.00	388594.00	504738.00	399018.00	624640.00	190143.00	296246.00	358175.00	376045.00	256952.00	173294.00	113539.00	436011.00	469093.00	478362.00	287980.00	358591.00	325526.00	384909.00	342743.00	406390.00	491770.00	567197.00	350579.00	851405.00
Onchidal	14897.00	15831.00	16218.00	13765.00	16145.00	18229.00	16671.00	13679.00	15171.00	14318.00	15947.00	19084.00	15766.00	14726.00	14551.00	16000.00	15731.00	14513.00	15206.00	17554.00	16307.00	19108.00	14794.00	17441.00	18250.00	15428.00	13817.00	16687.00	14450.00	17297.00
Arg Arg His	14168.00	11644.00	13707.00	11705.00	14233.00	13662.00	12428.00	8124.00	14216.00	10819.00	11625.00	15006.00	15103.00	14833.00	14277.00	17292.00	18952.00	15430.00	6343.00	10139.00	14605.00	13929.00	16396.00	10078.00	11818.00	12435.00	14701.00	11248.00	13219.00	10912.00
Marchantin A	17850.00	15343.00	18150.00	17983.00	18025.00	15209.00	15509.00	15242.00	15164.00	15283.00	17739.00	18642.00	15376.00	15917.00	15522.00	15755.00	13949.00	15667.00	14617.00	15728.00	17500.00	15344.00	15849.00	17658.00	15616.00	16076.00	16302.00	15505.00	16868.00	14981.00
12-amino-octadecanoic acid	7820.00	13240.00	12272.00	10236.00	1.00	3796.00	4046.00	16103.00	8427.00	9729.00	1.00	4726.00	4099.00	11763.00	1.00	1.00	1.00	1.00	3232.00	3815.00	3980.00	8238.00	3994.00	9203.00	11776.00	6775.00	3740.00	6352.00	4255.00	7108.00
Aureothin	19324.00	17826.00	14447.00	16223.00	15283.00	18555.00	19416.00	15318.00	16685.00	11279.00	18671.00	19656.00	20109.00	13315.00	17991.00	16956.00	23711.00	20453.00	13659.00	13369.00	18321.00	17462.00	17832.00	13670.00	17600.00	15748.00	13597.00	17952.00	15296.00	10145.00
C21 H31 O9	6800.00	1.00	8175.00	1.00	3762.00	1.00	3822.00	1.00	3032.00	5150.00	1.00	1.00	10379.00	1.00	5319.00	10697.00	1.00	1.00	1.00	1.00	1.00	1.00	6675.00	1.00	1.00	1.00	4680.00	1.00	1.00	1.00
dodecanamide Esi+11.109001	26926.00	26345.00	31616.00	35636.00	25814.00	30031.00	34015.00	35043.00	26208.00	34018.00	29196.00	36280.00	36166.00	32478.00	23639.00	35051.00	29880.00	33949.00	30064.00	40287.00	43350.00	35285.00	35446.00	26202.00	29853.00	29929.00	26978.00	27356.00	29588.00	51030.00
13,14-dihydro-15-keto-PGF2?-d4 Esi+14.324002	40955.00	38699.00	43868.00	31868.00	31905.00	12347.00	21190.00	63165.00	13775.00	49264.00	27130.00	58993.00	39355.00	41940.00	6247.00	4135.00	10830.00	66762.00	34992.00	27112.00	28320.00	29950.00	16194.00	18074.00	31235.00	27877.00	40263.00	28107.00	13602.00	98899.00
Athamantin Esi+9.451997 :2	43494.00	36077.00	44189.00	22549.00	72680.00	53965.00	63648.00	52179.00	32722.00	64949.00	48865.00	20686.00	53014.00	25758.00	34909.00	88258.00	40322.00	17049.00	16622.00	47311.00	26675.00	67301.00	42512.00	56992.00	22652.00	17160.00	70208.00	28595.00	51113.00	9641.00
Deoxymiroestrol Esi+11.476997	14173.00	11739.00	15318.00	14284.00	12787.00	12679.00	13051.00	12691.00	11289.00	11701.00	12009.00	14560.00	14007.00	10937.00	12798.00	11904.00	15171.00	14379.00	10579.00	14219.00	10271.00	9938.00	13671.00	12389.00	12588.00	13564.00	10800.00	14147.00	13671.00	14311.00
Theonellasterol B Esi+10.714002	12111.00	1.00	22519.00	1.00	5861.00	1.00	6717.00	36292.00	1.00	25083.00	1.00	28408.00	20525.00	23056.00	1.00	1.00	1.00	12321.00	1.00	4106.00	7096.00	4005.00	1.00	1.00	1.00	1.00	10719.00	1.00	1.00	43093.00
C19 H11 O22 S	12461.00	15565.00	13565.00	16519.00	11919.00	11948.00	14845.00	16579.00	11531.00	11241.00	15228.00	16426.00	16786.00	10889.00	14283.00	17041.00	13165.00	14533.00	11555.00	13814.00	13990.00	12211.00	15526.00	14345.00	15949.00	15877.00	17447.00	10311.00	13974.00	15755.00
6-Hydroxynicotinic acid	1.00	6761.00	8102.00	6207.00	1.00	1.00	1.00	6129.00	8673.00	11154.00	4515.00	12836.00	22374.00	1.00	3482.00	1.00	5059.00	1.00	7187.00	3060.00	13330.00	6040.00	1.00	14995.00	15354.00	6340.00	7989.00	1.00	5586.00	12119.00
PE(22:4(7Z,10Z,13Z,16Z)/0:0)	5037.00	6866.00	12019.00	6893.00	1.00	1.00	4569.00	8153.00	6278.00	9810.00	1.00	1.00	4247.00	6407.00	4108.00	1.00	1.00	3788.00	6250.00	7002.00	1.00	3941.00	4606.00	5456.00	5474.00	6939.00	9234.00	6156.00	3472.00	14661.00
N-(diphenylmethylene) Glycine benzyl ester	11179.00	9857.00	12874.00	11916.00	7752.00	6669.00	12120.00	13525.00	7121.00	17776.00	11791.00	5915.00	5973.00	9883.00	5511.00	5923.00	3165.00	6294.00	5859.00	9385.00	7371.00	8910.00	6288.00	12511.00	10136.00	8725.00	11150.00	6735.00	6884.00	8578.00
4,12-dihydroxy-hexadecanoic acid	9776.00	8440.00	10150.00	7905.00	7959.00	9077.00	7368.00	9411.00	9684.00	7031.00	6895.00	10375.00	9141.00	10020.00	7440.00	8883.00	8719.00	9354.00	6519.00	6384.00	8501.00	11952.00	12218.00	7829.00	12499.00	6017.00	8390.00	7033.00	8001.00	8039.00
C27 H29 N22 O	5962.00	4749.00	18811.00	3609.00	3069.00	1.00	1.00	8758.00	3615.00	13551.00	4443.00	3161.00	8000.00	3410.00	3268.00	3764.00	1.00	3413.00	5112.00	4340.00	3156.00	3041.00	4301.00	1.00	3483.00	3775.00	6082.00	3437.00	1.00	9520.00
Deoxycytosine	14250.00	4247.00	1.00	4787.00	5321.00	4079.00	6833.00	13863.00	1.00	10838.00	5775.00	16457.00	15602.00	9321.00	1.00	1.00	1.00	15566.00	6738.00	1.00	7382.00	8674.00	1.00	3027.00	5110.00	7279.00	10102.00	1.00	3410.00	16375.00
C18 H5 N2 O22	13926.00	16115.00	14381.00	16591.00	12460.00	12027.00	13985.00	16776.00	11759.00	11469.00	15940.00	15966.00	18383.00	12985.00	13386.00	13810.00	12579.00	11466.00	11426.00	13129.00	15730.00	13467.00	12767.00	15872.00	15963.00	14813.00	15021.00	9802.00	12800.00	18052.00
Athamantin Esi+9.673003 :1	38835.00	1.00	43104.00	1.00	60198.00	44039.00	50090.00	39690.00	29723.00	53556.00	42536.00	1.00	47446.00	20858.00	31372.00	74031.00	39742.00	20501.00	13312.00	36270.00	1.00	52794.00	39399.00	46933.00	19010.00	1.00	61747.00	24377.00	36350.00	8121.00
C20 H31 N9 O9	9521.00	16790.00	7757.00	9655.00	8512.00	4104.00	7860.00	5959.00	3683.00	4538.00	8832.00	10135.00	4051.00	12464.00	3097.00	1.00	1.00	8936.00	1.00	1.00	7616.00	5638.00	1.00	7088.00	3757.00	11879.00	7563.00	1.00	1.00	6796.00
Saccharocin	5407.00	4149.00	14503.00	3519.00	1.00	1.00	3335.00	8004.00	4143.00	11571.00	5265.00	3485.00	6679.00	3997.00	3938.00	3933.00	1.00	4455.00	5098.00	4511.00	1.00	1.00	3897.00	3554.00	3966.00	4436.00	4931.00	3908.00	3053.00	9439.00
Falcarinone Esi+10.0859995	3102.00	3231.00	1.00	1.00	3287.00	12503.00	8340.00	4557.00	4212.00	3174.00	1.00	3357.00	9465.00	7332.00	5618.00	5974.00	6122.00	11906.00	5788.00	7466.00	1.00	1.00	3794.00	14697.00	10524.00	15146.00	3710.00	9464.00	4493.00	4582.00
C13 H16 N14 O5	14190.00	11748.00	13995.00	15510.00	16409.00	14632.00	16662.00	12748.00	11221.00	15594.00	15124.00	13729.00	13111.00	13291.00	12821.00	14851.00	13261.00	11815.00	10453.00	14301.00	14599.00	16866.00	12689.00	16582.00	12563.00	13371.00	13277.00	10867.00	14384.00	12773.00
2-methyl-dodecanedioic acid	4318.00	5024.00	6262.00	7249.00	3291.00	9459.00	6938.00	6246.00	3485.00	6131.00	8575.00	6072.00	9281.00	10249.00	7006.00	7598.00	6622.00	20456.00	6684.00	6027.00	12568.00	7493.00	8452.00	5145.00	9719.00	6814.00	4686.00	6498.00	10586.00	8417.00
Pro Met	10972.00	13194.00	12426.00	12122.00	8065.00	6892.00	7698.00	17007.00	11657.00	10795.00	13249.00	17023.00	8349.00	8592.00	6007.00	7497.00	7648.00	6175.00	8264.00	8731.00	13541.00	13163.00	1.00	10385.00	13950.00	7088.00	7389.00	12338.00	5303.00	6906.00
Triethylenemelamine	16700.00	15635.00	15494.00	13746.00	15811.00	17423.00	14587.00	12937.00	16115.00	13760.00	16708.00	16951.00	14961.00	15223.00	12867.00	14005.00	16108.00	15480.00	15824.00	14779.00	16596.00	14808.00	15470.00	12605.00	14788.00	11394.00	13269.00	15744.00	15912.00	14647.00
C18 H30 N13 O11	15354.00	15880.00	16046.00	12926.00	12433.00	8464.00	14957.00	13310.00	10521.00	10810.00	14184.00	10444.00	8742.00	11853.00	11535.00	1.00	7066.00	13354.00	10713.00	12466.00	13675.00	11900.00	1.00	10788.00	9734.00	10176.00	13406.00	9517.00	3343.00	11042.00
Cys Cys	4930.00	5052.00	3380.00	16175.00	13655.00	1.00	7061.00	6528.00	7238.00	4897.00	1.00	5379.00	8354.00	4292.00	5456.00	4196.00	7811.00	5869.00	11061.00	6302.00	1.00	4091.00	1.00	4198.00	5121.00	8527.00	11408.00	1.00	6764.00	6895.00
Leukotriene E4 methyl ester	13627.00	11308.00	13029.00	12723.00	12833.00	12624.00	12655.00	12899.00	13285.00	12400.00	11277.00	14628.00	12797.00	12494.00	11185.00	11963.00	13421.00	12601.00	12459.00	12964.00	13779.00	13344.00	13501.00	10333.00	12774.00	13184.00	12418.00	12034.00	13503.00	13285.00
C28 H59 N11 O4	27617.00	29914.00	38945.00	28377.00	40655.00	26160.00	35743.00	27059.00	32634.00	35429.00	27965.00	25556.00	17340.00	25536.00	28429.00	26454.00	34061.00	24911.00	18189.00	25339.00	25399.00	31330.00	21283.00	29055.00	22871.00	26349.00	34013.00	22367.00	27003.00	20776.00
C30 H59 N18 O	4410.00	7558.00	8434.00	4890.00	3188.00	5259.00	5045.00	17963.00	3294.00	3448.00	4954.00	7370.00	5735.00	4885.00	4572.00	4136.00	4663.00	4411.00	3892.00	3784.00	4953.00	4034.00	4552.00	5351.00	5321.00	6902.00	4848.00	3791.00	3731.00	4299.00
Methyl acetyl ricinoleate	17816.00	21714.00	23543.00	19700.00	15807.00	15720.00	18564.00	23552.00	16900.00	23106.00	12467.00	13407.00	18743.00	17630.00	15568.00	12717.00	12326.00	16097.00	19601.00	22131.00	16678.00	22011.00	16731.00	19734.00	13595.00	18983.00	23083.00	22148.00	17960.00	26427.00
Dioscorine	13402.00	12448.00	13716.00	15143.00	14062.00	13963.00	12782.00	14388.00	14467.00	13544.00	14404.00	15734.00	12767.00	12694.00	13960.00	12522.00	13079.00	14350.00	12859.00	12834.00	14727.00	14408.00	14387.00	12390.00	14915.00	14108.00	14136.00	14936.00	13198.00	14273.00
C42 H69 Cl3 N7	11218.00	9204.00	9827.00	9761.00	10829.00	13163.00	9744.00	8584.00	10110.00	8508.00	10540.00	12169.00	10059.00	9556.00	10217.00	1.00	11591.00	9439.00	9650.00	10238.00	10791.00	10799.00	14933.00	7720.00	11018.00	10886.00	9006.00	10509.00	12130.00	8393.00
Anisomycin	4515.00	1.00	1.00	3225.00	15029.00	4074.00	1.00	1.00	3142.00	8912.00	11602.00	6477.00	5865.00	3987.00	4365.00	1.00	4464.00	5259.00	4852.00	1.00	5611.00	3556.00	1.00	12839.00	3425.00	8445.00	4261.00	1.00	1.00	15263.00
Camptothecin Esi+11.906003	11997.00	12237.00	10158.00	11087.00	11360.00	9838.00	8178.00	8714.00	9487.00	7672.00	11740.00	13078.00	11069.00	11612.00	10220.00	8597.00	8976.00	9880.00	9876.00	8525.00	11453.00	12236.00	10608.00	12233.00	9961.00	8694.00	9397.00	9952.00	7888.00	9374.00
2-oxo-heneicosanoic acid Esi+13.614006	5010.00	6228.00	8077.00	7412.00	3575.00	3722.00	5584.00	8975.00	5952.00	12117.00	3430.00	3226.00	5287.00	5151.00	1.00	1.00	35000.00	4299.00	7122.00	8836.00	4159.00	4634.00	5016.00	6347.00	4759.00	6121.00	8244.00	12470.00	4753.00	14352.00
Ampalex	7193.00	1.00	1.00	6221.00	5795.00	5885.00	5508.00	5937.00	6304.00	5150.00	6327.00	6112.00	5903.00	6369.00	6437.00	6801.00	5244.00	6312.00	5918.00	6624.00	14879.00	6428.00	6065.00	6032.00	5007.00	5380.00	5736.00	6011.00	6079.00	4883.00
