Compound	pC18-21aug17-001	pC18-21aug17-001	pC18-21aug17-002	pC18-21aug17-002	pC18-21aug17-003	pC18-21aug17-003	pC18-21aug17-004	pC18-21aug17-004	pC18-21aug17-005	pC18-21aug17-005	pC18-21aug17-006	pC18-21aug17-006	pC18-21aug17-007	pC18-21aug17-007	pC18-21aug17-008	pC18-21aug17-008	pC18-21aug17-009	pC18-21aug17-009	pC18-21aug17-010	pC18-21aug17-010	pC18-21aug17-011	pC18-21aug17-011	pC18-21aug17-012	pC18-21aug17-012
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
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate	20000000.00	19700000.00	10400000.00	10200000.00	16500000.00	16300000.00	32100000.00	32100000.00	18200000.00	18100000.00	10200000.00	10200000.00	16600000.00	16600000.00	12700000.00	12700000.00	18700000.00	18800000.00	11600000.00	11500000.00	17500000.00	17400000.00	17600000.00	17700000.00
Creatine	24600000.00	24000000.00	19500000.00	20000000.00	23000000.00	23200000.00	22000000.00	21700000.00	6738046.00	6700660.00	17800000.00	17600000.00	18200000.00	18000000.00	30000000.00	28700000.00	25500000.00	24300000.00	24000000.00	24000000.00	23800000.00	24100000.00	16800000.00	17000000.00
?-D-Glucose	16500000.00	16600000.00	13200000.00	13500000.00	14500000.00	14500000.00	14200000.00	14200000.00	1087755.00	1042776.00	12500000.00	12500000.00	13200000.00	12800000.00	15900000.00	16300000.00	16100000.00	16000000.00	12400000.00	12500000.00	15500000.00	15200000.00	9163666.00	9149301.00
Creatinine	12200000.00	12900000.00	10800000.00	11000000.00	13500000.00	13400000.00	12000000.00	11900000.00	1882885.00	1769050.00	12200000.00	12500000.00	13600000.00	13500000.00	12300000.00	12700000.00	10800000.00	10700000.00	15000000.00	15200000.00	10800000.00	11000000.00	7770090.00	7827106.00
13C6-phe	13400000.00	12900000.00	12100000.00	12200000.00	13000000.00	13100000.00	12100000.00	12000000.00	12600000.00	12700000.00	12100000.00	12100000.00	12200000.00	12100000.00	13200000.00	13400000.00	12300000.00	12200000.00	11500000.00	11600000.00	12600000.00	12600000.00	14500000.00	14200000.00
2-Amino-3-methyl-1-butanol	9893894.00	9638263.00	8283357.00	8389067.00	9772432.00	9721060.00	8492716.00	8502122.00	646089.00	656413.00	6710554.00	6481748.00	9228599.00	9133068.00	11600000.00	11600000.00	13000000.00	13000000.00	8583547.00	8707646.00	8845659.00	8690451.00	6714588.00	6742943.00
C27 H46 N3 O14	6355902.00	6308464.00	1638706.00	1640642.00	4460345.00	4349313.00	1917945.00	1788048.00	8792245.00	9045295.00	1540358.00	1452491.00	2468063.00	2343846.00	1704650.00	1784117.00	4004453.00	3926767.00	1324641.00	1255596.00	1842592.00	1839911.00	2742243.00	2759847.00
L-Valine	7631238.00	7384767.00	1763532.00	1772955.00	2505283.00	2617016.00	779289.00	806011.00	9206459.00	9228461.00	1492615.00	1416054.00	2487071.00	2422557.00	4036890.00	4125717.00	2416995.00	2307972.00	2886775.00	2823796.00	1504794.00	1406031.00	1634478.00	1585084.00
Acetylcarnitine	5401496.00	5297426.00	2141219.00	2192826.00	2562711.00	2549065.00	2767605.00	2688844.00	2101260.00	2191041.00	1566853.00	1573650.00	1877865.00	1841132.00	7929660.00	8118591.00	4140344.00	4119461.00	3183988.00	3165704.00	2263248.00	2181220.00	1825929.00	1772520.00
L-Arginine	6152182.00	6072470.00	5976493.00	5938081.00	5988335.00	5843320.00	5984036.00	5935690.00	2561820.00	2531891.00	4666249.00	4623168.00	5390358.00	5537627.00	5408844.00	5106692.00	4577935.00	4630159.00	5076345.00	5013161.00	4131091.00	4138472.00	4095645.00	4191409.00
Practolol	6696591.00	6602096.00	2963823.00	2888345.00	1903380.00	1802814.00	3015648.00	3014871.00	187874.00	190607.00	2081178.00	2141935.00	1519735.00	1508726.00	1974308.00	1999555.00	625130.00	624483.00	3377332.00	3383965.00	2690329.00	2717775.00	2571579.00	2615666.00
C25 H47 N O6	6289864.00	7066604.00	7424503.00	7429520.00	6695914.00	7055737.00	7384514.00	6538709.00	6548699.00	7411297.00	6725488.00	6784247.00	7249419.00	6516708.00	5667736.00	6614238.00	7313691.00	5966808.00	7060305.00	6560560.00	7048087.00	6655102.00	6836030.00	6102088.00
N-stearoyl glutamic acid	6618648.00	7385554.00	6698592.00	6669006.00	7336481.00	6626174.00	6357348.00	6665898.00	6676956.00	6292058.00	6090592.00	6125682.00	5964820.00	6440043.00	6433374.00	6506801.00	6537616.00	6268944.00	6304125.00	6447038.00	6375503.00	6428237.00	6269452.00	6187400.00
C20 H28 N3 O9	5017956.00	4974722.00	2973776.00	3000580.00	4102823.00	4034361.00	1701789.00	1620095.00	128045.00	127299.00	2025786.00	2085845.00	3140918.00	3017949.00	2593407.00	2475449.00	2692987.00	2806033.00	2360590.00	2298251.00	3443905.00	3427994.00	1359303.00	1396981.00
Carnitine	5527630.00	5687379.00	3187715.00	2937801.00	3517274.00	3569364.00	3589721.00	3589626.00	3329577.00	3427406.00	2327430.00	2303622.00	2966481.00	3054321.00	5907782.00	5854777.00	4236236.00	4208385.00	4360050.00	4392703.00	2626548.00	2683628.00	2721179.00	2656679.00
C29 H55 N O8	7637204.00	7527125.00	6981881.00	6854384.00	7538449.00	7301866.00	6932980.00	6660417.00	6456057.00	7279275.00	7015402.00	7394096.00	7110976.00	6555242.00	6738497.00	6854864.00	6807287.00	6786198.00	6750525.00	7014944.00	6786466.00	6241744.00	7007919.00	6564443.00
C5 H6 N5 O2	4600858.00	4469851.00	4757002.00	4845465.00	4840967.00	4929034.00	4347604.00	4355723.00	231792.00	221331.00	5669514.00	5735445.00	4338208.00	4350975.00	4413947.00	4459923.00	4919850.00	4953891.00	4528228.00	4389478.00	4835963.00	4901068.00	3700064.00	3677144.00
C27 H51 N O7	7822905.00	7663608.00	7577432.00	7703639.00	7922682.00	7973548.00	7454240.00	7551360.00	7490445.00	7514964.00	7731702.00	7340645.00	6969592.00	7177992.00	7269845.00	7783281.00	7239109.00	7112833.00	7517886.00	7578921.00	7381098.00	7340498.00	7043262.00	7877291.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate Esi+10.506	7657094.00	7556392.00	3948560.00	3809222.00	6552159.00	6450099.00	3221451.00	3164428.00	7347170.00	7141622.00	3492857.00	3420562.00	4102192.00	3957465.00	3561572.00	3503852.00	4939981.00	4895077.00	2981922.00	2948826.00	3811913.00	3730240.00	2595794.00	2722091.00
C6 H15 N O	1902323.00	1922881.00	1104253.00	1080658.00	1152651.00	1147918.00	1230957.00	1295610.00	5175096.00	5187056.00	2209823.00	2359666.00	1919229.00	1852249.00	1382583.00	1439061.00	975006.00	1067361.00	574433.00	672057.00	483835.00	478297.00	459486.00	471603.00
C23 H47 N8 O4	7946320.00	8080390.00	8067557.00	7585823.00	7647585.00	7555879.00	7238797.00	7873424.00	7920863.00	7388116.00	8003280.00	7861063.00	6692056.00	7588254.00	7856088.00	7460567.00	7390395.00	7660608.00	7496537.00	7772301.00	6498764.00	7313266.00	7549425.00	7658889.00
N-Oleoyl-L-Serine	5393095.00	4831224.00	4775758.00	5054558.00	5379471.00	5102395.00	4698354.00	4867144.00	5062647.00	5127293.00	4957351.00	4531730.00	4551327.00	4914413.00	4811941.00	4637308.00	4669912.00	5505211.00	4581927.00	4430623.00	5056679.00	4820820.00	5032617.00	5010134.00
C26 H54 O5	40840.00	50991.00	42038.00	40512.00	47104.00	55826.00	42760.00	47674.00	4919969.00	4911457.00	47040.00	65804.00	41607.00	39112.00	43857.00	57231.00	55074.00	43949.00	51289.00	41613.00	53126.00	41410.00	46179.00	49680.00
C31 H59 N O9	5966645.00	5955534.00	6401729.00	6306827.00	6221769.00	6242240.00	6814691.00	6846775.00	6200662.00	5574878.00	6273653.00	6118082.00	6140016.00	6264512.00	6396719.00	6066560.00	5951654.00	6047431.00	6187108.00	6097703.00	6062235.00	6026601.00	6312271.00	5930632.00
3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone	4514858.00	4519391.00	4643391.00	4636199.00	4659121.00	4618462.00	4555055.00	4611807.00	457354.00	438420.00	4559283.00	4592835.00	4614900.00	4461566.00	4433247.00	4334045.00	4409726.00	4384310.00	4516156.00	4575811.00	4366982.00	4339678.00	3763037.00	3669369.00
C22 H43 N5 O4	6870559.00	6657999.00	6454307.00	6378592.00	7123208.00	6564171.00	6813594.00	6347083.00	6198752.00	6858168.00	5481413.00	6429524.00	6163965.00	6485243.00	6839973.00	5576745.00	6456982.00	6019128.00	6822160.00	5615839.00	6565428.00	6566426.00	5498835.00	6549035.00
