Compound	nC18-22aug17-001	nC18-22aug17-001	nC18-22aug17-002	nC18-22aug17-002	nC18-22aug17-003	nC18-22aug17-003	nC18-22aug17-004	nC18-22aug17-004	nC18-22aug17-005	nC18-22aug17-005	nC18-22aug17-006	nC18-22aug17-006	nC18-22aug17-007	nC18-22aug17-007	nC18-22aug17-008	nC18-22aug17-008	nC18-22aug17-009	nC18-22aug17-009	nC18-22aug17-010	nC18-22aug17-010	nC18-22aug17-011	nC18-22aug17-011	nC18-22aug17-012	nC18-22aug17-012
Factors	groups:C	groups:C	groups:S	groups:S	groups:F	groups:F	groups:F	groups:F	groups:C	groups:C	groups:S	groups:S	groups:F	groups:F	groups:F	groups:F	groups:C	groups:C	groups:S	groups:S	groups:F	groups:F	groups:S	groups:S
L-Lactic acid	13200000.00	13600000.00	17800000.00	17000000.00	17400000.00	17400000.00	14300000.00	14400000.00	731321.00	639922.00	12300000.00	12400000.00	15900000.00	15800000.00	18800000.00	18900000.00	16800000.00	16500000.00	15000000.00	14900000.00	16600000.00	16300000.00	13800000.00	13700000.00
C4 H4 N2 O6 S	6643356.00	6956373.00	4084814.00	3757482.00	7398615.00	7445076.00	7611399.00	7839901.00	4218747.00	3988904.00	7006624.00	6941725.00	6842627.00	6746141.00	2812860.00	2772731.00	3938891.00	3848547.00	7844239.00	8033332.00	3974070.00	3944930.00	6241970.00	6308769.00
L-Lactic acid Esi-1.4179997	4396812.00	4378183.00	7364345.00	6412356.00	7285732.00	7294314.00	4620219.00	5046507.00	1.00	79395.00	3521645.00	3387251.00	5873983.00	5732534.00	7652702.00	8013493.00	6285270.00	6397132.00	5358730.00	5263985.00	6187123.00	6202268.00	4515934.00	4625962.00
Lactic acid	5574783.00	5578096.00	4592487.00	4535995.00	4647840.00	4634368.00	4419248.00	4332889.00	579113.00	593614.00	4093743.00	4074699.00	4323328.00	4297622.00	5934746.00	5971282.00	5055267.00	4985926.00	4007575.00	4042728.00	5753637.00	5717031.00	3013253.00	2960990.00
?-D-Glucose	7673160.00	7403561.00	5371496.00	5579380.00	6200711.00	6104831.00	5883862.00	5656282.00	641320.00	699905.00	5421033.00	5353453.00	5688147.00	5687192.00	6896038.00	6928937.00	6930442.00	6773112.00	5421386.00	5420865.00	6453386.00	6456137.00	4149270.00	3992755.00
C3 H4 N2 O5 S	5374996.00	5476559.00	2626753.00	2041294.00	5081350.00	5072589.00	5668121.00	5769660.00	3384275.00	3349269.00	4720862.00	4781235.00	4347228.00	4560867.00	1592459.00	1532629.00	1578520.00	1696974.00	5388311.00	5544322.00	2154061.00	1709445.00	3762836.00	3861134.00
Acetylenedicarboxylate	8151738.00	7649421.00	7292925.00	7985261.00	7754086.00	7741383.00	7897704.00	7788418.00	3443590.00	3472559.00	7796983.00	7651277.00	7625998.00	7597093.00	7002077.00	7115717.00	7306680.00	7332317.00	7782636.00	7756587.00	7335767.00	7106538.00	6959277.00	6798950.00
3-Hydroxy-2-naphthoate	3258258.00	3191106.00	3179209.00	5026163.00	5955479.00	6002205.00	4931652.00	3253498.00	355934.00	355836.00	2918292.00	2892289.00	5147182.00	3308837.00	4968199.00	2992963.00	2923936.00	2917576.00	3462073.00	3444141.00	3057385.00	3064212.00	2906934.00	2812752.00
C3 H Cl O2	3187450.00	3198036.00	3112287.00	3195419.00	3130335.00	3141019.00	3150246.00	3176133.00	656007.00	639485.00	3108048.00	3076632.00	3037429.00	3106917.00	2985644.00	2800627.00	2950346.00	2982732.00	3132686.00	3096726.00	2962692.00	2999128.00	2521847.00	2424366.00
?-D-Glucose Esi-0.89999974	10400000.00	10100000.00	7302707.00	7596026.00	8287916.00	8145322.00	7882654.00	7664829.00	916789.00	978027.00	7258448.00	7151235.00	7507300.00	7561580.00	9104957.00	9065753.00	9122324.00	8990174.00	7189937.00	7238525.00	8596281.00	8624934.00	5454821.00	5276728.00
cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene	2523059.00	2576705.00	1847969.00	1842517.00	1990140.00	1956199.00	1898523.00	1950275.00	256928.00	261352.00	1672550.00	1625448.00	1734218.00	1808989.00	2153606.00	2199573.00	2159043.00	2115464.00	1672765.00	1700522.00	2004327.00	2000187.00	1272526.00	1261849.00
C8 H2 N S2	707404.00	676189.00	488919.00	535244.00	761774.00	788537.00	740994.00	710413.00	546241.00	547026.00	722834.00	726925.00	700025.00	647300.00	2292220.00	2281541.00	668480.00	705982.00	1249853.00	1261216.00	644337.00	641330.00	904917.00	898255.00
Phytuberin	1759356.00	1726692.00	1698530.00	1640137.00	1727560.00	1700433.00	1707796.00	1696573.00	1626324.00	1652860.00	1600767.00	1606383.00	1515433.00	1569455.00	1570174.00	1565625.00	1582724.00	1518131.00	1541504.00	1548950.00	1477404.00	1491724.00	1513319.00	1540863.00
Threonate	1218971.00	1181195.00	1324009.00	1255910.00	1202319.00	1206239.00	1085936.00	1037444.00	37201.00	40954.00	1038944.00	1070414.00	1266584.00	1212701.00	2237285.00	2303410.00	1413360.00	1385156.00	1061213.00	1051733.00	2121611.00	2116167.00	708135.00	703496.00
C9 H4 O3	1641922.00	1611213.00	1003207.00	941235.00	1638327.00	1639711.00	1700776.00	1760538.00	1882894.00	1822039.00	1563775.00	1534975.00	1408586.00	1345678.00	675095.00	701581.00	845939.00	837179.00	1690422.00	1714661.00	1080362.00	1056396.00	1716795.00	1697527.00
C8 H2 N O S	787225.00	775376.00	1032320.00	1134860.00	1412064.00	1414597.00	1247468.00	1153866.00	172292.00	192384.00	1235466.00	1214146.00	1250175.00	1212275.00	1456896.00	1470987.00	1421835.00	1414245.00	1173374.00	1205490.00	1255641.00	1280486.00	815829.00	820053.00
D-Glutamine	1318870.00	1247108.00	1270193.00	1344607.00	1291540.00	1300404.00	1123533.00	1046791.00	120306.00	127997.00	1494408.00	1483931.00	1181768.00	1162726.00	1231148.00	1252164.00	1398621.00	1397808.00	1141471.00	1187440.00	1342872.00	1326978.00	1014228.00	1027199.00
13C6-phe	1137366.00	1198361.00	1103359.00	1043347.00	1107304.00	1115695.00	1012114.00	1057833.00	1138452.00	1094044.00	1008317.00	1012658.00	996307.00	1009393.00	1152260.00	1181109.00	1064692.00	1035776.00	945700.00	962863.00	1083145.00	1094472.00	1343555.00	1346091.00
L-Lactic acid Esi-1.4179997 :1	4396812.00	4377934.00	7412852.00	6415116.00	7377325.00	7312787.00	4623221.00	5046547.00	1.00	78591.00	3530182.00	3393368.00	5861621.00	5723273.00	7653084.00	8006097.00	6285270.00	6397132.00	5358673.00	5263985.00	6187123.00	6338772.00	4515599.00	4625962.00
L-Lyxonate	1196144.00	1176743.00	991462.00	965434.00	1015270.00	1014792.00	954187.00	930597.00	162572.00	158827.00	904271.00	896170.00	909366.00	920819.00	1111805.00	1097877.00	1058998.00	1035348.00	893773.00	878314.00	1125080.00	1124335.00	743292.00	738418.00
1,2,3-Trichlorobenzene	832832.00	871595.00	990544.00	1005930.00	945777.00	897012.00	926069.00	989985.00	72393.00	67424.00	1000703.00	1052966.00	1072074.00	1097518.00	992127.00	966416.00	1069680.00	1020517.00	991395.00	986646.00	960754.00	887309.00	973236.00	900314.00
Acetylenedicarboxylate Esi-1.2229997	978001.00	976638.00	266493.00	276876.00	444785.00	449623.00	1.00	1.00	1.00	45351.00	298684.00	287059.00	404184.00	418390.00	299221.00	271362.00	496430.00	513636.00	389185.00	390044.00	251604.00	239363.00	298278.00	354283.00
C5 H4 O7 S2	758253.00	782581.00	744007.00	716611.00	695896.00	707009.00	708890.00	757410.00	189763.00	183525.00	696663.00	712309.00	692989.00	675245.00	656784.00	691760.00	671096.00	665784.00	706165.00	704383.00	676110.00	678992.00	630347.00	627273.00
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol	664558.00	639994.00	626996.00	609331.00	617371.00	628541.00	606018.00	618752.00	606390.00	631770.00	582550.00	581303.00	605718.00	593204.00	578368.00	596694.00	570300.00	565013.00	603880.00	607750.00	587985.00	607481.00	624302.00	612413.00
C12 H26 N7 O7 S	466585.00	473435.00	460036.00	408288.00	493314.00	499676.00	485996.00	471074.00	574613.00	522787.00	491877.00	486207.00	474987.00	478751.00	518395.00	492265.00	441357.00	456831.00	443107.00	442893.00	493000.00	476404.00	607492.00	609368.00
C9 H2 N2 O2 S4	601719.00	573183.00	580302.00	585021.00	614914.00	616264.00	605459.00	575383.00	86134.00	84073.00	600801.00	608444.00	598627.00	588584.00	580009.00	589077.00	586418.00	571164.00	606301.00	613310.00	576857.00	590181.00	515309.00	516002.00
C5 H5 Cl N2 S5	591615.00	574745.00	568472.00	582932.00	582656.00	597306.00	586548.00	585232.00	50216.00	50707.00	589655.00	588542.00	582024.00	580990.00	574668.00	572972.00	570913.00	572482.00	590756.00	579009.00	567506.00	584541.00	464694.00	459676.00
Nabam	187553.00	1.00	423945.00	885448.00	214355.00	1.00	1.00	1.00	859169.00	888529.00	1.00	223006.00	233081.00	227939.00	855842.00	851501.00	982974.00	929222.00	201351.00	1.00	973287.00	959450.00	848667.00	860052.00
C8 H4 O9 S2	560739.00	556670.00	525317.00	529918.00	544012.00	551625.00	548296.00	548146.00	131718.00	132260.00	547699.00	539015.00	532202.00	526046.00	503769.00	487457.00	507753.00	503947.00	547444.00	543490.00	510645.00	521012.00	459691.00	464826.00
4-Pentenoic acid, 3-oxo-	576768.00	593857.00	411423.00	424573.00	441087.00	488899.00	448782.00	447376.00	132335.00	135480.00	402116.00	390275.00	393552.00	414253.00	500674.00	492430.00	504340.00	447001.00	448893.00	397447.00	437408.00	479347.00	291798.00	304244.00
C3 H6 N2 O3 S2	601601.00	572423.00	568581.00	567016.00	575855.00	563331.00	574499.00	531315.00	299325.00	302807.00	582422.00	569031.00	586087.00	579432.00	545867.00	550355.00	558133.00	555566.00	582805.00	587867.00	578294.00	555220.00	551799.00	554762.00
cis-1,2-Dihydroxy-1,2-dihydro-8-carboxynaphthalene	442998.00	455262.00	276687.00	290548.00	347126.00	327436.00	321819.00	341748.00	13213.00	11095.00	217241.00	273160.00	211411.00	275780.00	319338.00	316825.00	324334.00	318693.00	233764.00	280374.00	316149.00	312312.00	171393.00	147231.00
C15 H39 N9 O10 S	331888.00	318430.00	296937.00	298936.00	337719.00	341376.00	318528.00	313349.00	395020.00	409817.00	295229.00	294765.00	289947.00	285785.00	315291.00	312665.00	264669.00	279113.00	263590.00	262685.00	299912.00	310232.00	413094.00	414525.00
C5 H Cl3 O3 S2	392641.00	423808.00	448919.00	425303.00	419058.00	424181.00	420222.00	444760.00	24448.00	23888.00	413974.00	417553.00	410257.00	413471.00	419551.00	436979.00	423348.00	416547.00	404154.00	397885.00	421601.00	420664.00	318141.00	329170.00
1,2,3-Trichlorobenzene Esi-1.3409997	832561.00	870521.00	989236.00	1004828.00	944716.00	896729.00	926069.00	988262.00	1.00	1.00	998576.00	1050676.00	1069293.00	1108394.00	992621.00	965178.00	1067054.00	1018366.00	982465.00	983750.00	959110.00	887309.00	971600.00	898757.00
C4 H4 Cl2 N2 O2 S	68337.00	64041.00	156358.00	153394.00	151623.00	147437.00	122557.00	110712.00	1.00	1.00	109896.00	117182.00	118605.00	114667.00	318906.00	302566.00	225142.00	227662.00	112330.00	111936.00	201384.00	201869.00	60089.00	60490.00
C3 H4 O2	330375.00	329059.00	247364.00	246100.00	248198.00	245877.00	250348.00	254262.00	39046.00	37866.00	217717.00	225803.00	232741.00	238768.00	277296.00	282793.00	277568.00	263801.00	220584.00	218797.00	257901.00	265670.00	171262.00	162586.00
C5 H Cl N2 S	187322.00	184101.00	81922.00	83629.00	181720.00	175658.00	177865.00	183504.00	99399.00	99656.00	171316.00	164066.00	157271.00	159259.00	77571.00	73642.00	89212.00	85198.00	199093.00	191620.00	109934.00	111886.00	148024.00	140126.00
Alpha-D-Fucose	191361.00	183160.00	331171.00	315360.00	204197.00	198375.00	219265.00	217277.00	9916.00	9574.00	212949.00	211246.00	181220.00	184191.00	367449.00	367883.00	307942.00	315681.00	169696.00	169666.00	338377.00	336967.00	128933.00	129885.00
4,4'-Sulfonyldiphenol	143353.00	146313.00	64278.00	60670.00	167231.00	164089.00	170854.00	181544.00	373607.00	333379.00	162731.00	149290.00	123567.00	123207.00	13739.00	13490.00	49440.00	48005.00	187948.00	186684.00	39644.00	69690.00	218130.00	210097.00
C9 H2 N2 O5 S	701360.00	772113.00	714342.00	684389.00	674825.00	678999.00	696439.00	728127.00	375590.00	340879.00	671231.00	673762.00	659781.00	663889.00	630172.00	652671.00	637714.00	635404.00	721463.00	700767.00	648398.00	659262.00	661779.00	647672.00
2-methyl-3-oxo-propanoic acid	403302.00	417694.00	299835.00	290708.00	295204.00	307575.00	302198.00	315095.00	47023.00	45521.00	263939.00	257993.00	260678.00	256226.00	322798.00	328168.00	330915.00	315801.00	265910.00	243330.00	316695.00	317483.00	183496.00	178911.00
Pantothenic Acid	206369.00	220396.00	299124.00	288484.00	274228.00	284358.00	207824.00	226960.00	1.00	1.00	168439.00	167687.00	217925.00	216330.00	318978.00	317632.00	275039.00	281128.00	178903.00	181833.00	306783.00	300822.00	141727.00	140528.00
C8 H4 N O7 S2	64321.00	69144.00	69794.00	71982.00	121858.00	120258.00	97380.00	100904.00	18770.00	21328.00	90565.00	94596.00	83860.00	92089.00	306890.00	301518.00	96590.00	99764.00	143191.00	142474.00	88298.00	90773.00	77708.00	77010.00
L-Glyceric acid	473295.00	467055.00	314781.00	312735.00	385824.00	389122.00	387605.00	358482.00	297119.00	308037.00	367287.00	358124.00	357800.00	360084.00	372081.00	376430.00	311738.00	314492.00	382450.00	378471.00	340999.00	344933.00	370535.00	353330.00
Neoilludin A	227842.00	222616.00	130218.00	128993.00	213624.00	222905.00	103983.00	104776.00	319648.00	324886.00	106677.00	102342.00	157742.00	152757.00	131193.00	130089.00	201934.00	205933.00	119150.00	119867.00	171091.00	179828.00	133176.00	141861.00
C3 H4 O3	173812.00	217546.00	256941.00	263061.00	212639.00	222099.00	183661.00	130357.00	38844.00	672088.00	115111.00	253413.00	161771.00	219215.00	238895.00	302543.00	266566.00	268321.00	179327.00	129614.00	203852.00	224712.00	189232.00	189001.00
Pyruvic acid	52052.00	54004.00	211504.00	196427.00	171600.00	173504.00	125980.00	130642.00	9105.00	1.00	88990.00	84924.00	129465.00	129706.00	193008.00	187680.00	186807.00	186127.00	118192.00	116525.00	154755.00	153539.00	120467.00	121651.00
C4 H6 N6 O4	248494.00	438501.00	346922.00	325013.00	335023.00	343615.00	278463.00	264880.00	36858.00	37829.00	235882.00	237480.00	305136.00	298176.00	334001.00	351315.00	309517.00	314968.00	285003.00	277445.00	319827.00	310647.00	262021.00	258494.00
C5 H2 N O2 S2	325186.00	320941.00	290413.00	298318.00	303460.00	311843.00	308755.00	310550.00	64949.00	67447.00	301963.00	305364.00	290554.00	297869.00	284342.00	271846.00	283287.00	287638.00	309577.00	316286.00	282101.00	292662.00	248671.00	247892.00
C8 N O2 S	295346.00	305359.00	92848.00	97036.00	254234.00	244056.00	277425.00	286022.00	311248.00	299382.00	259622.00	251349.00	203566.00	211191.00	56775.00	63237.00	88122.00	91054.00	269778.00	274081.00	110490.00	111662.00	237313.00	224055.00
C4 H4 S3	22489.00	29434.00	38883.00	69428.00	36120.00	40497.00	30103.00	43743.00	29888.00	136791.00	21665.00	32963.00	11084.00	116834.00	34571.00	66296.00	26568.00	32366.00	14448.00	116367.00	56823.00	38955.00	27113.00	42010.00
Alloxydim	201123.00	203198.00	150737.00	148286.00	162060.00	167566.00	163243.00	175442.00	187613.00	181797.00	18614.00	16521.00	18624.00	21085.00	154214.00	157068.00	176957.00	177160.00	147613.00	155497.00	1.00	1.00	186151.00	182625.00
C3 H4 N6 O2 S	113188.00	120113.00	51847.00	54581.00	147171.00	137239.00	152332.00	150698.00	314144.00	308550.00	128127.00	136504.00	107550.00	108627.00	25348.00	17218.00	43902.00	47760.00	163307.00	167665.00	62022.00	63594.00	186161.00	192158.00
C5 H2 N3 O S	292974.00	266705.00	122323.00	133524.00	264002.00	252085.00	292032.00	302793.00	165093.00	177250.00	207863.00	266389.00	204092.00	222395.00	86513.00	69219.00	110451.00	119185.00	267650.00	278848.00	123319.00	117825.00	190404.00	191986.00
HC Yellow No. 4	263192.00	268884.00	206267.00	190637.00	178064.00	188910.00	124048.00	124043.00	13916.00	14001.00	129515.00	126718.00	127085.00	130539.00	115102.00	117684.00	177768.00	181266.00	158590.00	160809.00	133928.00	136279.00	94958.00	99155.00
C3 H6 N2 O3 S2 Esi-0.8449999	602264.00	573617.00	568927.00	558078.00	575164.00	568709.00	566808.00	538536.00	299033.00	294734.00	582980.00	569031.00	582905.00	579198.00	548039.00	550180.00	558595.00	555566.00	597008.00	587903.00	570230.00	554926.00	546768.00	542396.00
(S)-ACPA	268818.00	281555.00	279852.00	276098.00	252064.00	250870.00	220721.00	245595.00	25386.00	25909.00	286122.00	292157.00	218880.00	227260.00	218273.00	224243.00	237322.00	234790.00	236706.00	238496.00	231593.00	232627.00	190280.00	195185.00
C9 H4 N O10 S	409895.00	386739.00	351876.00	366119.00	383328.00	385345.00	392317.00	372445.00	177393.00	186669.00	383197.00	387505.00	371665.00	365935.00	349707.00	354603.00	356082.00	346684.00	403763.00	399035.00	352692.00	366671.00	368936.00	364523.00
C8 N2 O9 S2	284464.00	277703.00	267379.00	269433.00	287024.00	293523.00	285144.00	285026.00	50580.00	49279.00	280149.00	284818.00	276113.00	279966.00	260008.00	252249.00	259463.00	255769.00	285852.00	283786.00	261621.00	266542.00	236160.00	232635.00
C8 H2 Cl2 N5 O2 S3	256035.00	252127.00	248029.00	251809.00	266501.00	266120.00	259794.00	263211.00	37545.00	36326.00	255586.00	261039.00	245650.00	251286.00	230045.00	229241.00	231008.00	238778.00	260010.00	254519.00	238787.00	238691.00	212568.00	214654.00
4-Hydroxyethinylestradiol	288606.00	318035.00	286094.00	314214.00	328016.00	319750.00	311225.00	297621.00	294934.00	325716.00	336286.00	322025.00	318941.00	328644.00	343911.00	325140.00	323173.00	331790.00	359063.00	363112.00	337802.00	314839.00	334804.00	335051.00
Isosakuranetin 5-O-glucoside	54618.00	56662.00	192367.00	194548.00	115016.00	115325.00	158668.00	152524.00	47345.00	49311.00	223212.00	222770.00	112328.00	115262.00	88551.00	92064.00	125582.00	125710.00	123375.00	128047.00	175213.00	166146.00	62383.00	60889.00
2-Chloro-3-oxoadipate	160118.00	166233.00	78264.00	78402.00	167552.00	162471.00	182955.00	180608.00	113267.00	105045.00	149784.00	160181.00	187720.00	200313.00	184480.00	54700.00	92283.00	104383.00	256692.00	266278.00	108682.00	109375.00	191082.00	215173.00
Dimethyl sulfate	247194.00	262907.00	271423.00	243989.00	280372.00	283976.00	233671.00	243196.00	14358.00	11983.00	242003.00	236544.00	235959.00	234667.00	291258.00	289311.00	219609.00	223364.00	226395.00	236407.00	256368.00	246294.00	230198.00	234801.00
C5 H12 N5 O5	112467.00	107833.00	136959.00	142848.00	115739.00	110367.00	178934.00	171921.00	8895.00	10536.00	222511.00	221479.00	155287.00	156116.00	184308.00	180209.00	210509.00	207039.00	237997.00	234302.00	296774.00	301542.00	219871.00	220116.00
C3 H2 N O4	197867.00	201315.00	210509.00	213211.00	252221.00	259793.00	240149.00	252155.00	63225.00	65581.00	228519.00	228713.00	229863.00	221261.00	229032.00	224782.00	227037.00	225919.00	233847.00	238691.00	215365.00	211447.00	169002.00	170880.00
C8 H4 N O6 S3	30489.00	34319.00	43942.00	58450.00	45067.00	47311.00	39264.00	42677.00	22052.00	20961.00	34065.00	41088.00	37053.00	40055.00	234139.00	242211.00	61700.00	67081.00	73884.00	79704.00	60143.00	63929.00	47319.00	52246.00
C3 H2 N3 O S3	42994.00	32364.00	75947.00	50155.00	16382.00	20632.00	62071.00	32265.00	31515.00	31337.00	14947.00	73249.00	20197.00	46257.00	35850.00	39249.00	15869.00	21866.00	9049.00	97353.00	17075.00	30338.00	39223.00	51251.00
C22 H52 N12 O12 S	169085.00	163541.00	145832.00	171111.00	169385.00	176393.00	149871.00	144583.00	189530.00	228186.00	127498.00	135567.00	130087.00	128979.00	148756.00	146964.00	129193.00	134254.00	113825.00	114919.00	142803.00	149021.00	229211.00	222205.00
C3 H4 O3 Esi-1.021	206576.00	209531.00	254966.00	264300.00	162499.00	219493.00	184133.00	103364.00	30242.00	67814.00	119954.00	176484.00	162939.00	220283.00	258977.00	324984.00	273910.00	286104.00	131200.00	174816.00	253605.00	368189.00	103022.00	107780.00
C11 H13 N O5	245779.00	257611.00	258557.00	213794.00	216654.00	214728.00	209613.00	219908.00	231844.00	222959.00	194989.00	188100.00	185630.00	189621.00	180455.00	202759.00	187733.00	188638.00	179162.00	190875.00	187710.00	198822.00	214035.00	217489.00
Neoilludin A Esi-6.210999	156322.00	145316.00	92752.00	91149.00	147057.00	148130.00	60705.00	62948.00	221150.00	234646.00	72163.00	75166.00	93770.00	97371.00	83570.00	84914.00	129400.00	134202.00	81132.00	84694.00	110748.00	123139.00	90006.00	91415.00
C5 H6 O5 S3	254605.00	249343.00	226897.00	239874.00	241899.00	248534.00	250009.00	238532.00	57011.00	57898.00	239264.00	246263.00	242952.00	238702.00	234072.00	231689.00	231736.00	233164.00	254368.00	252658.00	237411.00	239959.00	212499.00	211905.00
Pregna-4,16-diene-3,11,20-trione	202127.00	274661.00	294416.00	276191.00	293607.00	209720.00	197593.00	208276.00	298705.00	290172.00	183619.00	312958.00	270957.00	255414.00	180045.00	217980.00	277480.00	270971.00	288754.00	236961.00	289306.00	208560.00	313636.00	278801.00
NS-5	216710.00	238431.00	218472.00	215838.00	219965.00	233174.00	219096.00	220333.00	206380.00	216913.00	213863.00	192980.00	210784.00	210838.00	204098.00	205050.00	206975.00	200201.00	206399.00	199331.00	209678.00	211877.00	213733.00	227554.00
C3 H2 N4 O4 S	48060.00	49230.00	39045.00	38684.00	61123.00	61445.00	57471.00	57135.00	43218.00	49475.00	57307.00	54067.00	70282.00	68620.00	206557.00	227635.00	74705.00	76354.00	124865.00	124788.00	83041.00	81499.00	91214.00	100117.00
C6 H3 Cl N4 O2 S5	209303.00	214464.00	200922.00	208703.00	210195.00	209205.00	208504.00	215676.00	19552.00	21176.00	211848.00	204163.00	203867.00	205117.00	185180.00	192691.00	194105.00	193850.00	206626.00	205478.00	188188.00	186858.00	164095.00	159167.00
2-Dehydro-3-deoxy-D-xylonate	67716.00	78124.00	121749.00	123862.00	248551.00	251551.00	140330.00	130089.00	1.00	1.00	92273.00	104361.00	188340.00	164271.00	266330.00	246721.00	130543.00	123432.00	134864.00	127758.00	136897.00	134035.00	88370.00	77368.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate	157237.00	146648.00	91311.00	94653.00	153836.00	158466.00	82331.00	79538.00	177439.00	182212.00	97566.00	96759.00	113044.00	113357.00	108020.00	106752.00	145942.00	145915.00	95473.00	91864.00	122414.00	115856.00	91876.00	91029.00
C4 H6 N6 O4 Esi-1.427	227938.00	1.00	281680.00	274312.00	267918.00	276281.00	217334.00	203304.00	1.00	1.00	177079.00	180040.00	225257.00	218236.00	235327.00	244771.00	243441.00	230663.00	202769.00	208028.00	219191.00	220155.00	227903.00	210435.00
Phytuberin Esi-10.084	142940.00	154069.00	162109.00	149094.00	161204.00	153717.00	154868.00	171622.00	145240.00	143761.00	140532.00	156461.00	139239.00	129296.00	153499.00	134493.00	140801.00	151726.00	140717.00	146600.00	142657.00	139832.00	150630.00	141918.00
C39 H77 O	159221.00	160166.00	187995.00	196519.00	181286.00	180524.00	188787.00	179914.00	1.00	1.00	180808.00	178476.00	183807.00	185232.00	192664.00	199462.00	199477.00	196612.00	166166.00	163765.00	188070.00	191057.00	127319.00	130514.00
C4 H4 N O4 S	112178.00	115111.00	154355.00	153417.00	190212.00	189477.00	162708.00	159497.00	29286.00	27293.00	165258.00	161252.00	166938.00	161360.00	194254.00	203887.00	185905.00	187025.00	161497.00	160287.00	177299.00	170423.00	117790.00	118973.00
Alanine	171368.00	167049.00	120684.00	128255.00	139380.00	141039.00	138524.00	130713.00	20931.00	22075.00	107581.00	106016.00	115883.00	117299.00	211006.00	206550.00	159264.00	158599.00	155933.00	163872.00	153073.00	152860.00	97482.00	96909.00
C3 H3 Cl3 O6 S2	100756.00	96485.00	91104.00	93857.00	95740.00	92070.00	102959.00	94218.00	16360.00	15695.00	100143.00	98959.00	90719.00	96573.00	88637.00	87500.00	87897.00	92113.00	98955.00	99404.00	93238.00	89944.00	75277.00	75460.00