7(Z)-Pentacosene Esi+14.148004	70995.00	83873.00	76311.00	69836.00	68394.00	65608.00	66468.00	73718.00	68295.00	66235.00	71840.00	311676.00	72805.00	63472.00	67763.00	61048.00	64264.00	66163.00	61365.00	63423.00	86548.00	66195.00	66828.00	120793.00	80435.00	85859.00	189453.00	72453.00	65598.00	85223.00
Bromopride	11510.00	11993.00	10237.00	11163.00	9829.00	10906.00	6721.00	7722.00	7522.00	6869.00	12924.00	12920.00	8939.00	9390.00	8044.00	7517.00	7468.00	6865.00	6276.00	6303.00	12884.00	10705.00	11016.00	12513.00	8990.00	7903.00	7251.00	6988.00	7157.00	4711.00
C21 H O19	12383.00	14629.00	12620.00	13128.00	10912.00	11040.00	14078.00	16817.00	10650.00	9157.00	13234.00	15518.00	14094.00	10469.00	9639.00	14739.00	11931.00	10247.00	11662.00	11102.00	12278.00	11303.00	13060.00	14491.00	14449.00	12800.00	14579.00	10283.00	11245.00	13253.00
(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid	46775.00	46668.00	39023.00	49910.00	14096.00	45022.00	56279.00	48602.00	39246.00	37659.00	40046.00	68927.00	50552.00	46423.00	40874.00	54538.00	62400.00	47923.00	48793.00	52416.00	59333.00	46512.00	62127.00	55958.00	42868.00	67217.00	37099.00	43195.00	39690.00	60818.00
C9 H2 O4 Esi+1.2649997	16561.00	14046.00	11429.00	18072.00	5826.00	16037.00	7799.00	19457.00	22014.00	10048.00	6014.00	11716.00	7140.00	13418.00	11697.00	12251.00	1.00	4679.00	8333.00	10521.00	12713.00	15611.00	15203.00	11426.00	13119.00	19011.00	10841.00	5296.00	18893.00	10143.00
2,5-Xylidine Esi+4.4689994	65088.00	56608.00	79526.00	69240.00	77818.00	68089.00	72716.00	69152.00	72276.00	67699.00	62084.00	68481.00	62584.00	63274.00	59047.00	66954.00	66930.00	64700.00	80858.00	68181.00	74524.00	62296.00	64182.00	56139.00	59460.00	63073.00	66531.00	60108.00	62552.00	64106.00
12,13-dihydroxy-11-methoxy-9-octadecenoic acid	13347.00	16415.00	13702.00	14798.00	12999.00	13913.00	12769.00	16205.00	11071.00	11111.00	16716.00	17649.00	16504.00	11419.00	12287.00	15302.00	11916.00	11868.00	8708.00	12381.00	15176.00	13526.00	13696.00	13035.00	13755.00	13751.00	15514.00	11524.00	12857.00	14581.00
6-Hydroxyluteolin 6-glucoside-3'-rhamnoside Esi+10.4140005	12087.00	10978.00	13544.00	9216.00	8505.00	7340.00	11376.00	9743.00	7648.00	11200.00	8708.00	6649.00	9492.00	9158.00	9425.00	10714.00	10831.00	5325.00	8379.00	7224.00	9192.00	8346.00	9976.00	7605.00	5802.00	6841.00	9535.00	7667.00	8047.00	11237.00
Chlorethoxyfos	14297.00	15445.00	13708.00	13331.00	13784.00	15663.00	12418.00	15553.00	14477.00	13537.00	19119.00	14674.00	16765.00	14042.00	15422.00	1.00	15468.00	16288.00	16244.00	16536.00	15739.00	14604.00	14332.00	13518.00	16669.00	17552.00	16799.00	14760.00	14455.00	16743.00
C20 H44 N3 O4	7993.00	9674.00	8806.00	9011.00	7675.00	8695.00	8199.00	13045.00	7611.00	7948.00	6331.00	10000.00	9734.00	8328.00	9359.00	8132.00	8989.00	8419.00	5273.00	5478.00	8254.00	6944.00	10008.00	8692.00	8147.00	15016.00	8165.00	6840.00	6753.00	9725.00
10-hydroxy-2E-decenoic acid	7068.00	7089.00	7854.00	9249.00	8610.00	11006.00	13605.00	7383.00	6010.00	16816.00	4663.00	11224.00	7754.00	11758.00	7762.00	9661.00	10804.00	16758.00	11296.00	12551.00	11393.00	14070.00	13359.00	9189.00	8542.00	14372.00	10548.00	11178.00	12234.00	13877.00
l-2-hydroxy-decanoic acid Esi+5.0720015	127297.00	53450.00	93363.00	76977.00	85761.00	126256.00	66864.00	62129.00	74712.00	94604.00	120756.00	51157.00	82983.00	134523.00	76027.00	52233.00	39765.00	45595.00	76407.00	61316.00	53105.00	128782.00	83376.00	35715.00	146385.00	62341.00	110479.00	106090.00	95197.00	65144.00
C20 H34 N7 Esi+11.839997	90162.00	4016.00	112966.00	105228.00	4964.00	4241.00	4365.00	5130.00	78969.00	118023.00	3010.00	1.00	84299.00	94861.00	1.00	3929.00	1.00	3000.00	100870.00	4642.00	3337.00	93881.00	90338.00	4118.00	81880.00	1.00	97539.00	113822.00	85152.00	135106.00
2-oxo-docosanoic acid Esi+12.799004	13209.00	13342.00	13382.00	15278.00	13192.00	11958.00	16251.00	15898.00	11063.00	17104.00	14002.00	13423.00	12085.00	13483.00	10689.00	10771.00	10596.00	13453.00	12268.00	12382.00	12809.00	14801.00	12256.00	12943.00	12017.00	12476.00	13975.00	13262.00	12846.00	13370.00
(S)-Lisofylline	14774.00	10462.00	10875.00	12418.00	6934.00	3588.00	7082.00	9458.00	8433.00	10903.00	8322.00	13401.00	5343.00	8581.00	3744.00	7793.00	6321.00	5576.00	8303.00	6513.00	14357.00	6847.00	1.00	9732.00	11004.00	5506.00	8019.00	5404.00	4735.00	10625.00
C20 H9 N7 O18 S	10218.00	12020.00	10962.00	12487.00	10326.00	10803.00	11649.00	15322.00	9730.00	8420.00	13721.00	13938.00	12283.00	9032.00	9594.00	12784.00	9769.00	8860.00	8996.00	10493.00	12417.00	10264.00	9715.00	12068.00	12560.00	10824.00	13146.00	9768.00	11288.00	13105.00
S-(N-Hydroxy-N-methylcarbamoyl)glutathione Esi+15.209999	11816.00	12317.00	10517.00	8282.00	10550.00	9592.00	6667.00	5738.00	6216.00	6808.00	12140.00	13650.00	7718.00	6754.00	7466.00	5898.00	6913.00	6836.00	3871.00	4960.00	11412.00	10606.00	10139.00	10060.00	8795.00	4969.00	5090.00	5191.00	3990.00	5314.00
Trichothecin	8846.00	10603.00	12225.00	12574.00	6870.00	5213.00	11710.00	13329.00	6572.00	16671.00	6525.00	4502.00	4031.00	8191.00	4410.00	3704.00	1.00	5300.00	7148.00	12135.00	5637.00	12764.00	4073.00	13032.00	7020.00	7870.00	12861.00	11261.00	6073.00	10070.00
d-Dethiobiotin	13396.00	9095.00	25069.00	23393.00	14681.00	9044.00	8829.00	8553.00	21704.00	25795.00	6876.00	10034.00	7470.00	4339.00	6352.00	6516.00	1.00	5673.00	6051.00	5648.00	6794.00	4793.00	1.00	12824.00	6509.00	13844.00	5945.00	5793.00	1.00	10726.00
C17 H29 N8 O4	12751.00	11100.00	11924.00	11137.00	10534.00	12230.00	11714.00	10970.00	11917.00	12628.00	12839.00	11928.00	11862.00	10479.00	12071.00	11580.00	11616.00	10734.00	12090.00	11557.00	12078.00	10907.00	10660.00	8590.00	13207.00	13057.00	10409.00	11584.00	10899.00	10858.00
PE(P-20:0/19:1(9Z))	10920.00	13509.00	9310.00	11124.00	11594.00	10796.00	11772.00	13469.00	9461.00	10150.00	12309.00	11695.00	14715.00	9362.00	9347.00	8551.00	9649.00	8311.00	8601.00	7028.00	13347.00	16910.00	14998.00	11480.00	10091.00	10671.00	15400.00	9140.00	8555.00	13218.00
7-Methylxanthine	11481.00	13226.00	9701.00	10808.00	10692.00	11237.00	7621.00	8482.00	8495.00	7711.00	11690.00	13827.00	9804.00	10104.00	9948.00	6828.00	7583.00	8468.00	8888.00	9202.00	11519.00	11222.00	10502.00	12393.00	10114.00	7584.00	8004.00	9438.00	7430.00	7618.00
5-Fluorouridine monophosphate	14337.00	14314.00	14715.00	7217.00	9061.00	9131.00	10733.00	10398.00	9163.00	13835.00	7604.00	7093.00	14247.00	10551.00	12375.00	11649.00	12034.00	4869.00	10177.00	8967.00	9982.00	7540.00	11413.00	8224.00	6026.00	8700.00	15281.00	10749.00	10757.00	9932.00
Magnoshinin	75330.00	110256.00	83183.00	73635.00	139316.00	92673.00	96537.00	79189.00	51383.00	77340.00	124447.00	88878.00	58287.00	68083.00	59377.00	61072.00	53239.00	56725.00	41700.00	59647.00	64734.00	107680.00	55010.00	104335.00	69923.00	46672.00	65144.00	43248.00	55274.00	32327.00
C17 H38 N3 O4	7560.00	5819.00	14511.00	4445.00	4365.00	14432.00	5179.00	8909.00	3274.00	4370.00	4852.00	4484.00	7581.00	5188.00	4618.00	8269.00	4643.00	4684.00	5958.00	5172.00	3230.00	16467.00	4950.00	4464.00	5942.00	10614.00	5365.00	4292.00	7020.00	8100.00
Caffeic aldehyde	13705.00	13248.00	13329.00	13307.00	12977.00	13580.00	15819.00	13082.00	15856.00	13790.00	13107.00	17167.00	14239.00	13397.00	13525.00	13010.00	13712.00	16148.00	12451.00	13386.00	15248.00	13781.00	14070.00	13425.00	14314.00	13595.00	10719.00	13024.00	13732.00	13942.00
C30 H57 N15	5919.00	7637.00	9006.00	9261.00	6260.00	5679.00	6215.00	14265.00	4984.00	6132.00	5998.00	6772.00	6662.00	5628.00	7428.00	6297.00	6092.00	5945.00	4809.00	5091.00	5155.00	6494.00	6716.00	6541.00	6606.00	15757.00	6272.00	4240.00	5395.00	7082.00
Isoeugenol	10415.00	5816.00	14159.00	5324.00	6201.00	6630.00	5109.00	6212.00	6650.00	6486.00	6377.00	5724.00	8902.00	5683.00	6312.00	7706.00	4728.00	5997.00	5125.00	6181.00	6024.00	7002.00	8136.00	6563.00	6547.00	6633.00	8392.00	6425.00	5865.00	4606.00
D-Ribonolactone	10184.00	10035.00	9845.00	9528.00	9632.00	9601.00	8327.00	7900.00	9336.00	7255.00	10096.00	10346.00	9047.00	8007.00	9448.00	6718.00	8137.00	7583.00	8430.00	7225.00	10253.00	10518.00	9091.00	10768.00	8825.00	8471.00	6548.00	8549.00	7034.00	7401.00
C16 H7 Cl3 N S5	13243.00	13080.00	15210.00	13376.00	13206.00	15186.00	13642.00	13922.00	13115.00	12807.00	13722.00	14639.00	12262.00	12042.00	12408.00	1.00	13850.00	13095.00	13678.00	13133.00	13544.00	12342.00	14605.00	11535.00	15536.00	13928.00	12207.00	12740.00	13594.00	11943.00
8,9,10,11-Tetrafluoro-8E,10E-dodecadien-1-ol	7100.00	1.00	6999.00	3695.00	1.00	1.00	1.00	4104.00	3176.00	11581.00	3057.00	1.00	6172.00	3730.00	1.00	1.00	1.00	3283.00	6871.00	4228.00	1.00	1.00	1.00	6528.00	3705.00	6451.00	7949.00	5521.00	1.00	12164.00
(R*,S*)-4-[1-Ethyl-2-(4-fluorophenyl)butyl]phenol	36837.00	27050.00	33734.00	52744.00	29995.00	60776.00	46053.00	41138.00	23026.00	41557.00	41039.00	46338.00	59301.00	56750.00	46145.00	53784.00	49809.00	88526.00	42044.00	75691.00	56789.00	84929.00	48355.00	34551.00	58930.00	73866.00	32058.00	42047.00	52966.00	47761.00
D-NMAPPD	13858.00	12019.00	13578.00	15309.00	13885.00	13419.00	13597.00	14671.00	14729.00	13552.00	11561.00	14052.00	14073.00	13176.00	13422.00	13638.00	12905.00	12892.00	14423.00	15042.00	14601.00	13336.00	13520.00	12267.00	14251.00	12903.00	12296.00	13661.00	13954.00	13316.00
Hexadecanoic acid, 2-amino-, (R)-; (R)-2-Aminohexadecanoic acid	9434.00	11862.00	10415.00	11068.00	9983.00	10513.00	10805.00	8814.00	9652.00	9475.00	10529.00	11340.00	10149.00	10184.00	10190.00	11300.00	10454.00	8452.00	8989.00	9659.00	10733.00	9007.00	10844.00	9830.00	9392.00	10172.00	8915.00	10430.00	10129.00	10916.00
C19 H36 N4 O7	10866.00	11223.00	11752.00	11423.00	11128.00	9693.00	11742.00	12595.00	10903.00	10964.00	10006.00	11613.00	10500.00	10457.00	11319.00	11446.00	13008.00	10488.00	11125.00	12304.00	12109.00	10610.00	11120.00	11124.00	12563.00	13720.00	10133.00	12012.00	10632.00	11395.00
C17 H34 N2 O3	9261.00	6065.00	11126.00	5980.00	5168.00	14003.00	7492.00	7381.00	6000.00	6154.00	4476.00	7511.00	4599.00	7034.00	7092.00	6687.00	7913.00	5172.00	7054.00	8342.00	6492.00	6976.00	6480.00	6015.00	7737.00	7619.00	5692.00	6564.00	6725.00	5633.00
Xeniasterol-b	12173.00	14739.00	11618.00	11707.00	10049.00	10193.00	11536.00	12424.00	9280.00	8097.00	12032.00	14290.00	14266.00	8922.00	8225.00	11806.00	11167.00	9926.00	7349.00	9447.00	11961.00	10752.00	10989.00	10898.00	13360.00	11120.00	11550.00	8826.00	9268.00	10382.00
C16 H46 N14 O S	27236.00	26578.00	27678.00	28010.00	24063.00	28346.00	26449.00	30240.00	26889.00	23625.00	26669.00	28574.00	29053.00	24463.00	24223.00	28050.00	25639.00	24040.00	21754.00	19694.00	25897.00	22354.00	25100.00	25569.00	28469.00	24565.00	26666.00	25730.00	26830.00	29046.00