MG(0:0/18:0/0:0)	1264736.00	1273366.00	77233.00	78455.00	115195.00	117368.00	227455.00	189133.00	294333.00	203539.00	2064086.00	624622.00	56039.00	70045.00	108875.00	111539.00	130820.00	99702.00	283231.00	352814.00	96839.00	121396.00	2653917.00	2917936.00
Pyroglutamic acid	3700570.00	3575521.00	3355566.00	3418111.00	3758325.00	3752188.00	3251855.00	3280798.00	1015842.00	919993.00	4291583.00	4216951.00	3088155.00	3099422.00	3075246.00	3176925.00	3577814.00	3574574.00	3541430.00	3463562.00	3297910.00	3490353.00	3248677.00	3382852.00
C33 H63 N O10	5936237.00	5538057.00	5490822.00	5558010.00	5719587.00	5441583.00	5371061.00	5222973.00	5297809.00	5457660.00	5567837.00	5060197.00	5192105.00	5277078.00	5423191.00	5159483.00	4933260.00	4979535.00	5358556.00	5051036.00	5148548.00	5190338.00	5486898.00	5143403.00
Pantothenic Acid	2272000.00	2329532.00	3119260.00	3134643.00	3184778.00	3098016.00	2276484.00	2268163.00	43530.00	49259.00	1863922.00	1840592.00	2360081.00	2405391.00	3452897.00	3664490.00	3022944.00	3068957.00	1914972.00	1908716.00	3358918.00	3272766.00	1487453.00	1434972.00
Octylamine	2587562.00	2533886.00	3465080.00	3457258.00	2103833.00	2072400.00	3856619.00	3861158.00	1193410.00	1238872.00	1349498.00	1394909.00	1286820.00	1320015.00	3223080.00	3252770.00	1911793.00	1923898.00	2247536.00	2244814.00	3298341.00	3318731.00	1944718.00	1832695.00
C28 H55 N5 O6	6651206.00	6806726.00	7020152.00	7260032.00	6872489.00	6356028.00	6816708.00	7143782.00	6769119.00	6297203.00	6967420.00	7155110.00	6644014.00	6561394.00	6710452.00	7102559.00	7055452.00	6976740.00	6881214.00	6124131.00	6663616.00	6046251.00	6469178.00	6826260.00
Anhalonidine	3365751.00	3354959.00	3232709.00	3507768.00	3108381.00	1935094.00	3222661.00	3213182.00	3162690.00	3351404.00	3068923.00	3799017.00	3733300.00	3335038.00	3245488.00	2938418.00	3085802.00	3064382.00	5734507.00	3085729.00	3055179.00	3118656.00	3583436.00	3339348.00
Artonin K	3076178.00	3022333.00	2477284.00	2527204.00	2528539.00	2544548.00	2447061.00	2455920.00	131422.00	133818.00	1956721.00	2007969.00	2229268.00	2190538.00	3421686.00	3360658.00	3397917.00	3366185.00	1899099.00	2013498.00	2970058.00	3011843.00	1434543.00	1369507.00
C13 H22 O6	2529470.00	2447382.00	3391311.00	3448778.00	1792944.00	1755005.00	1804755.00	1819139.00	1441955.00	1398790.00	1761645.00	1748509.00	1522558.00	1481594.00	1607623.00	1631602.00	2405050.00	2431567.00	1594072.00	1674889.00	2773223.00	2774607.00	2169056.00	2222658.00
C35 H67 N O11	4778890.00	4507292.00	4434652.00	4411317.00	4556280.00	4712757.00	4329138.00	4175395.00	4411966.00	4346125.00	4299978.00	4488442.00	4246218.00	4179613.00	4286355.00	4290607.00	4239185.00	4057747.00	4164351.00	4326721.00	4290240.00	4128458.00	4297444.00	4107592.00
para-Phenylenediamine	3264288.00	3251337.00	3044016.00	2909372.00	3131381.00	3101520.00	2742524.00	2800237.00	3017401.00	3102056.00	2847071.00	2873478.00	2872527.00	2857819.00	3136059.00	3242437.00	2881681.00	2866890.00	2713954.00	2707503.00	2999404.00	2856369.00	3465699.00	3491221.00
Cytosine	3214639.00	3299049.00	2507786.00	2429389.00	2738937.00	2729083.00	1885209.00	1839904.00	771778.00	737060.00	2017024.00	1971281.00	2511880.00	2396673.00	2778390.00	2813400.00	2471308.00	2457434.00	2227527.00	2203677.00	2694976.00	2679333.00	1744618.00	1791130.00
Diethylene glycol	199398.00	227632.00	722486.00	739168.00	1422318.00	1488812.00	382057.00	401339.00	101860.00	108202.00	3336162.00	3288586.00	2218506.00	2254290.00	141059.00	148520.00	159371.00	175174.00	143194.00	167807.00	2443817.00	2420068.00	749919.00	726926.00
C7 N O6 S	3859551.00	3980370.00	3859506.00	3709598.00	3766482.00	3806511.00	3723802.00	3753650.00	738101.00	738419.00	3669525.00	3691236.00	3639943.00	3565040.00	3346948.00	3427056.00	3501823.00	3423181.00	3697631.00	3747505.00	3506591.00	3609275.00	3206365.00	3206995.00
C-6 Ceramide	2524994.00	2487365.00	2239621.00	2200635.00	2131991.00	2158064.00	2242268.00	2164792.00	2142268.00	2013997.00	2171650.00	2114383.00	2039540.00	2010684.00	2115973.00	2149417.00	2085104.00	2015899.00	2114974.00	2026070.00	2037972.00	1952396.00	2475344.00	2511363.00
Meradimate	2703771.00	2728971.00	2751179.00	2574562.00	2586217.00	2487100.00	2583870.00	2536292.00	2458698.00	2533515.00	2515075.00	2406483.00	2453220.00	2423848.00	2416538.00	2478925.00	2471711.00	2442300.00	2418966.00	2390900.00	2387695.00	2440710.00	2441700.00	2418465.00
3?,12?-Dihydroxy-5?-chol-6-en-24-oic Acid	2459291.00	2409981.00	2396394.00	2475697.00	2666457.00	2572017.00	2323229.00	2475305.00	2576382.00	2511755.00	2271683.00	2266995.00	2242953.00	2215423.00	2220384.00	2186049.00	2337358.00	2183113.00	2317049.00	2187164.00	2057274.00	2045184.00	2204706.00	2165345.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate Esi+10.506 :1	7651443.00	7509185.00	3938363.00	3809433.00	6551913.00	6449816.00	3221737.00	3165694.00	7350804.00	7135469.00	3492959.00	3422312.00	4103548.00	3956431.00	3562690.00	3506529.00	4941013.00	4887678.00	2767184.00	2950414.00	3812285.00	3729363.00	2596684.00	2721760.00
C9 H14 N4 O	1684318.00	1590473.00	907052.00	976092.00	2642163.00	2626236.00	811860.00	856601.00	921190.00	962008.00	1333882.00	1463823.00	722507.00	788477.00	828842.00	867406.00	1590083.00	1707247.00	2555850.00	2645510.00	528142.00	468960.00	756952.00	916799.00
Diethylene glycol Esi+1.2739999	134373.00	145382.00	437419.00	449835.00	949293.00	961191.00	250400.00	249890.00	152854.00	174157.00	2758796.00	2854432.00	1529508.00	1570401.00	46016.00	50643.00	69357.00	77142.00	71298.00	83210.00	1664592.00	1608906.00	517302.00	535278.00
Chamuvaritin	1740273.00	1794615.00	1025521.00	1015121.00	1559572.00	1511485.00	2282254.00	2311331.00	1660620.00	1629688.00	999855.00	980593.00	1456138.00	1458723.00	1122631.00	1123194.00	1603468.00	1632842.00	1025360.00	1012240.00	1498137.00	1452838.00	1458971.00	1453420.00
C19 H38 N2 O3	99731.00	98899.00	75344.00	80233.00	86782.00	83608.00	107102.00	107275.00	110895.00	107601.00	2227853.00	2282161.00	94444.00	95699.00	181557.00	186663.00	168478.00	174996.00	75085.00	85967.00	82274.00	83421.00	116442.00	111362.00
PA(21:4(6Z,9Z,12Z,15Z)/0:0)	1433764.00	1418606.00	771797.00	764802.00	1187078.00	1151737.00	2614201.00	2653613.00	1334744.00	1377581.00	819861.00	803211.00	1288077.00	1270589.00	1000294.00	1003957.00	1532936.00	1567059.00	922939.00	946243.00	1429667.00	1417730.00	1470827.00	1492674.00
C4 H N2 O S	641796.00	631527.00	502659.00	426653.00	733361.00	659659.00	680064.00	689175.00	530800.00	592059.00	637807.00	651133.00	655211.00	629033.00	2565180.00	2454253.00	654775.00	633343.00	1220117.00	1241445.00	618900.00	637769.00	750623.00	720757.00
Anhalonidine Esi+1.2000004	3532716.00	3705762.00	6411230.00	3887998.00	3795270.00	3669191.00	3539902.00	3448444.00	2943153.00	6866235.00	3568698.00	3691505.00	5903289.00	3386034.00	3721282.00	3651937.00	3694970.00	3537767.00	5874001.00	3543530.00	5906424.00	1565246.00	6027705.00	3530855.00
C37 H71 N O12	3366845.00	3137872.00	3268878.00	3299015.00	3320516.00	3316661.00	3001038.00	3089555.00	3122838.00	3410579.00	2998210.00	3139671.00	3162091.00	2872978.00	3068747.00	3063213.00	3115962.00	2905815.00	3102139.00	3124824.00	2963508.00	3095194.00	2980973.00	2973215.00
Triacanthine	1495074.00	1434232.00	559140.00	563416.00	672650.00	666818.00	707120.00	701967.00	524394.00	529459.00	426641.00	411199.00	496166.00	499083.00	2487215.00	2422438.00	1018986.00	1015521.00	796218.00	800109.00	575127.00	575082.00	465364.00	470955.00
C13 H25 N O2	1066840.00	1065729.00	437315.00	411120.00	1380624.00	1356858.00	342306.00	361044.00	1564321.00	1544680.00	1182348.00	1185793.00	649746.00	632424.00	737785.00	729328.00	691875.00	666395.00	1602190.00	1513167.00	662086.00	655659.00	861779.00	881000.00