C7 H2	196296.00	102070.00	48062.00	85133.00	141679.00	78352.00	57525.00	115291.00	33728.00	34710.00	53837.00	52175.00	98241.00	56721.00	73299.00	72818.00	39891.00	3809114.00	59851.00	81232.00	146091.00	42005.00	6196639.00	26785.00
C11 H2 O7 S2	190585.00	193355.00	177478.00	186786.00	185353.00	183926.00	188281.00	190051.00	42885.00	47482.00	186454.00	187951.00	182395.00	181852.00	181479.00	171845.00	168695.00	171072.00	187523.00	191067.00	175083.00	177738.00	157389.00	157036.00
C11 Cl2 O S4	163492.00	162506.00	163557.00	150540.00	156311.00	159245.00	167570.00	166900.00	12547.00	10296.00	155987.00	151639.00	155562.00	163304.00	152493.00	150192.00	147364.00	146627.00	152538.00	153329.00	150898.00	149427.00	122288.00	126350.00
C32 H21 N8 O27 S	94109.00	89294.00	93012.00	83709.00	511626.00	89249.00	90216.00	92854.00	92118.00	90297.00	498897.00	91629.00	177935.00	91363.00	82324.00	177101.00	90526.00	144057.00	152850.00	158411.00	162917.00	86459.00	90912.00	88245.00
Ayapin	188618.00	182397.00	92669.00	99098.00	191021.00	187385.00	190602.00	173145.00	1.00	1.00	157050.00	149298.00	146242.00	143167.00	106698.00	105869.00	87220.00	81876.00	137947.00	136544.00	166536.00	179586.00	77255.00	41638.00
Pyroglutamic acid	150407.00	148429.00	130100.00	133702.00	145940.00	139211.00	121058.00	119850.00	36231.00	35718.00	191500.00	181979.00	132728.00	133607.00	125413.00	119367.00	145853.00	145366.00	113319.00	112218.00	99980.00	98390.00	68551.00	62740.00
C7 H2 N O2 S5	182713.00	192044.00	183785.00	185666.00	188768.00	187477.00	186605.00	186474.00	19159.00	19461.00	179138.00	186820.00	183407.00	186912.00	180141.00	167551.00	173669.00	177096.00	188181.00	179863.00	175845.00	185045.00	142073.00	142240.00
C12 H Cl3 O8 S3	169671.00	169389.00	175981.00	185175.00	182508.00	186553.00	182333.00	176162.00	6641.00	6656.00	173377.00	178156.00	185512.00	182618.00	173213.00	168800.00	169662.00	166729.00	177381.00	175473.00	171927.00	176079.00	132318.00	135129.00
3-oxo-4-methyl-pentanoic acid	134480.00	123870.00	109255.00	103861.00	137506.00	138047.00	104101.00	102258.00	37228.00	1.00	108961.00	117055.00	111623.00	114036.00	163865.00	165702.00	191598.00	192692.00	133611.00	129566.00	151990.00	158974.00	122100.00	108184.00
C16 H15 N2 O15 S	308364.00	321077.00	306705.00	307816.00	303987.00	256021.00	310601.00	316387.00	307950.00	307519.00	300009.00	305025.00	307889.00	305020.00	295299.00	306436.00	313734.00	249078.00	302747.00	307092.00	303450.00	298296.00	299613.00	303597.00
C16 H22 N9 O	189407.00	172902.00	181465.00	163837.00	177453.00	186028.00	171879.00	172736.00	183768.00	167757.00	183685.00	182206.00	186757.00	177997.00	181958.00	181470.00	170749.00	166850.00	178715.00	173144.00	174176.00	167196.00	171023.00	183179.00
C32 H21 N8 O27 S Esi-1.5719998	65149.00	70715.00	67912.00	67424.00	65273.00	69272.00	88643.00	96321.00	74402.00	72306.00	97597.00	94831.00	113023.00	76868.00	71756.00	120750.00	74678.00	97796.00	78154.00	109169.00	103265.00	76440.00	75085.00	75873.00
C3 H2 N2 O5 S	200140.00	197379.00	138217.00	140395.00	208202.00	208153.00	191070.00	193852.00	16475.00	15242.00	181914.00	181306.00	202797.00	209380.00	137346.00	120240.00	130710.00	128805.00	200048.00	196118.00	188261.00	199592.00	139242.00	129818.00
C19 H3 Cl3 N4 O10 S	176280.00	175434.00	167210.00	166966.00	179203.00	181895.00	175917.00	179640.00	15645.00	16241.00	187007.00	188190.00	178433.00	174711.00	158435.00	165096.00	163666.00	166625.00	184718.00	184910.00	177200.00	175347.00	157475.00	160138.00
4-Hydroxybenzenesulfonic acid	65447.00	71237.00	100628.00	91353.00	113816.00	117030.00	105461.00	112389.00	17806.00	16316.00	93073.00	96526.00	118621.00	130056.00	141948.00	142128.00	147374.00	153943.00	141535.00	139804.00	147740.00	164179.00	90614.00	96160.00
C26 H42 N10 O10	8138.00	8772.00	174695.00	175923.00	76713.00	71534.00	54905.00	54349.00	18797.00	18504.00	82640.00	80017.00	16586.00	16391.00	1.00	1.00	54862.00	53801.00	12473.00	12685.00	36897.00	31884.00	10275.00	10321.00
C13 H2 O4	173394.00	188192.00	112290.00	109367.00	202682.00	204642.00	214852.00	205499.00	109560.00	101361.00	184254.00	198912.00	220296.00	233719.00	93396.00	100091.00	139036.00	140839.00	289201.00	281645.00	175864.00	176580.00	229053.00	239982.00
C9 Cl2 N O8 S3	159137.00	156426.00	168660.00	154519.00	161973.00	156346.00	161079.00	170508.00	9650.00	11065.00	159151.00	165339.00	154359.00	160275.00	155972.00	148129.00	152563.00	156618.00	160535.00	161021.00	157140.00	157000.00	126111.00	126084.00
3-hydroxy-3-methyl-Glutaric acid	309401.00	308144.00	211656.00	209451.00	214252.00	226881.00	217808.00	226506.00	36684.00	35259.00	192657.00	181301.00	182848.00	182753.00	234699.00	232289.00	241448.00	231859.00	189399.00	151836.00	211789.00	238410.00	125132.00	119653.00
C11 H3 Cl3 N O9 S4	171503.00	169582.00	163789.00	161005.00	168306.00	169576.00	167529.00	173054.00	22525.00	22960.00	166674.00	169226.00	163377.00	163332.00	153238.00	157263.00	158661.00	153003.00	173754.00	170064.00	162385.00	159911.00	148973.00	148185.00
N-Formyl-L-glutamate	168211.00	165344.00	7847.00	7261.00	12445.00	12426.00	9904.00	11072.00	35420.00	36273.00	1.00	1.00	1.00	1.00	17605.00	17477.00	13586.00	12437.00	12674.00	9823.00	7913.00	7644.00	7356.00	6749.00
C11 H11 Cl3 O S5	165885.00	156521.00	156239.00	158842.00	166433.00	166138.00	165840.00	164086.00	15771.00	15619.00	162030.00	160223.00	156621.00	161466.00	146276.00	141116.00	152901.00	154082.00	158695.00	160892.00	151584.00	153559.00	124293.00	130084.00
C6 H Cl O7 S4	167455.00	163063.00	160403.00	167304.00	169262.00	172878.00	169362.00	170005.00	11232.00	9174.00	169583.00	173545.00	168707.00	171921.00	168980.00	164437.00	162459.00	165535.00	164657.00	169373.00	167825.00	172697.00	130774.00	128420.00
C5 H2 N2 O5	110877.00	116573.00	104736.00	96650.00	53082.00	50467.00	60616.00	61638.00	55552.00	54664.00	55817.00	56930.00	50188.00	52117.00	53872.00	55541.00	99320.00	107016.00	163286.00	158592.00	182251.00	186145.00	143339.00	141581.00
Trinexapac-ethyl	138402.00	128319.00	125017.00	122818.00	133348.00	139141.00	125911.00	119031.00	134134.00	132766.00	115924.00	128863.00	130226.00	113088.00	113370.00	124207.00	108685.00	117242.00	122304.00	120687.00	124992.00	131104.00	132375.00	125310.00
Lauryl hydrogen sulfate	93858.00	92349.00	78260.00	82157.00	84334.00	83559.00	92571.00	91923.00	96404.00	98436.00	124502.00	114856.00	92803.00	91636.00	119987.00	114400.00	151133.00	154300.00	85154.00	86303.00	89114.00	85532.00	90747.00	93904.00
C13 H5 Cl3 N O7 S5	156383.00	152979.00	133652.00	136969.00	155831.00	158353.00	157503.00	154218.00	23160.00	24287.00	152487.00	153164.00	143733.00	146793.00	129461.00	122784.00	135178.00	123217.00	153818.00	154560.00	135723.00	137594.00	122670.00	124170.00
C13 H Cl N3 O2 S5	156370.00	149648.00	149320.00	153027.00	160527.00	163503.00	161642.00	161843.00	14233.00	14945.00	157560.00	160887.00	157696.00	160043.00	150469.00	152301.00	152598.00	145481.00	161327.00	159812.00	156403.00	150308.00	132879.00	134931.00
Trp Met Ser	99827.00	101096.00	97147.00	96329.00	134382.00	129934.00	80798.00	83805.00	124130.00	129126.00	104551.00	102632.00	121358.00	117386.00	104454.00	104925.00	124544.00	121027.00	89939.00	93725.00	119722.00	119538.00	103357.00	103207.00
C14 H29 N4 O10	144600.00	128509.00	94727.00	109384.00	95280.00	95049.00	62861.00	58241.00	8208.00	9776.00	57463.00	59404.00	59499.00	56754.00	60532.00	56988.00	84354.00	84350.00	65104.00	67395.00	64474.00	67996.00	64357.00	62433.00
Gingerenone A	209937.00	219640.00	203192.00	217161.00	182783.00	191261.00	168172.00	157630.00	143948.00	161176.00	120752.00	122637.00	123880.00	107755.00	141529.00	137101.00	122285.00	104397.00	108487.00	103157.00	97487.00	101383.00	96749.00	107519.00
4-Hydroxyethinylestradiol Esi-10.647002	117761.00	140442.00	109266.00	137145.00	145080.00	149915.00	133345.00	130341.00	119997.00	148368.00	149479.00	107639.00	121775.00	141833.00	152676.00	153436.00	138321.00	107471.00	148761.00	158310.00	145643.00	120772.00	147578.00	121058.00
C3 Cl3 N S	88030.00	97691.00	53420.00	99603.00	66185.00	121815.00	73930.00	136811.00	38941.00	40281.00	132704.00	151979.00	142888.00	153209.00	39176.00	40990.00	66592.00	114692.00	132406.00	159492.00	96317.00	45740.00	177479.00	182650.00
Citric acid	85770.00	1.00	123767.00	109060.00	77972.00	189636.00	167247.00	171642.00	1.00	1.00	168862.00	161222.00	162442.00	159769.00	71192.00	82526.00	1.00	1.00	163845.00	188991.00	212956.00	229804.00	87407.00	85064.00
1,2,3,4,7,8,9-Heptachlorodibenzofuran	130641.00	128090.00	132907.00	138932.00	132263.00	137477.00	139895.00	134149.00	5813.00	1.00	132719.00	141278.00	131409.00	136862.00	134595.00	133034.00	139974.00	135127.00	135111.00	130240.00	142343.00	138899.00	103029.00	103724.00
C5 H4 N2	122647.00	125261.00	159702.00	137715.00	191126.00	202614.00	146385.00	127778.00	28389.00	32056.00	107140.00	103915.00	164455.00	129260.00	226182.00	161932.00	143198.00	145192.00	126630.00	132976.00	136777.00	130840.00	108455.00	108061.00
C12 H3 Cl3 N3 O2 S2	155252.00	161373.00	143293.00	149508.00	165267.00	166895.00	161066.00	160549.00	21164.00	21354.00	163773.00	163461.00	155371.00	156616.00	184741.00	185454.00	149576.00	148264.00	170281.00	169971.00	154371.00	160080.00	143807.00	138701.00
[6]-Shogaol	129157.00	126141.00	129174.00	129296.00	135499.00	133344.00	131294.00	122674.00	125620.00	132145.00	120031.00	122294.00	125872.00	116743.00	114129.00	112470.00	116319.00	115713.00	117315.00	123098.00	118185.00	117883.00	125691.00	119144.00
C15 H12 Cl2 N O2 S5	148106.00	149209.00	140568.00	137453.00	148786.00	147128.00	147394.00	148844.00	21063.00	23284.00	147814.00	145101.00	141349.00	140047.00	130129.00	130282.00	130810.00	130439.00	151045.00	148721.00	139621.00	136708.00	124841.00	126469.00
C8 H2 N O10 S3	171165.00	170699.00	166106.00	170430.00	179121.00	181636.00	171685.00	171462.00	24726.00	24782.00	171353.00	176224.00	163291.00	172146.00	161575.00	158010.00	160229.00	158352.00	174698.00	169035.00	156883.00	167494.00	145322.00	141368.00
C29 H63 N8 O17	110458.00	107293.00	137999.00	137151.00	132323.00	135338.00	122825.00	125205.00	1.00	1.00	126288.00	130158.00	134923.00	133871.00	141324.00	144396.00	145086.00	138709.00	110274.00	116790.00	136450.00	136891.00	94230.00	94993.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate Esi-10.5390005	154192.00	146091.00	70462.00	81379.00	153753.00	153225.00	66129.00	70880.00	134859.00	141879.00	79760.00	90444.00	90690.00	77823.00	81065.00	78378.00	114299.00	113528.00	77326.00	78846.00	96481.00	92792.00	63599.00	59273.00
Orthothymotinic Acid	134786.00	133406.00	132898.00	131335.00	131540.00	114584.00	129250.00	118995.00	135011.00	129933.00	119271.00	116677.00	127872.00	123286.00	115339.00	118103.00	123817.00	107630.00	127697.00	122228.00	126209.00	125045.00	121241.00	125117.00
Doisynoestrol	135498.00	137754.00	131917.00	124158.00	131424.00	130478.00	134440.00	132778.00	138092.00	117762.00	139375.00	130540.00	126998.00	134294.00	140769.00	136006.00	133515.00	123252.00	133646.00	136445.00	127406.00	114446.00	130264.00	136912.00
1,2,3,4,6,7,8-Heptachlorodibenzodioxin	134575.00	129057.00	126925.00	130241.00	140609.00	140016.00	140316.00	137553.00	9682.00	11139.00	138744.00	141704.00	141433.00	135184.00	123803.00	125833.00	129757.00	127814.00	136238.00	139673.00	136583.00	137588.00	109696.00	106308.00
Aspulvinone H	86490.00	85539.00	83372.00	83267.00	116076.00	115722.00	71265.00	69206.00	109069.00	112972.00	91896.00	97212.00	107162.00	108693.00	95265.00	92499.00	107782.00	109781.00	81256.00	76328.00	106489.00	106569.00	88460.00	91314.00
C25 H46 N7 O3	149477.00	161840.00	157354.00	158851.00	151676.00	150684.00	97647.00	121710.00	149843.00	95994.00	132828.00	124984.00	192516.00	138188.00	93644.00	169574.00	163630.00	144078.00	193052.00	140788.00	141592.00	204756.00	148465.00	137167.00
C6 H Cl3 N2 O7 S3	129598.00	129698.00	120978.00	122382.00	121618.00	124132.00	124215.00	131292.00	10325.00	10797.00	123277.00	125256.00	119667.00	124761.00	109729.00	112546.00	116495.00	111774.00	123642.00	121475.00	116625.00	115416.00	99783.00	98807.00
Thyrotropin releasing hormone	116849.00	110543.00	102174.00	109334.00	115994.00	117607.00	111395.00	112575.00	99606.00	112973.00	102204.00	96950.00	95308.00	92549.00	88350.00	91784.00	92378.00	98485.00	93772.00	105468.00	94541.00	110007.00	106644.00	108547.00
C6 H2 N4 O3 S	115794.00	112373.00	68217.00	71308.00	133117.00	130692.00	129451.00	126076.00	67830.00	74905.00	125087.00	120171.00	115251.00	118297.00	69511.00	66377.00	74577.00	72200.00	133584.00	140256.00	71739.00	83323.00	108060.00	106776.00
C3 H4 N2 O4 S	92123.00	84192.00	61739.00	63200.00	123485.00	125182.00	119367.00	116610.00	28568.00	27263.00	106449.00	109761.00	108686.00	106655.00	47166.00	48223.00	65632.00	66239.00	123459.00	132451.00	75948.00	74079.00	92233.00	89099.00
C3 H3 Cl N2 O2	12434.00	12006.00	14171.00	14015.00	24364.00	23691.00	18920.00	19773.00	1.00	1.00	17835.00	16706.00	20807.00	21435.00	59898.00	63659.00	26094.00	23649.00	34278.00	34678.00	23241.00	23236.00	19759.00	20529.00
C39 H44 N O8	7201.00	7965.00	135567.00	134116.00	50176.00	50571.00	52581.00	49388.00	12675.00	12592.00	83845.00	82063.00	14899.00	17133.00	1.00	1.00	38713.00	36325.00	13802.00	14385.00	29092.00	30862.00	6715.00	6615.00
C10 H18 N3 O7 S	55795.00	54687.00	57667.00	52876.00	39100.00	39025.00	34932.00	33865.00	1.00	1.00	28276.00	29325.00	37016.00	34103.00	119917.00	124064.00	69493.00	71936.00	23022.00	25070.00	93326.00	93305.00	12896.00	14019.00
C4 H2 N2 O6 S	142505.00	131220.00	100340.00	104258.00	145400.00	151073.00	134886.00	135362.00	7113.00	8677.00	130061.00	123796.00	149630.00	147336.00	87218.00	85131.00	104003.00	101381.00	130060.00	133482.00	150835.00	147571.00	93246.00	91476.00
C40 H77	76243.00	74142.00	97550.00	95174.00	87319.00	93394.00	87268.00	89900.00	1.00	1.00	92253.00	88244.00	95570.00	91433.00	95107.00	102762.00	107495.00	97501.00	84023.00	80662.00	97724.00	99562.00	63145.00	67060.00
3-oxo-4-methyl-pentanoic acid Esi-3.925001	112860.00	105954.00	65225.00	70437.00	106651.00	102029.00	71110.00	73808.00	11072.00	1.00	75140.00	79960.00	91975.00	83642.00	124710.00	126270.00	140152.00	145168.00	79772.00	90493.00	113839.00	118125.00	77289.00	78524.00
C13 H3 Cl3 O3 S5	115216.00	111078.00	109274.00	110574.00	120642.00	115230.00	117606.00	113939.00	6555.00	1.00	111763.00	117270.00	118312.00	113335.00	108782.00	113569.00	110507.00	109135.00	115904.00	116860.00	108136.00	111809.00	90495.00	91791.00
4-Hydroxyethinylestradiol Esi-10.423003	288606.00	319162.00	286094.00	315667.00	296716.00	319782.00	311155.00	313236.00	294934.00	326097.00	336316.00	343077.00	327638.00	328274.00	343960.00	332470.00	294999.00	337128.00	361368.00	365350.00	337802.00	314839.00	339333.00	310979.00
C3 H2 N2 O7	87708.00	80692.00	101726.00	100865.00	70470.00	71041.00	72303.00	70186.00	176198.00	181232.00	73496.00	67702.00	72383.00	67609.00	81410.00	77421.00	92710.00	98398.00	69190.00	68226.00	99827.00	94798.00	142163.00	94669.00
C3 H2 N3 O3	189575.00	188937.00	175609.00	186840.00	195722.00	196586.00	191776.00	185001.00	81941.00	77240.00	202310.00	195048.00	188886.00	191777.00	195996.00	192768.00	195353.00	187600.00	207798.00	206088.00	189757.00	193120.00	190490.00	172338.00
Allamandin	53765.00	51149.00	36599.00	36368.00	22388.00	23070.00	18919.00	17384.00	1.00	1.00	14906.00	16249.00	16645.00	18054.00	89701.00	95097.00	64390.00	60045.00	12942.00	14180.00	49031.00	50221.00	5652.00	132624.00
?-hydroxyisobutyrate	123180.00	120427.00	88533.00	102368.00	116458.00	108072.00	75684.00	1.00	1.00	1.00	62235.00	75862.00	121780.00	114036.00	142228.00	142030.00	106951.00	157403.00	108243.00	109983.00	127018.00	129281.00	75967.00	73623.00
Ser Val Glu	65823.00	64144.00	45994.00	49175.00	68412.00	67044.00	66808.00	63880.00	1.00	1.00	49348.00	48590.00	62700.00	63322.00	79808.00	80814.00	96422.00	96475.00	93970.00	95344.00	110561.00	104527.00	112058.00	118178.00
C32 H67 N11 O	79288.00	77142.00	100105.00	98958.00	80828.00	80605.00	81680.00	90336.00	1.00	1.00	83773.00	82772.00	88398.00	85015.00	93394.00	97124.00	95602.00	97944.00	72724.00	74594.00	88108.00	92006.00	62835.00	62470.00
Tetradecyl sulfate	45182.00	40682.00	40839.00	36274.00	47753.00	45102.00	38119.00	38096.00	44777.00	42167.00	42272.00	47299.00	40672.00	38892.00	43004.00	42557.00	62664.00	68595.00	38373.00	41001.00	39948.00	40919.00	40979.00	46720.00
Pregna-4,16-diene-3,11,20-trione Esi-11.229003	109444.00	115766.00	109861.00	83127.00	91224.00	116226.00	104706.00	108413.00	98621.00	101887.00	71487.00	90395.00	82054.00	77199.00	60793.00	109577.00	87622.00	106586.00	107418.00	117337.00	111136.00	110157.00	117790.00	117758.00
C8 H6 N O6 S2	16185.00	14941.00	44875.00	45542.00	41474.00	42191.00	33979.00	30240.00	1.00	1.00	30371.00	29538.00	31955.00	33191.00	99017.00	99163.00	71878.00	70913.00	31119.00	31855.00	61653.00	58275.00	18545.00	18503.00
C11 H3 Cl3 N2 O3 S5	105674.00	106321.00	115201.00	106064.00	117657.00	116152.00	113400.00	121145.00	1.00	1.00	110916.00	113133.00	111703.00	107021.00	110625.00	112748.00	113654.00	108576.00	114424.00	111478.00	113021.00	112385.00	88281.00	90230.00
17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carboxylic acid, gamma-lactone	94564.00	103259.00	98928.00	92377.00	104365.00	100584.00	97113.00	91572.00	107210.00	102345.00	102627.00	107282.00	99290.00	102327.00	93005.00	102093.00	105427.00	110516.00	118047.00	121854.00	98097.00	79543.00	109534.00	106296.00
C5 H4 N3 O6 S	91442.00	104967.00	138409.00	66090.00	135723.00	126149.00	117541.00	129956.00	27118.00	26181.00	114109.00	126474.00	159542.00	175137.00	154088.00	146634.00	157661.00	155141.00	148676.00	147751.00	143443.00	128971.00	156513.00	142611.00
C40 H69 N5	82696.00	79085.00	102799.00	105309.00	96363.00	97171.00	90322.00	95127.00	1.00	1.00	95235.00	93588.00	98996.00	100004.00	107562.00	108498.00	108618.00	108712.00	83780.00	82930.00	100432.00	102179.00	70058.00	68720.00
C5 H6 O4	123079.00	123414.00	98961.00	98429.00	115536.00	104589.00	90815.00	84705.00	10327.00	9588.00	87169.00	88886.00	90388.00	87258.00	115003.00	117438.00	85997.00	83923.00	93630.00	85953.00	89878.00	94833.00	64551.00	88309.00
C14 H13 N3 O6	119022.00	114605.00	107059.00	124821.00	116991.00	112513.00	113134.00	119532.00	111429.00	113952.00	116187.00	118224.00	109559.00	117469.00	114381.00	106464.00	105663.00	107321.00	110072.00	116619.00	112227.00	111182.00	107601.00	111231.00
C9 N O3 S2	107900.00	103093.00	36630.00	33604.00	89311.00	93415.00	108047.00	102913.00	114885.00	109629.00	98500.00	98300.00	74251.00	72517.00	21095.00	23175.00	27764.00	30323.00	94413.00	90593.00	39127.00	38912.00	85472.00	78748.00
C21 H38 N7 O	28863.00	28908.00	18083.00	14583.00	12069.00	13521.00	13619.00	23669.00	14717.00	25046.00	42552.00	23769.00	11535.00	18453.00	14515.00	12321.00	13554.00	17783.00	19901.00	16859.00	12571.00	18472.00	92818.00	100036.00
C5 H2 N3 S	105703.00	98558.00	59918.00	54134.00	95798.00	100412.00	99228.00	113486.00	62649.00	60436.00	89293.00	87319.00	77949.00	85929.00	34938.00	34555.00	50366.00	49915.00	103035.00	106290.00	48786.00	37267.00	71430.00	75126.00
2'-Deoxyuridine	111114.00	104918.00	69771.00	69163.00	102055.00	107982.00	54138.00	48615.00	1.00	1.00	62875.00	62135.00	69806.00	70092.00	66003.00	63654.00	79621.00	78590.00	63165.00	64000.00	80520.00	83226.00	45420.00	47746.00
(S)-2-Ethyl-3-hydroxypropionic acid	102420.00	99428.00	60992.00	59995.00	50314.00	43735.00	35985.00	40191.00	1.00	1.00	54872.00	52836.00	50418.00	42014.00	42099.00	50528.00	103479.00	105755.00	58309.00	59375.00	69464.00	70638.00	45484.00	43793.00
Creatine	82212.00	77428.00	56069.00	65744.00	74669.00	69476.00	62179.00	63294.00	7777.00	8097.00	53870.00	51020.00	55724.00	56244.00	111122.00	112322.00	85368.00	80122.00	77752.00	79609.00	78106.00	81428.00	47354.00	47566.00
C13 H11 N3 O5	105976.00	112349.00	106823.00	105623.00	103025.00	111507.00	106970.00	102178.00	116329.00	106476.00	87769.00	91292.00	94238.00	91594.00	94854.00	96850.00	96314.00	92139.00	97828.00	95193.00	95837.00	101870.00	102709.00	105343.00
C3 H6 N3 S	151911.00	145697.00	101880.00	104848.00	117981.00	110263.00	130045.00	127109.00	12065.00	11920.00	139089.00	141441.00	116879.00	115263.00	100117.00	97091.00	110458.00	98333.00	129209.00	124190.00	116075.00	114803.00	130253.00	120726.00
C21 H25 N10 O16	48185.00	51086.00	27647.00	31688.00	50945.00	51989.00	30244.00	31026.00	107603.00	104367.00	57863.00	56856.00	70215.00	71393.00	52765.00	54552.00	41526.00	39656.00	19922.00	19886.00	26120.00	25691.00	35532.00	32836.00
Penicillin G	35126.00	36079.00	68216.00	73872.00	51729.00	51284.00	49366.00	51064.00	8184.00	7895.00	48776.00	48663.00	58914.00	56103.00	47492.00	46769.00	49954.00	49008.00	44145.00	43987.00	46240.00	43473.00	43604.00	45460.00
Phytuberin Esi-13.462004	93435.00	72878.00	80929.00	86147.00	76267.00	82780.00	90279.00	93624.00	87584.00	87072.00	97652.00	90125.00	99348.00	90096.00	96790.00	89660.00	97314.00	92118.00	97615.00	86594.00	104058.00	94825.00	93069.00	96967.00
Uridine	89333.00	85205.00	124165.00	121210.00	97300.00	101024.00	91522.00	89959.00	7836.00	7899.00	85250.00	90042.00	101350.00	102107.00	104234.00	110297.00	97296.00	93121.00	85209.00	89342.00	92807.00	94728.00	69643.00	70739.00
(-)-?-hydroxy butyric acid	53706.00	50870.00	57188.00	61512.00	57725.00	60206.00	52072.00	53110.00	1.00	9020.00	43687.00	44270.00	56130.00	54544.00	56065.00	53287.00	40005.00	44828.00	50207.00	53404.00	54938.00	51946.00	33669.00	38951.00
2-Chloro-3-oxoadipate Esi-0.9300002	150749.00	154332.00	130603.00	135303.00	179988.00	180617.00	162309.00	172252.00	102571.00	82987.00	161519.00	165651.00	171741.00	166543.00	180692.00	184512.00	139992.00	134334.00	159002.00	158407.00	205706.00	205108.00	98892.00	103591.00
C13 H17 O4	92078.00	92824.00	95522.00	90414.00	89988.00	97202.00	87809.00	101717.00	89059.00	89601.00	88951.00	87148.00	83690.00	81854.00	92922.00	95507.00	88009.00	93556.00	84503.00	88984.00	88279.00	87131.00	91628.00	97604.00
Tetrabromobisphenol A	88175.00	88325.00	86992.00	91611.00	94923.00	95010.00	96315.00	92650.00	1.00	1.00	95141.00	94895.00	94499.00	91977.00	84308.00	89972.00	90148.00	87774.00	89365.00	94049.00	91076.00	94305.00	75915.00	77568.00
Uridine Esi-1.523	57162.00	56571.00	95175.00	96144.00	84501.00	82949.00	71501.00	72550.00	1.00	1.00	63219.00	64470.00	89743.00	88314.00	86386.00	88972.00	94168.00	90097.00	85760.00	86936.00	74099.00	77608.00	60932.00	64623.00
C33 H59 N16	74084.00	74169.00	92191.00	92604.00	82907.00	84189.00	82618.00	82334.00	1.00	1.00	83780.00	82548.00	85490.00	85583.00	94019.00	94496.00	97537.00	92865.00	73642.00	71242.00	87673.00	88864.00	60558.00	58530.00
Glu Ile Ala	94167.00	96228.00	84660.00	86672.00	89233.00	85028.00	77128.00	83604.00	91157.00	79038.00	63059.00	71087.00	74954.00	70411.00	66482.00	73506.00	70571.00	70183.00	80216.00	78360.00	75286.00	74605.00	78787.00	75216.00