Ursodeoxycholic acid 3-sulfate	9204.00	7185.00	9525.00	9515.00	10206.00	9240.00	9281.00	12792.00	8945.00	8658.00	9000.00	9467.00	8966.00	8845.00	8690.00	9607.00	8105.00	8385.00	9245.00	8299.00	13133.00	8262.00	8670.00	8250.00	9306.00	9190.00	9107.00	8504.00	7974.00	8180.00
Luffariellolide	9793.00	10848.00	7830.00	10221.00	11385.00	11434.00	10853.00	11056.00	10485.00	9315.00	11492.00	12208.00	10053.00	10251.00	12076.00	10016.00	12645.00	9543.00	9549.00	9176.00	12006.00	10954.00	11153.00	10278.00	10179.00	10922.00	8536.00	8756.00	10429.00	11140.00
Sulfadoxine glucuronide	3832.00	3050.00	10303.00	1.00	1.00	1.00	1.00	12266.00	1.00	10058.00	1.00	1.00	1.00	4271.00	1.00	1.00	1.00	1.00	13413.00	4967.00	1.00	1.00	1.00	3890.00	1.00	1.00	3221.00	1.00	1.00	11900.00
Hypusine	12142.00	5941.00	13042.00	5089.00	5020.00	10985.00	5252.00	6414.00	3889.00	7600.00	4996.00	4914.00	6324.00	8856.00	7332.00	5878.00	3568.00	4935.00	3543.00	4914.00	3738.00	8486.00	5291.00	3792.00	8990.00	8087.00	4372.00	4296.00	5685.00	13921.00
LysoPC(22:5(7Z,10Z,13Z,16Z,19Z)) Esi+6.625	11587.00	7663.00	13423.00	10092.00	8980.00	8891.00	10004.00	10584.00	9497.00	10663.00	9778.00	11394.00	11774.00	8778.00	11325.00	12364.00	9752.00	8996.00	8842.00	9192.00	10914.00	9860.00	10669.00	9145.00	10254.00	9400.00	8361.00	9231.00	9823.00	8731.00
5-Hydroxydantrolene	10233.00	12534.00	9697.00	11761.00	11494.00	7301.00	8002.00	9814.00	8929.00	8983.00	11319.00	11306.00	8364.00	8298.00	10921.00	8640.00	9733.00	8317.00	8008.00	8485.00	11610.00	10676.00	11775.00	10907.00	10734.00	7968.00	7219.00	9834.00	8083.00	9585.00
Undec-2-ene-8,10-diynoic acid isobutylamide	8009.00	3479.00	7121.00	1.00	6284.00	1.00	3218.00	12652.00	1.00	6787.00	4465.00	9889.00	7130.00	5465.00	1.00	1.00	1.00	10162.00	3159.00	3428.00	4111.00	4877.00	1.00	1.00	1.00	1.00	7105.00	1.00	3280.00	12480.00
Dihydroconiferyl alcohol	16386.00	11342.00	13171.00	12506.00	5923.00	17724.00	14147.00	13778.00	12146.00	13281.00	21596.00	13884.00	13363.00	15025.00	10950.00	12029.00	13853.00	15183.00	14985.00	9929.00	13431.00	14926.00	15284.00	13668.00	15052.00	12981.00	13977.00	14764.00	13967.00	14393.00
C9 H14	9070.00	7012.00	5550.00	9062.00	6746.00	12946.00	13350.00	9039.00	6713.00	15773.00	4720.00	10227.00	7078.00	12615.00	7781.00	8807.00	9208.00	16239.00	10845.00	10803.00	11610.00	12929.00	11338.00	8444.00	9391.00	15352.00	9620.00	12368.00	13088.00	14001.00
C23 H41 N Esi+11.886996	10759.00	11714.00	10008.00	9497.00	7994.00	9524.00	7362.00	10760.00	10336.00	10788.00	10240.00	10286.00	11307.00	9780.00	12787.00	9487.00	7322.00	9502.00	11818.00	10321.00	10605.00	9125.00	9843.00	10435.00	10199.00	12140.00	9436.00	12347.00	10200.00	11664.00
C10 H16 N4 Esi+4.931	111663.00	89184.00	93254.00	95429.00	103351.00	138029.00	7303.00	8356.00	99891.00	6967.00	101290.00	111787.00	131948.00	135158.00	109633.00	112514.00	108767.00	19571.00	120299.00	8986.00	7521.00	10249.00	103751.00	91936.00	124780.00	8737.00	102945.00	8278.00	7861.00	8806.00
9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid	12439.00	5585.00	7674.00	7126.00	7735.00	3536.00	5486.00	8007.00	9010.00	6723.00	4649.00	7610.00	5475.00	8714.00	6511.00	7424.00	3027.00	5688.00	9339.00	5045.00	1.00	1.00	1.00	9226.00	3791.00	5585.00	9113.00	4105.00	1.00	6571.00
C31 H61 N18 O	28859.00	28441.00	22604.00	25175.00	28727.00	28533.00	26599.00	25314.00	22659.00	30465.00	19621.00	28161.00	19324.00	26726.00	20305.00	25798.00	20439.00	24375.00	20251.00	22512.00	22957.00	27049.00	20819.00	26843.00	20632.00	20811.00	15448.00	19557.00	22062.00	18315.00
4-Hydroxycinnamic acid	9639.00	9429.00	12482.00	13107.00	9624.00	13240.00	5540.00	14819.00	10930.00	11261.00	6423.00	7539.00	9106.00	8292.00	9713.00	5196.00	3580.00	13400.00	8680.00	5463.00	8919.00	8037.00	5239.00	11487.00	9485.00	10977.00	12701.00	3991.00	6573.00	9606.00
MID42306:1?,25-dihydroxy-26,27-dimethyl-22-thia-20-epivitamin D3 / 1?,25-dihydroxy-26,27-dimethyl-22	3659.00	4877.00	5313.00	12139.00	3510.00	1.00	6938.00	5328.00	3519.00	5518.00	1.00	1.00	3029.00	1.00	1.00	1.00	1.00	1.00	6265.00	1.00	1.00	8819.00	1.00	1.00	3582.00	7661.00	3589.00	3827.00	5783.00	5475.00
Dipyrone	5523.00	14386.00	8453.00	6180.00	10481.00	5848.00	7335.00	8452.00	5087.00	5536.00	12054.00	9653.00	6876.00	10066.00	5325.00	1.00	1.00	10558.00	4512.00	3145.00	8438.00	7139.00	1.00	8277.00	5304.00	9616.00	8642.00	1.00	1.00	5756.00
Lacidipine Esi+10.537997	6230.00	9706.00	6933.00	6353.00	14713.00	8584.00	10915.00	6867.00	4931.00	9675.00	10556.00	7636.00	4914.00	5860.00	6556.00	6454.00	4671.00	5355.00	5827.00	8663.00	5463.00	11428.00	4220.00	11079.00	6410.00	4333.00	6710.00	4171.00	6382.00	1.00
C25 H10 N8 O5	8932.00	9872.00	9322.00	10333.00	8921.00	7651.00	7001.00	7038.00	8143.00	6802.00	8721.00	10420.00	8143.00	7468.00	7574.00	7551.00	7058.00	6360.00	6419.00	7124.00	9540.00	8367.00	8452.00	9569.00	8479.00	7134.00	6302.00	6502.00	6320.00	6687.00
Amabiline	11128.00	11841.00	9125.00	11912.00	9961.00	10052.00	9752.00	12964.00	10909.00	10346.00	9574.00	10351.00	8513.00	11392.00	9010.00	8213.00	9247.00	9418.00	9413.00	9492.00	11073.00	10372.00	10527.00	12202.00	11851.00	10534.00	8927.00	10753.00	10431.00	9879.00
p-Hydroxytriamterene	12750.00	12489.00	12516.00	12231.00	12982.00	12318.00	12617.00	12590.00	11389.00	12818.00	12541.00	12750.00	12422.00	12027.00	12956.00	12725.00	12381.00	11098.00	11747.00	12228.00	12261.00	12401.00	12828.00	10112.00	12829.00	9486.00	10545.00	11899.00	12309.00	11952.00
2-hydroxy-heptadecanoic acid	5642.00	7133.00	8183.00	6030.00	8207.00	6539.00	9523.00	12794.00	4257.00	12567.00	11632.00	4471.00	5657.00	4989.00	5005.00	7113.00	5472.00	4948.00	5209.00	8779.00	4316.00	9801.00	5999.00	8338.00	4527.00	5094.00	8629.00	7233.00	6762.00	7664.00
3beta-Hydroxy-5alpha-pregnan-20-one acetate	5176.00	6917.00	5601.00	7414.00	4497.00	4661.00	6493.00	7720.00	6873.00	11535.00	3178.00	4926.00	5307.00	6741.00	4474.00	1.00	1.00	5203.00	8666.00	8972.00	4919.00	6753.00	4821.00	7412.00	5783.00	7144.00	6558.00	10632.00	6213.00	11322.00
C39 H18 O2	11794.00	11551.00	11081.00	11048.00	10519.00	10145.00	7622.00	8171.00	7964.00	7634.00	10386.00	11953.00	9145.00	9396.00	8006.00	8307.00	6763.00	7890.00	6565.00	7893.00	10397.00	11821.00	10339.00	11597.00	8971.00	7309.00	7155.00	7864.00	6394.00	7816.00
Tussilagine Esi+1.5769998	6730.00	4171.00	15441.00	5307.00	25626.00	1.00	3907.00	3158.00	5055.00	9694.00	9543.00	18615.00	5154.00	5030.00	6461.00	4867.00	6750.00	4612.00	8154.00	4048.00	1.00	1.00	1.00	8608.00	1.00	11853.00	5477.00	3207.00	1.00	12232.00
17,20-dimethyl Prostaglandin F1? Esi+12.888	13752.00	12959.00	19026.00	12944.00	11958.00	12900.00	13625.00	12647.00	13227.00	11617.00	12633.00	13744.00	13165.00	12526.00	12345.00	12692.00	12133.00	13118.00	11185.00	12199.00	14525.00	13912.00	12561.00	13382.00	13012.00	12395.00	16618.00	11944.00	11717.00	12580.00
Loroxanthin ester/ Loroxanthin dodecenoate	11170.00	9353.00	9645.00	10397.00	11403.00	12060.00	11164.00	10782.00	11504.00	10023.00	10731.00	12528.00	11538.00	9506.00	12164.00	1.00	10810.00	9872.00	10819.00	10261.00	12534.00	9680.00	14216.00	10780.00	11909.00	11823.00	9934.00	11202.00	12547.00	10354.00
7Z,9-Decadienyl acetate	11487.00	14810.00	13111.00	11616.00	11858.00	12632.00	9082.00	12151.00	12635.00	10548.00	11423.00	11349.00	10847.00	11073.00	10868.00	11183.00	12226.00	7971.00	12091.00	10668.00	11389.00	10702.00	10362.00	9760.00	11552.00	10985.00	10182.00	11923.00	10125.00	11945.00
C15 H3 O20 S	10494.00	11165.00	10659.00	9985.00	7891.00	8808.00	10666.00	13132.00	7565.00	8872.00	10409.00	11847.00	13102.00	8911.00	9733.00	11308.00	9138.00	9510.00	8604.00	8755.00	10406.00	8493.00	9051.00	10905.00	11697.00	10507.00	11305.00	7312.00	10742.00	10911.00
C12 H6 N2 O13	6688.00	1.00	8577.00	7462.00	9039.00	4713.00	7202.00	7124.00	4726.00	8854.00	7830.00	1.00	6197.00	3263.00	9187.00	1.00	3250.00	9008.00	12843.00	4823.00	1.00	3331.00	1.00	9647.00	3327.00	3788.00	12680.00	3443.00	1.00	7164.00
Di-n-propylphthalate Esi+8.937999	18561.00	17442.00	16974.00	16361.00	22341.00	12230.00	12492.00	13067.00	11566.00	10484.00	20304.00	18506.00	14199.00	13806.00	10740.00	10679.00	10619.00	10891.00	11853.00	11090.00	16551.00	19175.00	15270.00	12365.00	18091.00	10143.00	10332.00	11770.00	9669.00	11496.00
C12 H10 N O14	4961.00	8758.00	10684.00	10407.00	9619.00	1.00	10242.00	10055.00	4527.00	12056.00	6690.00	5366.00	9182.00	6126.00	6572.00	4112.00	4956.00	7660.00	12977.00	6149.00	6196.00	1.00	1.00	10493.00	5849.00	4594.00	9471.00	4280.00	1.00	10943.00
trans-2-Phenylcyclopropanecarboxylic acid Esi+8.233001 :1	27540.00	25457.00	33793.00	30482.00	26137.00	31253.00	34782.00	34111.00	25097.00	28476.00	22464.00	37680.00	34265.00	36899.00	26240.00	29623.00	33803.00	34033.00	28960.00	32746.00	34820.00	35992.00	32954.00	30659.00	32291.00	36944.00	25368.00	28330.00	26270.00	33205.00
PA(8:0/8:0)	30845.00	28964.00	29975.00	30869.00	30782.00	30371.00	27793.00	30518.00	29549.00	27529.00	30180.00	32832.00	30178.00	30921.00	32296.00	28591.00	29147.00	31390.00	28518.00	27484.00	32334.00	29816.00	31647.00	29246.00	30180.00	30146.00	25183.00	28914.00	30924.00	31597.00
C7 H4 N2 O3 S	1.00	7128.00	4031.00	6729.00	9882.00	3211.00	8353.00	5481.00	6564.00	4946.00	3771.00	5882.00	7762.00	3639.00	5738.00	4033.00	5176.00	5352.00	4824.00	7547.00	5873.00	4559.00	5007.00	5954.00	4835.00	6582.00	5884.00	6849.00	5070.00	5243.00
D-Glucosyldihydrosphingosine	9114.00	10989.00	9811.00	8164.00	6998.00	8342.00	6499.00	8142.00	7824.00	4110.00	6300.00	7741.00	8730.00	9602.00	7594.00	9475.00	7571.00	8791.00	5073.00	3653.00	7905.00	9555.00	9393.00	7692.00	9873.00	7005.00	9664.00	4527.00	4798.00	5258.00
5Z,9Z-hexacosadienoic acid	11108.00	10537.00	9004.00	9847.00	9386.00	9248.00	9173.00	9419.00	9692.00	9591.00	9968.00	9981.00	8882.00	8863.00	10160.00	9358.00	8717.00	10568.00	9182.00	9239.00	9561.00	10526.00	9294.00	9379.00	10427.00	9315.00	8525.00	9267.00	9147.00	8516.00
8Z-heptadecenoic acid	11523.00	12355.00	6472.00	6543.00	12252.00	10979.00	7487.00	8190.00	9316.00	8317.00	7701.00	6786.00	4508.00	10516.00	4865.00	5619.00	6778.00	6944.00	12060.00	4205.00	5886.00	8723.00	9119.00	4879.00	8219.00	6830.00	9992.00	11538.00	7758.00	11515.00
C33 H65 N18 O2	16991.00	20753.00	17170.00	19768.00	19931.00	15508.00	16972.00	16174.00	12097.00	17054.00	17280.00	21264.00	13002.00	15567.00	14885.00	14961.00	17110.00	13109.00	9975.00	13475.00	18019.00	15056.00	13495.00	16920.00	17474.00	15030.00	17794.00	13976.00	11248.00	13297.00
Dichamanetin Esi+9.875	50466.00	27585.00	48894.00	12881.00	68823.00	35368.00	41214.00	31943.00	27086.00	45070.00	43077.00	14457.00	59013.00	20179.00	28245.00	91426.00	41956.00	9343.00	8215.00	30703.00	24971.00	64296.00	40613.00	51605.00	24515.00	8552.00	71863.00	20127.00	33707.00	3887.00