2,3,5-Trimethacarb	2925740.00	3190836.00	2923079.00	3030370.00	2468849.00	2982428.00	2335058.00	2767349.00	3009440.00	3361244.00	3245862.00	2961145.00	2283743.00	3463622.00	2007647.00	2476587.00	2838076.00	2874994.00	3049329.00	2328255.00	2689941.00	3403462.00	1929656.00	2978008.00
LysoPC(18:2(9Z,12Z))	2376262.00	2368825.00	26087.00	26357.00	42777.00	39086.00	24451.00	18686.00	1423240.00	1450530.00	25959.00	24321.00	473743.00	474018.00	178241.00	180024.00	142052.00	138810.00	1.00	1.00	31211.00	34962.00	20882.00	19874.00
1-Aminocyclohexanecarboxylic acid	2337456.00	2251142.00	1212927.00	1223176.00	1466260.00	1465191.00	630655.00	598296.00	916203.00	941130.00	662987.00	707472.00	1435972.00	1436712.00	2195721.00	2263963.00	1121147.00	1179983.00	1407278.00	1277719.00	976321.00	904286.00	665425.00	651389.00
C9 H15 N2 O8	2122538.00	2091756.00	899097.00	962127.00	837319.00	847869.00	731069.00	728336.00	502278.00	518158.00	462963.00	463111.00	911405.00	936060.00	1087203.00	1051789.00	1122058.00	1119255.00	1211371.00	1130498.00	590724.00	542411.00	633543.00	619048.00
Deoxycytidine	1473708.00	1465623.00	1042198.00	1048242.00	1302744.00	1287390.00	691901.00	687829.00	77942.00	77203.00	767308.00	760356.00	981206.00	1016165.00	730652.00	753419.00	889200.00	913332.00	819194.00	813386.00	958465.00	986372.00	582389.00	568818.00
N?,N?,N?-Trimethyllysine	1034112.00	1086111.00	292380.00	289717.00	292894.00	280612.00	207856.00	217408.00	2095435.00	2093970.00	250503.00	237433.00	289651.00	293980.00	261038.00	275940.00	278384.00	264313.00	237658.00	246460.00	262776.00	260926.00	206975.00	211709.00
C32 H32 N7 O	1947419.00	1902295.00	1417937.00	1410503.00	1667933.00	1651750.00	950148.00	928667.00	2019192.00	1979590.00	907119.00	874840.00	961805.00	949339.00	768553.00	755854.00	1477048.00	1419006.00	628864.00	532837.00	907893.00	911311.00	591189.00	586663.00
C7 H14 N2 O6	885591.00	871816.00	1242401.00	1182222.00	1031129.00	1025694.00	1409189.00	1436424.00	98461.00	100219.00	1589104.00	1575282.00	1188786.00	1214719.00	1716366.00	1704646.00	2034092.00	1989879.00	1624271.00	1633622.00	2640613.00	2646729.00	1321161.00	1305841.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate Esi+10.506 :2	8488166.00	8374360.00	4414778.00	4245842.00	7310547.00	7190713.00	3592067.00	3536279.00	8179607.00	7934111.00	3903576.00	3814162.00	4568409.00	4405609.00	3971644.00	3910289.00	5511459.00	5435365.00	3341796.00	3303742.00	4232739.00	4151894.00	2890288.00	3031537.00
C19 H41 N	130832.00	125158.00	118290.00	116896.00	119852.00	116584.00	128511.00	127848.00	109374.00	117260.00	2095893.00	1743950.00	125143.00	121907.00	123886.00	116365.00	122894.00	119937.00	120046.00	113282.00	130173.00	102876.00	134174.00	129549.00
Deoxymiroestrol	285143.00	281124.00	681855.00	313484.00	310228.00	260672.00	229216.00	604412.00	267369.00	785879.00	590007.00	270010.00	226637.00	602374.00	239666.00	623477.00	221568.00	208027.00	183080.00	278221.00	590877.00	650804.00	241249.00	577283.00
Niacinamide	2147617.00	1994425.00	1079386.00	1111644.00	1219700.00	1258134.00	1444166.00	1551989.00	528928.00	518413.00	909620.00	883671.00	989981.00	1021493.00	1491016.00	1440573.00	1254162.00	1206238.00	1481990.00	1438003.00	1081309.00	1104547.00	958724.00	919382.00
C17 H36 O3	1654912.00	483905.00	2150458.00	2078758.00	1094172.00	1066167.00	979340.00	339473.00	432660.00	505000.00	1640520.00	473827.00	920899.00	293990.00	982926.00	312543.00	1691600.00	1659236.00	185635.00	799869.00	1901027.00	1930030.00	304922.00	316897.00
2-Hydroxypyrene	1788039.00	1767894.00	1338975.00	1367325.00	1670945.00	1614335.00	1644673.00	1541952.00	398637.00	384528.00	1470218.00	1350927.00	1404931.00	1444543.00	1096050.00	1053505.00	929973.00	965084.00	1656477.00	1629474.00	1054449.00	1058221.00	1040270.00	992005.00
C7 N O6 S Esi+0.8409997	3860135.00	3980370.00	3859581.00	3709598.00	3766482.00	3805244.00	3723802.00	3753593.00	737131.00	738553.00	3669525.00	3691239.00	3639943.00	3565132.00	3347221.00	3427056.00	3501823.00	3423181.00	3697631.00	3747505.00	3506591.00	3609103.00	3206365.00	3206995.00
C3 H9 N S2	733634.00	714325.00	1094630.00	1190188.00	1459437.00	1452715.00	1284498.00	1316354.00	181726.00	167122.00	1398502.00	1291065.00	1292970.00	1275837.00	1512968.00	1534001.00	1544649.00	1534684.00	1294638.00	1304494.00	1439999.00	1456668.00	802614.00	740413.00
C17 H36 O3 Esi+12.631001	1688857.00	1618577.00	2023632.00	1862032.00	970617.00	1018398.00	990246.00	1032767.00	1451473.00	428211.00	1656810.00	469915.00	584439.00	274833.00	280045.00	301073.00	1441179.00	1448400.00	229132.00	227363.00	556560.00	588553.00	313622.00	310865.00
Dichloromethane	408671.00	399609.00	305101.00	316721.00	450478.00	466170.00	428016.00	430533.00	318461.00	311726.00	405804.00	389186.00	424940.00	403078.00	1516621.00	1603581.00	426851.00	427240.00	603387.00	646900.00	419149.00	407934.00	482823.00	476269.00
C39 H75 N O13	2024259.00	1893170.00	1696767.00	1945764.00	2004507.00	2031897.00	1906008.00	1881711.00	1908350.00	1975302.00	1991088.00	1880604.00	1915659.00	1841680.00	1880410.00	1984514.00	1763232.00	1905771.00	1859315.00	1903464.00	1926796.00	1839672.00	1796584.00	1761995.00
C31 H54 N2 O15	1138232.00	1139621.00	302352.00	298604.00	785407.00	762264.00	363645.00	334389.00	1516634.00	1512309.00	291391.00	280145.00	493157.00	457591.00	333637.00	343707.00	723837.00	715010.00	271937.00	250711.00	353562.00	359680.00	544992.00	545632.00
C5 H3 N2 O S	434389.00	425031.00	340518.00	342632.00	479834.00	461357.00	436186.00	416787.00	312509.00	323511.00	414360.00	413534.00	419678.00	430513.00	1434245.00	1464043.00	402937.00	355571.00	640175.00	619892.00	389285.00	382454.00	480509.00	469224.00
Isonicotineamide	2447246.00	2449585.00	1400494.00	1409791.00	1638080.00	1558091.00	1897719.00	1870930.00	536124.00	534899.00	1214110.00	1217335.00	1314805.00	1289363.00	1767267.00	1803088.00	1481773.00	1507303.00	1779964.00	1793582.00	1416167.00	1359958.00	1168989.00	1186560.00
1-Palmitoyllysophosphatidylcholine	1468024.00	1397899.00	67378.00	71357.00	67555.00	64807.00	52884.00	58318.00	557690.00	558925.00	67173.00	65704.00	263808.00	261153.00	104637.00	113058.00	116381.00	112373.00	40169.00	43019.00	44774.00	43132.00	66339.00	69428.00
5-Methylcytidine	2625770.00	2587900.00	1112009.00	1176012.00	1033816.00	1039160.00	896658.00	902799.00	883655.00	902993.00	595895.00	582906.00	1131792.00	1159132.00	1339047.00	1300878.00	1382444.00	1376976.00	1490340.00	1392977.00	733076.00	684127.00	838604.00	820839.00
Di(2-ethylhexyl) adipate	1298999.00	1246490.00	1338546.00	1262088.00	1307571.00	1311558.00	1095301.00	1286966.00	1219175.00	1246509.00	1186025.00	1227476.00	1256239.00	1167353.00	1131505.00	1240224.00	1193422.00	1204144.00	1183397.00	1231747.00	1186461.00	1145527.00	1168839.00	1205177.00
DMPO	1555286.00	1393080.00	1349085.00	1313102.00	1075047.00	1074592.00	1027656.00	1116749.00	946639.00	1009689.00	1403801.00	1458400.00	1099367.00	1053762.00	915355.00	960434.00	937982.00	856178.00	859982.00	869098.00	1059591.00	1052660.00	915625.00	904125.00
Cytosine Esi+1.5239996	1380751.00	1468771.00	998145.00	961934.00	1288070.00	1250061.00	664456.00	652398.00	101097.00	100413.00	688531.00	661692.00	895235.00	909606.00	764024.00	783050.00	829403.00	862429.00	817521.00	799615.00	929580.00	1003624.00	571506.00	591365.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate Esi+10.506 :3	8318952.00	8209888.00	4366510.00	4198417.00	7168587.00	7056655.00	3551856.00	3502251.00	8013828.00	7772208.00	3861991.00	3770702.00	4502171.00	4351460.00	3927198.00	3863339.00	5422754.00	5360424.00	3312376.00	3268069.00	4194223.00	4099801.00	3067350.00	3002847.00
C6 Cl2 S2	1519996.00	1581492.00	1690532.00	1638460.00	1519760.00	1553661.00	1541050.00	1566491.00	129771.00	134559.00	1529209.00	1543100.00	1580460.00	1580230.00	1521032.00	1537207.00	1509590.00	1500066.00	1450014.00	1521919.00	1551610.00	1545378.00	1187898.00	1221839.00