C28 H59 N19 O	69988.00	70458.00	91745.00	94552.00	85593.00	86083.00	82643.00	82973.00	1.00	1.00	82472.00	80840.00	84586.00	89190.00	91907.00	92833.00	98147.00	98962.00	73493.00	71377.00	89151.00	93183.00	58560.00	59420.00
C13 H4 N	120604.00	129420.00	76998.00	80297.00	94046.00	99876.00	98505.00	105163.00	44971.00	40782.00	78903.00	89739.00	94356.00	84041.00	95531.00	93808.00	88061.00	88505.00	94573.00	96948.00	92864.00	88717.00	71419.00	71562.00
L-Malic acid	101220.00	96254.00	69082.00	73243.00	102150.00	98803.00	102053.00	94782.00	90480.00	95676.00	95627.00	101454.00	94305.00	86564.00	56796.00	60026.00	67698.00	63140.00	105716.00	100267.00	79599.00	79077.00	103546.00	105237.00
Ser His His	84247.00	77634.00	70175.00	73252.00	78695.00	79584.00	74769.00	77046.00	75011.00	76446.00	62968.00	63620.00	67554.00	61457.00	65190.00	65277.00	70271.00	66378.00	65580.00	70537.00	69098.00	72372.00	69170.00	72005.00
C27 H57 N25 O3	78989.00	82526.00	85156.00	87634.00	90513.00	89983.00	86627.00	93035.00	1.00	1.00	83841.00	89628.00	89039.00	87533.00	90501.00	89002.00	86067.00	87504.00	83677.00	81729.00	83953.00	88143.00	63787.00	60244.00
?-hydroxyisobutyrate Esi-2.0219996	115723.00	116893.00	85464.00	94733.00	131936.00	108817.00	82017.00	26070.00	1.00	1.00	48824.00	22585.00	104248.00	94283.00	187997.00	189302.00	53832.00	71208.00	111296.00	98897.00	120198.00	95077.00	129830.00	91063.00
C18 H5 Cl3 S5	90468.00	87125.00	83730.00	90876.00	93824.00	93469.00	92528.00	94874.00	6066.00	1.00	95260.00	93278.00	92796.00	91473.00	83845.00	85741.00	88868.00	86226.00	90515.00	90603.00	89718.00	87494.00	72125.00	72245.00
C33 H67 N11	66160.00	66250.00	84829.00	88082.00	79076.00	78612.00	72525.00	74088.00	1.00	1.00	79515.00	74577.00	79931.00	79286.00	91228.00	88617.00	88998.00	92889.00	68865.00	66507.00	85657.00	85591.00	53760.00	54424.00
Pregna-4,16-diene-3,11,20-trione Esi-11.070004	90382.00	252417.00	86831.00	88255.00	85103.00	79932.00	280487.00	117265.00	78108.00	293524.00	87978.00	303240.00	233252.00	283501.00	286857.00	251097.00	83575.00	61752.00	87145.00	83950.00	241227.00	278561.00	86820.00	308958.00
4-Sulfocatechol	92590.00	95791.00	26574.00	25136.00	26769.00	24590.00	8103.00	8637.00	18235.00	17317.00	25827.00	24999.00	7770.00	1.00	58782.00	56592.00	32402.00	32603.00	33545.00	31737.00	45295.00	44169.00	14907.00	16775.00
C15 H N2 S3	72829.00	53280.00	41630.00	52794.00	77751.00	50411.00	71669.00	79500.00	1.00	1.00	64525.00	50998.00	54489.00	80708.00	51766.00	49466.00	71819.00	84869.00	71784.00	72885.00	57187.00	50575.00	59985.00	70958.00
C11 N O12 S2	82866.00	82551.00	80637.00	80810.00	89555.00	83077.00	85255.00	86254.00	10377.00	9218.00	92782.00	92040.00	85006.00	88900.00	85986.00	89167.00	92798.00	86972.00	93040.00	92021.00	89189.00	89317.00	73949.00	76686.00
C7 H Cl3 N O6 S2	36929.00	39539.00	38256.00	38608.00	38541.00	42179.00	38593.00	45419.00	1.00	1.00	44399.00	41508.00	41616.00	42267.00	39792.00	36554.00	40925.00	37414.00	40393.00	41428.00	40165.00	39845.00	32032.00	32404.00
C36 H61 N13	51733.00	48668.00	68828.00	66747.00	59125.00	59120.00	57162.00	59901.00	1.00	1.00	55826.00	58455.00	60672.00	56838.00	71546.00	64547.00	73442.00	65937.00	55302.00	46876.00	66447.00	63499.00	36443.00	40400.00
C4 H4 O4 S2	9135.00	20155.00	19029.00	13125.00	15936.00	28846.00	11503.00	26980.00	19152.00	12055.00	16146.00	20387.00	22502.00	24946.00	79723.00	74200.00	34015.00	26705.00	43384.00	43926.00	31165.00	34286.00	29141.00	25432.00
C5 H5 Cl S4	79266.00	81104.00	30186.00	27484.00	74346.00	66831.00	75174.00	86703.00	17373.00	18448.00	77476.00	73503.00	55078.00	57992.00	15802.00	17522.00	27311.00	25748.00	70621.00	74359.00	38347.00	37589.00	55775.00	50595.00
TCA-ethadyl	77469.00	75350.00	88111.00	86817.00	85305.00	84751.00	86533.00	82101.00	1.00	1.00	87287.00	81579.00	85215.00	84238.00	83583.00	82477.00	85812.00	87427.00	81876.00	83265.00	84602.00	85188.00	66987.00	66416.00
3,4-Dihydroxyphenylglycol O-sulfate	88331.00	80275.00	62387.00	62702.00	65340.00	64412.00	61214.00	61139.00	10522.00	9170.00	58730.00	56869.00	64322.00	64002.00	76300.00	75356.00	71983.00	71193.00	58662.00	61747.00	79527.00	72927.00	57950.00	54218.00
C23 H29 O9	53263.00	54596.00	54035.00	56176.00	72620.00	67402.00	45697.00	47191.00	68247.00	65548.00	62011.00	58507.00	66784.00	69199.00	59699.00	60133.00	71042.00	67999.00	48758.00	50765.00	63499.00	64947.00	53227.00	54325.00
C10 H2 N2 O7	84851.00	88967.00	83454.00	85838.00	79597.00	83266.00	75370.00	79680.00	6179.00	1.00	85707.00	83471.00	80947.00	78609.00	78843.00	84736.00	86719.00	87388.00	78218.00	75431.00	84160.00	82675.00	61633.00	59912.00
C7 Cl2 N3 O3 S5	77690.00	82022.00	86385.00	80682.00	82741.00	80873.00	81295.00	86310.00	1.00	1.00	81361.00	81192.00	80620.00	84130.00	81221.00	81644.00	81730.00	80416.00	80893.00	76905.00	77930.00	78132.00	60424.00	64433.00
Pregna-4,16-diene-3,11,20-trione Esi-10.994	86060.00	271793.00	271990.00	83256.00	293498.00	88168.00	76167.00	84750.00	61981.00	290184.00	268888.00	269167.00	255053.00	255414.00	62340.00	88925.00	72263.00	268160.00	270792.00	298357.00	297163.00	288948.00	223819.00	275951.00
2-Benzothiazolesulfonamide	51617.00	54285.00	47093.00	46184.00	23962.00	21844.00	27139.00	26654.00	26018.00	22902.00	24938.00	23464.00	21150.00	19536.00	25735.00	27837.00	51323.00	46504.00	73644.00	77233.00	95672.00	86725.00	73167.00	72677.00
C7 H4 Cl2 N3 O2 S4	76652.00	78458.00	81111.00	78132.00	83680.00	81871.00	77750.00	76074.00	8563.00	8356.00	78059.00	80853.00	73409.00	75378.00	75346.00	72953.00	75122.00	72431.00	77470.00	79645.00	73506.00	76467.00	62883.00	63815.00
2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene	69642.00	66222.00	48478.00	52659.00	59088.00	59203.00	57009.00	55996.00	1.00	1.00	50218.00	48116.00	51629.00	51411.00	89798.00	92162.00	70209.00	66933.00	67144.00	67702.00	66295.00	68330.00	36528.00	36520.00
C10 H5 Cl3 O2 S5	42995.00	40905.00	35013.00	33437.00	41646.00	38711.00	41220.00	40666.00	1.00	1.00	41761.00	40864.00	45020.00	43616.00	32441.00	31233.00	36213.00	34848.00	44042.00	44867.00	38447.00	35665.00	31169.00	30310.00
2,3-Dihydroxycarbamazepine	98004.00	101359.00	99209.00	95720.00	100177.00	102600.00	100527.00	98149.00	100281.00	96614.00	96952.00	96135.00	101563.00	98450.00	105063.00	94561.00	91460.00	88533.00	95537.00	103581.00	97918.00	94140.00	97741.00	103298.00
Pyruvic acid Esi-1.271	59915.00	54646.00	78947.00	78115.00	85532.00	84049.00	63026.00	62859.00	1.00	1.00	53947.00	51593.00	70754.00	74268.00	94781.00	87560.00	77445.00	79486.00	69745.00	70028.00	75028.00	72982.00	59418.00	60535.00
C3 H4 O	130079.00	143023.00	97757.00	94791.00	93594.00	93243.00	97286.00	105957.00	16327.00	14247.00	87039.00	91550.00	89199.00	86739.00	104195.00	111618.00	106555.00	100984.00	86905.00	84734.00	106690.00	102243.00	56161.00	63968.00
C34 H73 N6	69607.00	68210.00	81370.00	80704.00	76041.00	77054.00	82155.00	73053.00	1.00	1.00	79644.00	77676.00	80821.00	77957.00	88382.00	79917.00	89602.00	85585.00	67213.00	67992.00	81154.00	80403.00	57293.00	56393.00
C10 O8	48255.00	46962.00	15181.00	16990.00	71708.00	74015.00	72670.00	70399.00	1.00	1.00	59957.00	57971.00	56114.00	50793.00	10942.00	6931.00	15731.00	19331.00	65243.00	67163.00	16199.00	16111.00	29599.00	29176.00
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, 2-hydroxy-2-methylpropyl	74071.00	75332.00	59359.00	61270.00	60854.00	58981.00	55234.00	56641.00	47739.00	47315.00	63303.00	63410.00	63465.00	61755.00	75666.00	73769.00	62614.00	60511.00	62507.00	67576.00	60989.00	58265.00	65340.00	62610.00
Diacetyl	143299.00	142937.00	103469.00	105112.00	115155.00	110965.00	112345.00	113843.00	11441.00	12073.00	106472.00	103012.00	104134.00	107203.00	120206.00	127139.00	118449.00	118140.00	94567.00	93357.00	121214.00	123949.00	77359.00	74399.00
Doisynoestrol Esi-10.0650015	81065.00	75222.00	79495.00	54644.00	65185.00	73731.00	79950.00	81694.00	84080.00	75804.00	80232.00	75488.00	74483.00	83374.00	72636.00	73033.00	77052.00	61547.00	83745.00	77676.00	81488.00	64837.00	75879.00	85352.00
Inosine	35294.00	34494.00	47994.00	43940.00	28781.00	31897.00	24399.00	21278.00	1.00	1.00	19920.00	24148.00	28968.00	28917.00	73387.00	78990.00	60412.00	65122.00	20783.00	26021.00	58923.00	63334.00	16537.00	17619.00
2-amino-4-cyano-butanoic acid	75731.00	70432.00	64485.00	63155.00	66320.00	67677.00	58785.00	56439.00	1.00	1.00	82934.00	85130.00	62107.00	58864.00	60635.00	62512.00	63428.00	65569.00	58752.00	59108.00	60247.00	60780.00	46025.00	52429.00
C4 H3 Cl2 S3	79565.00	80576.00	104701.00	110196.00	93740.00	88594.00	100328.00	112377.00	24861.00	22089.00	104453.00	118578.00	117767.00	99617.00	95263.00	86087.00	127957.00	121912.00	85614.00	115033.00	97405.00	96075.00	118164.00	119389.00
C10 H15 N O14 S	53784.00	54776.00	39372.00	40343.00	56984.00	56489.00	32671.00	36558.00	57297.00	58344.00	74103.00	69448.00	48862.00	49121.00	51114.00	47633.00	32636.00	29493.00	21202.00	21465.00	36483.00	37539.00	23826.00	22065.00
C14 H11 N3 O5	99656.00	65916.00	92342.00	90252.00	96085.00	88727.00	90605.00	93089.00	94267.00	89735.00	86380.00	87858.00	89041.00	91885.00	85157.00	84615.00	83016.00	85188.00	83632.00	81345.00	86176.00	82383.00	83784.00	85189.00
C21 H38 N7 O Esi-13.462004	58406.00	63697.00	77973.00	79264.00	79002.00	67566.00	59253.00	65354.00	104552.00	59550.00	53625.00	54142.00	93238.00	92579.00	72323.00	69966.00	61500.00	83846.00	52939.00	67897.00	97706.00	67594.00	65004.00	93587.00
Cer(d18:1/24:0)	62205.00	60300.00	65265.00	71683.00	68481.00	68992.00	65030.00	67662.00	1.00	1.00	63589.00	64589.00	66091.00	64146.00	62376.00	63298.00	64403.00	61475.00	61456.00	62734.00	63327.00	62547.00	44113.00	48587.00
L-Iditol	83206.00	80148.00	73853.00	72872.00	58823.00	58500.00	62092.00	56787.00	9706.00	9083.00	64434.00	61514.00	59820.00	58538.00	83139.00	84301.00	74006.00	72172.00	61839.00	60949.00	82209.00	83224.00	40589.00	41600.00
C13 H Cl N S3	70010.00	76958.00	75212.00	72589.00	70487.00	73942.00	70983.00	73451.00	10879.00	12938.00	73298.00	69415.00	70343.00	72932.00	72511.00	70370.00	71352.00	70880.00	74520.00	73250.00	71482.00	71959.00	56601.00	60978.00
Benzamide	90597.00	82710.00	78476.00	75548.00	85794.00	86543.00	80297.00	91509.00	85786.00	83906.00	67058.00	70907.00	78158.00	73757.00	73119.00	63890.00	72500.00	65737.00	69433.00	65021.00	73114.00	78715.00	72850.00	73143.00
Glucuronolactone	72344.00	75276.00	31845.00	33657.00	71630.00	72051.00	70346.00	72729.00	113678.00	115424.00	61738.00	60661.00	56267.00	55478.00	29653.00	27168.00	28820.00	28395.00	75062.00	75478.00	36246.00	36909.00	69172.00	70371.00
C6 H4 Cl2 O7 S5	72906.00	73677.00	68212.00	74821.00	74635.00	74737.00	74679.00	72490.00	1.00	1.00	72768.00	75626.00	74692.00	74024.00	73236.00	72121.00	74115.00	72120.00	72745.00	72657.00	73621.00	75074.00	59526.00	60596.00
C35 H73 N3 O7	54193.00	57596.00	65539.00	64662.00	61540.00	62983.00	59948.00	60631.00	1.00	1.00	56323.00	60662.00	62665.00	59821.00	69655.00	63138.00	65006.00	64083.00	55061.00	56653.00	67786.00	63110.00	41692.00	44156.00
Doisynoestrol Esi-9.877001	135507.00	127221.00	134691.00	124757.00	131400.00	129798.00	132914.00	132342.00	144000.00	118016.00	142677.00	130552.00	126257.00	135167.00	140512.00	134956.00	133515.00	119012.00	133019.00	136459.00	127416.00	114446.00	130180.00	137002.00
2'-Deoxyuridine Esi-2.111	96523.00	84453.00	57072.00	62004.00	80838.00	87590.00	41757.00	39918.00	1.00	1.00	44675.00	47812.00	51213.00	51795.00	44447.00	45342.00	55771.00	52481.00	43625.00	45138.00	55853.00	1.00	26085.00	1.00
C30 H44 N9 O5	60784.00	53752.00	54206.00	52406.00	57147.00	57710.00	51573.00	51400.00	53066.00	54561.00	45075.00	44200.00	41708.00	39278.00	43232.00	44871.00	42807.00	42418.00	45031.00	45607.00	45293.00	48751.00	51461.00	51199.00
C43 H63 N11 O3	62162.00	58191.00	63341.00	64980.00	62338.00	65436.00	66112.00	64395.00	1.00	1.00	62207.00	66355.00	64433.00	65156.00	65567.00	63529.00	65181.00	66371.00	53866.00	62099.00	63880.00	63615.00	46339.00	44218.00
C23 H51 N27 O2	67896.00	70317.00	87444.00	81257.00	74747.00	75253.00	68276.00	75209.00	1.00	1.00	71327.00	75047.00	78556.00	77644.00	88102.00	84187.00	91891.00	89206.00	69772.00	64044.00	78801.00	83255.00	54966.00	57159.00
Pregna-4,16-diene-3,11,20-trione Esi-10.987	86433.00	90392.00	293339.00	276214.00	293369.00	85105.00	250379.00	270072.00	272127.00	290565.00	183624.00	273007.00	250713.00	256257.00	179754.00	274742.00	275709.00	268861.00	285169.00	236961.00	264842.00	289905.00	308807.00	322577.00
C5 H O9 S	1.00	12431.00	12363.00	13886.00	13478.00	11474.00	11354.00	16215.00	27188.00	22408.00	1.00	5557.00	11390.00	6618.00	76707.00	74396.00	30910.00	49082.00	12482.00	12215.00	47180.00	23176.00	10403.00	15008.00
1,3,5-Trihydroxyxanthone	71575.00	69103.00	40602.00	39896.00	56349.00	58097.00	54428.00	59021.00	31604.00	35222.00	44022.00	47870.00	40570.00	43119.00	38949.00	38338.00	42067.00	44257.00	46249.00	46903.00	44584.00	48570.00	36479.00	35639.00
C26 H26 N O2	97180.00	77622.00	85254.00	83546.00	81581.00	76369.00	68174.00	67853.00	66784.00	63527.00	53949.00	51460.00	54040.00	49787.00	69076.00	56251.00	52035.00	52909.00	50816.00	49643.00	47214.00	50154.00	55127.00	53766.00
C16 H5 N O3	68217.00	68223.00	1.00	1.00	61770.00	58540.00	60778.00	65176.00	1.00	1.00	45366.00	44207.00	45776.00	46749.00	1.00	1.00	1.00	1.00	50385.00	52721.00	1.00	1.00	25819.00	26147.00
Isobenzan	69037.00	68024.00	65222.00	73692.00	73504.00	70729.00	73617.00	68963.00	1.00	1.00	71420.00	71998.00	71121.00	72190.00	67372.00	71898.00	70238.00	72478.00	70136.00	68663.00	69417.00	74207.00	54700.00	56093.00
C17 H25 N O6	44441.00	43491.00	28526.00	27843.00	36334.00	40169.00	31842.00	30675.00	30812.00	30460.00	62098.00	62430.00	47755.00	45016.00	27351.00	25822.00	28333.00	25061.00	26895.00	28466.00	36077.00	36893.00	27607.00	28774.00
TRIBOA	34323.00	30192.00	29947.00	27435.00	27415.00	27379.00	25915.00	29554.00	30747.00	28643.00	1.00	1.00	1.00	1.00	25376.00	24987.00	26058.00	27717.00	21865.00	20672.00	1.00	1.00	30668.00	29010.00
C25 H35 N18 O7	69751.00	70749.00	7186.00	6376.00	10374.00	11580.00	10234.00	10617.00	34495.00	36788.00	9065.00	8425.00	7440.00	7708.00	12901.00	11865.00	7250.00	6606.00	8830.00	10050.00	1.00	1.00	24490.00	24808.00
2-Naphthaleneacetic acid, 6-(sulfooxy)-	30030.00	33380.00	28946.00	42584.00	29927.00	30258.00	31519.00	36075.00	22517.00	24476.00	27936.00	29667.00	29338.00	33043.00	32155.00	33480.00	32458.00	32062.00	27015.00	28802.00	26983.00	27570.00	28410.00	32449.00
Diethyl Oxalpropionate	38211.00	36161.00	27543.00	25928.00	15705.00	14408.00	32219.00	31140.00	1.00	1.00	11674.00	11253.00	26201.00	24405.00	54120.00	53151.00	22305.00	21702.00	36908.00	39115.00	62031.00	61802.00	38234.00	35555.00
N-(4-Hydroxyphenyl)propanamide	67581.00	64936.00	48588.00	46615.00	44027.00	39860.00	31122.00	33558.00	17457.00	15915.00	32373.00	33947.00	37319.00	36668.00	44159.00	47158.00	34493.00	36939.00	39902.00	40205.00	36264.00	36563.00	36948.00	36061.00
Glutathione, oxidized	48215.00	46632.00	7994.00	7015.00	9012.00	8986.00	7213.00	7843.00	64670.00	65407.00	1.00	1.00	7759.00	7509.00	14330.00	15831.00	8906.00	8343.00	11012.00	12221.00	6248.00	6740.00	1.00	1.00
C12 H2 O9 S	56623.00	61440.00	65286.00	63878.00	68318.00	65851.00	60889.00	66324.00	9316.00	8986.00	71405.00	72429.00	68956.00	69762.00	68977.00	66119.00	73874.00	73882.00	70659.00	69167.00	72954.00	75276.00	58490.00	56192.00
C8 H Cl3 O4 S5	29863.00	27106.00	27555.00	24414.00	28076.00	25722.00	26472.00	27533.00	1.00	1.00	26446.00	28747.00	23682.00	21713.00	27078.00	24306.00	25820.00	24330.00	28971.00	29657.00	24046.00	25277.00	19946.00	18968.00
4-Heptyloxyphenol	85415.00	79139.00	71081.00	81763.00	83889.00	83253.00	82219.00	80954.00	77465.00	87553.00	84324.00	78157.00	81394.00	85431.00	83591.00	84069.00	79375.00	89320.00	91605.00	84388.00	88402.00	90308.00	87783.00	90592.00
C11 H11 N5 O9 S2	61448.00	61118.00	28468.00	29044.00	44765.00	46027.00	22683.00	21352.00	1.00	1.00	32998.00	33835.00	43004.00	41163.00	59362.00	54248.00	46526.00	41644.00	34235.00	36123.00	37117.00	36468.00	24266.00	25012.00
C10 H4 N2 O5 S	71714.00	67803.00	68073.00	71887.00	74577.00	74103.00	70150.00	64068.00	19399.00	17825.00	84656.00	81423.00	70652.00	71516.00	75754.00	73044.00	82096.00	77862.00	78158.00	78833.00	80957.00	79717.00	69061.00	64031.00
C42 H83 N2 O2	58024.00	55741.00	55927.00	56532.00	61042.00	61218.00	59086.00	60112.00	1.00	1.00	59528.00	58886.00	61753.00	59785.00	55766.00	56442.00	55671.00	56580.00	58053.00	56754.00	56262.00	59823.00	43551.00	43880.00
C11 H2 N O13 S2	1.00	1.00	1.00	7547.00	11071.00	13108.00	9066.00	8567.00	1.00	1.00	7872.00	7252.00	7687.00	8367.00	58085.00	57422.00	10999.00	10875.00	16027.00	17247.00	9872.00	9198.00	8504.00	7509.00
Rishitin	58010.00	60393.00	55768.00	59922.00	59639.00	58894.00	57572.00	56306.00	57598.00	55395.00	56119.00	58964.00	52123.00	57611.00	53893.00	58940.00	58395.00	54104.00	56632.00	55094.00	57843.00	56572.00	53662.00	61089.00
C35 H69 N2 O18	46138.00	46605.00	51843.00	52415.00	51445.00	55543.00	54373.00	53188.00	1.00	1.00	50883.00	52641.00	50244.00	52735.00	54873.00	54796.00	56622.00	55039.00	47939.00	46468.00	52286.00	53805.00	39300.00	36525.00
Inosine Esi-1.6290003	50557.00	46372.00	10891.00	12459.00	17138.00	17988.00	19156.00	18557.00	1.00	1.00	11491.00	11095.00	11223.00	9796.00	63079.00	63772.00	33531.00	32184.00	22060.00	21123.00	20992.00	25959.00	16549.00	17163.00
C7 H5 N O2	70649.00	69282.00	72408.00	66490.00	70611.00	72160.00	58972.00	64439.00	63541.00	55587.00	61303.00	64391.00	69105.00	64057.00	67080.00	62661.00	63832.00	63691.00	62075.00	66079.00	69500.00	69253.00	71868.00	67630.00
C30 H44 N S	43180.00	63140.00	66931.00	63361.00	62217.00	64202.00	72205.00	75338.00	65960.00	61751.00	50334.00	55028.00	75027.00	67963.00	91542.00	52265.00	56798.00	61225.00	83676.00	78762.00	79325.00	79585.00	84354.00	65426.00
C16 H12 N O3 S	26058.00	27453.00	23450.00	26075.00	24107.00	24610.00	21754.00	24703.00	21325.00	20948.00	18624.00	20983.00	22341.00	22616.00	29989.00	31919.00	26115.00	24826.00	18637.00	21685.00	22220.00	23948.00	23934.00	24029.00
C3 Cl3 N S Esi-0.9559998	39931.00	98061.00	28330.00	101013.00	33173.00	122457.00	124369.00	137885.00	39254.00	41530.00	137908.00	155023.00	146236.00	64454.00	29617.00	29564.00	108212.00	115756.00	150792.00	159492.00	100942.00	93221.00	180712.00	185766.00
2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-2,4-dienoate	64343.00	63870.00	44656.00	46432.00	51683.00	49168.00	44393.00	48639.00	1.00	1.00	43479.00	43727.00	45297.00	43278.00	62227.00	61909.00	48967.00	50994.00	39880.00	40519.00	72359.00	75347.00	26280.00	34132.00
7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C	41262.00	44685.00	41799.00	47915.00	47615.00	49003.00	48441.00	51681.00	55503.00	58427.00	49603.00	53331.00	55167.00	53952.00	58264.00	60283.00	51073.00	49981.00	48911.00	48756.00	57386.00	50928.00	60073.00	59291.00
Fexofenadine	51596.00	50647.00	1.00	1.00	3068.00	3354.00	1.00	2047.00	9286.00	9863.00	1.00	1.00	7277.00	5992.00	4846.00	5017.00	3262.00	2043.00	1.00	1.00	1.00	1.00	1.00	1.00
C9 H2 Cl2 O6 S5	32066.00	26759.00	30102.00	28393.00	32280.00	32298.00	33459.00	31727.00	1.00	1.00	33865.00	32106.00	30824.00	32193.00	29862.00	27927.00	28069.00	27518.00	32039.00	32440.00	31608.00	32327.00	24929.00	23327.00
C18 H2 N2 S3	113641.00	112173.00	112523.00	110232.00	125192.00	128936.00	123823.00	125831.00	22746.00	20190.00	118603.00	123618.00	123195.00	117762.00	113531.00	111596.00	122106.00	118933.00	122586.00	124463.00	125284.00	119877.00	94157.00	92734.00
C15 H6 O	30252.00	26470.00	53341.00	56595.00	29804.00	31659.00	34486.00	30080.00	1.00	1.00	35829.00	32669.00	27265.00	27037.00	62656.00	62660.00	54517.00	54419.00	23544.00	23497.00	54609.00	60919.00	16772.00	16294.00
Uric acid	61543.00	64359.00	27804.00	26840.00	29841.00	30717.00	25603.00	22696.00	15708.00	14269.00	1.00	1.00	34767.00	32743.00	40160.00	38953.00	42843.00	47321.00	34416.00	32965.00	21784.00	23256.00	22762.00	25347.00
C16 H10 N4 O S	37563.00	37968.00	16214.00	17288.00	38204.00	37099.00	42601.00	43735.00	60675.00	65733.00	32819.00	37040.00	29013.00	28886.00	20176.00	20172.00	28688.00	25561.00	52636.00	50151.00	29058.00	32054.00	41379.00	39988.00
C18 H18 N12 O2	52543.00	44448.00	47278.00	52814.00	46646.00	47576.00	47101.00	48033.00	46639.00	44914.00	39327.00	41077.00	41429.00	41243.00	38229.00	41541.00	37770.00	36287.00	39667.00	40295.00	46500.00	42437.00	41992.00	44205.00
(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate	31946.00	36642.00	32435.00	37219.00	31957.00	31842.00	31456.00	36403.00	29800.00	30685.00	30335.00	30966.00	28841.00	32402.00	31254.00	33322.00	24449.00	31346.00	29631.00	30799.00	28717.00	30833.00	28666.00	36930.00
lipoamide	11610.00	14684.00	23648.00	25553.00	15872.00	14444.00	42002.00	34279.00	1.00	1.00	13113.00	11797.00	11267.00	10154.00	6547.00	9551.00	18926.00	22336.00	59018.00	60914.00	14954.00	15697.00	22744.00	18692.00
C17 H Cl3 N O S	54899.00	55064.00	26913.00	28171.00	49422.00	51007.00	57235.00	53988.00	36759.00	37110.00	49993.00	50664.00	48461.00	46951.00	27304.00	25048.00	27787.00	29394.00	57016.00	56275.00	35613.00	33105.00	43086.00	45348.00
THTA	49414.00	50621.00	158493.00	181980.00	36905.00	194620.00	34154.00	198211.00	9003.00	15503.00	36392.00	29716.00	32461.00	32395.00	205561.00	207442.00	204678.00	198842.00	33460.00	172871.00	42674.00	187802.00	22312.00	21339.00
C9 H Cl3 N O5 S5	54759.00	52424.00	53950.00	55642.00	53707.00	56324.00	60764.00	57077.00	1.00	1.00	56790.00	55754.00	60311.00	53427.00	52608.00	56067.00	51446.00	53179.00	56377.00	54015.00	56381.00	56740.00	38439.00	44050.00
C9 H15 N O4	61006.00	56161.00	55540.00	53618.00	56649.00	60332.00	58884.00	54216.00	56252.00	55945.00	50112.00	48897.00	49955.00	54817.00	51224.00	53783.00	53938.00	49560.00	55801.00	53111.00	55249.00	55042.00	53738.00	56744.00
C42 H83 N3 O3	58502.00	63901.00	58948.00	57561.00	60409.00	62153.00	60995.00	60716.00	1.00	1.00	58092.00	59339.00	60518.00	59308.00	55766.00	55228.00	54230.00	52913.00	61255.00	60244.00	62641.00	61249.00	47421.00	47417.00
C17 H12 N9	51005.00	57235.00	55683.00	50474.00	49133.00	52921.00	50587.00	53580.00	55680.00	52888.00	46705.00	46084.00	47087.00	47637.00	50803.00	51507.00	43785.00	45027.00	46757.00	48121.00	49154.00	47230.00	49715.00	50254.00
6,8-Dihydroxypurine	57295.00	60133.00	41878.00	38224.00	40241.00	41948.00	35560.00	35023.00	1.00	1.00	34083.00	32789.00	41633.00	45769.00	40343.00	37668.00	59646.00	59017.00	45635.00	42686.00	26463.00	28299.00	36163.00	33981.00
C20 H41 N4 O13 S	54760.00	51061.00	38607.00	38224.00	35550.00	34649.00	26660.00	25331.00	16477.00	16531.00	28273.00	29550.00	29222.00	31978.00	42874.00	38860.00	29880.00	29667.00	30407.00	31094.00	28617.00	30950.00	35638.00	33104.00