C24 H17 N8 O22	7920.00	10400.00	7858.00	10569.00	6407.00	6408.00	9399.00	11288.00	6280.00	6082.00	9366.00	11510.00	12196.00	6648.00	6392.00	7951.00	5454.00	6510.00	5283.00	6365.00	8628.00	6906.00	7557.00	10614.00	9213.00	8821.00	9751.00	5864.00	8187.00	10558.00
Pteridine	5921.00	9827.00	6229.00	10714.00	4974.00	4865.00	5984.00	7484.00	11425.00	5818.00	3148.00	11426.00	6159.00	4809.00	1.00	4808.00	1.00	5000.00	5396.00	4932.00	7679.00	6066.00	3271.00	5490.00	5148.00	7178.00	4765.00	6759.00	3545.00	4890.00
CPA(18:1(9Z))	10880.00	9161.00	10379.00	10477.00	10133.00	11148.00	9082.00	9664.00	10737.00	8739.00	9618.00	11395.00	11452.00	10273.00	10876.00	9318.00	10527.00	10242.00	8994.00	11001.00	11865.00	10377.00	11508.00	10042.00	10967.00	10263.00	10161.00	10545.00	10410.00	10069.00
Carboxyspermidine	14238.00	8461.00	17183.00	5896.00	5529.00	14567.00	8216.00	9533.00	5695.00	8036.00	4707.00	6345.00	7449.00	11789.00	6620.00	8726.00	5198.00	5555.00	5165.00	7473.00	4996.00	12458.00	7143.00	5193.00	8178.00	11056.00	8019.00	4796.00	6919.00	15685.00
C39 H69 N18 O4	9952.00	9951.00	10514.00	10629.00	10911.00	11206.00	10102.00	9996.00	9413.00	9647.00	10946.00	12125.00	9382.00	11177.00	9937.00	8601.00	8605.00	8139.00	7719.00	7765.00	11582.00	11759.00	11052.00	10188.00	9959.00	10228.00	8399.00	8928.00	8259.00	10162.00
Octachlorocamphene	11950.00	11952.00	11673.00	11440.00	8094.00	7862.00	9321.00	12664.00	7965.00	8700.00	10258.00	11388.00	12697.00	9608.00	7967.00	9082.00	8043.00	8206.00	7650.00	6463.00	10659.00	10753.00	9855.00	11339.00	12092.00	12463.00	12705.00	7555.00	7627.00	12936.00
Anandamide (20:2, n-6) Esi+12.640998 :1	72088.00	21811.00	139446.00	11065.00	23329.00	6942.00	7021.00	110910.00	5239.00	53938.00	13455.00	68697.00	77339.00	25703.00	3359.00	8908.00	12872.00	112963.00	14015.00	12954.00	20010.00	20918.00	18529.00	4394.00	9205.00	11342.00	58250.00	11045.00	12790.00	156474.00
C28 H59 N11 O4 Esi+12.787997	26402.00	29870.00	38964.00	34736.00	31430.00	26510.00	35245.00	27064.00	32468.00	35394.00	27945.00	25592.00	19019.00	25506.00	28188.00	26440.00	34003.00	24945.00	18700.00	25783.00	25390.00	30266.00	21379.00	29042.00	23452.00	25531.00	38764.00	22291.00	26758.00	20795.00
8-Epiiridotrial glucoside	9662.00	9026.00	10220.00	9569.00	10304.00	9578.00	8718.00	8597.00	10303.00	9953.00	8490.00	9821.00	8780.00	9361.00	8824.00	9840.00	10514.00	9355.00	9089.00	9444.00	9994.00	9082.00	10313.00	9382.00	10361.00	10051.00	7604.00	9540.00	9623.00	9891.00
Obtusilic acid	7914.00	5592.00	5182.00	6450.00	5060.00	9154.00	3277.00	4874.00	4229.00	7915.00	7760.00	3020.00	4941.00	7428.00	4768.00	1.00	1.00	5617.00	5628.00	3891.00	1.00	12728.00	3503.00	1.00	8212.00	4358.00	5255.00	5387.00	5517.00	1.00
C42 H91 N4 O13	9461.00	12130.00	10345.00	11062.00	8365.00	7787.00	9623.00	13391.00	8222.00	7951.00	10220.00	10135.00	11929.00	7945.00	6480.00	8183.00	7378.00	6989.00	5816.00	6974.00	9747.00	9039.00	8634.00	11340.00	10833.00	9393.00	10752.00	6582.00	7795.00	13087.00
Athamantin Esi+9.253002	5323.00	1.00	5330.00	1.00	9002.00	6449.00	8615.00	7413.00	3744.00	9413.00	5460.00	1.00	6768.00	1.00	1.00	11263.00	1.00	1.00	1.00	6605.00	3262.00	8900.00	5946.00	7624.00	1.00	1.00	9418.00	3776.00	6903.00	1.00
l-2-hydroxy-decanoic acid Esi+4.960002	29119.00	22334.00	20586.00	25431.00	21072.00	29049.00	14031.00	16898.00	16920.00	28931.00	29620.00	12276.00	19704.00	30894.00	17045.00	11796.00	8384.00	18154.00	17186.00	12906.00	10755.00	45019.00	18208.00	7829.00	37479.00	13783.00	25060.00	24626.00	23485.00	13328.00
Dihydroconiferyl alcohol Esi+4.666	16392.00	13799.00	13171.00	12506.00	6210.00	17724.00	13574.00	13778.00	12146.00	13281.00	21596.00	13884.00	13363.00	15025.00	10947.00	11987.00	13853.00	15183.00	12294.00	9929.00	13431.00	13383.00	15252.00	13668.00	14950.00	12385.00	13468.00	14607.00	13867.00	14393.00
9-hydroxy-16-oxo-hexadecanoic acid	8774.00	7772.00	7305.00	7293.00	10406.00	8459.00	8274.00	7111.00	8146.00	9815.00	12848.00	9899.00	8251.00	7612.00	8845.00	8148.00	7439.00	6666.00	8795.00	8882.00	9553.00	9213.00	10336.00	8178.00	8065.00	7708.00	8034.00	8812.00	9968.00	6837.00
desethyletomidate Esi+10.523996	39823.00	54233.00	37486.00	33009.00	66273.00	47699.00	46922.00	37527.00	23017.00	34919.00	68046.00	50286.00	24767.00	29258.00	26080.00	27420.00	24187.00	25500.00	17556.00	27949.00	32159.00	51514.00	26822.00	50513.00	31475.00	19045.00	35639.00	16958.00	22241.00	12679.00
MG(16:0/0:0/0:0)	490411.00	630442.00	567053.00	624319.00	362882.00	330686.00	564477.00	672298.00	586661.00	802654.00	300103.00	383989.00	457273.00	548390.00	332271.00	214217.00	122758.00	513977.00	658517.00	675117.00	411909.00	535198.00	454751.00	568724.00	533662.00	593963.00	576298.00	758351.00	504069.00	840517.00
pentanamide	11148.00	10024.00	11227.00	10931.00	11524.00	9344.00	10462.00	8952.00	12197.00	10142.00	11354.00	12008.00	10207.00	10439.00	11276.00	9878.00	8320.00	9121.00	8854.00	11518.00	8580.00	10323.00	9970.00	8430.00	9179.00	9913.00	9216.00	9262.00	10451.00	11178.00
pentadecan-9-en-1-ol	6523.00	7487.00	8118.00	8455.00	6894.00	6455.00	9205.00	10834.00	5210.00	11938.00	9543.00	5498.00	5151.00	5724.00	5249.00	7680.00	4092.00	4946.00	6669.00	9032.00	5286.00	8459.00	5348.00	9463.00	5115.00	7676.00	7022.00	7192.00	5903.00	6045.00
3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-methylcyclo-hexanecarboxylate	9143.00	8460.00	7920.00	8320.00	8072.00	9348.00	7850.00	7341.00	7121.00	8567.00	9469.00	10923.00	7846.00	7664.00	7162.00	7318.00	6201.00	7012.00	7789.00	8118.00	9306.00	8680.00	8029.00	8648.00	7390.00	8039.00	6570.00	7507.00	7932.00	8114.00
C14 H13 N2	8803.00	8236.00	9507.00	9353.00	8248.00	9729.00	7589.00	9676.00	11162.00	13094.00	5328.00	9018.00	8766.00	7253.00	6729.00	9435.00	6738.00	6351.00	9203.00	8510.00	7161.00	7046.00	7356.00	8310.00	6918.00	8903.00	7643.00	10420.00	6578.00	11342.00
3-methyl-tetradecanedioic acid	12468.00	10763.00	9837.00	11886.00	11832.00	10046.00	12513.00	10987.00	10470.00	10759.00	12208.00	11674.00	10176.00	9836.00	11694.00	10646.00	11782.00	11440.00	11046.00	9613.00	11579.00	13242.00	10710.00	10823.00	12163.00	10693.00	10079.00	10824.00	10423.00	12172.00
PS(22:0/22:0)	8526.00	10939.00	9748.00	9532.00	7930.00	6944.00	8328.00	11667.00	6915.00	6108.00	9748.00	10501.00	12104.00	7979.00	6589.00	7140.00	7279.00	6886.00	6445.00	6862.00	10561.00	9067.00	8293.00	10377.00	11874.00	8814.00	10805.00	6557.00	7524.00	12772.00
PS(22:0/14:1(9Z)) Esi+13.735995	483711.00	109044.00	1023457.00	33207.00	5825.00	3638.00	35858.00	47857.00	92253.00	141787.00	20709.00	3172.00	324249.00	52020.00	37743.00	102129.00	11740.00	11113.00	13102.00	16853.00	76401.00	58030.00	237122.00	10765.00	8223.00	9081.00	298404.00	57252.00	12132.00	54305.00
Kushenol W	5649.00	6584.00	7480.00	8786.00	4298.00	1.00	8629.00	10120.00	3119.00	12874.00	4233.00	1.00	1.00	5420.00	1.00	1.00	1.00	1.00	4247.00	9196.00	1.00	8791.00	1.00	9045.00	4850.00	5248.00	8353.00	6989.00	3001.00	6793.00
PE(22:1(11Z)/0:0)	8809.00	7233.00	7960.00	7751.00	8200.00	8165.00	7495.00	7591.00	6949.00	7539.00	7988.00	8660.00	8925.00	7212.00	7466.00	6779.00	7841.00	7429.00	8093.00	8405.00	7780.00	8647.00	8299.00	8405.00	7952.00	8166.00	7081.00	8159.00	7946.00	7986.00
Uracil 5-carbaldehyde	7633.00	8865.00	7708.00	7702.00	8478.00	6418.00	6162.00	5541.00	6254.00	6012.00	8359.00	9069.00	6601.00	5665.00	5708.00	5738.00	6003.00	5068.00	5944.00	5258.00	8410.00	6865.00	7423.00	7584.00	6871.00	5111.00	5937.00	6246.00	4361.00	5796.00
Elaeokanine C	5715.00	1.00	3925.00	3988.00	3800.00	4212.00	3513.00	6510.00	3519.00	4394.00	3729.00	5045.00	6253.00	3798.00	3589.00	5186.00	6507.00	6469.00	4156.00	9452.00	4643.00	5614.00	3417.00	1.00	4311.00	4648.00	7270.00	3604.00	4715.00	6830.00
6-hydroxy caproic acid	13471.00	8924.00	8459.00	9360.00	8425.00	18106.00	9562.00	9231.00	7130.00	13709.00	12396.00	9417.00	11925.00	15609.00	13226.00	8887.00	6881.00	10520.00	8609.00	7328.00	7422.00	19066.00	9785.00	9502.00	15044.00	9637.00	10141.00	9959.00	12812.00	8346.00
1-(5-Hydroxy-2-pyrimidinyl)piperazine	5889.00	1.00	6104.00	6194.00	8431.00	4389.00	7719.00	7457.00	4579.00	8874.00	7376.00	1.00	7369.00	1.00	9164.00	1.00	1.00	8045.00	11057.00	4091.00	1.00	3333.00	1.00	9596.00	1.00	3746.00	11780.00	3127.00	1.00	6757.00
C19 H42 N8 O	10555.00	9863.00	10852.00	9927.00	8703.00	9367.00	9320.00	9540.00	7795.00	9402.00	10469.00	10543.00	10911.00	9856.00	8022.00	8532.00	8530.00	10122.00	8629.00	11470.00	11014.00	10127.00	9026.00	10045.00	8892.00	12747.00	8884.00	8911.00	8228.00	9833.00
C8 H4 O3 Esi+11.962003	46332.00	48682.00	46686.00	60021.00	54195.00	40554.00	41176.00	44333.00	38361.00	45323.00	65013.00	50954.00	44701.00	45153.00	41570.00	41372.00	40227.00	46326.00	44349.00	49669.00	48624.00	51415.00	66162.00	40396.00	48403.00	44153.00	42753.00	42976.00	46244.00	48035.00
Leupeptin Esi+12.829994	7059.00	7680.00	8265.00	7293.00	4578.00	1.00	4867.00	7703.00	5617.00	9052.00	3870.00	3426.00	4457.00	6227.00	3004.00	1.00	1.00	5175.00	7022.00	6864.00	4978.00	5705.00	4063.00	6575.00	6773.00	6727.00	5963.00	7967.00	5019.00	10255.00
C22 H51 N4 O6	11323.00	12039.00	21437.00	15494.00	23356.00	12247.00	21855.00	6513.00	19364.00	25315.00	13095.00	21373.00	23884.00	11345.00	13077.00	26377.00	16046.00	13332.00	16480.00	11920.00	17230.00	15622.00	17921.00	18564.00	18767.00	18679.00	23889.00	17004.00	15149.00	15459.00
C7 H14 N6 O2	57158.00	46677.00	50338.00	50095.00	52579.00	88510.00	56777.00	73874.00	52915.00	58569.00	50501.00	55428.00	67777.00	70096.00	54183.00	57693.00	54892.00	61436.00	64334.00	68590.00	51504.00	73119.00	51651.00	46321.00	63969.00	72191.00	54444.00	58093.00	55398.00	63814.00
S-(4-Bromophenyl)-mercaptopyruvate	9113.00	14219.00	9497.00	4801.00	9009.00	10883.00	4992.00	19400.00	11209.00	8943.00	26904.00	13139.00	19801.00	10619.00	9867.00	1.00	8867.00	13159.00	17070.00	13114.00	10054.00	13096.00	1.00	14154.00	15884.00	16729.00	15810.00	10561.00	3359.00	14719.00
LPA(0:0/16:0)	13133.00	12600.00	14037.00	13394.00	10942.00	9852.00	10898.00	15126.00	9700.00	16282.00	7748.00	10392.00	9477.00	10939.00	9444.00	10276.00	6641.00	10208.00	13681.00	14192.00	8861.00	12084.00	11263.00	11443.00	10661.00	11017.00	12195.00	14235.00	10972.00	17034.00
Polidocanol Esi+12.545997	10751.00	14398.00	17816.00	12558.00	9919.00	11886.00	10593.00	27447.00	8345.00	9802.00	11756.00	15682.00	13763.00	11971.00	10882.00	11599.00	10114.00	9811.00	9044.00	8061.00	9396.00	8275.00	10327.00	11670.00	15206.00	15353.00	12049.00	8386.00	8568.00	11916.00
Pentanoylcarnitine Esi+4.839998	3700.00	3729.00	6461.00	24257.00	18586.00	3886.00	10547.00	5436.00	9684.00	66424.00	4497.00	4060.00	3737.00	3390.00	33406.00	6055.00	3927.00	43680.00	10916.00	16462.00	6835.00	8487.00	3626.00	9672.00	1.00	3290.00	4435.00	4191.00	3746.00	11752.00