Sinapic acid	327166.00	347621.00	303114.00	282508.00	207340.00	219099.00	424413.00	430278.00	20432.00	20443.00	193079.00	196027.00	451442.00	465154.00	900524.00	940243.00	437468.00	434581.00	703182.00	713361.00	1246493.00	1264735.00	622676.00	614737.00
Montanol	1736346.00	1755427.00	1653341.00	1684627.00	1761351.00	1644467.00	1666237.00	1641063.00	1568910.00	1713807.00	1674531.00	1678323.00	1853095.00	1511609.00	1415728.00	1647732.00	1633247.00	1646371.00	1209354.00	1594152.00	1654978.00	1572566.00	1598963.00	1590759.00
Proline	1230860.00	1295904.00	179257.00	177522.00	268753.00	274647.00	163694.00	145221.00	1231871.00	1184744.00	145531.00	150890.00	244520.00	220688.00	627780.00	635182.00	283182.00	297329.00	242460.00	243507.00	176702.00	179174.00	193261.00	184693.00
Lentiginosine	1057739.00	1083554.00	847977.00	965812.00	1113573.00	1119690.00	726042.00	724491.00	345698.00	367044.00	726203.00	692244.00	1190335.00	1113706.00	1194780.00	1280028.00	654871.00	583895.00	883522.00	906970.00	701581.00	709223.00	565016.00	504228.00
C48 H23 N2	750749.00	752310.00	955960.00	730681.00	955747.00	717410.00	731768.00	727318.00	718583.00	723888.00	1042527.00	679645.00	764016.00	687906.00	840620.00	682237.00	655684.00	680835.00	664218.00	670613.00	775320.00	667365.00	1320276.00	668599.00
Desflurane	908691.00	963154.00	293495.00	229885.00	857587.00	891096.00	1197517.00	1077754.00	536823.00	539413.00	962085.00	870739.00	760403.00	754078.00	128746.00	117987.00	349603.00	283417.00	1172323.00	1187984.00	225632.00	277716.00	644820.00	645533.00
Val Pro Trp	23300.00	10044.00	48108.00	24626.00	25519.00	6954.00	962224.00	991431.00	43824.00	9867.00	22642.00	9710.00	18638.00	8921.00	25317.00	15035.00	39860.00	1.00	85220.00	16351.00	39183.00	11014.00	41460.00	10846.00
Inosine	1042531.00	1071858.00	295258.00	284412.00	408572.00	403984.00	430463.00	426226.00	1.00	1.00	274686.00	271670.00	225727.00	224201.00	1231737.00	1265965.00	667390.00	702131.00	440489.00	441341.00	488893.00	494514.00	383892.00	362634.00
C39 H20 O3	787924.00	785735.00	989312.00	739242.00	1019749.00	738790.00	772721.00	759832.00	759788.00	754169.00	1007494.00	711411.00	827713.00	729295.00	910647.00	680055.00	682447.00	683667.00	706017.00	678412.00	807555.00	687162.00	1290621.00	666843.00
C12 H23 N O6	736852.00	717787.00	1065541.00	1013833.00	538069.00	519975.00	528007.00	539184.00	440837.00	443544.00	504386.00	518103.00	438576.00	461246.00	479773.00	493645.00	689615.00	681752.00	464700.00	469163.00	774313.00	774237.00	610522.00	624523.00
2,3,5-Trimethacarb Esi+1.5660006	1155246.00	1283322.00	1170192.00	792345.00	713584.00	1205761.00	741338.00	1263439.00	867717.00	908305.00	694477.00	1087853.00	723526.00	1148679.00	1128115.00	722517.00	687285.00	1241649.00	708039.00	1115476.00	1075389.00	703883.00	694254.00	692082.00
C7 H10 N4	998941.00	995345.00	731062.00	779521.00	1158344.00	1198161.00	664727.00	712061.00	714175.00	772561.00	737686.00	774429.00	675289.00	694273.00	720749.00	692397.00	743880.00	795672.00	1008549.00	1125949.00	563787.00	592331.00	531536.00	642125.00
C13 H23 N10	1049586.00	1031196.00	57734.00	56459.00	104650.00	94629.00	69028.00	64581.00	75015.00	72099.00	30019.00	24375.00	91005.00	81095.00	108223.00	105221.00	169428.00	178734.00	94542.00	96557.00	24420.00	25378.00	63161.00	66516.00
Deoxycytidine Esi+1.2509998	6235372.00	6174649.00	4155682.00	4164178.00	5275870.00	5205727.00	2637322.00	2542065.00	528832.00	513216.00	3067601.00	3142108.00	4229303.00	4098720.00	3319381.00	3193272.00	3643418.00	3737388.00	3335545.00	3257647.00	4399280.00	4388150.00	2203253.00	2242083.00
C7 H11 N5 O2	1605740.00	1676208.00	1034065.00	1000255.00	1100210.00	1119989.00	1124683.00	1093378.00	365949.00	377043.00	959537.00	970651.00	982763.00	955200.00	1137246.00	1169196.00	1213983.00	1207338.00	956989.00	954978.00	1110049.00	1137272.00	778187.00	762596.00
C13 H16 N14 O5	242716.00	232815.00	831033.00	831618.00	476591.00	477450.00	603798.00	620971.00	216466.00	201704.00	906461.00	893942.00	460407.00	459383.00	375888.00	377995.00	513747.00	515146.00	494930.00	488196.00	646682.00	655977.00	264732.00	255639.00
Pirimicarb	506836.00	501723.00	432769.00	459696.00	762388.00	790565.00	505301.00	522120.00	605632.00	621874.00	978949.00	1015682.00	421906.00	458122.00	452608.00	472117.00	523044.00	566307.00	647107.00	661538.00	402642.00	397137.00	722000.00	765321.00
Actinidine	951685.00	984441.00	627821.00	677509.00	983970.00	1014432.00	920436.00	833918.00	109801.00	109453.00	608310.00	595805.00	925630.00	889553.00	766029.00	777413.00	1072554.00	1073456.00	952262.00	890272.00	743342.00	720309.00	654010.00	660086.00
Aprobarbital	1040491.00	1013935.00	431155.00	418605.00	305019.00	292700.00	432930.00	456339.00	46127.00	44583.00	342880.00	327092.00	252927.00	250845.00	316644.00	319380.00	128015.00	131348.00	514279.00	523418.00	435148.00	422588.00	418170.00	419203.00
Monocerin	606193.00	610599.00	378932.00	358941.00	559036.00	581222.00	677806.00	680967.00	34964.00	34295.00	517589.00	527041.00	480076.00	463743.00	471016.00	487035.00	708337.00	712626.00	983320.00	992458.00	784847.00	799428.00	608644.00	604180.00
Hypoxanthine	155958.00	146272.00	622897.00	629180.00	673195.00	658294.00	925673.00	933588.00	17739.00	16266.00	552089.00	542029.00	456532.00	445437.00	537096.00	521486.00	710809.00	688388.00	848442.00	847331.00	434964.00	458322.00	620030.00	617364.00
4'-Hydroxytrimethoprim	1139486.00	937931.00	976980.00	1026017.00	1149057.00	1003855.00	847503.00	1010903.00	891912.00	1033081.00	988953.00	975291.00	747318.00	869775.00	871755.00	880072.00	798403.00	908402.00	1028693.00	843829.00	772966.00	880928.00	838500.00	714205.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate Esi+10.240998	1788671.00	1759912.00	1211337.00	1251782.00	1685482.00	1683882.00	1121570.00	1120793.00	2116450.00	1991245.00	1023099.00	1076865.00	1265562.00	1301722.00	1214593.00	1233373.00	1623654.00	1608414.00	1046441.00	1009410.00	1350131.00	1418149.00	1041227.00	1053090.00
Ile Ser Asp	543931.00	532773.00	389136.00	378230.00	560448.00	578675.00	570103.00	563646.00	60229.00	57439.00	394245.00	388358.00	503876.00	509352.00	679628.00	684679.00	826944.00	823187.00	775788.00	775882.00	908914.00	880432.00	958564.00	954815.00
C4 N O4 S	1173415.00	1187071.00	1176762.00	1180025.00	1102349.00	1096073.00	1104261.00	1100923.00	328488.00	329092.00	1067861.00	1157622.00	1159765.00	1150285.00	1004920.00	1052641.00	1093704.00	1040400.00	1086419.00	1081996.00	1141249.00	1122927.00	957412.00	1002745.00
C43 H25 N8 O3	702342.00	687563.00	845144.00	663803.00	832301.00	651695.00	662423.00	664989.00	635776.00	652790.00	907862.00	619988.00	711936.00	607161.00	733538.00	614891.00	595702.00	615774.00	598213.00	593067.00	718571.00	611251.00	1069638.00	610005.00
Hypoxanthine Esi+1.5239997	219296.00	215088.00	736619.00	741897.00	872777.00	869322.00	973667.00	971535.00	1.00	1.00	619370.00	597102.00	491072.00	510036.00	675439.00	685500.00	832167.00	845803.00	925550.00	930429.00	511276.00	536143.00	583591.00	574765.00
C3 N O S	288913.00	292927.00	235779.00	230700.00	345566.00	344353.00	313367.00	315934.00	244412.00	235646.00	311638.00	291424.00	291911.00	301711.00	971210.00	1004187.00	312391.00	303522.00	468395.00	488876.00	302447.00	305522.00	336649.00	369758.00
C10 H2 N3 O	908362.00	906875.00	777908.00	817695.00	1111378.00	1112028.00	1115695.00	1094498.00	1450433.00	1425717.00	1012390.00	1039943.00	781919.00	749291.00	808157.00	829532.00	817340.00	826553.00	681409.00	676314.00	840803.00	828167.00	801450.00	800044.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate Esi+9.9559965	814031.00	802629.00	471756.00	487355.00	748020.00	690400.00	380316.00	368698.00	778512.00	749797.00	412244.00	419160.00	456032.00	447650.00	480602.00	460712.00	586254.00	565665.00	352525.00	354524.00	461794.00	440569.00	339314.00	313701.00