2-methylene-4-oxo-pentanedioic acid	217026.00	207046.00	114977.00	243775.00	255106.00	126397.00	1.00	222416.00	31755.00	36951.00	105565.00	184784.00	1.00	235526.00	109110.00	107730.00	124553.00	113277.00	122128.00	120639.00	109280.00	110692.00	109178.00	99841.00
C31 H67 N20 O5	44689.00	41816.00	44228.00	45647.00	49090.00	50163.00	51245.00	51358.00	1.00	1.00	50440.00	49226.00	47106.00	52507.00	44539.00	43919.00	46128.00	45702.00	45848.00	43593.00	43072.00	48366.00	35218.00	35972.00
C20 Cl2 N O S2	47211.00	48469.00	44229.00	45670.00	52322.00	52271.00	47084.00	48638.00	1.00	1.00	53431.00	55930.00	51509.00	53008.00	62457.00	60418.00	52961.00	54853.00	58359.00	60791.00	55670.00	57563.00	46906.00	44884.00
Polygonolide	19421.00	19523.00	24044.00	24405.00	10750.00	11903.00	1.00	6531.00	1.00	1.00	1.00	8221.00	8074.00	8255.00	50947.00	54989.00	33894.00	38025.00	6406.00	1.00	22896.00	22666.00	1.00	1.00
C6 H4 N O7 S2	32977.00	33817.00	13858.00	1.00	24536.00	29315.00	25333.00	28625.00	54636.00	55193.00	26726.00	28158.00	19162.00	22982.00	13949.00	11453.00	1.00	1.00	28797.00	27847.00	16032.00	1.00	19892.00	20679.00
C3 H Cl N O3 S	56772.00	54719.00	26311.00	32187.00	44607.00	49796.00	52658.00	51702.00	41081.00	42920.00	51832.00	48422.00	44800.00	35361.00	36874.00	39051.00	27126.00	29967.00	53682.00	57646.00	34238.00	37835.00	44638.00	44028.00
4-hydroxy-2-oxo-Heptanedioic acid	55806.00	56679.00	53714.00	51174.00	57604.00	56712.00	43934.00	42797.00	1.00	1.00	33640.00	38271.00	51982.00	49195.00	77175.00	71179.00	62144.00	56401.00	45948.00	47506.00	51721.00	50863.00	29329.00	31137.00
6-Hydroxygenistein	49369.00	45363.00	23765.00	24785.00	42815.00	42730.00	42283.00	42061.00	9901.00	9395.00	34601.00	35905.00	31206.00	30292.00	21427.00	22741.00	28020.00	27507.00	35058.00	35357.00	30484.00	32570.00	25252.00	27239.00
3,4-Dihydroxyphenylglycol O-sulfate Esi-1.433	76634.00	72509.00	54497.00	51182.00	56697.00	56125.00	57903.00	59071.00	1.00	1.00	56140.00	54302.00	52702.00	56262.00	52469.00	51346.00	42906.00	40104.00	49729.00	38094.00	43870.00	42582.00	33589.00	33309.00
C8 H17 N O8 S	45384.00	45784.00	46600.00	39010.00	47402.00	47589.00	52868.00	54654.00	58766.00	47473.00	53814.00	53423.00	51764.00	53370.00	52021.00	51359.00	48677.00	46914.00	51953.00	54587.00	54689.00	49856.00	53537.00	54296.00
C4 H2 N2 O8	30183.00	32894.00	27867.00	31140.00	22276.00	21573.00	25951.00	25754.00	51301.00	46902.00	24475.00	25855.00	24961.00	21898.00	13185.00	21692.00	30922.00	18680.00	23244.00	21116.00	16355.00	18056.00	33743.00	35678.00
Neoilludin A Esi-6.4349985	40801.00	39416.00	22092.00	21629.00	38405.00	40714.00	17684.00	17981.00	54104.00	56728.00	19974.00	17067.00	25142.00	23775.00	21550.00	21300.00	33914.00	33803.00	18575.00	20498.00	27012.00	30741.00	21166.00	22710.00
C30 H67 N9 O8	42285.00	39974.00	49322.00	51675.00	43666.00	45983.00	45366.00	47105.00	1.00	1.00	45379.00	47402.00	46147.00	49417.00	49762.00	49568.00	50702.00	47646.00	40829.00	41595.00	48744.00	47421.00	32111.00	32755.00
C11 H4 N2 O2 S3	16368.00	19165.00	22692.00	19616.00	26465.00	26829.00	26904.00	20929.00	1.00	1.00	25344.00	26629.00	27552.00	26411.00	58373.00	59649.00	27632.00	22642.00	32566.00	28210.00	27782.00	21364.00	21666.00	17823.00
C7 H2 N S	25781.00	24859.00	34825.00	31641.00	37495.00	38969.00	33689.00	35594.00	1.00	7502.00	31104.00	34367.00	33678.00	37500.00	52131.00	46667.00	39254.00	40794.00	36150.00	35446.00	34860.00	35821.00	23900.00	25911.00
C13 H9 Cl3 N O S5	40402.00	46036.00	39915.00	40065.00	49598.00	49283.00	47021.00	42926.00	1.00	1.00	49075.00	46336.00	46955.00	47015.00	40983.00	43852.00	45782.00	41831.00	52493.00	52751.00	45428.00	48958.00	42652.00	37537.00
C7 H10 O6 S	50755.00	35219.00	50759.00	47447.00	35997.00	39101.00	38202.00	39990.00	1.00	1.00	51964.00	33663.00	37401.00	37711.00	49346.00	54459.00	46361.00	45572.00	32855.00	35888.00	39742.00	39950.00	33035.00	35481.00
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-octanoate	25713.00	27150.00	26095.00	23375.00	21908.00	23747.00	32225.00	33663.00	29332.00	26303.00	52393.00	51670.00	27608.00	26320.00	30770.00	27946.00	32033.00	31787.00	22323.00	24171.00	25351.00	22985.00	30246.00	30741.00
C24 H57 N18 O10	38851.00	39894.00	44427.00	42696.00	42087.00	42473.00	44651.00	42439.00	1.00	1.00	42865.00	46907.00	42495.00	44209.00	44277.00	44634.00	44427.00	46498.00	42788.00	40316.00	43133.00	47265.00	31658.00	30386.00
C8 H6 N3 O8	49100.00	46892.00	46453.00	46561.00	50623.00	48588.00	44009.00	45997.00	1.00	1.00	47540.00	52385.00	48836.00	44362.00	50453.00	49125.00	43691.00	44548.00	42156.00	48245.00	55864.00	53631.00	30159.00	29732.00
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-octanoate Esi-9.671998	53412.00	53278.00	47808.00	50939.00	54919.00	53710.00	48497.00	51871.00	52705.00	47878.00	54082.00	51594.00	50580.00	48482.00	51474.00	52244.00	50495.00	49243.00	53321.00	53378.00	49981.00	54457.00	43548.00	54496.00
Idarubicin	41602.00	40596.00	40546.00	43703.00	40712.00	41077.00	40279.00	41708.00	36291.00	38238.00	36693.00	37136.00	38444.00	38819.00	36073.00	36563.00	37562.00	34480.00	36866.00	37812.00	39326.00	38878.00	38777.00	39578.00
C10 H2 N2 O13 S	39368.00	40998.00	43167.00	46419.00	44177.00	45309.00	41520.00	41900.00	6122.00	1.00	46896.00	47338.00	44690.00	47520.00	40908.00	43040.00	46389.00	45583.00	51125.00	48155.00	47972.00	48955.00	41998.00	36794.00
Asp Gln Tyr	33210.00	33187.00	32271.00	30378.00	42786.00	41274.00	27277.00	26751.00	41889.00	38902.00	33460.00	35114.00	37602.00	37306.00	35441.00	33157.00	40165.00	38666.00	28669.00	28737.00	39451.00	35608.00	33397.00	33274.00
Palmitic acid	54004.00	56633.00	48691.00	48026.00	51489.00	52252.00	52892.00	55597.00	50647.00	52387.00	53425.00	54706.00	56203.00	50802.00	58889.00	52777.00	53366.00	51326.00	52368.00	50418.00	50030.00	53347.00	55063.00	53807.00
C29 H65 N15	35943.00	37944.00	46179.00	49699.00	42306.00	38966.00	44134.00	42343.00	1.00	1.00	42779.00	45358.00	44232.00	42154.00	48749.00	49092.00	46136.00	49035.00	36300.00	37906.00	43813.00	46531.00	29642.00	30133.00
C9 H2 N O12 S2	40967.00	43554.00	44142.00	41182.00	42125.00	47264.00	44178.00	46897.00	1.00	1.00	49926.00	47910.00	46396.00	44600.00	43549.00	48301.00	49762.00	40908.00	51490.00	50507.00	44526.00	45344.00	41285.00	37100.00
(S)-2-Ethyl-3-hydroxypropionic acid Esi-3.380999	49538.00	62624.00	34519.00	48838.00	57635.00	35847.00	40244.00	51959.00	45106.00	53525.00	53016.00	39881.00	68118.00	40611.00	40942.00	58394.00	34320.00	46949.00	33330.00	50685.00	79457.00	52425.00	58019.00	67492.00
L-Arginine	54533.00	55428.00	47114.00	47333.00	41926.00	45215.00	46818.00	48924.00	28381.00	30152.00	30647.00	29503.00	42094.00	42787.00	41076.00	43474.00	36833.00	32686.00	35064.00	35069.00	25551.00	28471.00	29443.00	26839.00
C42 H82 Cl O	41451.00	39994.00	40376.00	41800.00	42445.00	41570.00	45545.00	46795.00	1.00	1.00	46583.00	42929.00	45824.00	46119.00	40003.00	40503.00	43468.00	40054.00	41892.00	40116.00	40248.00	43555.00	32801.00	31772.00
C39 H79 N7	47818.00	51640.00	42970.00	45233.00	45276.00	51689.00	49723.00	41996.00	1.00	1.00	42868.00	45061.00	42425.00	44621.00	41693.00	44006.00	43615.00	42517.00	45664.00	47779.00	47542.00	43730.00	35401.00	33039.00
C11 H3 Cl3 N O4 S2	38012.00	38499.00	25592.00	25273.00	29582.00	31296.00	33969.00	33911.00	18899.00	16818.00	29397.00	32435.00	30452.00	30873.00	19678.00	19883.00	24141.00	24973.00	30285.00	29517.00	24515.00	25102.00	26885.00	25346.00
Malate	33604.00	34118.00	38429.00	34663.00	55977.00	55740.00	36795.00	41156.00	1.00	1.00	40782.00	41996.00	43708.00	45240.00	76489.00	71388.00	56286.00	50934.00	40393.00	40779.00	34963.00	35186.00	44083.00	42472.00
C26 H36 N17 O6	49065.00	49440.00	1.00	1.00	7869.00	7046.00	8400.00	8432.00	27078.00	28806.00	7809.00	1.00	1.00	1.00	8492.00	8714.00	1.00	1.00	6625.00	6756.00	1.00	1.00	17056.00	18760.00
C12 H3 N O2 S3	16928.00	19548.00	31675.00	35551.00	31718.00	27341.00	31416.00	38157.00	1.00	1.00	31172.00	32698.00	29119.00	31050.00	38667.00	38413.00	45739.00	44900.00	30526.00	35563.00	34989.00	33789.00	31210.00	35686.00
PS(18:1(9Z)/18:3(9Z,12Z,15Z))	20527.00	20868.00	21601.00	21591.00	20233.00	20185.00	21332.00	22789.00	1.00	1.00	22766.00	21401.00	21214.00	22212.00	17335.00	19567.00	21988.00	20853.00	20207.00	20596.00	20561.00	21491.00	16573.00	16467.00
C5 O11	25833.00	25437.00	1.00	1.00	27599.00	26512.00	29256.00	30440.00	11106.00	10631.00	23313.00	21857.00	20212.00	21512.00	1.00	1.00	1.00	1.00	40995.00	45613.00	1.00	1.00	17840.00	19172.00
C9 H4 O15	46566.00	45341.00	47542.00	45268.00	49118.00	50720.00	48015.00	46436.00	1.00	1.00	51867.00	50630.00	48381.00	48013.00	46552.00	48029.00	46195.00	48215.00	45988.00	45081.00	51677.00	52946.00	30757.00	33846.00
C10 H7 N S	30350.00	30229.00	31647.00	31047.00	29587.00	27562.00	27303.00	23437.00	17937.00	18760.00	29932.00	29521.00	25466.00	26563.00	26361.00	23273.00	25254.00	25733.00	23765.00	28382.00	24385.00	23977.00	22965.00	22647.00
5-Hydroxymethyl-2-furaldehyde	27615.00	34043.00	15642.00	16176.00	25109.00	23781.00	25130.00	27265.00	20500.00	20581.00	19598.00	23769.00	19137.00	20683.00	16330.00	15193.00	16620.00	17897.00	23343.00	25964.00	19563.00	18847.00	19150.00	16200.00
C25 H55 N22 O9	36299.00	34644.00	38593.00	42334.00	38398.00	39843.00	40408.00	38781.00	1.00	1.00	37036.00	37744.00	38797.00	37968.00	41612.00	39313.00	40293.00	41869.00	36411.00	35242.00	39172.00	39931.00	27556.00	27821.00
(3S,4R)-3,4-Dihydroxycyclohexa-1,5-diene-1,4-dicarboxylate	1.00	1.00	25618.00	25809.00	26592.00	23252.00	14967.00	15719.00	1.00	1.00	1.00	1.00	20299.00	18469.00	40738.00	42355.00	45144.00	48835.00	20392.00	27163.00	39790.00	41449.00	40359.00	42422.00
L-Homotyrosine	44922.00	40975.00	37651.00	42150.00	42334.00	40400.00	37953.00	39230.00	38919.00	39504.00	46625.00	49310.00	41934.00	38670.00	44456.00	40512.00	40127.00	42308.00	42144.00	41381.00	41552.00	36437.00	42706.00	40564.00
C52 H65 O	26920.00	25847.00	34974.00	33602.00	31975.00	33718.00	32569.00	31809.00	1.00	1.00	32615.00	32578.00	30426.00	32785.00	35394.00	30395.00	34479.00	31100.00	30464.00	27153.00	33570.00	32651.00	20429.00	20991.00
C8 H2 N O11 S	1.00	1.00	29978.00	29482.00	6751.00	7890.00	7064.00	7656.00	1.00	1.00	6204.00	6016.00	7606.00	7580.00	45725.00	46495.00	9723.00	10592.00	17056.00	19777.00	10532.00	11685.00	10277.00	12456.00
C18 H4 N4 O6	42767.00	43487.00	39739.00	40432.00	44871.00	44412.00	38653.00	41426.00	1.00	1.00	46598.00	46588.00	39443.00	37861.00	36020.00	38447.00	38538.00	37325.00	42918.00	42248.00	39550.00	39729.00	26934.00	27468.00
C10 H15 N O12 S3	28002.00	26145.00	1.00	1.00	12678.00	13026.00	1.00	1.00	1.00	1.00	1.00	1.00	18707.00	20175.00	39833.00	41020.00	25403.00	22421.00	29686.00	27301.00	28329.00	28021.00	1.00	1.00
Idebenone Metabolite (Benzenedecanoic acid, 2,5-dihydroxy-3,4-dimethoxy-6-methyl-)	15436.00	13252.00	12149.00	11930.00	13459.00	13726.00	16713.00	16872.00	17105.00	17853.00	38926.00	40475.00	14386.00	14024.00	17560.00	17629.00	17402.00	15990.00	13083.00	12963.00	14222.00	13147.00	17111.00	14803.00
C26 H22 N6 O2	33461.00	44478.00	15432.00	17975.00	45274.00	44695.00	43491.00	41492.00	29996.00	28076.00	17081.00	14935.00	23196.00	24560.00	19096.00	20057.00	28564.00	26999.00	16223.00	16886.00	26609.00	24960.00	24517.00	25908.00
C17 Cl2 N O14 S5	37905.00	37631.00	36509.00	36777.00	40695.00	41794.00	41114.00	38957.00	1.00	1.00	41566.00	39625.00	41584.00	40129.00	36083.00	37619.00	38634.00	37093.00	40803.00	40824.00	37259.00	37539.00	31163.00	29587.00
C17 H14 N3 S3	28751.00	34655.00	33376.00	38459.00	31053.00	31096.00	31561.00	31170.00	26884.00	28853.00	29129.00	33283.00	31093.00	32748.00	37808.00	37193.00	31986.00	34084.00	27818.00	30595.00	24918.00	30942.00	29709.00	36752.00
C29 H51 N24	38052.00	36080.00	47645.00	50830.00	44563.00	43953.00	43697.00	43998.00	1.00	1.00	42783.00	43600.00	45040.00	46073.00	48542.00	48474.00	50424.00	49197.00	38774.00	37718.00	47311.00	47603.00	32131.00	31462.00
C46 H87 O	37514.00	36667.00	35922.00	37525.00	39844.00	39312.00	41203.00	44099.00	1.00	1.00	39795.00	40012.00	37035.00	37926.00	35307.00	36388.00	38680.00	33184.00	40136.00	36666.00	35347.00	39393.00	26409.00	26233.00
Orthoform	31741.00	29185.00	44580.00	45668.00	35972.00	37156.00	25002.00	24041.00	1.00	1.00	34972.00	36466.00	30077.00	28532.00	39286.00	36017.00	34206.00	35782.00	30382.00	29274.00	41731.00	40933.00	16294.00	16382.00
C13 H2 O4 S4	38879.00	37534.00	12707.00	17160.00	35665.00	38676.00	37636.00	40198.00	1.00	1.00	31403.00	32448.00	34360.00	33391.00	10046.00	9142.00	16557.00	15286.00	43564.00	39243.00	17078.00	18348.00	27223.00	27241.00
3-Nitrophenol	69095.00	75962.00	62598.00	65223.00	89414.00	66028.00	65248.00	62931.00	58088.00	65462.00	76958.00	78278.00	61485.00	81858.00	61860.00	60206.00	62983.00	72889.00	70798.00	62557.00	87411.00	82619.00	73185.00	73140.00
C14 H Cl3 O6	44288.00	42695.00	42948.00	42262.00	46398.00	44044.00	46523.00	45401.00	1.00	1.00	48276.00	41567.00	47172.00	48859.00	44925.00	45875.00	43515.00	42334.00	46762.00	48141.00	47105.00	48470.00	36615.00	36624.00
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol Esi-13.462004	22358.00	19195.00	22617.00	24508.00	22176.00	24894.00	20979.00	34600.00	19871.00	23083.00	25101.00	25073.00	26079.00	25459.00	27513.00	26654.00	24510.00	26983.00	26562.00	25681.00	30503.00	28831.00	33724.00	26482.00
Uridine Esi-1.28	89333.00	85205.00	124165.00	121210.00	97300.00	101024.00	91522.00	89959.00	7836.00	7899.00	85250.00	90042.00	101350.00	102107.00	104234.00	110297.00	97296.00	93121.00	85209.00	89342.00	92807.00	94728.00	69643.00	70739.00
Juliflorine	36631.00	36585.00	38897.00	40880.00	43231.00	42030.00	37458.00	38543.00	1.00	1.00	37963.00	40669.00	38955.00	41122.00	41026.00	39807.00	42850.00	41505.00	37792.00	38953.00	40809.00	40809.00	28653.00	28960.00
2,2-Dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-benzopyran-7-ol acetate	70304.00	60300.00	58006.00	60751.00	62717.00	62893.00	61653.00	62922.00	63343.00	61963.00	60014.00	59523.00	67434.00	65673.00	57050.00	52882.00	66435.00	64617.00	63846.00	71060.00	65622.00	68202.00	60101.00	58407.00
Pyroglutamic acid Esi-1.5060004	35455.00	35280.00	33317.00	35610.00	40518.00	39011.00	32492.00	32299.00	1.00	1.00	46855.00	47067.00	32092.00	34354.00	35209.00	33122.00	34593.00	34854.00	25955.00	25862.00	21989.00	26361.00	16385.00	15464.00
4-(4-Deoxy-?-D-gluc-4-enuronosyl)-D-galacturonate	53446.00	50754.00	54301.00	53751.00	52980.00	50937.00	51556.00	49937.00	55506.00	48548.00	50246.00	49802.00	53290.00	53377.00	52236.00	53161.00	49147.00	48893.00	48018.00	50137.00	52634.00	51386.00	47670.00	48565.00
C5 H13 N5 O6	41039.00	36540.00	37205.00	43158.00	42700.00	45525.00	40108.00	36382.00	38641.00	45476.00	39094.00	36958.00	35216.00	38052.00	39994.00	39839.00	33756.00	38056.00	37786.00	36091.00	38866.00	40802.00	45115.00	44625.00
C19 H8 N S5	74085.00	74597.00	67825.00	68964.00	76884.00	77826.00	75972.00	73819.00	12507.00	11782.00	74567.00	72408.00	73683.00	78061.00	61969.00	62684.00	65683.00	67272.00	74647.00	76368.00	73915.00	71995.00	62330.00	61155.00
C34 H65 N13 O2	30993.00	29287.00	33903.00	35807.00	32993.00	33628.00	35933.00	33777.00	1.00	1.00	33000.00	35235.00	32181.00	34291.00	34011.00	34522.00	37188.00	33854.00	31460.00	29604.00	38830.00	35261.00	23883.00	23276.00
C30 H43 N28 O	47122.00	46377.00	41451.00	41540.00	41215.00	37798.00	39661.00	40609.00	1.00	1.00	39868.00	38599.00	40671.00	41770.00	45426.00	48435.00	45109.00	43148.00	37224.00	38030.00	40893.00	42283.00	33024.00	32343.00
C25 H56 N3 O17 S	38692.00	33152.00	25188.00	29516.00	26143.00	26136.00	18185.00	18155.00	10512.00	12796.00	18693.00	20741.00	19156.00	20327.00	28233.00	26636.00	19567.00	21144.00	18529.00	18339.00	19151.00	20188.00	25981.00	23788.00
Gal?1-3GlcNAc?-Sp	41167.00	39902.00	23337.00	23095.00	43520.00	37844.00	19388.00	21658.00	48605.00	46558.00	23729.00	22405.00	28523.00	27217.00	25304.00	24620.00	36449.00	34507.00	24932.00	23231.00	30107.00	31667.00	24124.00	22570.00
C30 H67 N18 O7 S	35837.00	34146.00	36911.00	34225.00	39974.00	40745.00	40680.00	39983.00	1.00	1.00	41654.00	39183.00	39075.00	37687.00	37956.00	39318.00	38103.00	35869.00	36704.00	38209.00	37709.00	38631.00	27131.00	27306.00
cis-Chlorobenzene dihydrodiol	48151.00	48486.00	13710.00	14280.00	42531.00	44724.00	42546.00	44645.00	39414.00	36178.00	38638.00	41567.00	34201.00	39260.00	8947.00	10149.00	16942.00	13402.00	47594.00	46405.00	19445.00	17681.00	37416.00	39080.00
C40 H77 N6 O4	37381.00	41034.00	45864.00	44481.00	45876.00	46316.00	45058.00	45838.00	1.00	1.00	47571.00	43217.00	45807.00	47615.00	42197.00	41263.00	45076.00	45590.00	46083.00	44327.00	43542.00	41960.00	34324.00	32293.00
Triamcinolone	61176.00	59249.00	56391.00	57824.00	60105.00	57207.00	58094.00	55427.00	58281.00	60585.00	58021.00	54458.00	61053.00	55722.00	60045.00	53803.00	57963.00	60657.00	63632.00	66794.00	59997.00	60888.00	59226.00	58712.00
C11 H3 Cl3 N O4 S5	42130.00	41644.00	39106.00	39128.00	42498.00	43218.00	42088.00	44598.00	1.00	1.00	44285.00	40780.00	41188.00	44302.00	42105.00	41910.00	40507.00	41525.00	45770.00	38066.00	43185.00	43873.00	32702.00	33585.00
C16 H37 N7 O13 S	21921.00	22763.00	22276.00	26035.00	26024.00	26199.00	24674.00	24007.00	35034.00	41826.00	27407.00	28295.00	25954.00	26589.00	30698.00	31864.00	27833.00	27408.00	22439.00	23681.00	28443.00	26267.00	37473.00	33040.00
C22 H6 N O26	14123.00	14448.00	11218.00	8079.00	14686.00	15723.00	10236.00	10864.00	10032.00	9655.00	10748.00	9207.00	1.00	11403.00	10930.00	1.00	10225.00	13356.00	11564.00	13110.00	12848.00	1.00	1.00	1.00
C10 H14 O9	12217.00	11772.00	14397.00	14600.00	14062.00	13823.00	1.00	1.00	1.00	1.00	1.00	1.00	18470.00	15895.00	42813.00	42228.00	25753.00	25700.00	16769.00	14312.00	41390.00	40064.00	18413.00	20708.00
C8 H4 O6 S	73005.00	72412.00	198160.00	192221.00	178656.00	175658.00	144180.00	142285.00	1.00	1.00	130471.00	139280.00	141294.00	140619.00	369042.00	354063.00	278966.00	280075.00	136840.00	133720.00	243843.00	238976.00	75996.00	82712.00
C22 H47 Cl N5 O	42723.00	37662.00	13999.00	13567.00	36013.00	37705.00	36967.00	36333.00	23912.00	24503.00	31099.00	32125.00	32774.00	30798.00	1.00	1.00	14161.00	14268.00	40436.00	39977.00	19104.00	16529.00	28600.00	29837.00
C13 H4 Cl2 O3 S4	48103.00	47794.00	29624.00	32119.00	35227.00	32454.00	35109.00	36379.00	25060.00	25305.00	39876.00	35843.00	31858.00	32752.00	32624.00	37043.00	28064.00	28890.00	39214.00	38447.00	29198.00	30589.00	32143.00	33662.00
6-Hydroxyangelicin	1.00	1.00	1.00	1.00	10562.00	10056.00	1.00	1.00	1.00	1.00	9335.00	8645.00	24037.00	23280.00	41905.00	42469.00	26147.00	26528.00	6646.00	7404.00	21664.00	25280.00	19228.00	21130.00
C11 H18 N3 O3	34435.00	32452.00	30765.00	30931.00	42748.00	39775.00	33006.00	32922.00	35164.00	37135.00	39813.00	38704.00	31323.00	29795.00	33772.00	32579.00	35781.00	33552.00	42193.00	41306.00	31881.00	32007.00	31170.00	29649.00
C22 H28 N5 O7	35676.00	35711.00	36382.00	33388.00	34551.00	34092.00	35513.00	29879.00	34541.00	31904.00	25903.00	27352.00	33482.00	29934.00	26163.00	29977.00	27679.00	26554.00	29889.00	26573.00	32902.00	30539.00	34529.00	32538.00
C42 H83 N7 O2	37126.00	33577.00	34288.00	34711.00	37442.00	36829.00	38471.00	37447.00	1.00	1.00	37075.00	41101.00	37613.00	38830.00	35429.00	34005.00	36653.00	34773.00	33880.00	39820.00	35452.00	36884.00	29362.00	27075.00
N-Acetyl-b-neuraminic acid	8484.00	8279.00	14074.00	13922.00	35145.00	7002.00	28368.00	37413.00	1.00	1.00	35383.00	29726.00	31739.00	7058.00	17724.00	21195.00	13622.00	15538.00	37676.00	30630.00	12969.00	13189.00	25778.00	25655.00
C12 H2 O3 S3	43704.00	42325.00	10444.00	10466.00	30299.00	25093.00	36529.00	32064.00	21223.00	20166.00	35116.00	33582.00	28678.00	26313.00	1.00	1.00	1.00	1.00	34587.00	31451.00	9570.00	1.00	21041.00	28523.00
Tetrasul	12270.00	9277.00	9529.00	10920.00	11322.00	10396.00	12822.00	14130.00	13398.00	15535.00	10905.00	15228.00	13011.00	12889.00	25270.00	31787.00	9129.00	10435.00	16344.00	16938.00	10962.00	10477.00	14807.00	18505.00
Isocitric acid	51948.00	51005.00	46490.00	44214.00	54475.00	53223.00	49045.00	52700.00	1.00	1.00	60867.00	60922.00	43877.00	46778.00	42095.00	33713.00	21692.00	29743.00	30463.00	28672.00	29380.00	20219.00	31269.00	22569.00
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol Esi-9.334	17827.00	16900.00	13409.00	26140.00	15217.00	16799.00	14712.00	13584.00	16687.00	18366.00	19277.00	15954.00	19633.00	16896.00	13737.00	19318.00	15895.00	12611.00	77098.00	52024.00	26833.00	16487.00	20246.00	31580.00
C38 H78 Cl N3 O	25572.00	28135.00	33738.00	29851.00	27550.00	34284.00	30910.00	30378.00	1.00	1.00	28799.00	28973.00	31054.00	32218.00	33451.00	35612.00	35367.00	31918.00	27163.00	29960.00	32427.00	31550.00	24435.00	22453.00
C30 H63 N10 O11	27549.00	27971.00	34948.00	36403.00	32257.00	32343.00	29624.00	31407.00	1.00	1.00	30277.00	35828.00	33531.00	33102.00	35497.00	35147.00	35374.00	36069.00	28392.00	26551.00	36906.00	35113.00	21046.00	22528.00
C46 H85 N6 O3	43617.00	38572.00	36528.00	34125.00	41215.00	40670.00	44186.00	40007.00	1.00	1.00	40607.00	39011.00	40696.00	39798.00	33714.00	35856.00	37616.00	34481.00	40835.00	44456.00	38891.00	36838.00	29774.00	30144.00
C46 H67 N9 O3	35781.00	40814.00	40454.00	37118.00	39371.00	38901.00	36396.00	43230.00	1.00	1.00	43803.00	49871.00	43001.00	46341.00	41774.00	40568.00	44366.00	41347.00	44259.00	44412.00	40435.00	42002.00	28911.00	28937.00
Benfuresate	35866.00	32285.00	34964.00	37669.00	30904.00	32668.00	30644.00	33504.00	35340.00	42717.00	25474.00	27912.00	28635.00	27333.00	27935.00	28055.00	24495.00	26609.00	24949.00	26216.00	26131.00	27624.00	35669.00	35278.00
Promacyl	39654.00	39509.00	40630.00	38703.00	36138.00	38736.00	37122.00	38485.00	35090.00	38710.00	32420.00	30052.00	34712.00	34899.00	33857.00	33237.00	34664.00	32557.00	34528.00	34777.00	34149.00	35333.00	32691.00	33257.00
C13 H2 O4 Esi-0.8199998	173278.00	188192.00	112290.00	109395.00	202854.00	204642.00	214852.00	205678.00	103739.00	98859.00	229533.00	196963.00	220296.00	233719.00	93396.00	100091.00	141243.00	140836.00	289201.00	281645.00	175864.00	173268.00	229053.00	240034.00
C27 H26 N23	43640.00	43942.00	3654.00	2858.00	6420.00	5510.00	6012.00	5930.00	21667.00	22276.00	5144.00	4328.00	4060.00	3863.00	7548.00	7725.00	3411.00	4055.00	4891.00	4402.00	2469.00	1.00	16259.00	14378.00
C3 H2 O4 S2	23547.00	23697.00	21472.00	22745.00	27354.00	32296.00	29327.00	31200.00	1.00	1.00	25696.00	27518.00	28539.00	24288.00	26978.00	27829.00	23515.00	20774.00	28889.00	28774.00	25290.00	19782.00	9851.00	12429.00
C34 H73 N11	34656.00	30945.00	38932.00	32114.00	37337.00	36576.00	40354.00	41297.00	1.00	1.00	34747.00	38337.00	38508.00	40154.00	38389.00	37606.00	36792.00	35954.00	41500.00	35005.00	35564.00	35208.00	24822.00	25564.00
3-methyl-adipic acid	20991.00	19688.00	17084.00	19107.00	21136.00	20077.00	19275.00	19403.00	22322.00	21920.00	21060.00	21791.00	19421.00	19976.00	22834.00	21396.00	17949.00	16861.00	19040.00	19884.00	18954.00	19393.00	26463.00	23678.00