pentadecan-9-en-1-ol Esi+9.880002	9058.00	7583.00	8565.00	8926.00	7771.00	6601.00	9163.00	7542.00	6100.00	11188.00	8929.00	7257.00	6218.00	9202.00	7609.00	7470.00	6620.00	5790.00	8079.00	10278.00	7733.00	9425.00	7462.00	8912.00	7412.00	8842.00	7867.00	8085.00	6845.00	7423.00
Benzyl isothiocyanate	10663.00	13100.00	9750.00	7598.00	14788.00	11461.00	9150.00	14663.00	7576.00	8852.00	29645.00	17810.00	11803.00	8167.00	12108.00	15747.00	13802.00	8964.00	8570.00	6559.00	17122.00	14135.00	6856.00	11096.00	11747.00	13035.00	10821.00	11285.00	10446.00	4616.00
C50 H82 N6 O Esi+13.744997	20301.00	21517.00	18650.00	21664.00	22500.00	23023.00	19351.00	19280.00	20076.00	16602.00	21964.00	24013.00	20308.00	20695.00	21821.00	22174.00	18012.00	20145.00	15945.00	17705.00	22417.00	21285.00	23115.00	22146.00	19779.00	20296.00	18616.00	17475.00	21540.00	17100.00
3?-Hydroxy-7-oxochol-5-en-24-oic Acid	5335.00	8042.00	7229.00	8568.00	5625.00	5340.00	5859.00	8247.00	6416.00	7738.00	4222.00	5618.00	5989.00	6818.00	4832.00	5948.00	4290.00	5305.00	7726.00	7206.00	5587.00	6618.00	6418.00	6416.00	6417.00	7077.00	6898.00	7770.00	5950.00	9708.00
PA(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	7943.00	8235.00	8468.00	9629.00	6332.00	6022.00	7635.00	8738.00	6117.00	5271.00	7756.00	9332.00	9265.00	5246.00	5806.00	8655.00	6902.00	6903.00	5023.00	6723.00	7737.00	7206.00	7365.00	8462.00	8447.00	8433.00	8572.00	5766.00	6551.00	7747.00
Tiamulin	8920.00	8858.00	7913.00	10054.00	7416.00	7340.00	8744.00	8449.00	8568.00	7281.00	7472.00	9069.00	9630.00	9238.00	7525.00	8447.00	8686.00	8676.00	7398.00	8905.00	9156.00	8094.00	8561.00	8741.00	8661.00	8556.00	6825.00	8325.00	8071.00	8308.00
C36 H79 N4 O10	8844.00	12002.00	9765.00	10501.00	8391.00	8654.00	8740.00	11030.00	7730.00	8428.00	9674.00	9565.00	11220.00	7891.00	7002.00	7961.00	8189.00	7628.00	6866.00	6572.00	8823.00	11061.00	9179.00	11104.00	9536.00	9790.00	10433.00	5761.00	7819.00	11782.00
C12 H37 N14 O3 S	11086.00	8704.00	10738.00	8934.00	10275.00	8793.00	9082.00	9029.00	9144.00	9988.00	9706.00	10034.00	9830.00	8604.00	9615.00	9956.00	9928.00	8406.00	9171.00	9792.00	10260.00	10544.00	10762.00	8909.00	9498.00	8992.00	9346.00	8493.00	8298.00	10405.00
Phe Arg Val	4342.00	4897.00	5564.00	5602.00	1.00	1.00	4827.00	6712.00	4855.00	9032.00	1.00	1.00	3800.00	3877.00	1.00	1.00	1.00	1.00	6784.00	6392.00	1.00	3548.00	3232.00	4299.00	3775.00	4434.00	6741.00	8243.00	3051.00	9736.00
Pyracarbolid	4325.00	6331.00	5921.00	3504.00	6704.00	5579.00	5421.00	7039.00	3191.00	5779.00	11807.00	3595.00	6520.00	5791.00	6414.00	1.00	1.00	5222.00	6917.00	1.00	4612.00	6356.00	1.00	5989.00	3475.00	4349.00	3781.00	4040.00	1.00	1.00
C10 H19 N8 O	3990.00	1.00	1.00	4955.00	1.00	8749.00	3048.00	3131.00	1.00	4649.00	4643.00	1.00	3861.00	5940.00	3851.00	1.00	3768.00	3809.00	4735.00	4292.00	1.00	10279.00	3585.00	1.00	7565.00	7227.00	1.00	3226.00	4690.00	3527.00
C29 H59 N21	28859.00	28591.00	22604.00	25175.00	28727.00	26223.00	26599.00	25314.00	22641.00	30465.00	19621.00	28161.00	19324.00	26726.00	20305.00	25798.00	20439.00	24375.00	20251.00	22512.00	22957.00	27049.00	20819.00	26843.00	20632.00	20811.00	15547.00	19638.00	18828.00	18315.00
Methyl acetyl ricinoleate Esi+11.842003	23060.00	27545.00	29687.00	26555.00	21321.00	21481.00	25661.00	32598.00	21828.00	33077.00	17201.00	22212.00	23567.00	23211.00	20473.00	19178.00	16530.00	21562.00	26069.00	29731.00	22763.00	28351.00	22825.00	28732.00	22270.00	25057.00	29427.00	29231.00	22691.00	35721.00
8-tridecynoic acid	4064.00	4203.00	6253.00	6037.00	3740.00	5163.00	8576.00	5836.00	3544.00	3879.00	3884.00	8503.00	5841.00	5386.00	4479.00	7369.00	9811.00	8003.00	3053.00	7056.00	10815.00	5874.00	5670.00	5764.00	4484.00	10160.00	4501.00	4126.00	3467.00	5940.00
Stovaine	9382.00	7651.00	9655.00	9717.00	8781.00	8868.00	8031.00	8910.00	8755.00	8584.00	9647.00	10106.00	8802.00	9118.00	8433.00	7411.00	7330.00	10056.00	8575.00	8587.00	9458.00	11240.00	9204.00	9017.00	8413.00	8669.00	8698.00	7702.00	8124.00	8835.00
C21 H41 N8 O8	6893.00	5538.00	6788.00	6695.00	7943.00	7235.00	7147.00	9721.00	7258.00	6584.00	6904.00	7497.00	6530.00	6660.00	7227.00	6665.00	6404.00	6426.00	6084.00	6172.00	8671.00	6395.00	6471.00	5892.00	8176.00	6923.00	6101.00	6518.00	6069.00	7939.00
3'-Hydroxyminoxidil	7389.00	5811.00	10618.00	6972.00	7316.00	4526.00	5502.00	5446.00	6073.00	11176.00	10440.00	6846.00	5904.00	5025.00	5389.00	4615.00	3587.00	5939.00	7488.00	6167.00	9798.00	1.00	1.00	11412.00	6312.00	3614.00	7255.00	5502.00	1.00	8034.00
Ile Cys Pro Esi+9.320004	4663.00	4813.00	9298.00	5283.00	5221.00	5876.00	7544.00	5848.00	5801.00	5182.00	17195.00	4971.00	6369.00	15323.00	11245.00	5857.00	14914.00	10315.00	18065.00	11041.00	7690.00	15055.00	5363.00	10246.00	7565.00	10002.00	4056.00	12875.00	7712.00	6195.00
C9 H4 N O7 S Esi+1.3860005	92914.00	88242.00	81873.00	172080.00	140516.00	65445.00	127628.00	137654.00	119913.00	98348.00	39563.00	64713.00	104131.00	67801.00	71235.00	54979.00	75284.00	87940.00	150401.00	88932.00	29468.00	56265.00	9560.00	94166.00	81151.00	109580.00	159068.00	23783.00	39912.00	143127.00
C15 H37 N4 O5	8015.00	6996.00	7957.00	7660.00	6109.00	8112.00	8642.00	7284.00	7936.00	6794.00	6911.00	7583.00	7801.00	6991.00	7015.00	7246.00	7704.00	8205.00	6578.00	8222.00	8081.00	8355.00	8116.00	8248.00	8874.00	7868.00	6407.00	6318.00	8288.00	8123.00
Isoorientin 7,3'-dimethyl ether	10348.00	8830.00	10376.00	10202.00	10871.00	8831.00	10871.00	10323.00	8839.00	10188.00	8423.00	9994.00	9413.00	8432.00	9210.00	10729.00	8824.00	10953.00	9634.00	10299.00	11282.00	10497.00	9790.00	6493.00	9547.00	8775.00	9916.00	8906.00	9204.00	9584.00
C12 H35 N11 O3 S	10159.00	9273.00	9314.00	10109.00	9222.00	10557.00	10588.00	11009.00	10403.00	10421.00	10024.00	11364.00	11240.00	9089.00	10010.00	10284.00	9659.00	10097.00	10521.00	10708.00	9670.00	10067.00	10944.00	9980.00	10136.00	8453.00	10438.00	9734.00	11341.00	9836.00
Halaminol A Esi+11.878999	12323.00	10624.00	9831.00	16268.00	10889.00	14671.00	12636.00	12320.00	9879.00	14085.00	13719.00	15040.00	14993.00	13787.00	11765.00	14158.00	11468.00	13236.00	13046.00	9235.00	13305.00	12784.00	13192.00	12557.00	12625.00	12480.00	14267.00	12011.00	11536.00	13234.00
Arg Phe Pro	9252.00	8462.00	7649.00	9001.00	8016.00	9364.00	8131.00	9098.00	7882.00	8528.00	8786.00	8571.00	9354.00	8317.00	7916.00	7389.00	8146.00	8835.00	8138.00	8826.00	9448.00	9819.00	8646.00	8802.00	8465.00	8456.00	6483.00	8935.00	7678.00	8948.00
Anopterine	6397.00	4924.00	7123.00	3310.00	10365.00	5668.00	8257.00	8632.00	4389.00	9159.00	7866.00	3021.00	7935.00	3730.00	3811.00	10869.00	1.00	1.00	1.00	6617.00	3055.00	9036.00	5649.00	8037.00	1.00	1.00	8899.00	3606.00	6272.00	1.00
C23 H43 N11 O4	10186.00	10086.00	10773.00	9768.00	8691.00	10427.00	9372.00	11098.00	9001.00	10640.00	8990.00	11365.00	10995.00	9299.00	10140.00	9494.00	9464.00	10186.00	9284.00	9470.00	9310.00	9437.00	10752.00	10468.00	9945.00	9408.00	9791.00	10373.00	10706.00	9802.00
C21 H45 N Esi+12.240998	8366.00	9358.00	8059.00	8087.00	8319.00	8150.00	8135.00	6565.00	8810.00	8174.00	8401.00	9551.00	7906.00	8697.00	7991.00	8526.00	7657.00	7095.00	7217.00	7564.00	8834.00	8098.00	8136.00	8547.00	8627.00	7272.00	7949.00	10103.00	8409.00	7270.00
Val Arg Ser	7558.00	7277.00	6661.00	7763.00	6791.00	6670.00	7483.00	7957.00	6436.00	6370.00	6646.00	7926.00	7040.00	6730.00	6481.00	9654.00	8944.00	8143.00	6261.00	8977.00	7575.00	6057.00	8838.00	6455.00	6835.00	9476.00	6380.00	8178.00	8615.00	8030.00
DG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	9316.00	10983.00	9895.00	10802.00	7819.00	7737.00	9088.00	10904.00	6981.00	8641.00	9365.00	9401.00	10016.00	8160.00	7482.00	8670.00	7664.00	7818.00	6586.00	6657.00	9144.00	9846.00	8769.00	10454.00	9900.00	8858.00	10064.00	8120.00	8473.00	11242.00
C39 H77 N5 O8	8920.00	10223.00	11474.00	8326.00	8815.00	8771.00	10199.00	11199.00	6222.00	7168.00	9966.00	11213.00	11577.00	7392.00	5800.00	7511.00	8999.00	7341.00	6955.00	7411.00	9051.00	14259.00	9684.00	8989.00	8598.00	7648.00	9099.00	7204.00	7642.00	9929.00
Tintinnadiol	8379.00	7974.00	9478.00	8439.00	8247.00	9199.00	9061.00	7758.00	8797.00	9066.00	8623.00	9076.00	9039.00	9630.00	9035.00	6758.00	7570.00	7703.00	7637.00	6763.00	10064.00	7659.00	8724.00	8078.00	8534.00	9094.00	7332.00	8227.00	8476.00	8680.00
PE(18:1(9Z)/0:0)	3959.00	1.00	11672.00	1.00	1.00	1.00	1.00	8076.00	3165.00	4861.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	5558.00	1.00	1.00	7437.00	1.00	3137.00	3249.00	4760.00	1.00	1.00	11338.00
C29 H61 N11 O3	6296.00	7905.00	7776.00	9093.00	5345.00	5874.00	6711.00	11108.00	5732.00	8138.00	7811.00	8938.00	9372.00	6791.00	6154.00	6464.00	6033.00	5734.00	5034.00	4651.00	6103.00	6145.00	5859.00	6739.00	7226.00	8037.00	7863.00	5656.00	5803.00	8774.00
Neosaxitoxin	7542.00	3416.00	9166.00	1.00	5968.00	5284.00	9762.00	6622.00	1.00	9908.00	10598.00	3749.00	6474.00	4291.00	5765.00	3920.00	5820.00	6676.00	5855.00	7111.00	3742.00	5297.00	3215.00	7299.00	5181.00	6089.00	7789.00	3503.00	3339.00	10241.00
C16 H34 O4 Esi+11.743996 :1	27418.00	27685.00	28708.00	44833.00	25175.00	44237.00	39771.00	37923.00	19838.00	22924.00	25916.00	37824.00	33414.00	29452.00	26429.00	38102.00	57324.00	32212.00	29694.00	51563.00	36563.00	53811.00	39504.00	30445.00	37323.00	77547.00	22750.00	22391.00	37944.00	35921.00
dodecanamide Esi+10.543 :1	41735.00	37143.00	41264.00	34736.00	28792.00	37713.00	44466.00	35983.00	38317.00	42806.00	46272.00	45280.00	37599.00	44991.00	43547.00	39328.00	34951.00	33232.00	42805.00	33280.00	39429.00	39840.00	43965.00	10324.00	43351.00	29502.00	33993.00	34673.00	32147.00	39143.00
C29 H57 N18	30596.00	37378.00	24530.00	31616.00	37369.00	30331.00	37667.00	24826.00	32555.00	33465.00	37765.00	26458.00	27078.00	33829.00	26605.00	29552.00	26014.00	21776.00	21473.00	27980.00	23345.00	39136.00	19565.00	36228.00	33588.00	24396.00	29367.00	29724.00	25829.00	24117.00
C25 H46 N2 O3	12111.00	1.00	22886.00	1.00	5861.00	1.00	6717.00	38768.00	1.00	25083.00	1.00	28777.00	21757.00	23702.00	1.00	1.00	1.00	12321.00	1.00	4106.00	7096.00	4005.00	1.00	1.00	1.00	1.00	10719.00	1.00	1.00	46462.00
9Z,12E,15Z-octadecatrienoic acid	10790.00	10599.00	16476.00	9691.00	12947.00	16951.00	13162.00	11355.00	11398.00	12436.00	16164.00	9278.00	16534.00	13298.00	9525.00	13210.00	12370.00	10437.00	11351.00	11897.00	14883.00	7628.00	17035.00	13131.00	9887.00	14038.00	15224.00	12806.00	10295.00	11555.00
C32 H61 N15	7578.00	8029.00	9562.00	6762.00	6028.00	6212.00	5970.00	11371.00	5806.00	6249.00	7179.00	8509.00	8676.00	6722.00	6394.00	6673.00	6415.00	5754.00	5416.00	5423.00	7291.00	6474.00	6982.00	7454.00	7937.00	8438.00	7116.00	5098.00	6333.00	8372.00
C36 H73 N21 O2	8081.00	9112.00	9153.00	7281.00	5177.00	5855.00	7306.00	11165.00	5581.00	5231.00	6767.00	8685.00	10507.00	6354.00	4527.00	8109.00	6181.00	5625.00	4694.00	5536.00	7443.00	6707.00	6338.00	8190.00	8149.00	7650.00	8288.00	5038.00	5819.00	8109.00