C15 H24 O6	133887.00	129134.00	236117.00	227196.00	391023.00	393148.00	662138.00	680272.00	506924.00	509354.00	307103.00	318868.00	617220.00	635430.00	1034418.00	1036112.00	287733.00	293201.00	162235.00	162182.00	171508.00	174109.00	331536.00	315281.00
C5 H4 N6 O	508368.00	485009.00	639354.00	641861.00	843658.00	842089.00	686860.00	672783.00	102772.00	108868.00	663489.00	676153.00	657545.00	641833.00	713330.00	733258.00	734182.00	723536.00	642757.00	634908.00	689191.00	679839.00	484116.00	493700.00
C13 H22 N4 O3	466758.00	478814.00	420742.00	464095.00	845752.00	862133.00	502354.00	493224.00	678431.00	676399.00	780868.00	834200.00	420082.00	454763.00	454946.00	452427.00	434916.00	480329.00	569232.00	570814.00	399445.00	441451.00	510033.00	558977.00
C16 H20 N4 O2	114530.00	99967.00	210442.00	211464.00	371426.00	394826.00	566819.00	595489.00	459191.00	468512.00	268405.00	267352.00	558379.00	580902.00	836210.00	858023.00	255102.00	259845.00	139624.00	126516.00	136426.00	155814.00	249418.00	271818.00
THTC	640886.00	628692.00	623462.00	640313.00	600041.00	589377.00	403227.00	400249.00	118399.00	121106.00	509101.00	512935.00	530604.00	533314.00	905131.00	920345.00	559529.00	556470.00	541851.00	555245.00	628334.00	620270.00	433376.00	426032.00
LysoPC(20:4(8Z,11Z,14Z,17Z))	937168.00	918166.00	55986.00	58858.00	48149.00	41084.00	24995.00	23026.00	523751.00	517266.00	27460.00	25379.00	225198.00	227663.00	82375.00	83019.00	75067.00	74532.00	8702.00	1.00	22625.00	20474.00	13029.00	10436.00
C11 H6 N2 O10	960251.00	915863.00	786367.00	773894.00	873777.00	883708.00	861504.00	867798.00	808433.00	737270.00	804247.00	789107.00	770765.00	772576.00	841552.00	855484.00	776535.00	780036.00	833532.00	848406.00	684315.00	711589.00	769969.00	746158.00
Belladine	859860.00	826749.00	849962.00	889007.00	845279.00	934099.00	900326.00	881817.00	848391.00	888680.00	872510.00	823656.00	839430.00	825162.00	821804.00	871598.00	817373.00	838225.00	773629.00	817967.00	821731.00	844937.00	819085.00	845249.00
Chamuvaritin Esi+10.506	1466661.00	1423839.00	895420.00	875094.00	1347187.00	1273752.00	754053.00	745947.00	1423733.00	1416169.00	797222.00	814931.00	939372.00	921163.00	843243.00	849186.00	1076274.00	1070074.00	718752.00	701663.00	883555.00	863642.00	684555.00	677064.00
C3 H6 N2 O5	508188.00	496206.00	653388.00	662887.00	767780.00	764609.00	686787.00	674693.00	113461.00	106831.00	648921.00	649670.00	674238.00	667112.00	732703.00	735557.00	723389.00	715347.00	637160.00	654624.00	664899.00	673647.00	476023.00	466320.00
Atractylodin	882268.00	925994.00	932952.00	887747.00	844770.00	849018.00	880470.00	883525.00	843241.00	865724.00	865782.00	835941.00	807812.00	833629.00	836002.00	823505.00	816422.00	830736.00	830052.00	820412.00	837352.00	852473.00	829316.00	851194.00
C24 H24 N3 O2	520564.00	520008.00	509434.00	513027.00	651878.00	668449.00	414268.00	417840.00	656567.00	632092.00	534600.00	562792.00	613919.00	618215.00	537550.00	559485.00	633023.00	627958.00	457674.00	451292.00	589100.00	599452.00	502120.00	494058.00
24-Nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-pentol	1063527.00	1017908.00	1207692.00	1208274.00	988913.00	866886.00	898386.00	986561.00	1022864.00	1013787.00	934798.00	957005.00	1521600.00	1163244.00	955028.00	956092.00	1002273.00	1005031.00	971378.00	983090.00	1200722.00	917183.00	902637.00	873908.00
2'-Hydroxy-2,4',6'-trimethoxychalcone	488156.00	490692.00	506183.00	478645.00	471496.00	472532.00	444590.00	469494.00	451931.00	448384.00	456805.00	442782.00	452442.00	465675.00	444269.00	451960.00	435546.00	417593.00	464678.00	438118.00	422717.00	417630.00	433945.00	405381.00
C9 H6 N5 O7 S	860943.00	878741.00	707175.00	730747.00	800655.00	820186.00	816600.00	795849.00	751952.00	748765.00	747203.00	759319.00	696060.00	723890.00	796890.00	814946.00	748014.00	730117.00	793549.00	821665.00	643548.00	678688.00	711746.00	721570.00
C9 H19 N O	808060.00	821875.00	798866.00	828604.00	833647.00	823507.00	832241.00	847489.00	831678.00	802841.00	802260.00	801497.00	804510.00	782537.00	781427.00	782208.00	765658.00	783523.00	803971.00	778643.00	774507.00	814876.00	814349.00	797512.00
C12 H14 N4	604572.00	605807.00	808771.00	783796.00	432504.00	430181.00	433149.00	473579.00	377024.00	367928.00	446170.00	443807.00	395330.00	396728.00	427834.00	426359.00	591230.00	592115.00	418667.00	440761.00	676917.00	677787.00	554825.00	574875.00
C19 H22 N10 O5	432295.00	422495.00	471489.00	478714.00	485051.00	484616.00	353737.00	352068.00	24608.00	24176.00	351481.00	351310.00	578286.00	524491.00	653749.00	637726.00	470088.00	486745.00	391872.00	389372.00	457436.00	458398.00	274275.00	280965.00
Chamuvaritin Esi+10.242002	664710.00	634417.00	459656.00	450064.00	652143.00	626193.00	387377.00	388891.00	753404.00	743295.00	400388.00	411741.00	481133.00	476937.00	460447.00	484239.00	596582.00	613131.00	406724.00	385425.00	498555.00	513919.00	399024.00	405576.00
C41 H79 N O14	1073213.00	1019245.00	960260.00	954846.00	1038950.00	1056694.00	984229.00	966862.00	968960.00	981177.00	899932.00	1170838.00	872023.00	961647.00	979684.00	966766.00	984734.00	949326.00	1011176.00	987459.00	938852.00	956975.00	927318.00	947413.00
trans-2-Phenylcyclopropanecarboxylic acid	124551.00	137072.00	115923.00	122926.00	118930.00	285272.00	115067.00	124996.00	151995.00	160475.00	132009.00	119508.00	110303.00	131247.00	114112.00	118974.00	110205.00	108181.00	117228.00	247349.00	254479.00	115667.00	111815.00	231116.00
(2R)-2-Hydroxy-2-methylbutanenitrile	547672.00	568319.00	833803.00	727559.00	477129.00	489762.00	172850.00	227478.00	167431.00	186597.00	520211.00	626060.00	388275.00	472556.00	845877.00	858502.00	553449.00	459046.00	453083.00	453833.00	496894.00	492154.00	313595.00	309461.00
C4 H8 N6 O4	580033.00	584085.00	586470.00	569877.00	418831.00	399196.00	421311.00	424970.00	30926.00	34577.00	409260.00	395060.00	414374.00	399782.00	733498.00	682708.00	695264.00	642179.00	396323.00	388487.00	678577.00	694139.00	249976.00	251387.00
C7 H7 O3 S	697227.00	732075.00	253864.00	228416.00	648194.00	617526.00	745181.00	724716.00	375018.00	389206.00	673275.00	607009.00	577474.00	567393.00	144971.00	132350.00	237866.00	185898.00	743681.00	757969.00	123149.00	177010.00	488040.00	451730.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate Esi+10.24	1810037.00	1771642.00	1221802.00	1257821.00	1830191.00	1737909.00	1141354.00	1116040.00	2140938.00	2023214.00	1039326.00	1074542.00	1276195.00	1321001.00	1214537.00	1249976.00	1644845.00	1633250.00	1057240.00	1011244.00	1358197.00	1446314.00	1049414.00	21600000.00
Macaflavone II	611246.00	612511.00	617486.00	599431.00	602078.00	599355.00	575658.00	590040.00	600349.00	621601.00	591693.00	572814.00	590548.00	589209.00	570417.00	612787.00	610274.00	593980.00	580605.00	566919.00	599848.00	595479.00	578775.00	575307.00
1,8-Diazacyclotetradecane-2,9-dione	1.00	1.00	1.00	11308.00	242247.00	250476.00	1.00	8697.00	81644.00	90594.00	648282.00	660492.00	1.00	1.00	1.00	1.00	1.00	1.00	208154.00	196545.00	1.00	1.00	1.00	1.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate Esi+9.666998	1.00	1.00	607463.00	616601.00	461510.00	1.00	447221.00	456848.00	670617.00	667310.00	277048.00	285506.00	375434.00	385978.00	353692.00	370676.00	495635.00	501043.00	299279.00	298318.00	457415.00	455055.00	428316.00	411230.00
C23 H47 N O4	59603.00	54961.00	52773.00	53411.00	55528.00	55934.00	60415.00	65381.00	59697.00	59339.00	56223.00	52259.00	53327.00	55074.00	60075.00	64387.00	59570.00	50049.00	51456.00	51251.00	52086.00	56287.00	569598.00	583275.00
?-Glutamyl-?-cyanoalanine	209125.00	188556.00	339951.00	334371.00	286547.00	297015.00	309087.00	296334.00	45500.00	39696.00	255671.00	247326.00	350667.00	322784.00	480692.00	491829.00	360748.00	352147.00	299315.00	270814.00	277037.00	271036.00	254537.00	239055.00