C6 H7 N4 O5	35947.00	35131.00	32640.00	30578.00	35968.00	33656.00	28589.00	28759.00	1.00	1.00	27929.00	24601.00	29170.00	29169.00	39505.00	38461.00	39981.00	42314.00	32871.00	34348.00	38654.00	36772.00	29747.00	28016.00
C33 H71 N16 O	41591.00	41201.00	40385.00	43688.00	39599.00	41700.00	44836.00	44966.00	1.00	1.00	41748.00	44109.00	40626.00	44775.00	39931.00	39072.00	45191.00	39262.00	40572.00	42880.00	42858.00	40861.00	32762.00	30188.00
C39 H75 N15	38811.00	41679.00	35626.00	32074.00	41454.00	40989.00	38272.00	34976.00	1.00	1.00	37128.00	40596.00	39820.00	38717.00	32397.00	37285.00	35120.00	34794.00	42897.00	37716.00	34417.00	35084.00	31070.00	28743.00
C39 H55 N15	29119.00	30997.00	41641.00	40419.00	35847.00	37821.00	35375.00	37113.00	1.00	1.00	33432.00	36475.00	36328.00	39425.00	43048.00	41342.00	41841.00	41382.00	29010.00	32956.00	35941.00	38881.00	24385.00	25090.00
Asp Gly Asp	37461.00	35920.00	30079.00	29345.00	27804.00	26996.00	19955.00	21925.00	10045.00	1.00	21660.00	23179.00	21486.00	20335.00	19334.00	18476.00	27060.00	26852.00	24712.00	23653.00	20113.00	22231.00	16981.00	18355.00
L-Tryptophan	38133.00	34601.00	16490.00	16439.00	15240.00	14558.00	12855.00	12025.00	14210.00	13139.00	8065.00	9992.00	17939.00	17941.00	23657.00	24078.00	17122.00	16555.00	14878.00	18362.00	14825.00	15046.00	13354.00	13960.00
C36 H71 N20	34578.00	32344.00	32770.00	33587.00	34735.00	35602.00	41222.00	38229.00	1.00	1.00	34765.00	39476.00	34907.00	34588.00	31916.00	34236.00	31398.00	31118.00	32616.00	40241.00	32711.00	34158.00	26799.00	27143.00
C23 H16 N15 O9	16536.00	14224.00	11088.00	9692.00	16937.00	16652.00	9570.00	9867.00	33051.00	31574.00	17954.00	17287.00	22094.00	21834.00	17217.00	17602.00	12927.00	12424.00	1.00	7484.00	8975.00	8484.00	10832.00	11796.00
C25 H55 N28 O2 S	26743.00	33208.00	38098.00	35040.00	37511.00	35187.00	41142.00	40804.00	1.00	1.00	38549.00	34940.00	37660.00	37215.00	37861.00	39962.00	43166.00	33057.00	36337.00	35087.00	37700.00	38687.00	24378.00	28034.00
C37 H69 N12 O	26758.00	27413.00	26950.00	28299.00	29122.00	30491.00	27753.00	31699.00	1.00	1.00	26768.00	27339.00	29841.00	26409.00	27291.00	27483.00	28715.00	26548.00	26906.00	25107.00	29274.00	27650.00	19994.00	19296.00
C40 H73 N O3	27465.00	27883.00	35091.00	35462.00	32253.00	32272.00	28127.00	29094.00	1.00	1.00	31270.00	33222.00	31424.00	27500.00	38972.00	34286.00	36375.00	34283.00	25317.00	30881.00	32777.00	32752.00	21478.00	21270.00
(E)-4-Nitrostilbene	41696.00	34770.00	33208.00	32445.00	38950.00	39233.00	33407.00	33251.00	33459.00	33818.00	31424.00	29100.00	31464.00	31278.00	30833.00	29773.00	32232.00	33262.00	28146.00	33248.00	33886.00	34795.00	38129.00	36298.00
C35 H67 N11 O	39325.00	38357.00	34338.00	35660.00	40529.00	39102.00	39473.00	38351.00	1.00	1.00	39134.00	41496.00	38172.00	41371.00	41978.00	39119.00	41631.00	39070.00	35543.00	37571.00	37156.00	38589.00	29517.00	28224.00
4-Hydroxybenzenesulfonic acid Esi-4.064001	32293.00	38161.00	15007.00	15926.00	12417.00	13082.00	1.00	7733.00	16602.00	14018.00	14874.00	15054.00	17748.00	18979.00	25070.00	27076.00	19387.00	21038.00	19031.00	19128.00	20300.00	18276.00	13274.00	11612.00
C15 H18 N12 O4	33117.00	31003.00	31218.00	28182.00	33419.00	31126.00	30734.00	28281.00	28909.00	30070.00	23236.00	20213.00	25113.00	23813.00	21912.00	25535.00	23761.00	22958.00	26644.00	24966.00	24195.00	26607.00	29629.00	29400.00
2methyl-3-ketovaleric acid	67552.00	65229.00	43550.00	47304.00	65391.00	64470.00	64495.00	59347.00	1.00	1.00	54043.00	53844.00	60508.00	56654.00	73660.00	67660.00	84448.00	85353.00	52301.00	53351.00	73865.00	66760.00	44927.00	43634.00
Nonate	27855.00	27948.00	26323.00	27180.00	28838.00	30569.00	29649.00	26846.00	37799.00	39842.00	27243.00	31174.00	27365.00	25917.00	30787.00	30726.00	29259.00	26553.00	27349.00	29047.00	25828.00	26425.00	26404.00	26951.00
C13 H10 N4 O7	52358.00	50053.00	48900.00	45979.00	49618.00	52361.00	47469.00	46021.00	48427.00	47425.00	46306.00	45260.00	45199.00	43866.00	47428.00	43012.00	48236.00	38919.00	46486.00	46951.00	44152.00	44140.00	48054.00	46720.00
C11 H3 N2 O2 S3	14330.00	14855.00	23673.00	24530.00	20934.00	20924.00	21809.00	27427.00	1.00	1.00	21183.00	27969.00	22097.00	23728.00	27576.00	25477.00	32569.00	31503.00	24063.00	22677.00	22843.00	26941.00	21383.00	24603.00
Diisobutyl phthalate	33318.00	33153.00	32097.00	33145.00	34345.00	34118.00	32293.00	33608.00	35647.00	33415.00	32178.00	28841.00	33545.00	34250.00	30016.00	32110.00	29712.00	32428.00	32571.00	32810.00	35154.00	28808.00	31179.00	32927.00
C35 H75 N13 O4	37142.00	34859.00	35786.00	37564.00	43749.00	38458.00	40272.00	45130.00	1.00	1.00	38383.00	41178.00	37295.00	36769.00	34189.00	34338.00	38921.00	38010.00	39978.00	36609.00	38603.00	35866.00	33651.00	30382.00
C9 H2 N3 O7 S	24275.00	24579.00	15102.00	15482.00	31430.00	30071.00	32483.00	35026.00	1.00	1.00	28290.00	26269.00	25179.00	22340.00	15612.00	16351.00	17471.00	19278.00	36374.00	36499.00	15766.00	14296.00	18008.00	19696.00
15-hydroxy stearic acid	42337.00	45098.00	39661.00	40206.00	131038.00	33123.00	47682.00	43532.00	48905.00	41642.00	36519.00	41591.00	45319.00	41487.00	38558.00	38141.00	50827.00	38330.00	43018.00	41847.00	39982.00	46213.00	41769.00	37318.00
C45 H67 N16	38521.00	42837.00	36594.00	39417.00	40129.00	38538.00	38320.00	37648.00	1.00	1.00	41444.00	41511.00	41757.00	45196.00	36600.00	37093.00	39240.00	39548.00	43213.00	44956.00	39541.00	38088.00	30767.00	26789.00
C11 H7 N7 O10	35460.00	33913.00	35480.00	32904.00	34846.00	33743.00	34884.00	33880.00	33051.00	32384.00	30004.00	32829.00	33541.00	33512.00	31640.00	29941.00	32500.00	29389.00	32835.00	32673.00	29066.00	31441.00	31051.00	31339.00
C8 H4 N4 O9 S	50493.00	52546.00	54735.00	50834.00	54005.00	53224.00	52652.00	53813.00	15662.00	14861.00	57269.00	56352.00	55202.00	56960.00	55446.00	53441.00	53977.00	53811.00	59787.00	55938.00	55861.00	58408.00	51755.00	48268.00
C8 H2 O9 S	29270.00	34773.00	36424.00	37880.00	34275.00	34744.00	29935.00	32213.00	1.00	1.00	35066.00	36861.00	33804.00	31860.00	34089.00	36635.00	36112.00	36064.00	32336.00	30656.00	35784.00	40266.00	21320.00	22413.00
C11 H4 N2 O4 S	34291.00	35021.00	30996.00	27549.00	31472.00	35659.00	32104.00	30724.00	1.00	1.00	31632.00	28335.00	33520.00	33114.00	28329.00	32516.00	31632.00	32921.00	31467.00	32934.00	30806.00	31859.00	30508.00	31377.00
C29 H61 N20	22159.00	25724.00	26813.00	29084.00	26162.00	29078.00	24231.00	29127.00	1.00	1.00	26614.00	28020.00	30197.00	28763.00	30855.00	29454.00	30604.00	28048.00	24815.00	24899.00	27550.00	27237.00	17864.00	21019.00
C40 H71 N8 O2	27965.00	29478.00	28961.00	31159.00	33014.00	27555.00	31426.00	32012.00	1.00	1.00	32559.00	33868.00	29779.00	31135.00	34961.00	29117.00	29340.00	32517.00	29052.00	31379.00	32326.00	31342.00	18160.00	23607.00
Sulfamethopyrazine	34671.00	33651.00	24778.00	27475.00	24122.00	25332.00	15515.00	16484.00	1.00	1.00	19204.00	17442.00	17616.00	15163.00	14818.00	17142.00	24308.00	23609.00	22817.00	19797.00	16783.00	18257.00	12009.00	12873.00
C7 H5 O13	27766.00	27739.00	31609.00	30101.00	34449.00	33918.00	33203.00	34142.00	28674.00	25748.00	33830.00	35680.00	37151.00	37789.00	37043.00	33847.00	31016.00	33821.00	31478.00	33035.00	32893.00	33515.00	32102.00	29197.00
C36 H79 N10 O4	30473.00	27333.00	25993.00	27114.00	28072.00	27568.00	27779.00	29613.00	1.00	1.00	25509.00	25321.00	25706.00	27302.00	25933.00	26382.00	26517.00	25683.00	24735.00	26257.00	27204.00	24658.00	19795.00	21320.00
C6 H7 N4 O5 Esi-3.9250007	37363.00	33351.00	20638.00	24702.00	32997.00	32758.00	24167.00	22172.00	1.00	1.00	21414.00	19790.00	27304.00	26416.00	35155.00	34081.00	37112.00	34300.00	25138.00	25915.00	33531.00	32149.00	25248.00	23163.00
C6 H6 O7 S2	39743.00	46921.00	41218.00	39997.00	46831.00	44808.00	47552.00	44814.00	8272.00	8136.00	48149.00	45092.00	44839.00	47962.00	30518.00	31436.00	43148.00	43759.00	53539.00	53371.00	34065.00	35669.00	43103.00	37545.00
C40 H81 N12 O2	39948.00	38032.00	32904.00	34398.00	38159.00	37357.00	39092.00	39505.00	1.00	1.00	37247.00	37896.00	37366.00	38036.00	31478.00	30339.00	31322.00	32384.00	38683.00	38526.00	34548.00	37925.00	28868.00	29290.00
C36 H53 N28 O3	32848.00	28860.00	32453.00	29947.00	34346.00	34709.00	31657.00	35357.00	1.00	1.00	35659.00	40152.00	33394.00	34420.00	29475.00	32080.00	32363.00	32008.00	35547.00	36308.00	34297.00	33245.00	24278.00	25251.00
C6 H8 N2 O5 S	74640.00	74836.00	54364.00	33785.00	61310.00	32012.00	46031.00	49866.00	1.00	1.00	59370.00	39850.00	68175.00	33989.00	112652.00	112100.00	26195.00	38325.00	55241.00	75808.00	58746.00	38817.00	45203.00	43794.00
L-Histidine	36942.00	36175.00	33337.00	31644.00	23949.00	24283.00	23948.00	21297.00	10964.00	10722.00	16085.00	16015.00	26952.00	26500.00	27325.00	30098.00	25807.00	25003.00	29280.00	28891.00	25070.00	24038.00	26646.00	24637.00
C16 H16 N3 O18 S	47310.00	44013.00	48759.00	44713.00	50519.00	47884.00	49863.00	47356.00	41943.00	51413.00	48076.00	51751.00	49435.00	44423.00	51746.00	50027.00	52332.00	47871.00	49572.00	52915.00	51777.00	53252.00	48818.00	48856.00
Ascorbate 2-sulfate	18295.00	19869.00	14087.00	14917.00	18870.00	20724.00	16898.00	16576.00	1.00	1.00	11675.00	12006.00	18246.00	16494.00	38374.00	40090.00	24774.00	24348.00	13126.00	14680.00	21659.00	21995.00	13698.00	13273.00
C37 H81 N12 O2	27053.00	26260.00	26868.00	27114.00	28034.00	27873.00	27985.00	29441.00	1.00	1.00	29129.00	29394.00	28666.00	28020.00	24310.00	24608.00	26910.00	25473.00	27016.00	28310.00	26158.00	26795.00	20892.00	18906.00
C4 H6 Cl2 N4 O3 S3	38056.00	39132.00	27442.00	30520.00	31984.00	32946.00	32944.00	35725.00	30455.00	31125.00	34213.00	34278.00	31655.00	31632.00	28321.00	28636.00	28614.00	29243.00	33131.00	34697.00	29692.00	28079.00	30678.00	31634.00
Stearic acid	27855.00	34262.00	30384.00	33240.00	29975.00	36080.00	29116.00	32424.00	31253.00	32962.00	33832.00	31662.00	33343.00	30945.00	34091.00	34543.00	26786.00	27210.00	29534.00	29543.00	31100.00	30579.00	34166.00	33647.00
C10 H8 N O3 S	12459.00	29180.00	47114.00	22665.00	42350.00	42753.00	17537.00	27760.00	1.00	1.00	14660.00	29311.00	41994.00	42268.00	46294.00	26071.00	21289.00	22824.00	34376.00	19627.00	18093.00	16833.00	12949.00	13073.00
Glucoraphenin	19477.00	18738.00	17151.00	15392.00	24357.00	26617.00	15062.00	15196.00	25448.00	24109.00	33591.00	33609.00	20735.00	21734.00	23898.00	24987.00	12718.00	12321.00	8817.00	9439.00	16346.00	14370.00	8536.00	9893.00
2,4-Dichloro-3-oxoadipate	1.00	5928.00	14526.00	12719.00	17369.00	15707.00	13915.00	13680.00	1.00	1.00	13556.00	12638.00	15379.00	17947.00	25897.00	27078.00	26218.00	27463.00	18088.00	17233.00	23013.00	23340.00	9640.00	9044.00
3-Epihydroxymugineic acid	24138.00	23370.00	13810.00	13133.00	24404.00	23859.00	9188.00	8966.00	30757.00	33030.00	10291.00	9571.00	16074.00	15944.00	11505.00	12730.00	18825.00	19058.00	1.00	11757.00	16035.00	18120.00	13595.00	13348.00
(-)-Deltoin	1.00	1.00	21542.00	17200.00	27149.00	28119.00	39347.00	42636.00	42611.00	40851.00	44384.00	38552.00	36971.00	32420.00	46606.00	42503.00	39969.00	37659.00	31793.00	36882.00	35323.00	34116.00	31632.00	32462.00
N-Methyl-(R,S)-tetrahydrobenzylisoquinoline	31408.00	29595.00	23930.00	24226.00	25672.00	24955.00	24036.00	25375.00	27918.00	29983.00	23051.00	24647.00	26694.00	27979.00	30154.00	30652.00	28450.00	28339.00	26998.00	30078.00	29948.00	30000.00	30597.00	30825.00
C8 H10 N3 O9 S	12841.00	16271.00	42057.00	44833.00	27785.00	25033.00	17924.00	21677.00	8661.00	9449.00	32728.00	18774.00	28483.00	31479.00	35985.00	46689.00	50322.00	48891.00	46671.00	28552.00	27637.00	26676.00	49991.00	28097.00
C6 O12	22078.00	23720.00	18254.00	14675.00	23858.00	20232.00	23134.00	27441.00	18353.00	7803.00	20183.00	17593.00	16964.00	16655.00	20610.00	21546.00	10946.00	18530.00	36014.00	38247.00	17165.00	20256.00	26570.00	17051.00
Orthoform Esi-1.5130004	23928.00	22663.00	32200.00	34606.00	28786.00	27255.00	19154.00	18534.00	1.00	1.00	25724.00	28839.00	20839.00	20638.00	27233.00	29359.00	28795.00	27809.00	20761.00	21643.00	32493.00	31983.00	9899.00	10788.00
17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carboxylic acid, gamma-lactone Esi-11.7109995	24084.00	32480.00	33123.00	41866.00	29779.00	37772.00	39034.00	34682.00	33578.00	39814.00	20163.00	17858.00	35462.00	40755.00	30407.00	40692.00	29246.00	34511.00	32778.00	36716.00	36502.00	29580.00	32636.00	32081.00
C46 H85 N4	25862.00	26810.00	28511.00	30092.00	28687.00	28052.00	27476.00	29034.00	1.00	1.00	26071.00	25675.00	28015.00	29869.00	26658.00	27406.00	27481.00	28000.00	29190.00	30749.00	25970.00	27096.00	23355.00	24329.00
C38 H61 N17	31441.00	30179.00	30764.00	32191.00	33453.00	35773.00	33802.00	35469.00	1.00	1.00	37233.00	34986.00	34063.00	32349.00	30956.00	32535.00	33707.00	37544.00	30503.00	30821.00	34301.00	33980.00	19685.00	24881.00
C11 H14 N2 O8	34298.00	32485.00	31756.00	28723.00	30421.00	30628.00	31662.00	32341.00	32514.00	31664.00	30963.00	28436.00	29215.00	28651.00	31247.00	28948.00	29110.00	28955.00	29659.00	27449.00	29693.00	28236.00	30836.00	30174.00
Aureothin	31752.00	22273.00	28869.00	31773.00	32277.00	34449.00	30468.00	32359.00	31148.00	30787.00	32311.00	34483.00	31171.00	33925.00	34147.00	32032.00	32324.00	33603.00	37663.00	37314.00	33453.00	33620.00	39885.00	33049.00
Gal?1-3GlcNAc?-Sp Esi-10.5390005	29126.00	34544.00	16162.00	16139.00	28895.00	30150.00	14746.00	14999.00	27723.00	25470.00	18181.00	17943.00	18850.00	20392.00	16696.00	14066.00	22515.00	23763.00	16205.00	13517.00	19367.00	18235.00	12644.00	13059.00
C22 H29 N6 O10	32897.00	31892.00	30348.00	26686.00	31087.00	32663.00	25889.00	27090.00	30344.00	24531.00	28804.00	32966.00	26424.00	26586.00	26891.00	28264.00	25932.00	26439.00	27706.00	27164.00	29636.00	33508.00	27027.00	27033.00
C13 H10 N4 O6 S	27374.00	27720.00	24637.00	24676.00	25423.00	26926.00	24009.00	21553.00	1.00	1.00	29685.00	32096.00	22168.00	22170.00	23176.00	20730.00	24285.00	24066.00	26878.00	23894.00	21419.00	26256.00	17477.00	17850.00
C43 H87 N6 O	26355.00	29291.00	24769.00	26658.00	28179.00	34348.00	34318.00	28264.00	1.00	1.00	34247.00	32180.00	26772.00	29857.00	26552.00	21707.00	28235.00	28582.00	34751.00	33709.00	26494.00	28281.00	23885.00	22520.00
C42 H79 N2 O2	32544.00	30427.00	31471.00	31649.00	34435.00	36845.00	34031.00	36705.00	1.00	1.00	33813.00	34219.00	31831.00	35723.00	33146.00	31677.00	30693.00	31620.00	33902.00	29765.00	30361.00	31616.00	24459.00	23948.00
C33 H59 N25 O	34779.00	34533.00	33360.00	32007.00	33317.00	33194.00	32738.00	33356.00	1.00	1.00	32454.00	36701.00	36094.00	38181.00	34863.00	33392.00	34494.00	32945.00	36629.00	37625.00	36650.00	36382.00	28551.00	27819.00
C30 H65 N25	32167.00	27889.00	28066.00	28911.00	29928.00	30721.00	30910.00	33494.00	1.00	1.00	29012.00	29776.00	32484.00	29613.00	29480.00	30912.00	28875.00	30176.00	31427.00	35600.00	30404.00	26570.00	25248.00	26269.00
C10 H4 N O12	29589.00	32074.00	30098.00	33241.00	31571.00	32833.00	30005.00	30575.00	1.00	1.00	31159.00	34088.00	30222.00	29829.00	31129.00	33975.00	30783.00	30659.00	31059.00	30491.00	35192.00	36921.00	21121.00	17891.00
C20 H Cl3 N2 O2 S2	27171.00	27362.00	27948.00	25828.00	30298.00	30301.00	27637.00	29721.00	1.00	1.00	33544.00	31235.00	30598.00	32578.00	29400.00	30432.00	30270.00	31321.00	33752.00	34995.00	33446.00	33116.00	28471.00	28400.00
C38 H83 N14	25425.00	25314.00	25970.00	25389.00	25965.00	27005.00	26036.00	27250.00	1.00	1.00	27693.00	27927.00	25681.00	26282.00	23402.00	23383.00	24262.00	22283.00	23926.00	27713.00	26183.00	25293.00	21881.00	20672.00
C32 H69 N19 O	29042.00	30254.00	32927.00	29850.00	29041.00	33766.00	34644.00	30314.00	1.00	1.00	35493.00	31077.00	30193.00	31655.00	29951.00	30386.00	29016.00	30181.00	31861.00	33089.00	29662.00	29730.00	25266.00	21038.00
Galbeta-Cer(d18:1/16:0)	30881.00	27100.00	30752.00	27970.00	29196.00	30975.00	27375.00	30058.00	1.00	1.00	31164.00	26768.00	29380.00	31490.00	30228.00	31790.00	31667.00	30125.00	28348.00	28011.00	31445.00	28173.00	22417.00	22120.00
17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-(hydrogensuccinate)	14464.00	15054.00	33299.00	36154.00	12774.00	12842.00	26369.00	26523.00	16149.00	15346.00	8621.00	8237.00	12175.00	12833.00	9385.00	9284.00	13853.00	15059.00	8494.00	9993.00	13571.00	13634.00	13706.00	12091.00
C32 H67 N5 O18	24122.00	21375.00	26188.00	26524.00	25534.00	25521.00	25280.00	23680.00	1.00	1.00	25177.00	23784.00	24466.00	26140.00	27413.00	27230.00	26627.00	24507.00	23040.00	21872.00	25304.00	25954.00	18120.00	17939.00
C16 H10 N4 O S Esi-0.92200035	43075.00	40620.00	25127.00	24879.00	42149.00	44739.00	48663.00	49904.00	60675.00	65733.00	39842.00	44041.00	34423.00	36124.00	26765.00	25992.00	35238.00	30092.00	57986.00	55551.00	34791.00	35977.00	44539.00	43715.00
Robustine	34468.00	33621.00	30866.00	31155.00	30790.00	29885.00	30724.00	30753.00	32732.00	31487.00	28392.00	28135.00	29203.00	29120.00	30079.00	29474.00	26634.00	29442.00	27857.00	30072.00	31211.00	27930.00	27499.00	28073.00
C10 H28 N4 O10	25438.00	26053.00	24829.00	26753.00	23077.00	25620.00	22595.00	22802.00	29828.00	33211.00	18841.00	21085.00	21313.00	19538.00	21803.00	22614.00	18311.00	19978.00	19998.00	19877.00	21130.00	22151.00	28314.00	31313.00
Gln Pro	18149.00	17227.00	12392.00	12793.00	19453.00	21296.00	18614.00	17926.00	1.00	1.00	14288.00	12357.00	16314.00	15819.00	22978.00	23666.00	28639.00	30047.00	26823.00	25541.00	31395.00	33301.00	32222.00	33883.00
C16 H16 N O13 S	35403.00	32611.00	32163.00	32377.00	34397.00	37032.00	36490.00	35944.00	35890.00	31594.00	32332.00	33595.00	36099.00	35113.00	34689.00	37782.00	30679.00	34814.00	34424.00	33543.00	33832.00	34520.00	33178.00	35391.00
C19 H13 N O16 S	41156.00	100123.00	38209.00	38608.00	38889.00	39716.00	38901.00	38282.00	93077.00	29066.00	36168.00	35672.00	35558.00	35100.00	35664.00	40854.00	97048.00	36434.00	37373.00	34421.00	38116.00	36263.00	37925.00	37152.00
C42 H71 N17	22622.00	27548.00	26539.00	23163.00	30249.00	31606.00	29876.00	29285.00	1.00	1.00	30685.00	26375.00	27121.00	29050.00	20449.00	23245.00	22673.00	29884.00	30257.00	34206.00	31004.00	28864.00	21622.00	23674.00
C46 H93 N6 O	25779.00	28575.00	23777.00	24818.00	28245.00	27728.00	27391.00	25656.00	1.00	1.00	26694.00	25150.00	27926.00	27212.00	23160.00	21048.00	22627.00	21536.00	27763.00	28513.00	24829.00	24900.00	23879.00	22715.00
PS(20:0/17:2(9Z,12Z))	30153.00	29821.00	32267.00	32476.00	32883.00	32414.00	34329.00	35864.00	1.00	1.00	33126.00	32539.00	33523.00	30812.00	32050.00	31030.00	32820.00	33244.00	34457.00	36124.00	34189.00	33720.00	25379.00	26872.00
alpha-Ketoglutaric acid	51987.00	29293.00	46514.00	25895.00	207135.00	205067.00	183105.00	188413.00	1.00	1.00	189920.00	182758.00	53078.00	177916.00	42956.00	35460.00	30112.00	28766.00	170647.00	159579.00	29380.00	20652.00	92109.00	90817.00
C12 H11 N O5	35104.00	36671.00	13065.00	12767.00	15467.00	14986.00	20815.00	19120.00	1.00	1.00	8208.00	7550.00	24080.00	24759.00	16251.00	17256.00	10275.00	10498.00	1.00	1.00	1.00	1.00	1.00	1.00
C36 H77 N6 O15	23924.00	24247.00	27501.00	24245.00	27586.00	28513.00	25882.00	26463.00	1.00	1.00	27220.00	24835.00	27465.00	28495.00	24956.00	24850.00	23901.00	24014.00	24357.00	24603.00	26015.00	23859.00	17375.00	18925.00
C40 H73 N10 O	23134.00	22393.00	23786.00	22864.00	26899.00	25651.00	24010.00	23437.00	1.00	1.00	24993.00	25881.00	24511.00	26620.00	22885.00	24150.00	23552.00	20833.00	24245.00	25275.00	23985.00	23176.00	19295.00	16390.00
C38 H81 N6 O2	29671.00	30144.00	30110.00	31332.00	31228.00	33802.00	34253.00	33024.00	1.00	1.00	31753.00	30287.00	31275.00	31436.00	30174.00	30676.00	29792.00	29407.00	33567.00	30898.00	32804.00	31235.00	22636.00	25207.00
C11 H7 N3 O6 S	15358.00	15141.00	21730.00	24209.00	22618.00	22593.00	14492.00	17317.00	1.00	1.00	12476.00	14701.00	18474.00	19564.00	28067.00	25257.00	23453.00	26040.00	14809.00	13321.00	25685.00	25048.00	9061.00	9605.00
C49 H69 N5	25783.00	27489.00	29964.00	28971.00	31533.00	27201.00	28581.00	29347.00	1.00	1.00	31931.00	27313.00	28278.00	26785.00	26454.00	27867.00	30373.00	24801.00	29449.00	28991.00	29171.00	29580.00	19953.00	20445.00
C55 H67 N5 O S3	23748.00	30264.00	24690.00	26587.00	29257.00	27368.00	30914.00	31476.00	1.00	1.00	25538.00	32436.00	27619.00	26086.00	27518.00	27940.00	27114.00	27425.00	28497.00	27494.00	30871.00	29441.00	21837.00	22978.00
S-Sulfanylglutathione	18359.00	18429.00	21757.00	20352.00	22988.00	25081.00	19635.00	19976.00	1.00	1.00	14096.00	15163.00	20457.00	20913.00	29212.00	28336.00	23715.00	24926.00	17441.00	17008.00	26793.00	26663.00	13149.00	12212.00
C10 H Cl3 O9 S4	28019.00	28394.00	19605.00	17634.00	20318.00	20405.00	19391.00	23343.00	7223.00	6867.00	21970.00	21028.00	21058.00	18347.00	14658.00	17490.00	16681.00	16528.00	20307.00	24214.00	16709.00	21210.00	16552.00	17923.00
C4 H11 N O4 S	19110.00	17713.00	7365.00	6938.00	14909.00	14644.00	15173.00	14284.00	1.00	1.00	11110.00	11331.00	9337.00	10269.00	1.00	1.00	7667.00	6949.00	13896.00	14038.00	6990.00	10333.00	9528.00	9936.00
C41 H73 O	22579.00	24318.00	22963.00	22961.00	20529.00	22315.00	21402.00	21743.00	1.00	1.00	21561.00	21857.00	23043.00	23468.00	25326.00	24865.00	22789.00	22949.00	21034.00	21900.00	24652.00	21375.00	17713.00	16175.00
C22 H23 N13 O5	30534.00	30129.00	28429.00	28439.00	27210.00	28968.00	30059.00	29922.00	28129.00	27923.00	31848.00	31817.00	31155.00	31060.00	34802.00	32812.00	31567.00	28037.00	30261.00	30964.00	29319.00	29324.00	30219.00	29291.00
C36 H73 N O15 S2	31883.00	30580.00	34435.00	36778.00	32653.00	32023.00	30514.00	30583.00	1.00	1.00	31194.00	32662.00	34726.00	30826.00	34871.00	37311.00	33888.00	34707.00	29605.00	26556.00	35458.00	34057.00	23130.00	22055.00
C3 H4 O2 Esi-1.2719998	27066.00	28968.00	32150.00	39350.00	38421.00	31685.00	31324.00	30701.00	1.00	1.00	26821.00	19669.00	31572.00	31681.00	44433.00	30096.00	30716.00	25832.00	31430.00	24513.00	34252.00	24864.00	29873.00	23846.00
C16 H22 N9 O Esi-8.735	181062.00	182283.00	184211.00	163934.00	177453.00	180588.00	183906.00	167463.00	183768.00	168923.00	187548.00	182501.00	173867.00	171761.00	181958.00	180475.00	170749.00	166991.00	169804.00	173973.00	174176.00	171911.00	184692.00	176621.00
Salicylic acid	31807.00	31747.00	21855.00	22428.00	22010.00	21730.00	1.00	1.00	23322.00	23868.00	16090.00	18132.00	17268.00	17798.00	23831.00	26557.00	19830.00	21960.00	19258.00	22752.00	23298.00	29237.00	18997.00	16344.00
O-Desmethylquinine glucuronide	27600.00	27946.00	26987.00	26631.00	27988.00	28324.00	26650.00	26267.00	26029.00	26313.00	24829.00	26692.00	26775.00	24284.00	25107.00	27289.00	26389.00	23866.00	25390.00	26136.00	26890.00	28591.00	27396.00	30006.00
C13 H14 N5 O9	17895.00	20951.00	19587.00	19120.00	19692.00	18807.00	22297.00	19791.00	20386.00	19252.00	25400.00	25574.00	23043.00	23739.00	26561.00	25646.00	23160.00	23440.00	22701.00	22347.00	20574.00	23156.00	18142.00	18434.00