C32 H63 N18	8936.00	9549.00	10011.00	8212.00	6979.00	6383.00	7749.00	10107.00	6628.00	6347.00	9194.00	10719.00	11027.00	7393.00	6897.00	7824.00	6596.00	6126.00	4929.00	5194.00	8452.00	8708.00	7084.00	8678.00	10886.00	8875.00	8700.00	5761.00	6616.00	9142.00
Yellow OB	8032.00	7700.00	8222.00	7914.00	5384.00	5385.00	4865.00	7801.00	5803.00	9395.00	6105.00	6355.00	7314.00	6748.00	5308.00	5197.00	4915.00	6136.00	5762.00	4249.00	4885.00	6677.00	6922.00	7449.00	5874.00	5885.00	7842.00	6882.00	4979.00	7972.00
N'-Nitrosonornicotine	5431.00	3198.00	4628.00	4296.00	3291.00	7614.00	7484.00	5104.00	1.00	5875.00	4999.00	7276.00	8800.00	8341.00	5201.00	6956.00	6814.00	10179.00	4891.00	9198.00	8849.00	8703.00	4156.00	6676.00	8068.00	8040.00	3419.00	6932.00	8717.00	1.00
Nobilin	4889.00	5820.00	7269.00	6763.00	3946.00	1.00	8244.00	8929.00	1.00	10684.00	3926.00	1.00	1.00	4746.00	1.00	1.00	1.00	1.00	3965.00	7538.00	1.00	6971.00	1.00	8490.00	3930.00	4871.00	8290.00	6995.00	1.00	5652.00
C31 H65 N11 O5	5034.00	6289.00	6450.00	5692.00	5586.00	3817.00	3398.00	10980.00	4200.00	4857.00	4713.00	6486.00	6511.00	4912.00	4830.00	3923.00	3783.00	4659.00	3085.00	3999.00	4158.00	3723.00	3972.00	4138.00	4692.00	10555.00	4326.00	3439.00	1.00	5052.00
1,2-Dioctanoyl-sn-glycerol	8805.00	8094.00	7951.00	8106.00	7641.00	8236.00	7288.00	8799.00	7158.00	8056.00	7699.00	7664.00	7451.00	8223.00	6499.00	8130.00	7304.00	5485.00	7414.00	8208.00	8208.00	8527.00	7624.00	7429.00	6944.00	7052.00	7511.00	6964.00	7914.00	8455.00
Acetylenic acids; 10,16-Heptadecadien-8-ynoic acid, 7-hydroxy, (E)-	8183.00	8678.00	8077.00	10287.00	10254.00	9839.00	9161.00	7486.00	9313.00	10015.00	8140.00	9849.00	10520.00	8979.00	10161.00	8860.00	8602.00	8889.00	8472.00	8424.00	11391.00	11129.00	8504.00	8620.00	9733.00	7713.00	8871.00	8061.00	9866.00	9097.00
C23 H33 N8 O7	7132.00	7237.00	8314.00	7999.00	7464.00	7522.00	7971.00	7548.00	7410.00	7972.00	7438.00	7073.00	8019.00	6383.00	7112.00	7633.00	7394.00	7492.00	6893.00	7689.00	7725.00	7510.00	7651.00	8796.00	7561.00	7607.00	5784.00	7216.00	7822.00	7258.00
2'-Deoxyuridine 5'-diphosphate (dUDP)	7360.00	13952.00	14396.00	13436.00	17735.00	9779.00	13004.00	12209.00	7916.00	14704.00	21615.00	11040.00	12185.00	11386.00	13233.00	1.00	5483.00	16981.00	13588.00	7518.00	7702.00	9642.00	1.00	16849.00	6656.00	12654.00	22060.00	4605.00	1.00	13273.00
4-Hydrocinnamoyl-2,2,5-trimethyl-4-cyclopentene-1,3-dione	8079.00	7197.00	8415.00	8676.00	6547.00	8226.00	7707.00	8307.00	6965.00	8320.00	8268.00	7594.00	7155.00	7290.00	7110.00	7690.00	7710.00	7833.00	7094.00	8649.00	7596.00	8659.00	7339.00	7537.00	8031.00	7828.00	6507.00	8507.00	6942.00	8819.00
Stearamide	16465.00	8505.00	20032.00	8114.00	8366.00	8985.00	8890.00	8813.00	9045.00	7699.00	7862.00	8438.00	16628.00	7067.00	10512.00	11296.00	8170.00	8912.00	6293.00	8253.00	8919.00	9272.00	9418.00	10229.00	8093.00	8727.00	17084.00	7659.00	8670.00	10027.00
C15 H N2 O15 S2	6833.00	8441.00	6487.00	6365.00	4848.00	7264.00	7881.00	9519.00	6136.00	5122.00	8420.00	8114.00	9464.00	6907.00	6360.00	8752.00	7347.00	5675.00	5956.00	5589.00	8584.00	5625.00	6752.00	8373.00	7925.00	8820.00	8367.00	5288.00	7667.00	9000.00
Anopterine Esi+12.212003	5729.00	5194.00	5360.00	1.00	11414.00	6244.00	7634.00	8615.00	3066.00	8883.00	6027.00	3199.00	4903.00	1.00	3500.00	8028.00	1.00	1.00	1.00	5543.00	1.00	8655.00	5087.00	8358.00	3675.00	1.00	7604.00	1.00	6574.00	1.00
N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine	14406.00	14767.00	12221.00	19126.00	14113.00	22043.00	11449.00	10362.00	11744.00	14249.00	12336.00	15761.00	16764.00	9952.00	13202.00	15841.00	15485.00	11357.00	8787.00	11174.00	16077.00	15219.00	17136.00	15852.00	15666.00	12062.00	11025.00	13500.00	21611.00	10026.00
PHOME	5250.00	4429.00	4774.00	4840.00	7569.00	6938.00	7573.00	7331.00	3961.00	7889.00	8662.00	3535.00	3780.00	4703.00	4235.00	6692.00	3953.00	3915.00	5021.00	7087.00	4580.00	7686.00	4033.00	6103.00	5000.00	4754.00	6892.00	4095.00	5999.00	4106.00
C35 H69 N5 O5	7624.00	10771.00	9215.00	8784.00	7650.00	5894.00	8036.00	10215.00	8300.00	8773.00	8281.00	11003.00	9142.00	7226.00	7554.00	7127.00	6822.00	7207.00	5904.00	7206.00	7953.00	8453.00	7715.00	9245.00	8085.00	8917.00	10546.00	6823.00	8213.00	10020.00
PE(18:2(9Z,12Z)/18:3(6Z,9Z,12Z))	7365.00	8111.00	6527.00	7261.00	5690.00	6409.00	6974.00	8229.00	4527.00	4479.00	10181.00	8911.00	7216.00	5358.00	5680.00	7488.00	5784.00	6077.00	5198.00	5667.00	8002.00	5473.00	7469.00	6912.00	6996.00	7270.00	8809.00	4515.00	5790.00	7132.00
C33 H59 N8 O4	7936.00	8913.00	8437.00	7294.00	8439.00	9474.00	7893.00	7800.00	7989.00	8035.00	10125.00	9481.00	8651.00	7573.00	6649.00	6357.00	8504.00	6753.00	4889.00	5857.00	8440.00	8168.00	8948.00	7824.00	7270.00	8349.00	6296.00	8759.00	8675.00	7987.00
C29 H59 N8 O2	8352.00	7930.00	10081.00	8110.00	7870.00	8088.00	7761.00	9258.00	6325.00	9449.00	7372.00	9570.00	7853.00	8250.00	5642.00	6780.00	7005.00	6421.00	5638.00	5780.00	8144.00	7429.00	8417.00	8564.00	8955.00	8412.00	8590.00	7048.00	7571.00	10531.00
Piscidic Acid	14018.00	11897.00	14169.00	12076.00	12731.00	11608.00	13179.00	13025.00	12178.00	12938.00	13481.00	13456.00	12990.00	12127.00	13187.00	13918.00	13520.00	13532.00	14300.00	14133.00	14705.00	13663.00	14634.00	12330.00	14272.00	14036.00	12874.00	12781.00	12033.00	13356.00
N-oleoyl phenylalanine	7124.00	7502.00	6542.00	6930.00	5769.00	5505.00	6256.00	10058.00	4794.00	4779.00	7649.00	7024.00	8658.00	5627.00	4659.00	5182.00	4378.00	4926.00	3833.00	3717.00	6834.00	6645.00	5433.00	7568.00	6704.00	7779.00	8266.00	3363.00	4970.00	7460.00
C27 H57 N11 O2	7552.00	8418.00	10071.00	8917.00	6433.00	8754.00	7688.00	9929.00	5749.00	8201.00	8513.00	9917.00	8533.00	6995.00	6305.00	8241.00	6891.00	6518.00	5236.00	5097.00	6957.00	6936.00	6897.00	7675.00	7755.00	8909.00	6698.00	5949.00	6725.00	8205.00
C22 H41 N8 O6	7421.00	6589.00	7652.00	7274.00	7112.00	7837.00	6574.00	7521.00	7021.00	6435.00	7028.00	8097.00	7026.00	6599.00	7077.00	6788.00	6864.00	7213.00	7650.00	6475.00	7220.00	7379.00	8586.00	7680.00	7931.00	7847.00	5969.00	7249.00	7331.00	7362.00
Cholest-5-ene	8977.00	7840.00	8027.00	8428.00	7372.00	7358.00	8146.00	6913.00	8166.00	6959.00	6999.00	7770.00	6963.00	5821.00	7795.00	6502.00	7221.00	7380.00	6278.00	7339.00	7892.00	8417.00	7420.00	7578.00	7866.00	7172.00	7679.00	6920.00	7259.00	7448.00
C24 H11 O2 S	5785.00	9917.00	7181.00	5756.00	4457.00	1.00	5597.00	6927.00	3061.00	5225.00	5867.00	6859.00	3620.00	6367.00	1.00	1.00	1.00	6028.00	1.00	1.00	5595.00	3562.00	1.00	6775.00	1.00	6091.00	6248.00	1.00	1.00	6686.00
C28 H55 N18	6983.00	11436.00	12387.00	8523.00	6110.00	7228.00	6436.00	21087.00	5044.00	6690.00	6209.00	10357.00	8738.00	7638.00	7722.00	7284.00	8709.00	6416.00	5184.00	5087.00	6075.00	6812.00	6071.00	6731.00	8974.00	8932.00	7538.00	5747.00	6868.00	6864.00
3R-hydroxy-dodecanoic acid	1.00	3918.00	5799.00	4350.00	1.00	1.00	3794.00	4980.00	3410.00	6231.00	1.00	1.00	1.00	3531.00	1.00	19089.00	12392.00	1.00	4084.00	4998.00	1.00	1.00	1.00	3975.00	3375.00	3171.00	4666.00	5346.00	1.00	7216.00
C16 H Cl N O11 S4	8458.00	7430.00	7767.00	8685.00	8984.00	8833.00	7878.00	7468.00	7192.00	7534.00	9584.00	9097.00	9342.00	6416.00	8074.00	1.00	8745.00	7633.00	7717.00	7756.00	8641.00	7491.00	8995.00	7023.00	8398.00	8272.00	8367.00	8511.00	8664.00	7845.00
MG(0:0/20:3(11Z,14Z,17Z)/0:0) Esi+11.408998 :2	69339.00	174297.00	156524.00	10849.00	10345.00	24046.00	34287.00	76954.00	11278.00	125083.00	98000.00	23402.00	39539.00	114021.00	14344.00	19685.00	44714.00	42236.00	27491.00	51251.00	38795.00	36357.00	16141.00	238369.00	42379.00	19413.00	28342.00	45510.00	1.00	119404.00
Goniodomin A	7255.00	6811.00	6529.00	7146.00	8082.00	7927.00	8376.00	6802.00	6451.00	5968.00	7656.00	8377.00	7529.00	6022.00	8314.00	1.00	8774.00	7218.00	7472.00	7119.00	8276.00	6921.00	10937.00	5736.00	8607.00	8858.00	6567.00	7888.00	9052.00	6092.00
Dichamanetin Esi+9.670999 :1	19150.00	11973.00	18736.00	6943.00	26347.00	19370.00	22933.00	18144.00	12902.00	25676.00	17459.00	5619.00	24567.00	1.00	14346.00	39239.00	18677.00	3324.00	4342.00	16124.00	10842.00	24556.00	19195.00	20048.00	1.00	7499.00	28827.00	9889.00	17116.00	1.00
C27 H51 N8 O2	22419.00	24070.00	24879.00	23624.00	24191.00	23823.00	22343.00	21153.00	21160.00	22051.00	23377.00	55725.00	23860.00	24479.00	22970.00	22488.00	20992.00	21571.00	19939.00	20629.00	25693.00	23883.00	21819.00	21414.00	23919.00	22187.00	22415.00	21726.00	23879.00	23038.00
Gentamicin C1a	9971.00	9898.00	10650.00	10011.00	7707.00	9684.00	9037.00	9688.00	8916.00	9946.00	9752.00	10700.00	8475.00	9345.00	8908.00	8699.00	8733.00	9742.00	6984.00	8917.00	8685.00	9099.00	7953.00	6606.00	8058.00	10562.00	6563.00	9580.00	7679.00	9510.00
PC(O-16:0/19:1(9Z))	6763.00	5713.00	7022.00	6246.00	7174.00	8031.00	5933.00	4342.00	6485.00	5611.00	7083.00	7266.00	7513.00	5108.00	6138.00	1.00	6514.00	6786.00	6152.00	5436.00	7039.00	5767.00	8974.00	4954.00	7258.00	6823.00	6036.00	7209.00	8120.00	5105.00
Deoxyuridine monophosphate (dUMP)	4133.00	1.00	5633.00	5279.00	6696.00	1.00	5319.00	4463.00	1.00	6666.00	5243.00	1.00	4659.00	1.00	6792.00	1.00	1.00	6170.00	7776.00	3164.00	1.00	1.00	1.00	6486.00	1.00	3173.00	8666.00	1.00	1.00	4539.00
C24 H15 N4 O20 S	7457.00	9347.00	7241.00	8444.00	7595.00	8108.00	8855.00	9157.00	5461.00	5041.00	7866.00	9428.00	8901.00	6235.00	6231.00	7563.00	6765.00	5838.00	5127.00	7242.00	7508.00	7352.00	6936.00	8951.00	8741.00	8151.00	8442.00	5574.00	6168.00	8299.00
C31 H63 N8 O3	8677.00	8819.00	9066.00	8182.00	6948.00	7109.00	7208.00	10525.00	6957.00	7439.00	7395.00	8605.00	8479.00	7212.00	5851.00	7247.00	7233.00	6627.00	6297.00	6582.00	8230.00	7798.00	7935.00	9627.00	9080.00	8017.00	9034.00	5796.00	5972.00	9644.00
His Pro Ile	7900.00	6417.00	6737.00	7092.00	6647.00	8345.00	7210.00	7035.00	6659.00	7183.00	7386.00	8143.00	7722.00	5550.00	7441.00	6684.00	6594.00	7144.00	6061.00	5991.00	7852.00	6904.00	7039.00	6202.00	6206.00	6823.00	7484.00	7173.00	7619.00	7138.00
Dihydrozeatin riboside	4652.00	5241.00	6541.00	6345.00	3643.00	1.00	7332.00	7610.00	1.00	9526.00	3484.00	3085.00	1.00	4924.00	1.00	1.00	1.00	1.00	4067.00	8228.00	3110.00	6217.00	1.00	6913.00	4063.00	4515.00	7742.00	7135.00	3448.00	6542.00
Hydroxyflutamide	6480.00	3319.00	3958.00	1.00	1.00	9127.00	1.00	8412.00	8620.00	3876.00	1.00	4079.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	8166.00	1.00	1.00	1.00	7384.00	4600.00	1.00	6090.00	1.00
C50 H82 N6 O Esi+13.744997 :1	20301.00	21517.00	18650.00	21664.00	22500.00	23023.00	19351.00	19280.00	20076.00	16602.00	21964.00	24013.00	20308.00	20695.00	21821.00	22174.00	18012.00	20145.00	15945.00	17705.00	22417.00	21285.00	23115.00	22146.00	19779.00	20296.00	18616.00	17475.00	21540.00	17100.00