C19 H41 N Esi+12.308003	130832.00	125158.00	110185.00	116896.00	119805.00	116408.00	128511.00	127848.00	115999.00	117260.00	2095893.00	1743950.00	125143.00	121907.00	123886.00	116365.00	124894.00	124246.00	120046.00	113282.00	130173.00	102911.00	134174.00	129130.00
CAY10606	551882.00	539842.00	661535.00	545184.00	638072.00	507936.00	538101.00	512539.00	522165.00	515497.00	697067.00	490196.00	550452.00	493651.00	565813.00	487470.00	475417.00	478226.00	489516.00	479840.00	538486.00	474621.00	739518.00	458644.00
MG(16:0/0:0/0:0)[rac]	252668.00	250314.00	79152.00	67256.00	92143.00	75844.00	87849.00	89772.00	125335.00	124238.00	166277.00	95561.00	73826.00	56722.00	72410.00	60121.00	80894.00	68592.00	90748.00	79768.00	67767.00	64871.00	448434.00	459338.00
C29 H14 N6 O	521260.00	483036.00	624379.00	480180.00	635223.00	474618.00	524818.00	467545.00	551210.00	465927.00	576275.00	450845.00	543232.00	460519.00	574131.00	444308.00	480804.00	425690.00	472575.00	439298.00	529892.00	428933.00	727172.00	416630.00
4,4'-Biphenyldithiol	789451.00	740699.00	551457.00	521093.00	453640.00	418104.00	457429.00	441562.00	204316.00	191761.00	422281.00	412872.00	431129.00	440382.00	655329.00	588732.00	547965.00	507299.00	397786.00	411952.00	494736.00	498099.00	328061.00	352771.00
4,5-epoxy-17R-HDHA	190153.00	194169.00	186031.00	183210.00	180026.00	181407.00	181977.00	179065.00	182261.00	183043.00	580709.00	560841.00	172762.00	172515.00	166465.00	171689.00	170594.00	162377.00	165796.00	162239.00	154364.00	146886.00	150959.00	149425.00
C18 H38 O4	336513.00	336360.00	355157.00	311528.00	338795.00	355325.00	289321.00	297723.00	325191.00	319699.00	297917.00	299155.00	319725.00	280480.00	653627.00	634729.00	298467.00	329035.00	308046.00	298398.00	312721.00	341523.00	305683.00	291306.00
trans-2-Phenylcyclopropanecarboxylic acid Esi+11.687001	144297.00	131332.00	149174.00	129710.00	98376.00	285497.00	138221.00	120879.00	162708.00	145698.00	112942.00	134841.00	96534.00	122097.00	138708.00	114333.00	129694.00	126009.00	100839.00	119570.00	247132.00	110620.00	128555.00	226691.00
C7 H2 O5 S2	650948.00	646580.00	661606.00	669334.00	672845.00	655258.00	655693.00	652343.00	98331.00	92240.00	670149.00	646990.00	655959.00	640698.00	623426.00	642831.00	632643.00	628681.00	658146.00	660182.00	651915.00	623354.00	559437.00	550518.00
C8 H14 N9 O3	272088.00	269800.00	208858.00	206868.00	179232.00	181306.00	154293.00	156383.00	1.00	1.00	105911.00	96971.00	106038.00	113762.00	611183.00	609219.00	381328.00	398732.00	196396.00	202427.00	314566.00	322488.00	79157.00	83446.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate Esi+10.918	404470.00	621362.00	1.00	1.00	511235.00	503164.00	1.00	1.00	1.00	1.00	266915.00	1.00	1.00	1.00	165674.00	176837.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
Phenylalanine	591112.00	575997.00	428690.00	430029.00	400869.00	397605.00	321315.00	313625.00	162729.00	171767.00	355043.00	354485.00	378717.00	383410.00	501740.00	517422.00	397611.00	388229.00	391708.00	391975.00	356139.00	366446.00	363885.00	360568.00
C27 H38 N14 O6	37214.00	37158.00	624770.00	633378.00	225346.00	222205.00	217956.00	217186.00	54124.00	51285.00	356028.00	355786.00	69795.00	70489.00	26274.00	30347.00	174282.00	171804.00	62260.00	65424.00	159863.00	156829.00	28330.00	25919.00
5-aminosalicyluric acid	442261.00	434136.00	185084.00	197975.00	243591.00	244503.00	198051.00	202109.00	1.00	1.00	185124.00	190297.00	208431.00	202384.00	604775.00	645933.00	400015.00	439802.00	230197.00	231995.00	453830.00	465469.00	116955.00	116217.00
PM-Toxin A	681489.00	683404.00	656530.00	669958.00	654944.00	625598.00	631538.00	620173.00	632648.00	632253.00	636323.00	620809.00	635400.00	625026.00	616939.00	610017.00	602268.00	620633.00	615653.00	621629.00	605987.00	598473.00	602110.00	610087.00
C19 H36 N7	273737.00	290488.00	284545.00	289590.00	278925.00	260977.00	284192.00	254242.00	285786.00	297958.00	252487.00	284570.00	238062.00	255238.00	551041.00	547432.00	292909.00	302070.00	248708.00	282788.00	257411.00	253821.00	260413.00	263612.00
C14 H14 N4	525612.00	515450.00	335180.00	332000.00	414787.00	418582.00	446015.00	464116.00	393857.00	404278.00	604655.00	591947.00	336447.00	346507.00	405198.00	408470.00	347633.00	317521.00	396131.00	384961.00	407091.00	413243.00	333207.00	333056.00
C25 H42 N2 S	239493.00	262932.00	234566.00	222985.00	252993.00	243489.00	223970.00	226819.00	245988.00	262176.00	202613.00	244143.00	206965.00	211067.00	223953.00	218008.00	208920.00	205541.00	187712.00	219108.00	220572.00	204724.00	189197.00	192038.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate Esi+10.506 :4	7658802.00	7550371.00	3948763.00	3809263.00	6543220.00	6449730.00	3221991.00	3164383.00	7347202.00	7141292.00	3498858.00	3420642.00	4108206.00	3957568.00	3561496.00	3504031.00	4939956.00	4887418.00	2986107.00	2950756.00	3811952.00	3728273.00	2592790.00	2722077.00
C9 H9 N6 O3	575422.00	558523.00	592057.00	581657.00	558009.00	573582.00	491516.00	496745.00	232286.00	232693.00	543707.00	550259.00	552954.00	544600.00	251031.00	250573.00	448645.00	432735.00	480102.00	479651.00	451995.00	451753.00	459591.00	460796.00
Inosine Esi+2.695	678760.00	669719.00	194242.00	197669.00	268182.00	266057.00	278266.00	281808.00	1.00	1.00	184813.00	194193.00	159967.00	160351.00	833040.00	860050.00	468915.00	481548.00	302106.00	315545.00	347486.00	355913.00	247591.00	236969.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate Esi+10.506 :5	9413563.00	9287045.00	4928840.00	4743960.00	8123188.00	7992948.00	4014828.00	3946768.00	9054725.00	8797615.00	4359771.00	4274033.00	5093640.00	4919874.00	4432579.00	4377097.00	6145412.00	6054001.00	3733804.00	3695783.00	4743755.00	4641696.00	3449754.00	3390266.00
3-hydroxy-dodecanedioic acid	96563.00	103377.00	157175.00	142239.00	348732.00	348758.00	600758.00	627908.00	473713.00	287263.00	178433.00	293332.00	403299.00	400559.00	733134.00	741812.00	228653.00	180655.00	151921.00	133781.00	92926.00	103470.00	201269.00	183410.00
C4 N O4 S Esi+0.8400001	1169086.00	1184743.00	1173261.00	1176429.00	1101477.00	1094185.00	1102153.00	1099828.00	332407.00	339319.00	1066992.00	1150887.00	1173088.00	1148677.00	1007112.00	1055723.00	1093371.00	1047570.00	1084822.00	1089819.00	1140987.00	1120219.00	956026.00	1008412.00
C10 H2 N3 O Esi+1.9399997	908362.00	908666.00	791012.00	812603.00	1118307.00	1098135.00	1115695.00	1097918.00	1473978.00	1426428.00	1023583.00	1032606.00	765296.00	767378.00	811662.00	830435.00	814986.00	812096.00	682821.00	676479.00	857089.00	811480.00	801024.00	808096.00
2-methylene-4-oxo-pentanedioic acid	353399.00	358963.00	370612.00	365496.00	417327.00	425274.00	394718.00	396859.00	1.00	1.00	378557.00	381562.00	412994.00	423102.00	490072.00	486531.00	344699.00	337802.00	356609.00	360483.00	536341.00	522592.00	187461.00	192193.00
Streptidine	585301.00	577385.00	394618.00	395587.00	432802.00	424471.00	370698.00	360789.00	31076.00	30774.00	240100.00	229965.00	252229.00	256092.00	1064210.00	1066845.00	683422.00	689913.00	469899.00	462952.00	577141.00	582170.00	207214.00	222388.00
C35 H44 N2 O6	534460.00	527896.00	396287.00	373182.00	437783.00	436487.00	246913.00	247516.00	534420.00	531360.00	245130.00	253751.00	265296.00	265591.00	213547.00	220855.00	408083.00	401972.00	184854.00	149161.00	255346.00	250460.00	173215.00	169870.00
C8 H2 N O6 S	614641.00	620515.00	616095.00	594454.00	664874.00	657293.00	635767.00	657521.00	137245.00	141683.00	637329.00	638568.00	626371.00	616168.00	610878.00	627844.00	587924.00	574838.00	642289.00	655061.00	594852.00	592516.00	552588.00	542917.00
C27 H19 N17 O3	308716.00	309645.00	380371.00	296110.00	378211.00	287372.00	289416.00	296943.00	277489.00	287094.00	412256.00	282075.00	307222.00	267499.00	342132.00	280291.00	266175.00	274345.00	265575.00	269344.00	307255.00	271668.00	525244.00	266894.00