3-(3,4-Dihydroxyphenyl)lactate	27715.00	24794.00	19403.00	25097.00	25443.00	25518.00	23684.00	22568.00	1.00	1.00	20457.00	21558.00	20101.00	23317.00	26897.00	27674.00	29620.00	31831.00	25466.00	22579.00	27875.00	27513.00	21530.00	22383.00
4-Isopropylbenzoic acid	24320.00	26348.00	23229.00	26813.00	27332.00	27668.00	24828.00	24323.00	26101.00	25055.00	22819.00	23286.00	22261.00	24309.00	23099.00	23315.00	21877.00	22312.00	25519.00	24775.00	25656.00	30545.00	25979.00	28826.00
C13 H11 N2 O16	22131.00	22215.00	13137.00	10813.00	20160.00	19600.00	9379.00	9622.00	1.00	1.00	11709.00	13819.00	15478.00	15928.00	26585.00	24972.00	18299.00	18249.00	14845.00	15019.00	16180.00	14683.00	9097.00	7955.00
C5 H7 Cl3 N O6 S	62959.00	60114.00	35293.00	40115.00	59793.00	61704.00	65162.00	67751.00	12903.00	13281.00	60921.00	60708.00	62102.00	59825.00	40858.00	39642.00	43302.00	41300.00	70372.00	71582.00	46741.00	49227.00	50223.00	53337.00
C38 H83 N13 O	26314.00	24603.00	23953.00	26880.00	24960.00	25730.00	24459.00	24911.00	1.00	1.00	25394.00	25627.00	23238.00	23733.00	22942.00	22654.00	24973.00	24199.00	24525.00	26225.00	25123.00	24873.00	19525.00	20394.00
C17 H17 N2 O16 S	27237.00	26432.00	25538.00	25050.00	26233.00	26930.00	26121.00	25439.00	25719.00	25423.00	22320.00	24312.00	24343.00	23990.00	24051.00	23915.00	24843.00	23018.00	25799.00	23236.00	23169.00	25482.00	27240.00	27828.00
C15 H12 O18	26377.00	26621.00	24466.00	25776.00	25258.00	26199.00	24131.00	24050.00	24291.00	25133.00	26632.00	21508.00	24072.00	23926.00	23211.00	24508.00	25009.00	23588.00	23211.00	25014.00	26235.00	25961.00	26067.00	25907.00
C35 H57 N26 O	26528.00	26444.00	29973.00	25503.00	29344.00	28444.00	27576.00	28207.00	1.00	1.00	25939.00	29075.00	28308.00	28385.00	28119.00	25421.00	26810.00	26854.00	31065.00	30307.00	29262.00	30239.00	18380.00	19687.00
2-oxo-octadecanoic acid	35868.00	101268.00	26111.00	99070.00	57354.00	28216.00	74928.00	77218.00	100636.00	43302.00	88597.00	84065.00	73569.00	70886.00	120596.00	48482.00	64669.00	48270.00	17605.00	99688.00	57602.00	1.00	17335.00	109539.00
C7 H2 N2 O5 S5	21535.00	20069.00	10810.00	8929.00	16760.00	16976.00	18634.00	18951.00	10426.00	9444.00	18844.00	17427.00	16999.00	15507.00	9093.00	8996.00	9539.00	9400.00	20190.00	19371.00	10462.00	12329.00	15627.00	14934.00
C42 H69 N5 O3	21062.00	23643.00	24563.00	24334.00	25765.00	22641.00	24013.00	28018.00	1.00	1.00	24007.00	23659.00	26364.00	25053.00	25302.00	26000.00	23029.00	25332.00	23706.00	19724.00	26401.00	25457.00	14853.00	18412.00
Ampalex	33435.00	22121.00	42660.00	28565.00	28500.00	28913.00	24178.00	31845.00	32115.00	22545.00	40077.00	22196.00	27998.00	20511.00	30191.00	27997.00	24744.00	26450.00	17511.00	50999.00	27958.00	38298.00	23458.00	21337.00
C44 H87 O3	26118.00	26354.00	26230.00	26590.00	25718.00	26155.00	30376.00	28391.00	1.00	1.00	29867.00	29846.00	27975.00	28736.00	26361.00	26610.00	27277.00	25872.00	29273.00	30455.00	27588.00	27260.00	21395.00	22015.00
Pyributicarb	15507.00	15044.00	11717.00	10697.00	12919.00	12597.00	17312.00	16861.00	1.00	1.00	11414.00	11099.00	13274.00	12110.00	13068.00	12154.00	16393.00	14805.00	25225.00	28212.00	15422.00	17037.00	15016.00	16519.00
C44 H75 N O	27898.00	25881.00	26260.00	29336.00	25699.00	27140.00	28007.00	26723.00	1.00	1.00	25772.00	27824.00	27404.00	26566.00	29891.00	26335.00	27200.00	28972.00	27962.00	26263.00	26439.00	28201.00	19767.00	18597.00
(2S)-2-Phospholactate	20838.00	21265.00	13390.00	15103.00	12764.00	15852.00	9520.00	8286.00	1.00	1.00	9170.00	8372.00	12955.00	11501.00	26667.00	28187.00	12505.00	12023.00	1.00	1.00	7984.00	8443.00	1.00	1.00
C4 H6 N O7	38543.00	35140.00	40048.00	33402.00	33519.00	35821.00	28561.00	35657.00	35383.00	39060.00	20947.00	25505.00	29357.00	32594.00	22041.00	23971.00	27542.00	22815.00	30929.00	29291.00	23338.00	28821.00	25911.00	37610.00
2-Naphthalenesulfonic acid	26932.00	25892.00	25492.00	24586.00	24973.00	27971.00	23431.00	26449.00	26581.00	23214.00	26809.00	24047.00	23635.00	25189.00	27503.00	23547.00	23944.00	24669.00	27759.00	27972.00	25410.00	23046.00	22870.00	24044.00
C16 H16 N O13 S Esi-8.886001	36537.00	27220.00	32060.00	34616.00	35819.00	37478.00	37604.00	34951.00	35972.00	37225.00	35180.00	23558.00	35120.00	33967.00	26443.00	35633.00	34500.00	34313.00	36400.00	36736.00	29844.00	34715.00	35811.00	33691.00
(+/-)-6-Hydroxy-3-oxo-alpha-ionol	29255.00	27282.00	27837.00	24823.00	29569.00	26263.00	24606.00	25816.00	26535.00	28416.00	23193.00	24437.00	23133.00	21355.00	22099.00	24658.00	23382.00	24666.00	26287.00	25155.00	24241.00	25562.00	24504.00	29328.00
C14 H10 N3 O S3	13836.00	12291.00	11047.00	21069.00	11112.00	12677.00	13709.00	13651.00	8566.00	8065.00	10772.00	13106.00	10662.00	13177.00	14411.00	14840.00	13972.00	14426.00	11330.00	12091.00	9901.00	12423.00	13341.00	14983.00
C8 H5 N7 S	26310.00	24306.00	1.00	1.00	21801.00	22652.00	24589.00	23019.00	1.00	1.00	17964.00	16915.00	19138.00	17382.00	1.00	1.00	1.00	1.00	21782.00	20895.00	1.00	1.00	9932.00	9354.00
N-Hydroxy-L-phenylalanine	27367.00	23183.00	16964.00	16747.00	15593.00	14858.00	14255.00	14875.00	8002.00	7415.00	17323.00	18241.00	22096.00	20982.00	19175.00	17525.00	18138.00	17965.00	17358.00	16305.00	13186.00	13693.00	16776.00	16854.00
Teniposide	12519.00	13336.00	7571.00	8198.00	12331.00	12475.00	7767.00	7755.00	27737.00	29889.00	15860.00	14828.00	18698.00	16783.00	12739.00	12606.00	9927.00	9974.00	1.00	1.00	1.00	1.00	7591.00	8629.00
C10 H2 O9	17332.00	19457.00	1.00	1.00	22577.00	24684.00	25018.00	25773.00	1.00	1.00	18686.00	21718.00	17755.00	18306.00	1.00	1.00	1.00	1.00	21936.00	20946.00	1.00	1.00	8717.00	10410.00
3-(3,4-Dihydroxyphenyl)lactate Esi-3.9250007	25323.00	23770.00	15075.00	19785.00	21442.00	22948.00	17643.00	17636.00	1.00	1.00	16683.00	19456.00	19771.00	20238.00	25780.00	23519.00	26668.00	28834.00	19802.00	20021.00	23193.00	25554.00	18699.00	18483.00
C12 H Cl O5 S5	21822.00	23606.00	21463.00	19636.00	23950.00	21586.00	21933.00	23425.00	1.00	1.00	20727.00	21157.00	21539.00	23975.00	21215.00	21553.00	21692.00	22667.00	25346.00	24178.00	21838.00	22383.00	18410.00	19670.00
C17 H5 N O5	22315.00	23936.00	16191.00	15188.00	26190.00	24994.00	19995.00	21631.00	1.00	1.00	20770.00	20634.00	26404.00	27138.00	1.00	7654.00	13031.00	13314.00	18674.00	17890.00	12192.00	13263.00	8010.00	10237.00
Deoxycytidine	26636.00	27258.00	15205.00	16720.00	18131.00	18590.00	11492.00	12229.00	5858.00	1.00	14852.00	14018.00	15515.00	16868.00	10954.00	11993.00	14268.00	13787.00	13975.00	15096.00	15736.00	16046.00	9176.00	8594.00
C13 H2 N2 O15 S	31852.00	34331.00	33856.00	32091.00	36083.00	34954.00	33590.00	34716.00	1.00	1.00	40846.00	37383.00	34874.00	37778.00	36691.00	31332.00	39519.00	37590.00	38364.00	40316.00	37964.00	39502.00	32797.00	31348.00
C36 H55 N22 O3	28124.00	27539.00	27508.00	28977.00	29068.00	27608.00	27609.00	28577.00	1.00	1.00	30810.00	27883.00	27048.00	30139.00	27182.00	27610.00	28198.00	26211.00	23832.00	29098.00	26921.00	29377.00	20158.00	20310.00
C42 H65 N22	26650.00	21425.00	23705.00	25512.00	24081.00	26661.00	25572.00	27592.00	1.00	1.00	29089.00	27960.00	25953.00	23741.00	23690.00	22735.00	23757.00	23651.00	24249.00	24496.00	24850.00	25075.00	21631.00	17007.00
C6 H16 N O7	27081.00	26503.00	20238.00	17756.00	17247.00	16409.00	16522.00	17938.00	11309.00	10057.00	13839.00	13987.00	19539.00	17431.00	19630.00	20406.00	19369.00	19736.00	17322.00	16727.00	14150.00	15490.00	12234.00	12184.00
D-Glycerate 2-phosphate	28773.00	27616.00	27773.00	28877.00	29067.00	28568.00	27350.00	27226.00	27309.00	26533.00	28474.00	26984.00	29599.00	29846.00	29776.00	30146.00	27526.00	27859.00	26568.00	27918.00	28718.00	27698.00	27539.00	30405.00
C39 H83 N4 O7	26048.00	24999.00	25348.00	27022.00	27592.00	27899.00	27727.00	28895.00	1.00	1.00	27845.00	28681.00	29194.00	25895.00	28451.00	25793.00	25981.00	24548.00	28535.00	25900.00	26991.00	27561.00	19902.00	21483.00
C38 H83 N9 O4	19417.00	16917.00	20251.00	19199.00	21112.00	20537.00	22184.00	20463.00	1.00	1.00	22476.00	21308.00	19896.00	20512.00	20110.00	19563.00	20542.00	21441.00	21310.00	20487.00	21195.00	21556.00	15069.00	17156.00
C34 H71 N7 O3	24982.00	23448.00	28564.00	28190.00	27743.00	25797.00	24794.00	25279.00	1.00	1.00	25465.00	25833.00	28803.00	26697.00	27753.00	29094.00	29004.00	26776.00	23535.00	21235.00	26490.00	29259.00	18239.00	18203.00
C13 H18 N O3	26772.00	25332.00	23595.00	25031.00	24177.00	24821.00	23859.00	24022.00	24845.00	21869.00	21905.00	24069.00	23552.00	24856.00	23475.00	21510.00	24132.00	20881.00	24496.00	22751.00	23083.00	24426.00	23275.00	23688.00
C5 H2 N2 O4 S2	12847.00	10186.00	11724.00	12277.00	17008.00	14706.00	15595.00	15412.00	1.00	1.00	11618.00	15302.00	15512.00	14470.00	13458.00	14423.00	13133.00	15014.00	16295.00	15411.00	13131.00	14610.00	10315.00	7856.00
C43 H87 N5	24426.00	26194.00	23847.00	25747.00	26589.00	26733.00	28041.00	25100.00	1.00	1.00	26805.00	25760.00	25230.00	27158.00	27049.00	26675.00	26899.00	25609.00	28260.00	26912.00	27542.00	26175.00	21921.00	21442.00
C16 H2 N2 O17 S	23416.00	23142.00	23969.00	24605.00	25280.00	26773.00	24566.00	22697.00	1.00	1.00	27867.00	27900.00	25525.00	24121.00	25127.00	24871.00	26300.00	26065.00	29814.00	27933.00	26552.00	28838.00	23036.00	21997.00
2,2-Dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-benzopyran-7-ol acetate Esi-10.649	27202.00	27218.00	20117.00	19200.00	24291.00	24482.00	21842.00	25378.00	23621.00	22268.00	20988.00	25524.00	25049.00	23344.00	23436.00	21556.00	19858.00	23430.00	25278.00	25710.00	24616.00	24476.00	25251.00	25091.00
C47 H75 N O3	25962.00	26900.00	24615.00	25778.00	25130.00	23993.00	26391.00	22486.00	1.00	1.00	27371.00	28260.00	24560.00	25986.00	25797.00	25493.00	25328.00	25959.00	26327.00	24065.00	22944.00	25532.00	18854.00	19257.00
C57 H62 Cl N8 O2	27803.00	22427.00	20950.00	23102.00	26327.00	24429.00	22872.00	26679.00	1.00	1.00	25552.00	26817.00	26196.00	24569.00	22589.00	22992.00	25348.00	22392.00	25052.00	23239.00	25491.00	25580.00	15872.00	21377.00
3,4-Dihydroxyphenylglycol O-sulfate Esi-1.4449998	78532.00	72914.00	54560.00	51252.00	56976.00	55758.00	58506.00	59071.00	1.00	1.00	56159.00	54302.00	53115.00	56848.00	52955.00	53607.00	10724.00	12114.00	9275.00	10793.00	10235.00	9877.00	9225.00	5849.00
Ethofumesate	12965.00	13516.00	7839.00	7708.00	4581.00	4072.00	2266.00	1.00	1.00	1.00	1.00	1.00	2379.00	3050.00	24771.00	25115.00	11250.00	10763.00	2503.00	1.00	9928.00	8070.00	1.00	1.00
C8 H6 N3 S	56674.00	55270.00	33747.00	36225.00	54471.00	52312.00	55993.00	53912.00	53411.00	55613.00	55404.00	53504.00	48798.00	47111.00	35732.00	34149.00	35165.00	35384.00	64375.00	65613.00	47564.00	45940.00	56990.00	59393.00
C33 H65 N26 O	21257.00	17385.00	20128.00	20325.00	20365.00	21064.00	20781.00	21755.00	1.00	1.00	19644.00	21615.00	22234.00	19108.00	18286.00	20590.00	19210.00	16125.00	22088.00	22730.00	17472.00	18690.00	14899.00	14687.00
C16 H16 N3 O18 S Esi-10.024	36067.00	28376.00	23845.00	34024.00	36702.00	32933.00	32099.00	29562.00	33432.00	32467.00	35355.00	33228.00	33857.00	31858.00	36009.00	36059.00	33497.00	34406.00	35301.00	35678.00	28986.00	35559.00	38564.00	34561.00
C17 H17 N2 O17 S	27605.00	26379.00	23570.00	23092.00	25548.00	24921.00	25094.00	25732.00	25364.00	23482.00	24264.00	24786.00	24057.00	23925.00	25606.00	27655.00	25402.00	24402.00	24058.00	24588.00	23910.00	25345.00	25395.00	25415.00
C17 H12 S3	5171.00	5752.00	4693.00	7554.00	3209.00	4486.00	4548.00	5513.00	3739.00	4528.00	3284.00	3500.00	5008.00	5133.00	5920.00	8910.00	6109.00	5523.00	3815.00	5417.00	4205.00	5115.00	5657.00	6260.00
C19 H6 N4 O6	13095.00	13816.00	13588.00	14291.00	12348.00	12649.00	11330.00	12116.00	10293.00	10921.00	9850.00	10754.00	12140.00	11942.00	17538.00	17116.00	15456.00	14177.00	9368.00	10270.00	11181.00	13009.00	11215.00	12861.00
C38 H75 N13 O4	25175.00	24525.00	24314.00	27963.00	23005.00	24642.00	26163.00	29899.00	1.00	1.00	25078.00	25531.00	25705.00	24708.00	24441.00	26177.00	23569.00	22377.00	26102.00	24503.00	25420.00	23428.00	19454.00	19319.00
C12 H N3 O5 S	13004.00	16004.00	13091.00	14348.00	5888.00	5429.00	6262.00	7335.00	7832.00	6074.00	5407.00	5727.00	4866.00	5406.00	6953.00	4879.00	12618.00	11743.00	21163.00	20965.00	24453.00	25617.00	20859.00	20372.00
C29 H61 N30 O5	29227.00	24891.00	22734.00	21065.00	28375.00	25579.00	25334.00	30614.00	1.00	1.00	30432.00	26697.00	27708.00	27368.00	19760.00	23744.00	22891.00	20953.00	29996.00	27454.00	22555.00	22995.00	18253.00	19993.00
(6S)-dehydrovomifoliol	24086.00	21394.00	22532.00	21568.00	22378.00	22687.00	22391.00	22638.00	23489.00	22294.00	22321.00	21177.00	22657.00	22409.00	19968.00	21139.00	20535.00	22952.00	22278.00	22369.00	23256.00	19851.00	21828.00	23109.00
2-Butanone, 4-[6-(sulfooxy)-2-naphthalenyl]-	22397.00	20588.00	20574.00	21012.00	22495.00	19029.00	19533.00	20971.00	19851.00	17882.00	16780.00	15114.00	17784.00	17410.00	17066.00	15743.00	16413.00	16691.00	16949.00	16984.00	17456.00	17537.00	17439.00	18211.00
C13 H25 N O3	8934.00	11125.00	12381.00	12089.00	13384.00	14789.00	11933.00	14145.00	21353.00	18900.00	17518.00	18284.00	9159.00	9757.00	9379.00	11079.00	9573.00	9644.00	15979.00	17015.00	11614.00	10412.00	12274.00	13275.00
CCT018159	20757.00	19484.00	18339.00	19516.00	19471.00	18407.00	17893.00	18114.00	18029.00	20196.00	16296.00	15233.00	15970.00	15468.00	14598.00	14533.00	16626.00	15074.00	16351.00	18077.00	18806.00	17011.00	17496.00	18070.00
2'-Deoxyuridine Esi-0.89299977	25445.00	22730.00	20453.00	19600.00	20958.00	18107.00	18596.00	18224.00	1.00	1.00	19923.00	17897.00	18950.00	16747.00	22226.00	22887.00	22176.00	20450.00	18220.00	17350.00	24912.00	20119.00	15000.00	14314.00
C9 H13 N3 O3 S	14401.00	12994.00	20846.00	20810.00	21913.00	22377.00	16736.00	16864.00	1.00	1.00	13870.00	13350.00	19083.00	17648.00	24486.00	21847.00	22640.00	20961.00	13614.00	14451.00	21937.00	21859.00	10476.00	8580.00
C37 H79 N13 O3 S	21652.00	21111.00	21943.00	21435.00	24673.00	26292.00	23536.00	24907.00	1.00	1.00	24599.00	23796.00	23034.00	22834.00	21926.00	22133.00	23146.00	22831.00	24220.00	22967.00	21174.00	22631.00	18083.00	17386.00
C42 H59 N23 O	21799.00	21888.00	24086.00	19563.00	25229.00	27392.00	20045.00	26670.00	1.00	1.00	25907.00	25115.00	23002.00	25352.00	23437.00	19381.00	22769.00	24532.00	25159.00	22647.00	22662.00	21312.00	18606.00	17872.00
C34 H63 N21	21634.00	21553.00	22949.00	23817.00	24369.00	25173.00	24619.00	25601.00	1.00	1.00	23542.00	24610.00	23100.00	24771.00	23142.00	23660.00	22917.00	23548.00	23004.00	24138.00	24206.00	22757.00	16908.00	18604.00
Justicidin A	20308.00	19371.00	21060.00	20170.00	20192.00	19018.00	19118.00	20061.00	19496.00	19809.00	23746.00	22810.00	20442.00	21736.00	23782.00	21334.00	21627.00	20350.00	21636.00	19279.00	17651.00	19665.00	18307.00	18002.00
2-Hexynoic acid, 6-hydroxy-	29732.00	26889.00	23691.00	22667.00	23729.00	28549.00	22550.00	22919.00	20459.00	22117.00	22852.00	24533.00	20136.00	22667.00	26016.00	28278.00	23520.00	21515.00	21010.00	20314.00	23562.00	22856.00	23087.00	21931.00
C22 H6 N2	7501.00	7848.00	7948.00	8158.00	7232.00	7610.00	1.00	7685.00	7300.00	7486.00	1.00	1.00	1.00	6699.00	7707.00	8840.00	7264.00	7424.00	1.00	6661.00	7593.00	8691.00	7850.00	8688.00
C42 H91 N6 O4	26012.00	29642.00	18893.00	22107.00	26461.00	26650.00	28318.00	25741.00	1.00	1.00	23958.00	23934.00	23190.00	25647.00	20765.00	18558.00	21574.00	23080.00	30064.00	27402.00	22369.00	23029.00	18375.00	19843.00
L-Alanine, N-propyl-	43043.00	39660.00	17297.00	17737.00	18144.00	17311.00	1.00	12302.00	1.00	1.00	15334.00	1.00	15306.00	15141.00	30047.00	29551.00	22878.00	21251.00	15940.00	16316.00	17009.00	13997.00	14715.00	13632.00
C10 H Cl3 N2 O3 S4	26166.00	26785.00	14472.00	15485.00	20933.00	18094.00	22492.00	21227.00	1.00	7220.00	16970.00	16852.00	17161.00	17097.00	15185.00	15339.00	15705.00	13259.00	16667.00	22233.00	14298.00	16171.00	16661.00	17672.00
C50 H65 N2 O4 S2	19695.00	17804.00	14695.00	15866.00	14219.00	14391.00	14412.00	14008.00	1.00	1.00	14389.00	14425.00	15108.00	13177.00	14536.00	20895.00	16496.00	15637.00	14884.00	13349.00	15983.00	13067.00	12643.00	12477.00
3-Epihydroxymugineic acid Esi-6.205999	17862.00	14598.00	9828.00	9360.00	13740.00	17149.00	9188.00	8966.00	22228.00	23972.00	10291.00	7824.00	9996.00	9343.00	11505.00	12730.00	11733.00	13238.00	8478.00	11757.00	12493.00	10843.00	10517.00	8585.00
Glu Tyr Thr	27199.00	26081.00	26771.00	27663.00	19780.00	27411.00	27961.00	28359.00	29010.00	24867.00	23106.00	31313.00	27514.00	19030.00	29897.00	28359.00	20977.00	28064.00	29927.00	31004.00	20893.00	30125.00	22813.00	31120.00
C11 H2 Cl2 N4 O2 S	23439.00	23294.00	22677.00	21091.00	23500.00	23974.00	21447.00	23297.00	1.00	1.00	21626.00	25196.00	23180.00	22969.00	21398.00	24125.00	25212.00	24517.00	26806.00	28344.00	24853.00	25947.00	21794.00	18999.00
C10 H3 O11	17960.00	18801.00	20565.00	18092.00	19247.00	21238.00	19755.00	18973.00	18536.00	14772.00	21570.00	21233.00	22935.00	22591.00	23004.00	24653.00	20999.00	18515.00	20695.00	21321.00	20804.00	20232.00	21059.00	20632.00
(S)-2-Ethyl-3-hydroxypropionic acid Esi-3.7620008	30066.00	31289.00	20244.00	21002.00	28599.00	27671.00	27931.00	28176.00	1.00	1.00	23152.00	21028.00	34324.00	26910.00	23316.00	28313.00	23555.00	27987.00	21068.00	10147.00	35410.00	28305.00	42693.00	25773.00
C10 H8 O15 S	33847.00	34762.00	32508.00	34312.00	35435.00	34560.00	34106.00	33352.00	8847.00	7206.00	38359.00	38330.00	33902.00	35679.00	34786.00	32192.00	35568.00	34257.00	39587.00	38633.00	39388.00	40409.00	36024.00	30806.00
Isoelemicin	21570.00	19569.00	19817.00	18466.00	20127.00	21449.00	23319.00	20359.00	20010.00	23389.00	17642.00	18458.00	19193.00	16607.00	20330.00	20826.00	16062.00	16128.00	16982.00	18512.00	16517.00	19937.00	24186.00	19687.00
C17 H17 N2 O17 S Esi-10.175998	22511.00	21838.00	21471.00	20017.00	23021.00	23071.00	20395.00	23449.00	21746.00	21847.00	21216.00	19655.00	22363.00	21957.00	21917.00	22786.00	22682.00	21833.00	23418.00	23096.00	20424.00	21188.00	22675.00	22927.00
N-(3S-hydroxy-butanoyl)-homoserine lactone	19755.00	19737.00	20421.00	20604.00	19918.00	20321.00	18908.00	18702.00	20849.00	18797.00	17423.00	16697.00	16842.00	16624.00	14359.00	15981.00	15302.00	16285.00	18268.00	18952.00	17186.00	17020.00	15133.00	18556.00
C41 H61 N18 O3	19491.00	19183.00	22035.00	21762.00	24864.00	23366.00	22327.00	23878.00	1.00	1.00	22698.00	21424.00	22639.00	21088.00	22207.00	20909.00	21920.00	20864.00	25781.00	23530.00	20931.00	20085.00	17570.00	15700.00
C15 H13 N3 O6	22140.00	20653.00	22691.00	23831.00	21652.00	19363.00	22658.00	20968.00	20917.00	19906.00	26341.00	25291.00	26884.00	25525.00	28827.00	26340.00	22962.00	24386.00	24449.00	25895.00	24641.00	23180.00	24141.00	24082.00
C15 H6 N3 O11 S2	23497.00	23185.00	24086.00	23658.00	25542.00	24682.00	24093.00	22844.00	5933.00	1.00	26303.00	26132.00	24130.00	23922.00	24738.00	24834.00	28223.00	25078.00	25714.00	26804.00	27311.00	25848.00	23010.00	21921.00
C37 H63 N13 O12	19950.00	18459.00	23359.00	18815.00	25578.00	21769.00	20595.00	23532.00	1.00	1.00	24303.00	25144.00	22236.00	22563.00	20743.00	20858.00	21626.00	21769.00	20490.00	20080.00	20421.00	18518.00	16341.00	14401.00
C23 H16 N3 O8	18942.00	19759.00	18963.00	18694.00	19755.00	18194.00	20082.00	19183.00	19218.00	20199.00	21829.00	20688.00	19021.00	18637.00	21696.00	21221.00	18536.00	18088.00	19572.00	19598.00	19452.00	18462.00	17812.00	16108.00
Praecansone B	20642.00	20115.00	22084.00	20180.00	19303.00	20480.00	20037.00	18696.00	23373.00	20317.00	19761.00	19885.00	19990.00	18837.00	21089.00	19242.00	20299.00	18895.00	19734.00	19146.00	20837.00	19918.00	20158.00	21058.00
Sulfaphenazole	18138.00	17136.00	17140.00	17840.00	18233.00	17845.00	17220.00	20503.00	16874.00	16971.00	16002.00	19572.00	17911.00	20854.00	17608.00	18490.00	18507.00	18153.00	17110.00	18371.00	15934.00	17425.00	15380.00	16809.00
Fenitropan	19488.00	18879.00	17007.00	19332.00	17969.00	19234.00	16989.00	18171.00	18553.00	19658.00	16055.00	16371.00	17774.00	15681.00	14361.00	16827.00	16088.00	17419.00	16056.00	17545.00	18157.00	17522.00	19066.00	16520.00
C19 H20 N3 O21 S	18746.00	16756.00	18271.00	17665.00	17928.00	18422.00	17918.00	18021.00	16844.00	18341.00	17929.00	16634.00	18251.00	18714.00	17843.00	18104.00	18903.00	20045.00	18465.00	19156.00	20333.00	20064.00	20189.00	22401.00
C46 H89 N2 O4	24863.00	25127.00	21917.00	24511.00	22096.00	23966.00	25125.00	25021.00	1.00	1.00	21736.00	26754.00	25941.00	21458.00	20017.00	21546.00	22491.00	23784.00	24589.00	26598.00	20980.00	20799.00	20986.00	16846.00
C12 H16 N7 O11	12705.00	13096.00	14165.00	16078.00	15331.00	14360.00	16196.00	15989.00	17982.00	18119.00	17852.00	17130.00	18280.00	16662.00	19875.00	20900.00	17523.00	15170.00	16482.00	16184.00	18650.00	14937.00	18928.00	18832.00
C17 Cl2 N2 S4	17977.00	21238.00	19498.00	17748.00	21569.00	20195.00	23977.00	20381.00	1.00	1.00	20973.00	20440.00	21863.00	24265.00	22404.00	20007.00	20081.00	20219.00	23694.00	23049.00	21504.00	21824.00	18247.00	18226.00
Rishitin Esi-8.737	23029.00	20477.00	21032.00	21976.00	19195.00	21374.00	18631.00	18549.00	22227.00	22582.00	21458.00	19253.00	17396.00	24093.00	19885.00	21061.00	20098.00	21924.00	21576.00	20150.00	19243.00	21242.00	20072.00	20999.00
C12 H Cl3 N O5 S3	24059.00	24254.00	16464.00	14687.00	18997.00	17390.00	19599.00	17884.00	10330.00	12101.00	15896.00	18972.00	18284.00	19386.00	12477.00	11886.00	13372.00	13787.00	18511.00	19663.00	13792.00	13569.00	16989.00	15083.00
C24 H55 N25	25373.00	23885.00	25132.00	23889.00	23413.00	24906.00	24744.00	24827.00	1.00	1.00	21676.00	21338.00	25412.00	23352.00	19427.00	21956.00	23610.00	24972.00	22478.00	19128.00	25262.00	24243.00	16521.00	18282.00
Lysine	21137.00	18505.00	20143.00	16590.00	16094.00	16186.00	14935.00	17408.00	11405.00	9617.00	9966.00	11103.00	16762.00	16347.00	15937.00	15367.00	14622.00	16727.00	13681.00	85585.00	10745.00	10855.00	10082.00	12121.00
C45 H79 N2 O4	20740.00	22734.00	22364.00	22108.00	21347.00	23873.00	22757.00	23220.00	1.00	1.00	22433.00	24538.00	22639.00	21084.00	22882.00	22067.00	21595.00	20063.00	20463.00	21164.00	21694.00	21977.00	17215.00	15126.00
2,5-Furandicarboxylic acid	10738.00	11027.00	21232.00	17905.00	14809.00	16034.00	12050.00	13244.00	1.00	1.00	10982.00	12306.00	16959.00	15885.00	21398.00	24844.00	21518.00	19104.00	11458.00	14582.00	18578.00	18483.00	11175.00	11834.00
C6 H2 Cl2 N4 O3 S	24006.00	12327.00	12493.00	9595.00	20204.00	17019.00	17758.00	25134.00	19858.00	8897.00	21991.00	24118.00	22795.00	23095.00	17557.00	1.00	10291.00	11614.00	19065.00	21028.00	9530.00	1.00	9667.00	22243.00
Kaempferol 3-(2'',4''-diacetylrhamnoside)	1.00	6456.00	23109.00	20714.00	13646.00	13420.00	18011.00	17466.00	1.00	1.00	20476.00	20947.00	10812.00	10744.00	8453.00	8311.00	12738.00	11611.00	13395.00	12924.00	17878.00	17148.00	1.00	7280.00