4-Hydroxyphenylretinamide	9436.00	7834.00	8859.00	9467.00	8440.00	8986.00	8853.00	8603.00	8408.00	8746.00	8099.00	10703.00	9613.00	8141.00	7994.00	8617.00	9099.00	7890.00	9105.00	8777.00	8572.00	8919.00	9429.00	7112.00	7850.00	9011.00	7591.00	8073.00	8502.00	10357.00
C38 H81 N7 S	7132.00	4496.00	4869.00	5333.00	6276.00	5745.00	5588.00	5258.00	4776.00	5541.00	7051.00	5794.00	5589.00	3378.00	6508.00	1.00	6116.00	6792.00	5741.00	5409.00	5953.00	5162.00	6312.00	5781.00	6105.00	5561.00	6881.00	6673.00	5522.00	5598.00
3-Deoxo-3?-Hydroxymexicanolide 16-Enol Ether	7379.00	5780.00	6534.00	7024.00	5340.00	4434.00	8239.00	6526.00	6359.00	9208.00	5046.00	4953.00	4706.00	8427.00	5774.00	4693.00	6790.00	1.00	4707.00	6906.00	4950.00	5373.00	5455.00	6277.00	7209.00	4912.00	5203.00	5374.00	6087.00	7494.00
C29 H57 N18 Esi+12.769005	28856.00	37425.00	24526.00	25118.00	37369.00	25113.00	37508.00	24809.00	32070.00	33468.00	37765.00	26456.00	27174.00	35571.00	26507.00	29552.00	25119.00	21679.00	21689.00	27982.00	23662.00	38861.00	19564.00	35519.00	33934.00	24388.00	29367.00	23792.00	26027.00	19111.00
C19 H28 O4	1.00	3302.00	3363.00	1.00	1.00	1.00	1.00	1.00	1.00	4556.00	1.00	3448.00	1.00	1.00	1.00	1.00	3288.00	1.00	3785.00	3291.00	1.00	1.00	1.00	1.00	3492.00	1.00	1.00	3253.00	4674.00	4528.00
Icaritin 3-rhamnoside	1.00	1.00	6504.00	1.00	1.00	1.00	1.00	6311.00	1.00	6056.00	1.00	1.00	3373.00	5191.00	1.00	1.00	1.00	1.00	7640.00	4869.00	1.00	1.00	1.00	5503.00	1.00	1.00	1.00	1.00	1.00	7639.00
C27 H55 N8 O2	6136.00	7930.00	6960.00	9322.00	5744.00	6164.00	6317.00	7255.00	4578.00	7207.00	8332.00	8539.00	7100.00	6057.00	5413.00	5915.00	5110.00	4858.00	5435.00	5216.00	7399.00	5506.00	5180.00	6457.00	6666.00	8338.00	8200.00	6032.00	5597.00	7390.00
Ethosuximide	1.00	1.00	1.00	8585.00	1.00	1.00	1.00	6751.00	5911.00	11880.00	1.00	9027.00	1.00	3661.00	1.00	1.00	1.00	6507.00	1.00	3770.00	3106.00	8454.00	1.00	4817.00	5255.00	6870.00	1.00	1.00	1.00	3398.00
DAF-2 diacetate	5380.00	5672.00	5156.00	4843.00	5161.00	4832.00	4189.00	4772.00	3956.00	3626.00	5531.00	5892.00	4032.00	3999.00	4168.00	4173.00	3174.00	3920.00	3852.00	3271.00	6623.00	5548.00	4584.00	5593.00	4266.00	3345.00	3660.00	4516.00	3308.00	3612.00
PA(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	20315.00	18898.00	22599.00	19353.00	17599.00	16824.00	17712.00	19004.00	19211.00	19473.00	16984.00	18777.00	19343.00	19581.00	15729.00	12831.00	9262.00	17431.00	14897.00	16072.00	18269.00	17512.00	20386.00	18270.00	18253.00	19472.00	16739.00	19221.00	15549.00	19687.00
C23 H35 N20 O9	7388.00	7709.00	8231.00	6592.00	5151.00	3610.00	7764.00	6367.00	5190.00	5929.00	6679.00	5217.00	3705.00	5537.00	5454.00	1.00	1.00	5983.00	4247.00	6353.00	5057.00	5303.00	1.00	5246.00	3729.00	4951.00	6248.00	4007.00	1.00	5566.00
C14 H7 N2 O12	5074.00	9003.00	6600.00	7364.00	7255.00	1.00	5841.00	6383.00	3862.00	5976.00	6119.00	5890.00	3855.00	6406.00	3467.00	1.00	1.00	6932.00	4143.00	1.00	4511.00	1.00	1.00	7437.00	1.00	6339.00	7265.00	1.00	1.00	6656.00
trans-Zeatin riboside monophosphate	4109.00	4940.00	5876.00	5749.00	1.00	1.00	6762.00	6937.00	1.00	8960.00	1.00	1.00	1.00	3408.00	1.00	1.00	1.00	1.00	1.00	5811.00	1.00	5956.00	1.00	7093.00	3392.00	4008.00	6637.00	4715.00	1.00	4576.00
Meptazinol	8073.00	7336.00	7886.00	7061.00	6878.00	7972.00	7075.00	7487.00	7520.00	6928.00	6749.00	8621.00	7269.00	6800.00	6683.00	6663.00	7608.00	7326.00	7202.00	6826.00	6909.00	8070.00	8911.00	7573.00	7446.00	6878.00	6221.00	6760.00	7622.00	7300.00
Nicotine-1'-N-oxide	9592.00	8894.00	9983.00	8395.00	8037.00	9710.00	9277.00	8143.00	7428.00	7358.00	8212.00	9919.00	7815.00	8803.00	8449.00	9946.00	7392.00	9686.00	7392.00	9342.00	9104.00	8139.00	9293.00	8509.00	8606.00	8214.00	8647.00	9542.00	8654.00	8184.00
Homocystine	3037.00	1.00	3439.00	3954.00	7480.00	1.00	4687.00	1.00	1.00	4765.00	1.00	1.00	5897.00	1.00	5005.00	1.00	1.00	4145.00	5756.00	3692.00	1.00	1.00	1.00	1.00	1.00	1.00	6008.00	1.00	1.00	1.00
10-Oxogeranial	8406.00	8243.00	9879.00	8569.00	8673.00	9582.00	7268.00	8393.00	8839.00	7975.00	6838.00	9371.00	8739.00	8790.00	7853.00	7644.00	7604.00	7378.00	8987.00	7558.00	8029.00	8350.00	7924.00	8209.00	8348.00	8503.00	8387.00	9315.00	8271.00	7955.00
Oleoyl Ethyl Amide	11305.00	11754.00	9442.00	11145.00	10553.00	13774.00	7892.00	10111.00	11327.00	11057.00	10431.00	16812.00	8615.00	9633.00	10551.00	9883.00	10525.00	11569.00	8708.00	9148.00	18760.00	16697.00	10835.00	11040.00	14971.00	11841.00	9214.00	8386.00	11595.00	1.00
DL-PDMP	8127.00	6412.00	8546.00	5947.00	7294.00	6115.00	6564.00	9354.00	5911.00	7749.00	6673.00	7511.00	7448.00	6369.00	6620.00	6775.00	6513.00	7985.00	5839.00	5338.00	6793.00	7775.00	7727.00	6872.00	6268.00	7417.00	7187.00	6799.00	6842.00	8704.00
Uracil 5-carbaldehyde Esi+11.906003	6395.00	5831.00	5299.00	5909.00	5955.00	5130.00	4591.00	4480.00	4300.00	4015.00	5808.00	6413.00	5029.00	4274.00	5361.00	4541.00	4963.00	4132.00	5368.00	4449.00	6105.00	5355.00	6079.00	6171.00	4854.00	4801.00	4772.00	5369.00	3487.00	4386.00
Trypanothione disulfide	6985.00	5775.00	6850.00	5636.00	5555.00	5638.00	6694.00	5256.00	5896.00	5917.00	6331.00	5850.00	5946.00	5162.00	5648.00	1.00	5201.00	6116.00	5209.00	6256.00	6016.00	5464.00	1.00	4949.00	4919.00	5508.00	6018.00	7341.00	1.00	5482.00
24-Nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-pentol Esi+11.635002 :1	32231.00	33680.00	34299.00	34207.00	27070.00	31128.00	33259.00	38943.00	24369.00	36458.00	32515.00	29482.00	29967.00	32302.00	29686.00	33674.00	25729.00	27221.00	34824.00	34239.00	32906.00	37645.00	32555.00	32900.00	30983.00	31855.00	31913.00	32958.00	33410.00	35223.00
24-Nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-pentol Esi+11.903998	5676.00	13555.00	13373.00	12036.00	5900.00	4921.00	7242.00	14983.00	6499.00	7317.00	6079.00	9583.00	11542.00	11074.00	5481.00	12902.00	5493.00	5512.00	13623.00	13099.00	11101.00	6723.00	12367.00	12221.00	12715.00	12389.00	11849.00	13222.00	12279.00	14715.00
Huratoxin	6544.00	5067.00	5788.00	6437.00	4937.00	6248.00	5795.00	6197.00	6246.00	5802.00	5250.00	5884.00	6125.00	5578.00	6792.00	5299.00	5550.00	6432.00	5716.00	5790.00	7132.00	6060.00	6240.00	6771.00	5887.00	6428.00	5970.00	6509.00	5906.00	6504.00
C32 H61 N15 O2	9641.00	10374.00	10224.00	10044.00	11866.00	9121.00	11461.00	9038.00	6166.00	12847.00	11870.00	8756.00	6845.00	9404.00	8121.00	9038.00	8294.00	7144.00	7159.00	8377.00	7736.00	10962.00	7922.00	10165.00	7240.00	8473.00	9035.00	8005.00	7335.00	5758.00
C29 H59 N21 Esi+12.748996	28884.00	28926.00	22604.00	24398.00	28727.00	28539.00	26599.00	24986.00	22908.00	30465.00	18278.00	27773.00	19382.00	26726.00	20286.00	25993.00	20439.00	24375.00	20734.00	19646.00	22957.00	27049.00	20819.00	26843.00	20632.00	20811.00	22030.00	20493.00	15705.00	18265.00
l-2-hydroxy-decanoic acid Esi+5.0709996 :1	127397.00	22205.00	93363.00	25002.00	80385.00	125879.00	13884.00	78717.00	74702.00	121795.00	120571.00	51157.00	82389.00	125994.00	79599.00	52233.00	39765.00	19040.00	79810.00	60675.00	53099.00	44227.00	83376.00	35715.00	146737.00	62341.00	110425.00	106090.00	95197.00	65144.00
17,20-dimethyl Prostaglandin F1? Esi+12.886995	6123.00	6068.00	5797.00	5665.00	5128.00	5487.00	5184.00	5136.00	5415.00	5819.00	5476.00	5703.00	5837.00	5491.00	5186.00	5729.00	5160.00	5070.00	5705.00	5329.00	6417.00	5726.00	6094.00	5787.00	6126.00	6218.00	5336.00	5498.00	5298.00	6237.00
C46 H55 N11 O2	7283.00	6941.00	7051.00	6953.00	7314.00	6554.00	7076.00	6799.00	6532.00	6664.00	6358.00	7958.00	6964.00	6718.00	7201.00	1.00	6050.00	6095.00	7105.00	6359.00	7435.00	6623.00	6490.00	5944.00	7946.00	6911.00	5909.00	6188.00	7048.00	6704.00
estra-5,7,9-triene-3?,17?-diol	4916.00	4765.00	5324.00	5938.00	5221.00	4388.00	5381.00	5803.00	5684.00	4044.00	5289.00	6682.00	4849.00	5273.00	4985.00	4971.00	4904.00	4746.00	4303.00	4905.00	7084.00	4702.00	5701.00	5076.00	3657.00	5744.00	5159.00	4771.00	4315.00	4217.00
Chlorbufam	6277.00	6994.00	6248.00	5751.00	5390.00	4480.00	4178.00	4301.00	4464.00	3358.00	5578.00	5904.00	4646.00	4174.00	4653.00	3622.00	3224.00	4638.00	4213.00	3474.00	5507.00	6124.00	5350.00	5462.00	4538.00	4065.00	3664.00	3613.00	3743.00	3426.00
C18 H Cl3 N2 O16 S2	6203.00	5887.00	5797.00	5637.00	5344.00	5708.00	5719.00	6514.00	4546.00	5591.00	6654.00	6646.00	6783.00	6654.00	5305.00	1.00	6099.00	5205.00	5959.00	4956.00	6898.00	5669.00	6088.00	6089.00	5742.00	6292.00	6693.00	5312.00	6582.00	6386.00
Vat Yellow 4	7198.00	5950.00	6567.00	4769.00	5279.00	5173.00	3580.00	3756.00	1.00	3977.00	6660.00	6847.00	3899.00	3607.00	3601.00	1.00	1.00	1.00	1.00	3177.00	6199.00	5033.00	4261.00	5597.00	4406.00	3495.00	3129.00	3811.00	1.00	1.00
Arachidic acid(d3)	5665.00	4840.00	5042.00	4425.00	5362.00	5291.00	4504.00	5564.00	5503.00	4839.00	5479.00	5706.00	5963.00	4625.00	5352.00	1.00	5420.00	5473.00	6584.00	5303.00	5327.00	5194.00	5961.00	5163.00	5304.00	5923.00	5079.00	5894.00	4762.00	5697.00
N-[(3a,5b,7b)-7-hydroxy-24-oxo-3-(sulfoxy)cholan-24-yl]-Glycine	6769.00	5613.00	7057.00	6781.00	5845.00	6324.00	6425.00	6469.00	7215.00	5878.00	6981.00	7551.00	6240.00	5821.00	5496.00	5575.00	6337.00	5829.00	5237.00	5705.00	6646.00	5923.00	5505.00	4976.00	5251.00	5604.00	6388.00	5984.00	5086.00	5281.00
C9 H17 N8	3767.00	3436.00	1.00	6498.00	4826.00	9658.00	4194.00	3680.00	1.00	4603.00	4636.00	1.00	3666.00	7040.00	3459.00	1.00	4372.00	4418.00	4791.00	3821.00	1.00	10834.00	4245.00	1.00	7165.00	7700.00	1.00	1.00	5156.00	4272.00
C29 H55 N15	19594.00	21930.00	27087.00	29600.00	34870.00	23714.00	25785.00	19360.00	27129.00	24401.00	22478.00	17171.00	14204.00	12280.00	19863.00	20784.00	29779.00	18758.00	11183.00	23897.00	7402.00	22740.00	14733.00	20221.00	17782.00	17758.00	28724.00	17325.00	16304.00	15705.00
3-Nitrosothiazolidine	5922.00	7051.00	6445.00	5432.00	3161.00	1.00	5000.00	5835.00	4121.00	5118.00	3666.00	4611.00	4585.00	1.00	1.00	1.00	1.00	3944.00	3176.00	1.00	5821.00	1.00	1.00	5046.00	3827.00	3219.00	4318.00	1.00	1.00	5384.00
C14 N O18 S	7813.00	8057.00	7831.00	6792.00	7861.00	8854.00	7785.00	7161.00	6541.00	6145.00	9341.00	7606.00	8878.00	6962.00	8312.00	1.00	7270.00	7419.00	7331.00	7520.00	7681.00	6882.00	7450.00	5434.00	7305.00	7321.00	7064.00	7237.00	7710.00	7204.00
PE(18:1(9Z)/15:1(9Z))	3483.00	1.00	1.00	4274.00	5065.00	5503.00	4223.00	3539.00	5075.00	3771.00	3893.00	4903.00	4554.00	4305.00	5082.00	1.00	5885.00	4616.00	4112.00	4242.00	5211.00	5252.00	7304.00	3550.00	5546.00	4717.00	3511.00	5642.00	6821.00	3124.00
Buchananine	5842.00	5902.00	6400.00	5298.00	5278.00	4026.00	3690.00	3813.00	3896.00	3324.00	6015.00	7007.00	4324.00	3537.00	1.00	3516.00	1.00	3433.00	3141.00	3132.00	6532.00	5208.00	4844.00	5770.00	4125.00	3337.00	3047.00	3267.00	3325.00	3519.00