Multifidol	394540.00	395200.00	295438.00	309369.00	358927.00	379592.00	404933.00	420103.00	389102.00	410503.00	408354.00	418727.00	329030.00	330710.00	338071.00	352688.00	200675.00	205111.00	338796.00	342333.00	340587.00	344136.00	299682.00	307626.00
Sulfamethazine	481202.00	479119.00	476866.00	483617.00	461954.00	454271.00	459262.00	459351.00	464392.00	456234.00	454887.00	464628.00	457259.00	450612.00	438469.00	466931.00	452287.00	444905.00	446660.00	464403.00	456557.00	431077.00	436296.00	443869.00
Neoilludin A	210143.00	230367.00	159217.00	172144.00	268935.00	300365.00	146415.00	152857.00	541331.00	585757.00	195989.00	193844.00	297386.00	312002.00	287533.00	309002.00	458036.00	516197.00	284411.00	287161.00	430229.00	443518.00	353950.00	359599.00
C13 H14 N4 O2	368290.00	362593.00	485133.00	472498.00	315978.00	315919.00	340559.00	353452.00	228725.00	225501.00	241378.00	238121.00	229363.00	243121.00	283941.00	298726.00	306484.00	313820.00	288278.00	294927.00	405902.00	409285.00	356885.00	354161.00
L-Valine Esi+1.2059997	612749.00	576049.00	253149.00	213270.00	210156.00	279441.00	183775.00	163022.00	220509.00	198965.00	157982.00	132862.00	180721.00	176892.00	517069.00	464465.00	368495.00	363454.00	237257.00	216381.00	193646.00	205083.00	179061.00	166842.00
Chamuvaritin Esi+10.506 :1	1466247.00	1423930.00	897510.00	874578.00	1346539.00	1273154.00	752291.00	746717.00	1424109.00	1415859.00	797326.00	817392.00	939372.00	921905.00	843724.00	850790.00	1076255.00	1072001.00	718752.00	702040.00	882075.00	867744.00	686277.00	677824.00
C15 H26 N4 O4	362265.00	364742.00	318623.00	335303.00	429798.00	452200.00	377202.00	370352.00	478314.00	472274.00	380845.00	398881.00	333498.00	361163.00	361857.00	365810.00	349790.00	350106.00	369384.00	384650.00	312444.00	329775.00	403260.00	432107.00
C19 H41 N11	193801.00	236487.00	241245.00	242297.00	216427.00	218712.00	195036.00	213434.00	234852.00	239520.00	204750.00	212369.00	192977.00	184131.00	441555.00	423858.00	234051.00	231603.00	213927.00	225129.00	213142.00	184968.00	213165.00	212006.00
3-(6'-Methylthio)hexylmalic acid	329413.00	340180.00	177671.00	176791.00	378518.00	378123.00	240775.00	237859.00	10176.00	12323.00	283901.00	174248.00	257252.00	254008.00	470495.00	482876.00	264762.00	272387.00	119623.00	123672.00	151912.00	161383.00	56745.00	54023.00
C13 H32 N4 O3 S	468136.00	464611.00	218996.00	209942.00	157485.00	158469.00	229678.00	223097.00	24356.00	16306.00	167909.00	166328.00	126661.00	121985.00	156888.00	159922.00	64942.00	71862.00	259231.00	260498.00	220132.00	217398.00	205982.00	197378.00
C38 H21 N15 O	307123.00	317184.00	392148.00	308009.00	378101.00	295523.00	301393.00	291859.00	295104.00	297011.00	415569.00	289995.00	309486.00	292743.00	332120.00	285212.00	285680.00	279031.00	274648.00	276122.00	306067.00	277645.00	479758.00	270363.00
C8 H18 O3	364712.00	349158.00	331717.00	350715.00	293154.00	340444.00	326378.00	319898.00	513323.00	503199.00	300811.00	310715.00	270637.00	253675.00	236055.00	275634.00	296806.00	278846.00	266845.00	292903.00	321664.00	330731.00	295587.00	317011.00
17-Hydroxyprogesterone	459763.00	597067.00	494599.00	467374.00	517908.00	494076.00	542770.00	455472.00	463791.00	466169.00	469276.00	481046.00	537529.00	486672.00	499741.00	516047.00	412822.00	371287.00	458033.00	470297.00	390133.00	448728.00	519520.00	444425.00
2,3-dinor Thromboxane B1	31456.00	26492.00	402298.00	353394.00	133524.00	139208.00	23840.00	17045.00	29682.00	31703.00	47369.00	46212.00	17773.00	16319.00	16134.00	16355.00	212669.00	213939.00	17319.00	17092.00	43282.00	42517.00	9353.00	22621.00
C8 H2 N O9 S3	514521.00	506252.00	480501.00	476458.00	506105.00	511918.00	510526.00	507017.00	92276.00	86237.00	489678.00	493723.00	493725.00	480687.00	432843.00	449546.00	443942.00	443127.00	478454.00	485450.00	449629.00	468695.00	409348.00	411003.00
C30 H51 O7	547579.00	559739.00	14498.00	14063.00	16348.00	1.00	12167.00	21917.00	79657.00	61155.00	39219.00	17044.00	24511.00	30020.00	19482.00	21171.00	10447.00	20857.00	1.00	21861.00	1.00	17826.00	33864.00	32680.00
Trovafloxacin	453190.00	453877.00	532539.00	439094.00	509183.00	427389.00	448696.00	419429.00	431783.00	428940.00	554548.00	423979.00	453745.00	410388.00	465178.00	416510.00	409050.00	410584.00	398102.00	392989.00	426619.00	405028.00	561570.00	390121.00
2E-Decenedioic acid	371115.00	342490.00	482108.00	474662.00	264420.00	267011.00	255331.00	275718.00	226935.00	237052.00	256502.00	252580.00	234651.00	229933.00	261819.00	255784.00	361416.00	369452.00	229749.00	244707.00	398310.00	413625.00	315915.00	332349.00
C21 H42 N2 O3	55243.00	53714.00	37389.00	48327.00	45807.00	41577.00	46540.00	46233.00	56458.00	56633.00	426417.00	412416.00	51290.00	47402.00	78310.00	76753.00	88159.00	92501.00	33548.00	36468.00	39069.00	44155.00	55738.00	66258.00
C5 H N O3 S	134603.00	143489.00	247029.00	246765.00	41903.00	139550.00	1.00	123758.00	194553.00	215808.00	42664.00	143696.00	111345.00	127990.00	174575.00	122532.00	146079.00	142011.00	130099.00	123049.00	151955.00	145650.00	170900.00	176362.00
2',?-Dihydroxychalcone	534932.00	511848.00	248893.00	259095.00	236941.00	233408.00	205257.00	207881.00	388352.00	389273.00	161919.00	157955.00	247598.00	253714.00	319616.00	303651.00	304078.00	305821.00	315125.00	300093.00	184934.00	175961.00	232080.00	235645.00
?-Glutamyl-?-aminobutyraldehyde	274929.00	275100.00	250206.00	265209.00	435634.00	406346.00	279138.00	282466.00	69107.00	64583.00	450436.00	455993.00	370552.00	359662.00	114996.00	110456.00	195600.00	185145.00	59773.00	68283.00	28395.00	25306.00	67972.00	62587.00
C14 H24 N4	462654.00	452211.00	391793.00	357689.00	298250.00	249759.00	259254.00	255078.00	204029.00	204535.00	389889.00	363713.00	223258.00	218038.00	240580.00	237004.00	392438.00	391717.00	258127.00	272507.00	375328.00	364917.00	274504.00	287877.00
m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid	254987.00	261841.00	256233.00	249592.00	246562.00	238532.00	253127.00	239946.00	227730.00	237953.00	400421.00	419110.00	223632.00	219768.00	238987.00	215476.00	222848.00	216027.00	218724.00	235822.00	215319.00	214072.00	216124.00	219487.00
Otonecine	451285.00	482167.00	307130.00	318031.00	329817.00	316446.00	336104.00	337255.00	477227.00	444449.00	260449.00	261741.00	389413.00	391902.00	245281.00	247392.00	384773.00	381292.00	255897.00	247793.00	281606.00	280273.00	152710.00	149358.00
Orthoform	305905.00	317717.00	374291.00	371586.00	358089.00	370368.00	228607.00	217062.00	13502.00	13260.00	302066.00	300589.00	290739.00	280649.00	432881.00	449576.00	387348.00	372313.00	336826.00	337219.00	462147.00	458638.00	178978.00	184890.00
C8 H3 Cl3 N O8 S2	451173.00	456558.00	457529.00	458479.00	474692.00	440885.00	443676.00	446929.00	43118.00	39127.00	440472.00	443773.00	435835.00	433723.00	413025.00	414083.00	410777.00	405401.00	445165.00	436250.00	412719.00	417906.00	360734.00	354618.00
C29 H44 N3	480782.00	487594.00	488158.00	498398.00	485125.00	477562.00	472449.00	491376.00	487250.00	465104.00	475703.00	468311.00	460465.00	448490.00	489444.00	464724.00	460524.00	452526.00	446922.00	401364.00	455960.00	451749.00	446906.00	426335.00
3-hydroxy-3-methyl-Glutaric acid	440634.00	459609.00	302616.00	299552.00	334537.00	339813.00	339319.00	328944.00	64325.00	62708.00	292673.00	282896.00	287907.00	290940.00	377719.00	371094.00	375268.00	370433.00	313300.00	286213.00	352797.00	352850.00	246932.00	237809.00
N-oleoyl isoleucine	494396.00	478110.00	459532.00	471588.00	456109.00	473058.00	436678.00	452388.00	477997.00	472855.00	474767.00	434665.00	442120.00	449873.00	463891.00	463748.00	432152.00	445883.00	426062.00	481891.00	432579.00	397913.00	633800.00	414255.00