C34 H45 N30	24361.00	25528.00	23463.00	25886.00	28981.00	27738.00	26760.00	26983.00	1.00	1.00	29086.00	25944.00	25400.00	30223.00	25445.00	27998.00	26405.00	27579.00	29782.00	26927.00	28644.00	29322.00	17714.00	20761.00
17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carboxylic acid, gamma-lactone Esi-11.492002	105653.00	125725.00	118286.00	123551.00	124808.00	122197.00	116475.00	123916.00	131045.00	124054.00	123644.00	128363.00	120362.00	127455.00	113087.00	124700.00	131262.00	132550.00	116771.00	149412.00	121303.00	122698.00	137613.00	134228.00
C11 H24 N9 O7	21332.00	18371.00	17772.00	18775.00	17003.00	16310.00	16704.00	16408.00	16690.00	18981.00	17575.00	16243.00	20367.00	15579.00	18783.00	18584.00	17728.00	19612.00	16882.00	18135.00	17577.00	18980.00	16199.00	21719.00
C43 H87 N2	24333.00	22623.00	12855.00	15265.00	20127.00	19856.00	23339.00	17609.00	1.00	1.00	17117.00	17284.00	18816.00	16154.00	17308.00	14040.00	18490.00	15440.00	17218.00	18679.00	16536.00	20121.00	18914.00	19939.00
C39 H75 N18	21618.00	22520.00	20331.00	19888.00	22580.00	22719.00	24534.00	22678.00	1.00	1.00	20771.00	22019.00	20953.00	21466.00	20557.00	19642.00	20208.00	19574.00	21406.00	23882.00	20746.00	22445.00	18655.00	17865.00
C28 H61 N17 O7	14626.00	14249.00	17165.00	17868.00	17166.00	16421.00	17111.00	16087.00	1.00	1.00	16694.00	18267.00	16581.00	17422.00	18821.00	18862.00	17261.00	17484.00	15170.00	15249.00	17379.00	17093.00	12416.00	12046.00
L-Valine	23495.00	24660.00	8152.00	7885.00	9683.00	10237.00	7678.00	1.00	1.00	1.00	9646.00	8046.00	7007.00	8079.00	21684.00	19873.00	14859.00	15762.00	9659.00	8137.00	1.00	8869.00	8595.00	9850.00
C7 H13 N2 O10 S	16375.00	17300.00	17248.00	20025.00	17901.00	17742.00	17392.00	19075.00	21068.00	22497.00	20763.00	20763.00	19872.00	21695.00	20397.00	19801.00	21205.00	20320.00	20660.00	20801.00	19933.00	20807.00	18660.00	20038.00
C52 H41 N21	18878.00	19102.00	22079.00	19612.00	22033.00	21515.00	22844.00	21094.00	1.00	1.00	22899.00	21799.00	21632.00	18314.00	20461.00	20409.00	21732.00	22930.00	22053.00	19875.00	22268.00	20031.00	12977.00	13418.00
C34 H73 N22 O2 S	20619.00	22374.00	15877.00	20221.00	23480.00	20303.00	20458.00	23220.00	1.00	1.00	19539.00	20827.00	20416.00	22718.00	18808.00	17824.00	15879.00	17308.00	23460.00	22924.00	19973.00	19987.00	15217.00	14557.00
C42 H69 N5 O	17426.00	17085.00	17000.00	17117.00	17938.00	19334.00	16940.00	16355.00	1.00	1.00	15995.00	17303.00	18245.00	16987.00	18350.00	15497.00	18907.00	17378.00	16686.00	16630.00	18045.00	19483.00	12940.00	12208.00
C39 H37 N30 O4	18418.00	19691.00	23783.00	21619.00	25473.00	27273.00	21940.00	27489.00	1.00	1.00	25886.00	28516.00	23077.00	21885.00	19712.00	26785.00	26052.00	25847.00	22859.00	24526.00	20025.00	25857.00	17212.00	11516.00
C29 H63 N19 O5	14034.00	13727.00	15806.00	14863.00	14257.00	15454.00	15371.00	14833.00	1.00	1.00	15032.00	17024.00	14263.00	15461.00	14998.00	15875.00	16560.00	16829.00	15266.00	14101.00	16089.00	15889.00	12432.00	10619.00
C42 H77 N14 O	20257.00	20729.00	19397.00	19121.00	24109.00	23437.00	20190.00	22160.00	1.00	1.00	21735.00	21319.00	18980.00	22792.00	19183.00	21002.00	20193.00	17471.00	22858.00	24418.00	21794.00	19115.00	16093.00	17100.00
15-hydroxy stearic acid Esi-12.201997	22657.00	19625.00	59521.00	20359.00	86609.00	18717.00	19887.00	20666.00	19343.00	19483.00	16971.00	20998.00	86015.00	21328.00	19743.00	19068.00	86864.00	19192.00	9359.00	21008.00	17193.00	21404.00	16631.00	17779.00
C17 H40 N5 O3	16213.00	15812.00	1.00	1.00	13137.00	15073.00	17289.00	14664.00	11426.00	10302.00	13741.00	15355.00	14124.00	13563.00	1.00	1.00	1.00	1.00	18287.00	16811.00	1.00	1.00	14001.00	13787.00
C28 H57 N22 O3	16203.00	14750.00	19498.00	20208.00	19879.00	17419.00	18416.00	16096.00	1.00	1.00	18674.00	15757.00	17373.00	18929.00	20193.00	19958.00	20141.00	17208.00	14429.00	18867.00	20347.00	18593.00	13907.00	11958.00
Thalicsessine	11419.00	10634.00	1.00	7651.00	7748.00	8326.00	13533.00	12635.00	7362.00	7612.00	15163.00	17755.00	8149.00	7148.00	1.00	1.00	1.00	1.00	8282.00	9630.00	1.00	1.00	6530.00	1.00
Tazarotene	13105.00	12516.00	10009.00	10513.00	11468.00	10840.00	11886.00	11755.00	12547.00	12449.00	14737.00	14857.00	9412.00	10814.00	13763.00	13426.00	17990.00	18058.00	11000.00	11058.00	8979.00	10406.00	11452.00	9222.00
2,2-Dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-benzopyran-7-ol acetate Esi-10.423999	60418.00	50639.00	47542.00	48171.00	51338.00	63342.00	45426.00	52423.00	52777.00	51417.00	59661.00	55897.00	56534.00	55154.00	53173.00	44600.00	44863.00	54751.00	52758.00	63341.00	59079.00	58821.00	49994.00	53014.00
C13 H37 N16 O	21060.00	17282.00	13297.00	16143.00	15358.00	12194.00	15795.00	16667.00	14826.00	15329.00	18552.00	17659.00	17667.00	15783.00	17302.00	16847.00	17492.00	17223.00	18859.00	17033.00	18619.00	17643.00	20409.00	18030.00
C41 H56 Cl3 O3	12083.00	11236.00	11433.00	13194.00	12922.00	11100.00	11168.00	11453.00	13068.00	18702.00	10733.00	11215.00	13966.00	11827.00	13604.00	15560.00	10557.00	12260.00	9214.00	9411.00	11961.00	12012.00	18383.00	19486.00
C10 H9 N5 S	31574.00	27629.00	17705.00	15090.00	24331.00	26747.00	23595.00	25944.00	1.00	1.00	21294.00	13186.00	22603.00	17817.00	17889.00	21079.00	19980.00	20315.00	23401.00	22768.00	21520.00	22937.00	14316.00	14980.00
3-Dimethylallyl-4-hydroxymandelic acid	15988.00	14447.00	14943.00	15846.00	16244.00	15519.00	15635.00	13705.00	12787.00	15477.00	12650.00	12790.00	14692.00	11665.00	12000.00	12501.00	13639.00	11350.00	14661.00	14544.00	13364.00	14913.00	15223.00	15790.00
4,5'-Dimethylangelicin	1.00	1.00	9139.00	7685.00	8154.00	11255.00	8157.00	11234.00	8739.00	9734.00	9649.00	9917.00	11883.00	13327.00	17206.00	15939.00	20129.00	18548.00	19159.00	18103.00	20170.00	12318.00	12597.00	14583.00
C13 H17 O17	18375.00	20687.00	19360.00	18537.00	17361.00	17531.00	18309.00	18827.00	19814.00	19241.00	16756.00	18460.00	17010.00	20177.00	18447.00	17445.00	17629.00	15816.00	18956.00	18492.00	17586.00	15990.00	17245.00	17749.00
C31 H65 N24	17796.00	17303.00	18903.00	19065.00	18249.00	17633.00	19913.00	20918.00	1.00	1.00	18673.00	18885.00	18196.00	19551.00	16981.00	16535.00	17826.00	17609.00	18810.00	16530.00	20219.00	18232.00	13502.00	14937.00
Tropolone	19972.00	21554.00	14458.00	16228.00	14511.00	1.00	15842.00	1.00	1.00	1.00	17004.00	13792.00	19184.00	1.00	1.00	17204.00	15834.00	1.00	1.00	17259.00	16064.00	16092.00	1.00	15844.00
C6 H3 Cl N3 O4 S2	15412.00	15209.00	11837.00	12530.00	21148.00	18737.00	19583.00	17584.00	1.00	1.00	16144.00	18161.00	17615.00	17048.00	16948.00	16584.00	1.00	14247.00	22583.00	23745.00	13132.00	12302.00	1.00	15719.00
C29 H63 N30 O5	16946.00	21021.00	16575.00	15899.00	18057.00	20829.00	20315.00	17230.00	1.00	1.00	20525.00	18640.00	15915.00	15929.00	16640.00	15102.00	17386.00	15940.00	18729.00	19988.00	17391.00	17876.00	13698.00	14431.00
C13 H16 O12	22912.00	21483.00	18258.00	18996.00	18019.00	20441.00	21737.00	23472.00	20562.00	22184.00	24467.00	22067.00	25292.00	24930.00	20027.00	21637.00	25145.00	18357.00	21424.00	20911.00	23604.00	20410.00	20919.00	17240.00
Promacyl Esi-12.093997	20054.00	17475.00	17366.00	18781.00	16964.00	16765.00	17996.00	16765.00	16021.00	16038.00	15552.00	17698.00	14595.00	17372.00	16152.00	16334.00	18219.00	15835.00	17182.00	15871.00	13915.00	15275.00	14425.00	16621.00
C7 H3 Cl3 N2 O6 S3	13977.00	14515.00	1.00	1.00	13230.00	12115.00	15353.00	14061.00	1.00	1.00	13167.00	10313.00	11843.00	10013.00	1.00	1.00	1.00	1.00	13450.00	13810.00	1.00	1.00	9261.00	10899.00
C10 H4 O4 S2	12452.00	12783.00	17194.00	16033.00	15432.00	15062.00	14156.00	13872.00	1.00	1.00	14893.00	14992.00	16641.00	14492.00	18840.00	20050.00	13999.00	14507.00	12763.00	14293.00	21030.00	20619.00	1.00	7334.00
C17 H6 O14 S	14952.00	14699.00	13901.00	14672.00	15922.00	18931.00	14438.00	14621.00	1.00	1.00	17097.00	18100.00	14383.00	14785.00	15083.00	15356.00	13795.00	16457.00	15294.00	14616.00	16121.00	17008.00	9390.00	10429.00
C47 H53 N19	17957.00	18578.00	22127.00	20190.00	20372.00	20478.00	20513.00	21734.00	1.00	1.00	20340.00	18843.00	21016.00	21552.00	18228.00	22346.00	17208.00	19632.00	23165.00	20316.00	18471.00	21590.00	14562.00	13686.00
11S-hydroxy-hexadecanoic acid	11692.00	18181.00	8588.00	16044.00	13797.00	8929.00	8080.00	10297.00	13954.00	8452.00	11346.00	9079.00	10133.00	10212.00	12659.00	15307.00	15768.00	10303.00	16595.00	13539.00	16334.00	10938.00	12788.00	11583.00
C22 H2 O14 S	49889.00	50033.00	44065.00	44293.00	47159.00	45510.00	47551.00	47701.00	19283.00	20393.00	49048.00	46676.00	47508.00	46355.00	39548.00	41814.00	42181.00	41080.00	49141.00	47434.00	41909.00	43740.00	43811.00	42266.00
C32 H69 N26 O6 S	18098.00	17547.00	14079.00	18917.00	20014.00	17266.00	15678.00	19871.00	1.00	1.00	19703.00	20787.00	17698.00	15625.00	14639.00	16264.00	16873.00	15526.00	18541.00	18714.00	17682.00	19068.00	14747.00	14531.00
N-Hydroxy-L-phenylalanine Esi-1.5219996	18501.00	18344.00	14084.00	12580.00	12973.00	14388.00	13176.00	9170.00	1.00	1.00	13188.00	13209.00	15505.00	16235.00	15544.00	17710.00	14498.00	16237.00	16095.00	15244.00	11467.00	11640.00	12977.00	12810.00
C16 H26 N4 O14	15447.00	14558.00	13054.00	12117.00	11277.00	14497.00	13310.00	12672.00	13088.00	14828.00	9381.00	10580.00	10451.00	8545.00	9828.00	9228.00	10111.00	8544.00	9564.00	10710.00	11112.00	11465.00	11654.00	12824.00
C50 H67 N8 O7	19853.00	20216.00	20536.00	16634.00	23603.00	20737.00	19781.00	20721.00	1.00	1.00	18343.00	20643.00	19317.00	21570.00	18820.00	17490.00	19158.00	21249.00	21502.00	17177.00	19161.00	18540.00	13469.00	15540.00
C50 H53 N15 O3	27603.00	26452.00	25028.00	28571.00	29379.00	30168.00	29631.00	27889.00	1.00	1.00	26312.00	31271.00	24842.00	27175.00	25389.00	28299.00	26213.00	25608.00	24797.00	27694.00	29485.00	28698.00	18022.00	19205.00
Furfural	20836.00	18885.00	1.00	12776.00	12272.00	13855.00	10376.00	8240.00	1.00	1.00	1.00	1.00	11860.00	1.00	14323.00	17567.00	12781.00	11861.00	8751.00	10273.00	17614.00	18671.00	9417.00	7924.00
2-Dehydro-3-deoxy-D-xylonate Esi-1.5750003	10315.00	78124.00	23116.00	23896.00	26651.00	28369.00	17413.00	15006.00	1.00	1.00	13585.00	104361.00	188340.00	182374.00	266330.00	246861.00	22793.00	23592.00	134864.00	127758.00	136897.00	134035.00	88370.00	1.00
Gal?1-3GlcNAc?-Sp Esi-10.130999	9162.00	10384.00	18478.00	19277.00	9037.00	8999.00	14071.00	15620.00	10734.00	10490.00	19072.00	1.00	1.00	8027.00	1.00	1.00	8946.00	9081.00	1.00	1.00	8282.00	8243.00	8204.00	1.00
Volkenin	11708.00	12889.00	16596.00	18426.00	16744.00	16491.00	11752.00	12218.00	1.00	1.00	8803.00	8472.00	10851.00	10955.00	15483.00	14630.00	14245.00	13956.00	10780.00	9870.00	15240.00	17016.00	6493.00	7275.00
C10 H8 N O3 S Esi-1.521	12459.00	29180.00	47114.00	22665.00	42350.00	42753.00	17537.00	27760.00	1.00	1.00	14660.00	29311.00	41994.00	42268.00	46294.00	26071.00	21289.00	22824.00	34376.00	19627.00	18093.00	16833.00	12949.00	13073.00
C24 H14 N6 O9	14851.00	14463.00	14217.00	14890.00	14216.00	13789.00	15258.00	15129.00	15150.00	15845.00	13999.00	12989.00	13327.00	12929.00	13278.00	15096.00	13777.00	13646.00	14463.00	13976.00	16098.00	13885.00	13465.00	13872.00
C44 H85 N9 O4	18963.00	19709.00	17574.00	17692.00	19905.00	17697.00	19034.00	18707.00	1.00	1.00	17564.00	20596.00	18776.00	17478.00	14504.00	15128.00	15878.00	17996.00	20253.00	20092.00	17947.00	17245.00	14910.00	14226.00
C19 H22 N18 O4	9170.00	10045.00	9982.00	10714.00	11092.00	10782.00	9728.00	12304.00	14657.00	16886.00	11700.00	14166.00	12906.00	12968.00	14185.00	14390.00	11554.00	11835.00	11428.00	12521.00	14455.00	13612.00	18367.00	16747.00
C35 H73 N24	19638.00	21448.00	19025.00	19977.00	22576.00	22070.00	20809.00	21588.00	1.00	1.00	24246.00	19613.00	17712.00	21668.00	16574.00	19248.00	18742.00	19180.00	21152.00	22455.00	20304.00	20322.00	16549.00	16356.00
Dinoterb	20307.00	19117.00	16530.00	16458.00	15408.00	17290.00	12940.00	23380.00	21392.00	19230.00	20583.00	26299.00	16578.00	16634.00	21823.00	19720.00	14640.00	14824.00	18630.00	17119.00	17653.00	14647.00	20160.00	14805.00
C8 H5 Cl3 N3 O2 S4	18305.00	18780.00	9121.00	9168.00	11546.00	13790.00	14052.00	15431.00	8639.00	7814.00	14577.00	12284.00	11828.00	12262.00	9412.00	1.00	1.00	9151.00	14403.00	18686.00	10863.00	10252.00	14406.00	13819.00
C42 H51 N26 O2	16281.00	16001.00	15161.00	15663.00	20358.00	16257.00	18483.00	18098.00	1.00	1.00	18536.00	13582.00	16513.00	18638.00	16327.00	16635.00	16561.00	14240.00	19041.00	16205.00	14890.00	17498.00	11448.00	12611.00
C11 H30 N5 O11	16085.00	17290.00	15179.00	14118.00	16584.00	14487.00	15530.00	13818.00	14033.00	17219.00	18029.00	17878.00	13074.00	16491.00	16692.00	16758.00	18803.00	17295.00	18701.00	20616.00	17312.00	17064.00	17074.00	18659.00
C44 H63 N12	16452.00	16067.00	16502.00	17813.00	17945.00	17274.00	16568.00	17514.00	1.00	1.00	16548.00	16208.00	16548.00	17947.00	18718.00	17927.00	15233.00	17761.00	16359.00	16406.00	17417.00	14895.00	12173.00	12092.00
C37 H65 N17 O	13876.00	15037.00	18215.00	17548.00	18215.00	18536.00	17981.00	15924.00	1.00	1.00	19394.00	17932.00	18512.00	18224.00	14738.00	18295.00	17118.00	15567.00	17859.00	18049.00	17118.00	19816.00	12374.00	15021.00
Penicillamine	16125.00	17801.00	14762.00	13689.00	10472.00	11017.00	8175.00	6329.00	1.00	1.00	11834.00	12783.00	11791.00	8937.00	14512.00	16675.00	9839.00	9760.00	11330.00	11870.00	12209.00	11334.00	9501.00	8171.00
Ala Glu Gly	12747.00	13963.00	14537.00	14356.00	15558.00	15742.00	11066.00	11015.00	1.00	1.00	16499.00	16190.00	15460.00	12200.00	15530.00	14222.00	16824.00	17257.00	14074.00	14852.00	15914.00	17976.00	10273.00	10528.00
C42 H43 N24 O3	17594.00	12718.00	18685.00	14559.00	15635.00	15611.00	17977.00	16030.00	1.00	1.00	16953.00	17127.00	14854.00	17647.00	16222.00	18697.00	16056.00	17750.00	15546.00	16144.00	17917.00	17738.00	10469.00	13852.00
15-hydroxy stearic acid Esi-12.273997	39384.00	44616.00	39465.00	41186.00	86609.00	33653.00	32421.00	45057.00	35934.00	16655.00	25088.00	49313.00	83288.00	21284.00	33219.00	51204.00	86864.00	49148.00	41707.00	49813.00	22089.00	60029.00	46986.00	24421.00
C32 H69 N25 O3	18110.00	18321.00	15031.00	16812.00	18698.00	17810.00	18054.00	19464.00	1.00	1.00	17820.00	17893.00	20120.00	19597.00	16932.00	16785.00	16131.00	17412.00	19210.00	19104.00	18089.00	18681.00	13545.00	16515.00
C33 H68 Cl N20 O2 S3	19198.00	18270.00	19105.00	19307.00	21950.00	22519.00	20748.00	21050.00	1.00	1.00	17986.00	17807.00	22150.00	21183.00	19083.00	14057.00	18578.00	19638.00	17996.00	19210.00	21103.00	17820.00	16227.00	14510.00
Tolazamide	9215.00	9930.00	6335.00	7210.00	5120.00	5881.00	4862.00	4711.00	1.00	1.00	3329.00	4076.00	3755.00	4203.00	16362.00	15775.00	11676.00	10243.00	5753.00	4200.00	9830.00	10271.00	2971.00	2213.00
5-Methylcytidine	13676.00	16232.00	11691.00	11107.00	13902.00	14103.00	9142.00	8725.00	1.00	1.00	9227.00	10770.00	11744.00	12155.00	10961.00	11222.00	11368.00	9584.00	9625.00	10101.00	12493.00	13600.00	6266.00	6599.00
C17 H28 N5 O8 S	11698.00	16939.00	1.00	17679.00	18430.00	20026.00	16360.00	16308.00	11654.00	18479.00	12607.00	16467.00	1.00	16088.00	1.00	1.00	18828.00	12021.00	21009.00	20523.00	17439.00	16118.00	18605.00	17505.00
C48 H83 N O	16506.00	17754.00	16701.00	15338.00	15679.00	18098.00	14070.00	17892.00	1.00	1.00	15556.00	17448.00	15955.00	16519.00	14553.00	16097.00	15648.00	14108.00	17461.00	17421.00	15435.00	16133.00	12127.00	13075.00
Thyrotropin releasing hormone Esi-10.084	9603.00	9218.00	15782.00	10092.00	14257.00	10099.00	15161.00	11253.00	9544.00	14371.00	8583.00	11289.00	9082.00	13266.00	9055.00	10879.00	10709.00	10387.00	9773.00	18597.00	10752.00	12369.00	13040.00	12305.00
C44 H69 N10 O2	16417.00	15687.00	15706.00	15764.00	15349.00	17392.00	16414.00	17685.00	1.00	1.00	16176.00	16817.00	16560.00	18042.00	16476.00	15476.00	16664.00	15219.00	16886.00	15330.00	17057.00	16502.00	11995.00	12104.00
C11 H8 N4 O12 S	11487.00	10572.00	12466.00	11342.00	13019.00	11774.00	12105.00	11460.00	12341.00	12126.00	11718.00	11246.00	10672.00	7282.00	16306.00	16578.00	8681.00	9329.00	10183.00	10145.00	11089.00	10979.00	11236.00	11586.00
phenylglycol 3-O-sulfate	13901.00	13410.00	1.00	1.00	11703.00	10537.00	12382.00	12710.00	1.00	1.00	1.00	8004.00	8361.00	9466.00	12073.00	10387.00	14667.00	14438.00	9624.00	10348.00	11249.00	12394.00	7371.00	8140.00
C39 H20 N15 O6	12616.00	9516.00	10339.00	9997.00	16847.00	10343.00	12633.00	12439.00	11686.00	9984.00	12006.00	10585.00	17807.00	10636.00	13769.00	10557.00	10983.00	10139.00	12082.00	9509.00	10399.00	9362.00	13743.00	11255.00
5-Fluorouridine monophosphate	10772.00	9987.00	8039.00	7775.00	12647.00	12157.00	7286.00	1.00	11836.00	10884.00	15688.00	13783.00	10365.00	9844.00	10239.00	10680.00	1.00	1.00	1.00	1.00	7865.00	7471.00	1.00	1.00
C30 H46 O2	13857.00	10878.00	1.00	7056.00	9118.00	1.00	17946.00	8951.00	7693.00	9463.00	9051.00	9711.00	9694.00	8890.00	8915.00	10241.00	8176.00	7909.00	9725.00	8380.00	11359.00	9490.00	7957.00	1.00
C15 H10 N O15 S	13956.00	14008.00	13440.00	14580.00	14548.00	13694.00	13697.00	13258.00	1.00	1.00	16208.00	16143.00	11625.00	12377.00	12572.00	13609.00	13996.00	13282.00	13212.00	15152.00	13517.00	13906.00	7992.00	8845.00
Gly Cys Arg	10204.00	9288.00	7888.00	9117.00	10319.00	8793.00	9205.00	9854.00	9874.00	10817.00	11620.00	12892.00	9300.00	7945.00	11765.00	11937.00	15938.00	13806.00	7992.00	8083.00	8489.00	8713.00	10641.00	9718.00
Aureothin Esi-10.649	17097.00	13758.00	14120.00	15034.00	13662.00	11803.00	13448.00	14295.00	14303.00	11838.00	13004.00	14463.00	11847.00	15419.00	14757.00	14179.00	14128.00	13413.00	14796.00	15328.00	13837.00	15461.00	14531.00	15580.00
C4 H4 Cl N3 S3	6951.00	7304.00	7568.00	6824.00	7345.00	8540.00	7423.00	9328.00	1.00	1.00	7486.00	8730.00	10122.00	9169.00	8446.00	8975.00	9042.00	9035.00	6529.00	7319.00	10991.00	11465.00	6710.00	7755.00
C13 H11 N2 O15	16802.00	14627.00	16302.00	15292.00	15284.00	15374.00	15402.00	14952.00	14793.00	14447.00	13525.00	15046.00	15276.00	14918.00	14169.00	14389.00	15101.00	13592.00	14971.00	14699.00	14787.00	13513.00	14705.00	14364.00
C42 H81 N12 O3	23319.00	16504.00	14092.00	14043.00	20344.00	15252.00	19500.00	19206.00	1.00	1.00	14598.00	18113.00	15769.00	13375.00	13432.00	13220.00	14824.00	14239.00	18648.00	16504.00	13514.00	13486.00	15135.00	15676.00
C53 H63 N16 O	18578.00	14267.00	18251.00	17786.00	20220.00	23044.00	19787.00	21795.00	1.00	1.00	19688.00	19178.00	20849.00	20149.00	15639.00	18244.00	15951.00	13989.00	16656.00	20915.00	18099.00	20301.00	11586.00	15001.00
C31 H55 N24 O7	14649.00	16808.00	17911.00	17706.00	20608.00	19455.00	19096.00	18263.00	1.00	1.00	14016.00	21561.00	19214.00	17769.00	18763.00	17807.00	17807.00	16292.00	17222.00	16335.00	17743.00	18228.00	11244.00	11462.00
Dioxacarb	15923.00	21593.00	15018.00	21079.00	19606.00	14358.00	14128.00	17592.00	20445.00	14188.00	14726.00	17369.00	16868.00	17454.00	13143.00	16688.00	16267.00	12443.00	15491.00	14939.00	15439.00	17738.00	18949.00	17313.00
Ser His His Esi-11.155	10046.00	11271.00	8487.00	10908.00	10760.00	9785.00	10214.00	10070.00	10748.00	10998.00	10696.00	9247.00	9052.00	9963.00	8413.00	9707.00	13312.00	12778.00	10484.00	10260.00	9942.00	9009.00	8868.00	9629.00
Alteichin	14982.00	12926.00	7217.00	7291.00	10650.00	11082.00	9877.00	9297.00	1.00	1.00	6977.00	7239.00	7654.00	7199.00	14879.00	13478.00	8750.00	8817.00	7311.00	6582.00	15434.00	15105.00	1.00	1.00
C10 H4 N2 O5 S Esi-7.238999	18172.00	15964.00	16592.00	16523.00	17058.00	17868.00	17967.00	16554.00	18255.00	17905.00	16557.00	18061.00	18362.00	17788.00	19921.00	16190.00	16605.00	16261.00	18556.00	16239.00	17042.00	16712.00	17707.00	17020.00
C35 H50 Cl3 N22 O4	13201.00	14000.00	13521.00	12721.00	15028.00	15478.00	14641.00	15724.00	1.00	1.00	13963.00	15223.00	16033.00	15739.00	16265.00	16316.00	15467.00	15170.00	14205.00	14177.00	14235.00	15493.00	10525.00	10949.00
Metipranolol	12944.00	10492.00	1.00	11283.00	10531.00	10874.00	8359.00	14110.00	13939.00	12070.00	7294.00	9564.00	10563.00	7388.00	8015.00	7281.00	8993.00	1.00	11019.00	7758.00	13335.00	11379.00	11672.00	13600.00
Tropolone Esi-5.137	23922.00	21945.00	20699.00	24254.00	21951.00	22388.00	25567.00	21987.00	19821.00	19458.00	22846.00	22243.00	20185.00	22068.00	25191.00	21408.00	23111.00	22754.00	25414.00	23717.00	19225.00	19420.00	22746.00	18973.00
2,3-Diketo-5-methylthio-1-phosphopentane	16365.00	17324.00	10804.00	12074.00	17876.00	16534.00	9606.00	10336.00	11002.00	12598.00	10585.00	10862.00	8053.00	8424.00	13728.00	11551.00	15831.00	15044.00	11326.00	11648.00	12366.00	12753.00	11676.00	13051.00
MID58102:O-b-D-glucopyranosyl-(1-3)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1-3)-O-[6-deoxy-	12886.00	12902.00	15422.00	15047.00	15748.00	14351.00	15305.00	13629.00	1.00	1.00	15625.00	16718.00	16175.00	15246.00	15979.00	11528.00	16663.00	15936.00	14076.00	15526.00	13983.00	15760.00	8825.00	9884.00
C17 H2 N3 O18	12895.00	14572.00	12777.00	14529.00	14689.00	14795.00	14600.00	14362.00	1.00	1.00	15770.00	16625.00	16039.00	13000.00	15190.00	14833.00	15823.00	15558.00	15959.00	17913.00	16611.00	17372.00	14434.00	13847.00
Zearalenone	6842.00	7411.00	3507.00	5027.00	6523.00	6649.00	6016.00	6792.00	4255.00	5411.00	13336.00	13385.00	9395.00	9739.00	3750.00	3734.00	4412.00	4355.00	5164.00	4543.00	4949.00	4894.00	4460.00	4419.00
C11 H8 N4 O13	14053.00	14904.00	1.00	1.00	11454.00	10988.00	1.00	1.00	1.00	1.00	7086.00	7966.00	9241.00	8784.00	13365.00	13906.00	9332.00	9955.00	7822.00	7582.00	7468.00	8209.00	1.00	1.00
N-Acetyl-b-neuraminic acid Esi-0.927	8484.00	8279.00	14074.00	13922.00	35145.00	7002.00	28368.00	37413.00	1.00	1.00	35383.00	29726.00	31739.00	7058.00	17724.00	21195.00	13622.00	15538.00	37676.00	29583.00	12969.00	13189.00	25778.00	25655.00
C26 H22 N6 O2 Esi-10.541001	127254.00	125001.00	60368.00	65577.00	131100.00	127920.00	61620.00	58658.00	109794.00	112971.00	10460.00	76421.00	75817.00	74892.00	68073.00	68554.00	11489.00	91442.00	61284.00	60475.00	79954.00	11101.00	53164.00	54318.00
Saccharin	1.00	1.00	8925.00	9462.00	10489.00	10742.00	1.00	1.00	9453.00	8681.00	8692.00	7993.00	1.00	1.00	1.00	1.00	15949.00	16378.00	1.00	7193.00	8783.00	10500.00	1.00	1.00
Capillarin	13418.00	14131.00	7785.00	9609.00	11680.00	12135.00	12161.00	11430.00	9654.00	10097.00	1.00	1.00	1.00	1.00	7341.00	9658.00	8923.00	10136.00	9040.00	9888.00	1.00	1.00	10580.00	11498.00
C49 H79 N5 O4 S4	14953.00	12183.00	17620.00	16385.00	16973.00	13369.00	17608.00	20692.00	1.00	1.00	14315.00	17751.00	19271.00	17019.00	13288.00	12882.00	17603.00	14588.00	17380.00	19581.00	11689.00	16769.00	11561.00	13138.00
Triamcinolone Esi-10.976999	51756.00	55339.00	46425.00	52549.00	48632.00	47349.00	46468.00	44776.00	48252.00	52009.00	48878.00	45901.00	52041.00	46488.00	49930.00	45081.00	46631.00	50188.00	51742.00	55916.00	49255.00	51441.00	48006.00	49911.00