C44 H85 N O	6847.00	7154.00	4976.00	6743.00	6220.00	6845.00	6154.00	6589.00	6210.00	5447.00	6294.00	5655.00	7174.00	5066.00	5995.00	1.00	6303.00	7179.00	6174.00	7176.00	6311.00	6196.00	6781.00	6841.00	6150.00	8059.00	6922.00	7399.00	5925.00	5167.00
Diethylstilbestryl disulfate	5989.00	5994.00	4723.00	6641.00	5772.00	5713.00	4555.00	4370.00	4380.00	4288.00	6124.00	6621.00	5645.00	4659.00	5849.00	4187.00	4522.00	4519.00	3521.00	4568.00	6678.00	5959.00	6707.00	6549.00	4928.00	4312.00	4006.00	5166.00	3838.00	4217.00
24-Nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-pentol Esi+11.635002 :2	32231.00	33238.00	33117.00	33563.00	8325.00	31128.00	33259.00	38545.00	6481.00	8798.00	32544.00	29503.00	29967.00	32302.00	29686.00	34023.00	25729.00	27221.00	34824.00	34239.00	32906.00	37645.00	32857.00	32900.00	30983.00	31855.00	32304.00	32933.00	33408.00	35263.00
C42 H89 N3 O	4002.00	4291.00	5908.00	3947.00	6877.00	6533.00	5609.00	5104.00	5708.00	5199.00	5811.00	5592.00	3703.00	5470.00	4767.00	1.00	4421.00	4848.00	5427.00	4009.00	5346.00	4035.00	4286.00	3959.00	6318.00	4442.00	5689.00	4193.00	5185.00	5276.00
C42 H77 N10 O3	6225.00	3744.00	4928.00	5319.00	5503.00	4265.00	4161.00	1.00	4293.00	4085.00	4104.00	5339.00	3682.00	1.00	3813.00	1.00	5537.00	4304.00	4114.00	4617.00	4228.00	3647.00	4947.00	3422.00	4602.00	4877.00	3734.00	4301.00	4320.00	3647.00
C43 H84 Cl N2 S	4012.00	4889.00	4044.00	4548.00	4816.00	4894.00	4537.00	5016.00	5692.00	3566.00	4213.00	4685.00	4506.00	4703.00	4606.00	1.00	5015.00	4450.00	4417.00	5509.00	6010.00	4486.00	6386.00	3295.00	5187.00	5298.00	4946.00	4320.00	5997.00	4350.00
C44 H88 Cl N2 S	3786.00	4696.00	4449.00	3249.00	5407.00	5641.00	5040.00	5427.00	4150.00	4283.00	4312.00	4631.00	3090.00	4846.00	4905.00	1.00	3916.00	4839.00	5340.00	5784.00	5118.00	4581.00	5406.00	4264.00	4975.00	5530.00	4794.00	6432.00	5049.00	3886.00
C42 H89 N5	4502.00	5321.00	3776.00	5074.00	4245.00	5120.00	3526.00	4878.00	3939.00	4837.00	4687.00	3812.00	5183.00	3560.00	4720.00	1.00	5197.00	4381.00	4757.00	4431.00	5723.00	3874.00	4688.00	3594.00	4922.00	4715.00	5388.00	5128.00	4041.00	4434.00
C44 H87 N2 O	5646.00	4942.00	4636.00	4907.00	6248.00	6043.00	6576.00	5112.00	6055.00	5628.00	6945.00	7197.00	5693.00	5769.00	6664.00	1.00	6365.00	6007.00	6042.00	5688.00	4864.00	6055.00	5895.00	5954.00	6623.00	6044.00	6417.00	5898.00	6564.00	5093.00
(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone Esi+11.962003	13930.00	14984.00	14235.00	17690.00	17225.00	14274.00	12716.00	13748.00	12821.00	14259.00	20936.00	14430.00	12465.00	13913.00	13369.00	12751.00	13019.00	14776.00	13134.00	16549.00	15015.00	16905.00	20758.00	13703.00	15394.00	13488.00	12880.00	14371.00	14273.00	15472.00
PA(8:0/8:0) Esi+10.2680025	30845.00	28964.00	29975.00	30869.00	30782.00	30371.00	27793.00	30518.00	29549.00	27529.00	30180.00	32832.00	30178.00	30921.00	32296.00	28591.00	29147.00	31390.00	28518.00	27484.00	32334.00	29816.00	31647.00	29246.00	30180.00	30146.00	25183.00	28914.00	30924.00	31597.00
C33 H63 N15 O2	28888.00	28926.00	22089.00	25687.00	28727.00	28533.00	26599.00	25142.00	22915.00	30465.00	23234.00	27747.00	19226.00	26726.00	20286.00	25993.00	24216.00	24375.00	20599.00	19646.00	23152.00	26545.00	22078.00	26843.00	20632.00	20811.00	15449.00	20493.00	18586.00	18220.00
Myxalamid B Esi+13.260003	54120.00	45273.00	96936.00	28777.00	65796.00	21962.00	34110.00	28934.00	22928.00	64717.00	37646.00	42316.00	63017.00	39574.00	11413.00	5649.00	18446.00	174984.00	33418.00	36081.00	39989.00	39589.00	15196.00	12825.00	19004.00	26312.00	19821.00	21714.00	24807.00	137393.00
Sinactine	1773987.00	1.00	1.00	1.00	1.00	8191.00	4458.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C20 H13	55009.00	33151.00	8683.00	4718.00	6743.00	198009.00	32699.00	28028.00	5129.00	1.00	1.00	1.00	26628.00	31523.00	65331.00	5054.00	1.00	1.00	1.00	88711.00	1.00	1.00	1.00	1.00	37148.00	135567.00	71801.00	1.00	1.00	1156932.00
Trp-P-1	16697.00	47559.00	801731.00	3028.00	1.00	46597.00	31951.00	698809.00	10232.00	1.00	1.00	1.00	1.00	33805.00	14418.00	1.00	1.00	3573.00	1.00	885439.00	1.00	1.00	21131.00	1.00	6458.00	1.00	1.00	1.00	7319.00	5129.00
N-Methylanthranilic Acid Esi+3.771	1.00	1.00	1.00	1.00	15553.00	102056.00	1.00	1.00	1.00	1.00	1.00	618831.00	1.00	1.00	1.00	3634.00	4883.00	1.00	91142.00	260449.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
Metronidazole	1.00	280226.00	290057.00	513332.00	1.00	1.00	1.00	373348.00	455655.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
Terbucarb	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	52161.00	457861.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
Ciprofloxacin	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	381764.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	405345.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
O-Desmethylvenlafaxine	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	157724.00	152543.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
2,5-Dichloro-4-oxohex-2-enedioate Esi+1.184	1.00	17831.00	1.00	1.00	28207.00	22680.00	1.00	1.00	1.00	1.00	25322.00	8065.00	24588.00	28113.00	32526.00	17090.00	69234.00	25694.00	1.00	1.00	123589.00	89918.00	99146.00	1.00	1.00	1.00	1.00	9621.00	87507.00	1.00
Gln Met Phe	1.00	138071.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	129316.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	99768.00	1.00	1.00	1.00	135746.00	1.00	1.00	1.00	1.00
(p-Aminobenzyl)penicillin	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	22506.00	23693.00	1.00	1.00	1.00	1.00	1.00	9219.00	1.00	57233.00	1.00	1.00	1.00	1.00	129736.00	1.00	1.00	1.00	66232.00	1.00
Astragaloside III	1.00	1.00	1.00	1.00	1.00	1.00	1.00	5761.00	1.00	1.00	41643.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	6380.00	1.00	1.00	1.00	1.00	1.00	10765.00	1.00	1.00	121738.00	1.00	1.00
N-Hydroxyl-tryptamine	1.00	1.00	1.00	1.00	118707.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	26427.00	1.00	1.00	1.00	9049.00	1.00	36237.00	1.00	1.00	1.00	7341.00	1.00	1.00	30079.00	1.00
C24 H30 O6 Esi+10.942998	63143.00	91128.00	63402.00	63272.00	118096.00	73463.00	1.00	1.00	1.00	1.00	118291.00	84233.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	61701.00	89764.00	1.00	87737.00	56947.00	1.00	1.00	1.00	1.00	1.00
Decanoyl m-Nitroaniline	52086.00	4410.00	9813.00	9358.00	5981.00	3001.00	1.00	12181.00	1.00	1.00	1.00	78498.00	12323.00	8807.00	1.00	1.00	1.00	7570.00	3022.00	1.00	11708.00	21352.00	1.00	1.00	1.00	6479.00	5789.00	1.00	1.00	7618.00
4-Hydroxylevamisole	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	73657.00	1.00	1.00	1.00	1.00	12180.00	1.00	36634.00	1.00	1.00	1.00	43634.00	75830.00	1.00	1.00	1.00	55094.00	1.00	1.00	1.00	1.00	1.00
Desmethylmianserin glucuronide	1.00	51367.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	49969.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	39040.00	1.00	1.00	1.00	51439.00	1.00	1.00	1.00	1.00
Tussilagine Esi+1.1100003	163338.00	185433.00	99224.00	164771.00	156146.00	169947.00	104937.00	78966.00	155312.00	1.00	158431.00	178513.00	76030.00	85927.00	159232.00	119392.00	165315.00	126159.00	82260.00	70859.00	161137.00	63828.00	39827.00	72953.00	185416.00	95805.00	153549.00	94935.00	173315.00	48047.00
Practolol	1.00	1.00	1.00	24692.00	48107.00	46315.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	14633.00	1.00	22849.00	1.00	1.00	1.00	1.00
2-amino-4-cyano-butanoic acid Esi+1.2180002	5636.00	1.00	1.00	24054.00	1.00	22185.00	20279.00	1.00	67093.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	6582.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	4282.00	10197.00	5726.00	1.00	1.00	19522.00
2-Methylpyridine Esi+1.0009999	16552.00	1.00	1.00	20594.00	1.00	7657.00	1.00	39648.00	24989.00	1.00	1.00	37479.00	4444.00	1.00	5990.00	1.00	1.00	1.00	7484.00	7206.00	1.00	1.00	1.00	25427.00	1.00	12934.00	5887.00	16495.00	6777.00	37262.00
C19 H41 N19 O4	1.00	10151.00	5576.00	1.00	1.00	1.00	4530.00	1.00	1.00	1.00	1.00	1.00	4683.00	4190.00	14981.00	1.00	6140.00	4575.00	3448.00	1.00	1.00	3244.00	6591.00	1.00	1.00	4825.00	4561.00	4600.00	1.00	1.00
C20 H41 N8 O	4234.00	1.00	9478.00	3378.00	3028.00	11703.00	4243.00	5620.00	1.00	1.00	1.00	1.00	4276.00	1.00	1.00	6014.00	1.00	1.00	1.00	3730.00	3382.00	10620.00	3352.00	1.00	4353.00	8334.00	3649.00	1.00	3343.00	6787.00
Anandamide (20:l, n-9) Esi+12.479003 :1	8384.00	9620.00	54820.00	1.00	16338.00	1.00	1.00	51509.00	1.00	1.00	11811.00	1.00	48616.00	20560.00	1.00	1.00	21609.00	6345.00	15664.00	1.00	1.00	1.00	16378.00	1.00	1.00	1.00	19470.00	1.00	14759.00	76516.00
1,8-Diazacyclotetradecane-2,9-dione	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	4622.00	1.00	1.00	6435.00	1.00	7803.00	4621.00	3355.00	1.00	4171.00	3125.00	1.00	1.00	1.00	5481.00	1.00	3886.00	1.00
PE(O-20:0/0:0)	1.00	1.00	1.00	1.00	1.00	4220.00	18931.00	1.00	1.00	1.00	1.00	8343.00	14352.00	1.00	1.00	62635.00	34709.00	13256.00	1.00	105323.00	18593.00	1.00	12917.00	21649.00	1.00	46931.00	1.00	1.00	3709.00	1.00
C17 H30 N2 O3 Esi+6.8509984	1.00	1.00	1.00	4696.00	1.00	12438.00	17849.00	4622.00	1.00	1.00	1.00	13523.00	19890.00	7506.00	4579.00	42498.00	31588.00	18530.00	1.00	63896.00	24319.00	6378.00	14513.00	18979.00	1.00	42749.00	1.00	1.00	8657.00	1.00
Enniatin B4	8359.00	1.00	34455.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	13465.00	1.00	1.00	5461.00	1.00	1.00	1.00	1.00	1.00	1.00	4992.00	1.00	1.00	1.00	11258.00	1.00	1.00	1.00
C21 H32 N S2	1.00	1.00	1.00	3157.00	1.00	6214.00	11580.00	1.00	1.00	1.00	1.00	5673.00	10007.00	1.00	1.00	31732.00	18583.00	9498.00	1.00	41486.00	10467.00	1.00	10898.00	11084.00	1.00	26623.00	1.00	1.00	4276.00	1.00
C19 H40 O4	1.00	3426.00	1.00	17342.00	19049.00	1.00	8501.00	15813.00	1.00	1.00	1.00	6732.00	1.00	1.00	1.00	1.00	25633.00	1.00	13634.00	4332.00	7443.00	3535.00	4536.00	1.00	13122.00	43266.00	3925.00	6610.00	15258.00	24078.00
Tyr Ala Val Esi+5.6409993	1.00	1.00	1.00	3807.00	1.00	13716.00	18778.00	5053.00	1.00	1.00	1.00	13390.00	13318.00	7909.00	6315.00	26869.00	22376.00	7743.00	1.00	35055.00	18623.00	8520.00	9071.00	15092.00	1.00	46679.00	1.00	1.00	7058.00	1.00
Tyr Ala Val Esi+6.010001	1.00	1.00	1.00	1.00	1.00	7020.00	6539.00	1.00	1.00	1.00	1.00	12976.00	4283.00	5868.00	3277.00	18002.00	16179.00	7799.00	1.00	26810.00	12028.00	5610.00	10294.00	9082.00	1.00	28017.00	1.00	1.00	4119.00	1.00
10-nitro,9Z,12Z-octadecadienoic acid	1.00	1.00	1.00	3490.00	1.00	10926.00	9748.00	4578.00	1.00	1.00	1.00	6299.00	15520.00	6838.00	8384.00	21451.00	14322.00	7471.00	1.00	26249.00	10011.00	8208.00	5948.00	6311.00	4018.00	16123.00	1.00	1.00	11476.00	1.00
9,13-dihydroxy-12-ethoxy-10-octadecenoic acid	1.00	1.00	1.00	8562.00	1.00	3516.00	8462.00	8718.00	1.00	1.00	1.00	1.00	3572.00	1.00	5614.00	13690.00	17124.00	4672.00	3455.00	21807.00	6189.00	4286.00	14157.00	1.00	1.00	17117.00	1.00	1.00	4957.00	6393.00