C47 H73 N2 O11 S2	12192.00	11056.00	16461.00	16290.00	18166.00	14522.00	15562.00	14287.00	1.00	1.00	15778.00	15073.00	15757.00	12833.00	12558.00	16040.00	14134.00	14139.00	12565.00	17381.00	12316.00	14898.00	10593.00	10322.00
C37 H19 N21 O4	11288.00	9000.00	9230.00	9293.00	16086.00	10153.00	11240.00	9770.00	10978.00	1.00	11052.00	9534.00	14282.00	8240.00	12458.00	1.00	9834.00	8571.00	10816.00	10144.00	10737.00	8237.00	11818.00	9482.00
Furmecyclox	11419.00	9081.00	7543.00	1.00	9927.00	9849.00	8498.00	8690.00	8617.00	9186.00	15003.00	10082.00	7714.00	7543.00	6924.00	8555.00	7196.00	7196.00	7713.00	7334.00	7050.00	8951.00	7880.00	6776.00
Dihydrocodeine-6-glucuronide	10131.00	10066.00	6207.00	5411.00	9794.00	10342.00	5198.00	5697.00	13338.00	11213.00	6503.00	5693.00	6365.00	6253.00	6113.00	6778.00	9582.00	8549.00	6300.00	5484.00	7386.00	7093.00	4893.00	5683.00
C56 H28 O4 S	9985.00	9299.00	1.00	8550.00	13503.00	8975.00	10008.00	8923.00	9804.00	1.00	9965.00	1.00	12670.00	9616.00	10777.00	1.00	1.00	1.00	10165.00	1.00	1.00	1.00	9876.00	1.00
methyl 8-[3,5-epidioxy-2-(3-hydroperoxy-1-pentenyl)-cyclopentyl]-octanoate	12282.00	12618.00	15726.00	15826.00	12598.00	14251.00	15837.00	13440.00	10999.00	10784.00	12659.00	11218.00	12421.00	13872.00	15576.00	14314.00	14591.00	13000.00	14507.00	14103.00	16321.00	15804.00	14273.00	12575.00
C59 H84 N5 O	36379.00	13164.00	7045.00	1.00	13009.00	1.00	17879.00	1.00	16165.00	9956.00	1.00	1.00	20484.00	12412.00	1.00	13371.00	1.00	12371.00	1.00	18038.00	1.00	1.00	1.00	15382.00
C33 H71 N27 O	14714.00	14425.00	10984.00	12761.00	14600.00	16110.00	16235.00	15888.00	1.00	1.00	14719.00	15562.00	12179.00	14084.00	10714.00	13998.00	9989.00	11530.00	17288.00	14792.00	12984.00	12127.00	11626.00	10827.00
C10 H12 N2 O7	11527.00	12339.00	11932.00	12739.00	10944.00	13237.00	10077.00	11272.00	10657.00	11013.00	9631.00	10331.00	9641.00	8939.00	10133.00	11154.00	10485.00	9781.00	10658.00	10209.00	9120.00	10065.00	10348.00	10406.00
Myristic acid	11523.00	12971.00	11752.00	10218.00	9136.00	13080.00	12164.00	10651.00	9931.00	10237.00	10263.00	11420.00	12076.00	11059.00	10536.00	13075.00	11309.00	11174.00	10324.00	12341.00	12208.00	10091.00	11407.00	10970.00
Phenolphthalein	7405.00	8182.00	8796.00	9413.00	8918.00	6739.00	8224.00	7491.00	8229.00	10079.00	1.00	1.00	8532.00	1.00	10934.00	7994.00	8465.00	7920.00	11324.00	13791.00	10186.00	10653.00	12290.00	12375.00
C30 H2 N2 O	8182.00	8525.00	7977.00	10329.00	8556.00	8451.00	8167.00	8001.00	7023.00	1.00	7609.00	8064.00	8056.00	8346.00	8200.00	10881.00	8242.00	9251.00	7190.00	9081.00	1.00	7259.00	7377.00	8450.00
PS(19:1(9Z)/22:2(13Z,16Z))	13108.00	10834.00	10703.00	13393.00	15015.00	13956.00	15273.00	15517.00	1.00	1.00	13792.00	14582.00	12480.00	13186.00	14269.00	12790.00	13037.00	13319.00	15235.00	14854.00	13377.00	12783.00	10666.00	10950.00
5-Hydroxysulfadiazine	15799.00	16583.00	1.00	10032.00	16183.00	15247.00	1.00	1.00	1.00	1.00	7788.00	1.00	10094.00	10529.00	9763.00	9639.00	11417.00	11820.00	9782.00	8287.00	12296.00	13057.00	1.00	1.00
3-Amino-2,3-dideoxy-scyllo-inosose	14671.00	14876.00	9912.00	11386.00	12100.00	10892.00	8781.00	9842.00	1.00	1.00	11396.00	10549.00	11349.00	12868.00	12864.00	12828.00	11638.00	11707.00	8438.00	8769.00	12445.00	14709.00	6013.00	6845.00
3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-methylcyclo-hexanecarboxylate	9426.00	9909.00	11011.00	9071.00	9930.00	8935.00	9449.00	9691.00	10809.00	10164.00	8776.00	10115.00	8591.00	9546.00	8791.00	8404.00	14094.00	14126.00	9276.00	9749.00	9633.00	9321.00	7363.00	8851.00
L-Lyxonate Esi-11.916002	9142.00	9317.00	10521.00	11069.00	11808.00	12060.00	13096.00	10434.00	12145.00	8973.00	10816.00	9196.00	14814.00	11107.00	11400.00	12602.00	6812.00	10489.00	9608.00	16241.00	9677.00	8822.00	10833.00	9557.00
C22 H22 O4	15672.00	15912.00	13659.00	13835.00	15010.00	13769.00	14767.00	15043.00	14660.00	16120.00	14016.00	11823.00	10487.00	13574.00	13386.00	13185.00	13692.00	12301.00	12722.00	12885.00	13595.00	12194.00	13503.00	12821.00
3,4,2'-Trihydroxychalcone	7792.00	6704.00	4754.00	5358.00	3095.00	3553.00	6969.00	7028.00	1.00	1.00	3214.00	3452.00	5743.00	5463.00	13148.00	14723.00	6312.00	5862.00	11130.00	10462.00	11783.00	14548.00	10478.00	11073.00
C11 H24 N3 O3 S2	5623.00	7258.00	6487.00	5590.00	2956.00	2627.00	8214.00	8559.00	1.00	1.00	4246.00	3382.00	7663.00	8240.00	14382.00	14649.00	7445.00	6500.00	12247.00	10639.00	12383.00	14391.00	10795.00	10941.00
Trinexapac-ethyl Esi-8.240999	9068.00	7982.00	7876.00	8539.00	8608.00	9679.00	7928.00	7758.00	6469.00	7705.00	1.00	9284.00	9539.00	1.00	1.00	1.00	1.00	9574.00	6709.00	8296.00	1.00	8612.00	1.00	11437.00
Acetylenic acids; 10,16-Heptadecadien-8-ynoic acid, 7-hydroxy, (E)-	11083.00	12010.00	12575.00	12489.00	10405.00	11335.00	9514.00	9888.00	10249.00	11484.00	11068.00	11239.00	10852.00	11114.00	11167.00	10532.00	10368.00	9388.00	10974.00	9412.00	10865.00	9466.00	10497.00	11937.00
C9 H9 N O9 S	16349.00	16574.00	19818.00	18724.00	18555.00	17768.00	19480.00	20875.00	22041.00	22211.00	22888.00	23813.00	23968.00	26876.00	22323.00	22375.00	22858.00	23699.00	24392.00	24299.00	23172.00	21045.00	19286.00	11145.00
C12 H7 O10	7210.00	6901.00	9601.00	11425.00	10778.00	10942.00	6885.00	8669.00	1.00	1.00	6386.00	1.00	8685.00	9130.00	13954.00	13751.00	12134.00	12990.00	7045.00	1.00	10949.00	11137.00	1.00	1.00
Ser His His Esi-10.084	14371.00	17849.00	10352.00	18511.00	19830.00	12219.00	17054.00	15774.00	12165.00	13012.00	1.00	11798.00	1.00	14248.00	9157.00	8722.00	8025.00	10979.00	17295.00	7192.00	9223.00	7400.00	20435.00	10318.00
C39 H59 N27 O4	12665.00	17689.00	14148.00	13923.00	18300.00	13793.00	15742.00	16510.00	1.00	1.00	11825.00	12344.00	14130.00	13672.00	12731.00	11885.00	13572.00	11181.00	14994.00	12915.00	12410.00	14865.00	10135.00	11886.00
C14 H8 O18	14951.00	14712.00	14231.00	13322.00	14168.00	12946.00	11550.00	13327.00	13117.00	13336.00	13195.00	13794.00	14447.00	14485.00	12616.00	12683.00	13591.00	12251.00	13389.00	12654.00	11996.00	13371.00	14035.00	12607.00
C5 H7 N4 O5	16046.00	13513.00	8520.00	10313.00	7297.00	6618.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	12723.00	14012.00	7067.00	6973.00	9375.00	8754.00	1.00	1.00
C13 H6 N4 O S4	6522.00	6462.00	2682.00	3347.00	12339.00	10690.00	9335.00	10351.00	1.00	1.00	7561.00	8338.00	7558.00	7702.00	1.00	1.00	3952.00	3809.00	9039.00	9183.00	2361.00	2953.00	3398.00	2905.00
C23 H20 N O18	14137.00	14691.00	13457.00	13080.00	13371.00	12824.00	13297.00	12614.00	13179.00	12434.00	12237.00	13344.00	12538.00	11986.00	12921.00	12400.00	12976.00	11629.00	12252.00	10835.00	11177.00	11981.00	13101.00	12842.00
4,4'-Methylenebis(2,6-di-tert-butylphenol)	11272.00	10845.00	9717.00	9638.00	8906.00	9545.00	9972.00	9770.00	10915.00	11000.00	11273.00	8418.00	9543.00	8782.00	10339.00	8389.00	8776.00	9907.00	9660.00	9832.00	10706.00	9973.00	12202.00	12223.00
C58 H74 Cl N6 O3	14451.00	13992.00	12863.00	13899.00	13234.00	11523.00	13599.00	11575.00	1.00	1.00	13089.00	12061.00	13780.00	12310.00	10906.00	11227.00	12226.00	12281.00	14309.00	13427.00	12690.00	13543.00	8980.00	10353.00
LacCer(d18:0/16:0)	11997.00	11205.00	8881.00	10204.00	10909.00	11446.00	9908.00	10601.00	1.00	1.00	10018.00	10436.00	12029.00	11527.00	10168.00	7837.00	10121.00	8522.00	12096.00	9425.00	11419.00	10442.00	8181.00	7366.00
C46 H20 N6 O4	11396.00	7607.00	9178.00	8793.00	14209.00	8509.00	10194.00	10041.00	9728.00	8273.00	10128.00	7910.00	14308.00	9293.00	10783.00	8208.00	8484.00	7729.00	11189.00	8878.00	8491.00	7585.00	10626.00	7766.00
C48 H98 Cl N4 O S	11799.00	11142.00	11392.00	11427.00	11510.00	11079.00	11953.00	11133.00	1.00	1.00	12821.00	13689.00	11779.00	10515.00	10408.00	10069.00	9417.00	11541.00	11833.00	10888.00	11068.00	11967.00	9915.00	10185.00
L-Glutamate	9991.00	8538.00	12536.00	11744.00	11985.00	9952.00	8450.00	7967.00	1.00	1.00	6921.00	6914.00	8622.00	9014.00	13146.00	13184.00	12434.00	11475.00	7222.00	7077.00	9549.00	10758.00	1.00	1.00
3,5,3'-Triiodothyropyruvate	12000.00	13841.00	10627.00	9508.00	11162.00	12016.00	12119.00	8740.00	1.00	1.00	11366.00	12432.00	11679.00	10932.00	10522.00	11184.00	8516.00	9620.00	13438.00	13335.00	11428.00	9703.00	10420.00	10143.00
C17 H40 N5 O3 Esi-0.88599986	16213.00	15812.00	1.00	1.00	13137.00	15073.00	17770.00	14664.00	11426.00	10302.00	14481.00	15355.00	14984.00	13563.00	1.00	1.00	1.00	1.00	18287.00	16811.00	1.00	1.00	14001.00	13787.00
Triamcinolone Esi-10.976999 :1	61176.00	59249.00	56391.00	57824.00	60108.00	57207.00	58094.00	55427.00	58268.00	60628.00	58021.00	54629.00	61053.00	55722.00	60045.00	53803.00	57959.00	60737.00	63632.00	66794.00	59997.00	60888.00	59226.00	58712.00
C41 H84 Cl N5 O10 S	19377.00	15919.00	16620.00	15713.00	18522.00	16633.00	17863.00	15714.00	1.00	1.00	19781.00	17077.00	16905.00	17161.00	15410.00	16693.00	17785.00	17924.00	16087.00	18080.00	17564.00	16348.00	11637.00	12151.00
Uplandicine	9689.00	10227.00	8502.00	8558.00	9196.00	8324.00	9117.00	9263.00	8925.00	7927.00	9650.00	11021.00	9257.00	9367.00	12088.00	11012.00	8929.00	10315.00	10100.00	10638.00	8602.00	7745.00	9225.00	10177.00
C56 H73 N2 O2	12432.00	13074.00	12260.00	11996.00	12564.00	13706.00	13033.00	12633.00	1.00	1.00	13581.00	10875.00	12536.00	12020.00	13273.00	10235.00	11293.00	11716.00	10749.00	14495.00	12599.00	13590.00	9957.00	9353.00
C10 H26 N2 O12	10489.00	10165.00	10334.00	12488.00	11309.00	10943.00	8111.00	10103.00	11056.00	10736.00	10742.00	9404.00	10095.00	9306.00	9511.00	12248.00	10308.00	10038.00	11113.00	11201.00	11861.00	8213.00	11081.00	10916.00
C19 H28 N4 O21	5136.00	5166.00	3413.00	3080.00	5255.00	5906.00	3744.00	2428.00	10704.00	11451.00	5202.00	6054.00	8091.00	7348.00	5959.00	4891.00	4265.00	4674.00	1.00	2159.00	2925.00	2738.00	4127.00	3671.00
4,7-dioxo-octanoic acid	14645.00	14406.00	12171.00	12061.00	17267.00	16346.00	14724.00	12190.00	13854.00	12478.00	14675.00	13342.00	12216.00	14135.00	11625.00	11996.00	14638.00	14786.00	16790.00	14372.00	14230.00	13007.00	12417.00	11872.00
C14 H35 N9 S	14575.00	16082.00	11827.00	13577.00	12217.00	11072.00	11192.00	11793.00	11346.00	12284.00	10511.00	11920.00	9215.00	11482.00	12536.00	12690.00	9625.00	9659.00	10101.00	11323.00	11044.00	10879.00	10145.00	13566.00
C49 H89 O4	17536.00	15455.00	10385.00	14433.00	15954.00	15998.00	16386.00	17778.00	1.00	1.00	13836.00	15913.00	15863.00	14938.00	13950.00	14432.00	11092.00	13432.00	17179.00	17407.00	14287.00	11107.00	12898.00	11683.00
C32 H51 N27 O2	12035.00	9622.00	12288.00	10572.00	14437.00	13221.00	9915.00	9882.00	1.00	1.00	13933.00	12734.00	13601.00	10212.00	11020.00	15746.00	8790.00	11027.00	12726.00	12013.00	11718.00	11510.00	10671.00	6685.00
C5 H2 N2 O4 S2 Esi-0.83799994	9738.00	9633.00	10939.00	10612.00	13306.00	12996.00	13002.00	14232.00	1.00	1.00	10742.00	12630.00	12400.00	11712.00	12525.00	14632.00	12327.00	11586.00	11741.00	13358.00	11525.00	12044.00	8727.00	6034.00
Glu Tyr Thr Esi-11.229003	10681.00	11308.00	11318.00	13741.00	11644.00	10985.00	12234.00	11290.00	12774.00	10000.00	11788.00	11055.00	11846.00	10855.00	10852.00	13553.00	11827.00	12394.00	12609.00	13724.00	11935.00	13387.00	11639.00	12788.00
C49 H16 N3	8966.00	6880.00	6439.00	1.00	12575.00	1.00	7157.00	6769.00	6800.00	6613.00	7448.00	6378.00	13485.00	7170.00	7417.00	1.00	1.00	7083.00	8893.00	6908.00	7560.00	7413.00	9144.00	8005.00
C38 H61 N19 O7	11699.00	9068.00	10872.00	11017.00	12291.00	10931.00	11428.00	13440.00	1.00	1.00	9580.00	11625.00	9669.00	11708.00	10553.00	10626.00	11536.00	9318.00	12372.00	11352.00	10986.00	11617.00	7207.00	8719.00
C8 H15 N O9	10193.00	8931.00	10182.00	10303.00	8837.00	10636.00	11294.00	10022.00	10167.00	9616.00	13063.00	11745.00	11241.00	10749.00	10441.00	12367.00	11041.00	9343.00	9358.00	10426.00	11473.00	10777.00	10645.00	11733.00
Aureothin Esi-10.423003	36407.00	38769.00	35533.00	37216.00	38417.00	41056.00	36720.00	39415.00	36440.00	37009.00	36505.00	40387.00	34753.00	38476.00	38117.00	39073.00	37626.00	38837.00	43391.00	43610.00	40188.00	39914.00	43911.00	39210.00
N-Acetylaspartylglutamic Acid	4721.00	5612.00	7759.00	11942.00	8398.00	8666.00	5806.00	5180.00	1.00	1.00	3290.00	4109.00	6178.00	6059.00	8131.00	9681.00	6207.00	7363.00	3885.00	3580.00	8573.00	9439.00	3024.00	3038.00
C39 H51 N25 O	10999.00	12299.00	10884.00	11158.00	12096.00	11290.00	11239.00	14614.00	1.00	1.00	11642.00	11006.00	12136.00	13107.00	12037.00	12230.00	12609.00	11803.00	11084.00	11882.00	11476.00	12684.00	8026.00	8983.00
C23 H10 N2	9075.00	1.00	7014.00	6520.00	12565.00	6760.00	8667.00	6950.00	8872.00	7893.00	8371.00	6922.00	13860.00	7211.00	8746.00	1.00	8470.00	7054.00	10195.00	7026.00	7692.00	1.00	10636.00	7403.00
C23 H7 Cl3 N3 O11 S5	12287.00	11534.00	11073.00	12887.00	12261.00	11027.00	11036.00	11744.00	1.00	1.00	11777.00	12716.00	11665.00	11275.00	9741.00	11192.00	11673.00	11389.00	10728.00	12185.00	10086.00	10553.00	9529.00	10431.00
C4 H4 N O4	1.00	1.00	6548.00	7171.00	8180.00	1.00	7329.00	1.00	1.00	1.00	1.00	1.00	8077.00	7948.00	8999.00	11961.00	10666.00	9853.00	9544.00	10466.00	10633.00	11033.00	1.00	6816.00
C24 H11 N2 O18	11950.00	10658.00	11998.00	10590.00	10993.00	11908.00	11028.00	10766.00	11655.00	12701.00	10894.00	10748.00	10223.00	10370.00	10430.00	9807.00	11043.00	10551.00	10960.00	11548.00	11197.00	11631.00	10920.00	12329.00
C40 H69 N22 O4	10786.00	10700.00	10126.00	10263.00	12175.00	10789.00	10471.00	11759.00	1.00	1.00	10649.00	12126.00	11408.00	10088.00	8707.00	8140.00	10749.00	10558.00	12570.00	10732.00	9554.00	10802.00	7855.00	8188.00
15-hydroxy stearic acid Esi-12.056	42338.00	35573.00	39661.00	40217.00	64618.00	43992.00	47682.00	43564.00	48911.00	41470.00	36519.00	41601.00	128043.00	41500.00	38634.00	37969.00	50827.00	39284.00	43030.00	41847.00	39992.00	46213.00	41755.00	39187.00
C8 H10 N2 O11 S	10520.00	9836.00	11020.00	7970.00	10074.00	9827.00	9720.00	8896.00	1.00	1.00	11166.00	10486.00	9272.00	8312.00	9110.00	8997.00	9038.00	9866.00	9867.00	9279.00	10084.00	8345.00	6461.00	7369.00
11S-hydroxy-hexadecanoic acid Esi-12.5180025	7197.00	14505.00	6585.00	12545.00	6783.00	13643.00	5647.00	7119.00	6781.00	7501.00	30474.00	5516.00	8561.00	10675.00	8094.00	13685.00	13792.00	8436.00	9478.00	6580.00	11891.00	7069.00	10726.00	7813.00
C34 H75 N14 O4	22568.00	21743.00	16917.00	20143.00	20472.00	20740.00	19438.00	21953.00	1.00	1.00	21024.00	20210.00	21940.00	19729.00	19443.00	22992.00	20145.00	16615.00	19265.00	20685.00	17057.00	18432.00	15469.00	16496.00
C17 H18 N3 O19 S	10000.00	11836.00	10454.00	11804.00	9876.00	9748.00	11406.00	10455.00	11543.00	9160.00	10759.00	12622.00	12736.00	12609.00	13018.00	12430.00	10416.00	11944.00	10623.00	10986.00	11201.00	10996.00	11677.00	9228.00
Enicoflavine	9186.00	7763.00	1.00	7602.00	12205.00	8678.00	6921.00	9276.00	8560.00	9936.00	11031.00	10551.00	1.00	1.00	9428.00	9190.00	8827.00	1.00	8520.00	9462.00	1.00	1.00	1.00	8531.00
C40 H59 N18 O4	10029.00	8117.00	9378.00	10540.00	11044.00	10690.00	9458.00	10588.00	1.00	1.00	8870.00	10770.00	11262.00	10533.00	10161.00	9441.00	9800.00	9697.00	9570.00	8366.00	10090.00	9262.00	8641.00	6342.00
Ochotensine	27199.00	26081.00	26771.00	27663.00	7846.00	27411.00	27961.00	28359.00	29010.00	24867.00	7354.00	31313.00	27514.00	10326.00	29897.00	28359.00	9201.00	28064.00	29927.00	31004.00	10590.00	30125.00	9859.00	31120.00
C6 H7 Cl N O4 S5	9084.00	11814.00	1.00	1.00	7566.00	10056.00	10548.00	10266.00	6463.00	1.00	7096.00	7033.00	7359.00	8808.00	1.00	1.00	1.00	1.00	8702.00	10360.00	1.00	1.00	7745.00	7287.00
C10 H8 N3 O13	8492.00	7525.00	5507.00	5464.00	9200.00	8457.00	4598.00	5549.00	7646.00	7625.00	10580.00	9895.00	6822.00	6642.00	6277.00	7666.00	4478.00	3870.00	2866.00	1.00	5671.00	4538.00	3639.00	2893.00
C12 H21 N10 O5	11046.00	11343.00	11182.00	10071.00	9464.00	9183.00	8297.00	9936.00	9044.00	7981.00	6921.00	5337.00	6939.00	5983.00	7973.00	7911.00	5557.00	5685.00	6379.00	4891.00	5474.00	5193.00	4852.00	5495.00
C15 H13 N2 O	7577.00	8338.00	8464.00	8252.00	9141.00	8950.00	9108.00	10144.00	8096.00	8715.00	9476.00	10902.00	8762.00	9159.00	11987.00	9586.00	10181.00	9172.00	8878.00	10098.00	8376.00	10397.00	8818.00	8943.00
Onitin	10522.00	8409.00	9051.00	10013.00	9859.00	9749.00	9895.00	9295.00	9008.00	10256.00	7351.00	8505.00	9778.00	9397.00	8992.00	7733.00	8130.00	8166.00	9800.00	10065.00	10169.00	10668.00	8852.00	8369.00
C30 H36 N19 O	9190.00	8949.00	9692.00	8085.00	9407.00	8704.00	8182.00	7979.00	7693.00	8536.00	6364.00	6306.00	6008.00	6396.00	6392.00	6770.00	1.00	1.00	6565.00	7112.00	7121.00	7300.00	7318.00	7610.00
C9 H20 N3 O9	6545.00	6991.00	7322.00	8349.00	7193.00	7643.00	5943.00	5861.00	1.00	1.00	8205.00	9940.00	1.00	1.00	6918.00	7036.00	7324.00	6607.00	6583.00	1.00	6491.00	6859.00	1.00	1.00
C38 H81 N17 O6	8674.00	8875.00	8467.00	7446.00	9289.00	9189.00	8990.00	10115.00	1.00	1.00	11006.00	8819.00	8420.00	9897.00	7722.00	8598.00	8357.00	7105.00	10248.00	9850.00	8287.00	10442.00	8451.00	7656.00
C13 H21 N4 O8	6893.00	5547.00	3574.00	4031.00	5904.00	4581.00	2189.00	1.00	9914.00	8064.00	2129.00	2558.00	4091.00	3453.00	3458.00	4027.00	5827.00	5212.00	3144.00	3521.00	4270.00	4899.00	3754.00	3772.00
C8 H8 N3 O6 S	11400.00	10651.00	11107.00	10487.00	9971.00	10352.00	9049.00	8944.00	1.00	1.00	10482.00	10940.00	9086.00	9331.00	9727.00	8915.00	10534.00	10011.00	9575.00	10688.00	9445.00	9218.00	1.00	7486.00
C43 H61 N O25	8539.00	6725.00	8907.00	10067.00	9534.00	9022.00	9456.00	10708.00	1.00	1.00	9799.00	9792.00	10073.00	9973.00	9644.00	9491.00	11023.00	9482.00	10148.00	8816.00	9563.00	9595.00	6641.00	6396.00
C15 H16 N14 O5	8087.00	6978.00	7812.00	7679.00	7385.00	7695.00	7335.00	7639.00	6930.00	7541.00	1.00	1.00	1.00	1.00	6734.00	6677.00	1.00	1.00	1.00	1.00	1.00	7056.00	7562.00	7055.00
C43 H77 N12 O4	9463.00	8639.00	7355.00	8225.00	9549.00	8620.00	7393.00	8944.00	1.00	1.00	8549.00	8263.00	8822.00	8194.00	8157.00	7766.00	8803.00	8347.00	9979.00	9605.00	8349.00	7985.00	6271.00	6984.00
C13 H12 N3 O15 S	9662.00	8732.00	8919.00	9878.00	8444.00	9164.00	1.00	1.00	8254.00	7956.00	8430.00	1.00	8398.00	8155.00	8474.00	8164.00	8213.00	8159.00	8586.00	9255.00	8705.00	9093.00	8573.00	8774.00
(S)-2-Ethyl-3-hydroxypropionic acid Esi-3.6320007	15798.00	13283.00	11050.00	14532.00	45811.00	12939.00	14307.00	20756.00	1.00	1.00	17319.00	13135.00	16876.00	10734.00	11990.00	15708.00	12444.00	17781.00	17990.00	1.00	23702.00	17354.00	1.00	14899.00
C36 H12	7030.00	6577.00	4368.00	5219.00	6328.00	5989.00	6771.00	6121.00	1.00	1.00	5665.00	6026.00	5324.00	5687.00	5006.00	6446.00	8430.00	7774.00	9988.00	8083.00	9594.00	8844.00	5309.00	5246.00
C36 H61 N29 O5	8695.00	8741.00	9036.00	8131.00	10143.00	9009.00	9896.00	9957.00	1.00	1.00	1.00	10536.00	8649.00	8611.00	8057.00	8699.00	1.00	8521.00	9318.00	8461.00	8125.00	6856.00	8579.00	6525.00
C39 H74 Cl N12 O5 S3	14647.00	15246.00	14311.00	13484.00	15565.00	14981.00	15878.00	16231.00	1.00	1.00	16442.00	17191.00	13520.00	14319.00	13919.00	12749.00	12485.00	12926.00	15933.00	14622.00	14401.00	13992.00	9731.00	9306.00
C19 H15 N17 O	10043.00	7188.00	7947.00	7626.00	7708.00	8139.00	7154.00	51496.00	6733.00	7386.00	6472.00	44316.00	6576.00	7071.00	7884.00	44325.00	45181.00	42901.00	6778.00	6599.00	47712.00	7359.00	6822.00	8300.00
Glu Tyr Thr Esi-10.981	27199.00	26081.00	26771.00	27663.00	19780.00	27411.00	27961.00	28359.00	29010.00	24867.00	23106.00	31313.00	27514.00	19030.00	29897.00	28359.00	20977.00	28064.00	29927.00	31004.00	20893.00	30125.00	22813.00	31120.00
N-Acetyl-5-hydroxysulfapyridine	1.00	1.00	7257.00	6807.00	7054.00	6649.00	1.00	1.00	1.00	1.00	1.00	1.00	6963.00	6631.00	7314.00	7279.00	8071.00	7398.00	6863.00	6909.00	1.00	6316.00	6546.00	7449.00
3-o-Ethyl-L-ascorbic acid	2568.00	2603.00	4401.00	5022.00	6724.00	8540.00	6248.00	5228.00	1.00	1.00	3921.00	3976.00	6392.00	6825.00	11095.00	8754.00	14647.00	15470.00	5857.00	5997.00	11563.00	11725.00	11556.00	10586.00
C17 H12 N9 Esi-6.1109977	8028.00	7160.00	67128.00	7668.00	59358.00	7556.00	6926.00	7979.00	7348.00	6412.00	56259.00	7115.00	56573.00	8159.00	6794.00	60759.00	51745.00	53680.00	56003.00	56938.00	58636.00	6798.00	7619.00	7495.00
15-hydroxy stearic acid Esi-12.052001	42337.00	45150.00	39661.00	40168.00	46218.00	33680.00	47673.00	43126.00	48786.00	46403.00	36519.00	41591.00	45209.00	41509.00	38551.00	48393.00	50649.00	37719.00	41864.00	42540.00	39769.00	46225.00	41744.00	39187.00
C17 H28 N5 O8 S Esi-10.981002	11698.00	16939.00	1.00	17679.00	18430.00	20026.00	16360.00	16308.00	11654.00	18479.00	12607.00	16467.00	1.00	16088.00	1.00	1.00	18828.00	12021.00	21009.00	20523.00	17439.00	16118.00	18605.00	17505.00
3-Hydroxy-2-naphthoate Esi-1.4209998	1607369.00	1593555.00	1890293.00	1.00	1.00	1.00	1.00	1655067.00	1.00	1.00	1312940.00	1260537.00	1.00	1782274.00	4968199.00	1727462.00	1583842.00	1640186.00	1669482.00	1722483.00	1596260.00	1607741.00	1372786.00	1338736.00
C4 H10 N2 O S4	1.00	1.00	249742.00	267179.00	1.00	58134.00	52120.00	1.00	264208.00	291294.00	248428.00	58958.00	56906.00	1.00	114728.00	241918.00	262100.00	261757.00	55049.00	185126.00	257268.00	273113.00	244556.00	1.00
Adenosine5'-monophosphate	63721.00	66240.00	1.00	1.00	1.00	1.00	3466.00	3371.00	35752.00	32431.00	1.00	1.00	4742.00	3720.00	4760.00	5635.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
aluminum acetate	1.00	89570.00	110153.00	114585.00	1.00	126633.00	103023.00	103894.00	22258.00	21571.00	46412.00	87972.00	110434.00	56474.00	121241.00	111439.00	55530.00	108823.00	109711.00	57052.00	101036.00	50048.00	112165.00	55883.00
C13 H6 N3 O S2	1.00	8697.00	1.00	14276.00	1.00	8383.00	7263.00	9457.00	1.00	6784.00	1.00	8767.00	6762.00	9413.00	7294.00	9735.00	8664.00	9765.00	1.00	10331.00	6971.00	7875.00	6946.00	13263.00
C32 H43 N27 O4	38835.00	36509.00	6961.00	6524.00	1.00	1.00	1.00	1.00	13618.00	13137.00	1.00	1.00	2219.00	3062.00	2541.00	2919.00	9690.00	9974.00	1.00	1.00	1.00	1.00	1.00	1.00
C11 H30 N10 O6	8063.00	8078.00	1.00	1.00	1.00	1.00	6693.00	7699.00	8477.00	8970.00	28979.00	25531.00	7247.00	7807.00	9189.00	9159.00	8631.00	8951.00	1.00	1.00	7433.00	6781.00	9691.00	8960.00
C17 H10 O7 S	8209.00	7874.00	7498.00	10211.00	1.00	6838.00	7695.00	8321.00	1.00	6586.00	6620.00	8074.00	1.00	7710.00	8903.00	10917.00	7794.00	9249.00	6554.00	8445.00	6995.00	7396.00	7015.00	10842.00
C22 H8 N2 O	8415.00	10163.00	8686.00	9253.00	1.00	8567.00	6859.00	8220.00	7485.00	7513.00	1.00	1.00	6704.00	6607.00	7778.00	11385.00	8030.00	6825.00	1.00	1.00	7276.00	7260.00	8878.00	8669.00
2-O-Caffeoylglucarate	8862.00	10532.00	6531.00	7182.00	1.00	1.00	1.00	6489.00	6426.00	1.00	1.00	1.00	1.00	6721.00	9238.00	9304.00	6803.00	1.00	1.00	7236.00	1.00	1.00	8216.00	7628.00
C13 H6 N O3	8465.00	8780.00	7143.00	6889.00	1.00	7801.00	1.00	9043.00	1.00	7550.00	1.00	7194.00	7602.00	7527.00	1.00	9003.00	1.00	7487.00	1.00	1.00	1.00	8240.00	1.00	8500.00
C12 H11 N2 O15	9128.00	8142.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	7428.00	7016.00	10840.00	11070.00	12121.00	11417.00	8457.00	9714.00	9720.00	9158.00