C6 H4 Cl2 N O7 S4	446831.00	450993.00	439179.00	458588.00	470552.00	450426.00	462917.00	447345.00	32062.00	32369.00	442583.00	449406.00	461846.00	455294.00	423489.00	442275.00	424170.00	427345.00	439707.00	432750.00	428768.00	442012.00	348938.00	342033.00
Deoxycytidine Esi+1.2509998 :1	6235341.00	6174649.00	4155794.00	4164178.00	5275897.00	5205755.00	2637322.00	2542065.00	528832.00	513216.00	3067601.00	3142108.00	4229303.00	4098720.00	3319207.00	3193189.00	3643418.00	3737388.00	3335545.00	3257647.00	4399280.00	4388119.00	2203406.00	2242083.00
C29 H51 N8 O2	447362.00	420500.00	416525.00	428513.00	412872.00	431437.00	419349.00	468077.00	408664.00	409641.00	410903.00	412492.00	394679.00	398272.00	398848.00	409131.00	398007.00	397754.00	421105.00	413370.00	405766.00	402421.00	392437.00	386927.00
C-6 Ceramide Esi+12.563997	501592.00	506336.00	425548.00	454739.00	488832.00	484538.00	420164.00	411406.00	454382.00	492937.00	428043.00	394829.00	450467.00	465627.00	410635.00	439906.00	437884.00	445708.00	399221.00	431449.00	405646.00	421774.00	426315.00	414012.00
Gln Lys Ile	337089.00	353298.00	332143.00	329014.00	312569.00	316091.00	333093.00	345327.00	385708.00	390309.00	316123.00	327561.00	314408.00	309661.00	317273.00	323145.00	306673.00	311830.00	334670.00	327287.00	293910.00	308958.00	372754.00	383510.00
C7 H10 N4 Esi+3.0380013	123689.00	453040.00	334321.00	48986.00	476383.00	496889.00	288979.00	320944.00	308004.00	299797.00	347656.00	332014.00	281474.00	312934.00	295883.00	285049.00	343057.00	358878.00	494836.00	439280.00	277750.00	275242.00	273811.00	311677.00
N?-Acetyl-L-arginine	412430.00	403000.00	238610.00	262840.00	280588.00	285096.00	299292.00	287540.00	22257.00	23329.00	221169.00	222204.00	264619.00	278426.00	444749.00	462914.00	296502.00	300365.00	241048.00	241598.00	297672.00	311547.00	157633.00	162636.00
Istamycin C1	335096.00	350733.00	330169.00	342041.00	341038.00	338329.00	338368.00	353607.00	406724.00	390655.00	331730.00	340667.00	327729.00	331526.00	340955.00	336144.00	329537.00	329542.00	358918.00	348802.00	313574.00	328563.00	387065.00	390745.00
C7 H5 Cl3 N6 O2 S	472395.00	472897.00	505740.00	487202.00	492891.00	490385.00	489351.00	466151.00	38518.00	39068.00	481630.00	479334.00	459060.00	445022.00	446653.00	446934.00	448562.00	455150.00	458147.00	455919.00	456330.00	454753.00	364163.00	371518.00
Euxanthone	473359.00	472791.00	407410.00	377944.00	437275.00	445234.00	434647.00	420064.00	82124.00	79440.00	352367.00	346700.00	353930.00	344502.00	312528.00	321397.00	370646.00	370824.00	356789.00	367378.00	347082.00	352017.00	267356.00	275948.00
Hymenoflorin	212789.00	225645.00	112413.00	107229.00	180248.00	184716.00	398481.00	403583.00	196896.00	195992.00	124226.00	112990.00	206188.00	187623.00	141394.00	139254.00	214081.00	216838.00	134658.00	135564.00	201735.00	200240.00	207811.00	204470.00
Adenosine	411410.00	387254.00	29206.00	27758.00	55292.00	52830.00	44334.00	45075.00	10794.00	14557.00	12771.00	16958.00	29831.00	28783.00	51282.00	52136.00	33641.00	30631.00	1.00	9592.00	23884.00	25680.00	18796.00	18782.00
Diisobutyl phthalate	688138.00	677698.00	504466.00	473989.00	511888.00	511336.00	583388.00	560875.00	494016.00	525734.00	530350.00	541518.00	443376.00	439142.00	421212.00	395720.00	390818.00	401674.00	470598.00	489389.00	483081.00	485048.00	435483.00	453937.00
Sildenafil	562172.00	578429.00	561820.00	562025.00	565708.00	553277.00	561800.00	539421.00	551637.00	531831.00	550811.00	521515.00	544901.00	536120.00	524535.00	521311.00	529286.00	528858.00	535022.00	510923.00	541419.00	531297.00	535057.00	506404.00
N(alpha)-gamma-L-Glutamylhistamine	240495.00	232150.00	157959.00	156600.00	189840.00	201146.00	211692.00	202573.00	27838.00	30441.00	170711.00	161514.00	170033.00	166206.00	428462.00	425756.00	256917.00	259975.00	198876.00	186232.00	208512.00	218485.00	168771.00	173917.00
C24 H18 N12 O2 S	255659.00	256965.00	317607.00	248483.00	329773.00	243578.00	257112.00	245972.00	253455.00	254954.00	330630.00	240215.00	275401.00	233495.00	306641.00	232531.00	228109.00	221604.00	225440.00	223806.00	271123.00	235963.00	429267.00	222637.00
C9 H Cl3 N2 O4 S3	402129.00	404235.00	404309.00	411841.00	429017.00	425135.00	416769.00	415571.00	25931.00	24980.00	405762.00	412272.00	419193.00	404282.00	395753.00	400331.00	400634.00	393973.00	411072.00	407152.00	389914.00	402381.00	312551.00	316585.00
C5 H3 Cl3 O6 S4	416141.00	401578.00	420336.00	424721.00	437103.00	413803.00	411972.00	417821.00	19509.00	18757.00	412142.00	414053.00	412031.00	403896.00	410495.00	415426.00	406472.00	395239.00	389092.00	395817.00	398692.00	405428.00	316777.00	307933.00
Tokoronin	437615.00	430429.00	430013.00	441713.00	446438.00	444806.00	441485.00	363854.00	464421.00	467978.00	418771.00	430734.00	426580.00	409185.00	407451.00	411557.00	430954.00	437006.00	405603.00	410746.00	407772.00	381667.00	418732.00	388718.00
alpha-Methylstyrene	219377.00	212078.00	118298.00	118649.00	195946.00	188963.00	408517.00	409314.00	219530.00	220750.00	127620.00	125484.00	206434.00	198610.00	165406.00	161979.00	240461.00	229178.00	144388.00	140042.00	220633.00	220095.00	230489.00	220756.00
C23 H47 N8 O2	234409.00	246736.00	234170.00	239490.00	236287.00	206628.00	219803.00	212133.00	250170.00	266581.00	222442.00	206163.00	195294.00	204905.00	436137.00	443458.00	256448.00	259930.00	202428.00	226957.00	208993.00	218990.00	227979.00	214949.00
C32 H65 N4 O2 S2	417176.00	415899.00	406109.00	403592.00	385481.00	399725.00	380471.00	379176.00	398735.00	379860.00	387710.00	391531.00	375163.00	379104.00	383978.00	376828.00	381736.00	356779.00	367505.00	370837.00	371186.00	382096.00	366071.00	353248.00
C23 H32 N3 O	37555.00	16893.00	33684.00	47353.00	35411.00	27371.00	30556.00	21819.00	36089.00	27510.00	40453.00	35469.00	32813.00	32807.00	35910.00	25311.00	17006.00	33696.00	45737.00	16298.00	29087.00	30069.00	21836.00	30521.00
C35 H71 N8 O8	603680.00	581317.00	613051.00	585625.00	597269.00	629273.00	609484.00	629669.00	647331.00	693475.00	535033.00	508455.00	579086.00	571690.00	578441.00	609700.00	593855.00	548301.00	527640.00	562672.00	524005.00	564970.00	519062.00	578802.00
C26 H32 N21 O	17390.00	16767.00	412512.00	403929.00	159703.00	157068.00	112100.00	109592.00	38293.00	38566.00	171739.00	166053.00	40341.00	37341.00	14282.00	14091.00	134203.00	129109.00	25958.00	25064.00	117742.00	117892.00	15915.00	18312.00
C11 H12 N O3	67494.00	71701.00	164448.00	161965.00	355957.00	334692.00	332221.00	341418.00	1.00	1.00	396720.00	404902.00	198257.00	196840.00	46329.00	50010.00	133285.00	139572.00	83717.00	86457.00	24570.00	18584.00	107525.00	109258.00
Netilmicin	307053.00	306956.00	302401.00	306069.00	299235.00	288355.00	319628.00	301630.00	350991.00	342029.00	289176.00	302907.00	305633.00	299529.00	304569.00	306084.00	295334.00	299167.00	311973.00	312205.00	297104.00	287763.00	350836.00	342448.00
l-2-hydroxy-decanoic acid	731766.00	654335.00	53542.00	383960.00	274879.00	351439.00	284465.00	252421.00	409672.00	421763.00	258884.00	246679.00	482724.00	352817.00	156926.00	214326.00	309506.00	226420.00	667323.00	660687.00	71546.00	78943.00	217216.00	195375.00
C33 H23 N21 O4	294974.00	279494.00	345530.00	282263.00	330518.00	272915.00	284269.00	266078.00	262269.00	269692.00	354550.00	254093.00	287188.00	251900.00	297905.00	261327.00	254071.00	251129.00	253411.00	249001.00	282300.00	250440.00	378540.00	243982.00
C26 H44 N2 O4	474930.00	463882.00	477557.00	452421.00	446557.00	461312.00	422524.00	465109.00	465086.00	427274.00	416511.00	463621.00	432542.00	403321.00	414604.00	444762.00	430251.00	415258.00	451632.00	418023.00	427966.00	407586.00	429685.00	398142.00
C4 H Cl3 O3 S2	388755.00	385996.00	418153.00	413681.00	407219.00	392063.00	369859.00	369093.00	26213.00	27028.00	371153.00	381895.00	387290.00	392099.00	372145.00	375378.00	371287.00	375565.00	370515.00	364283.00	363623.00	367658.00	297336.00	286630.00
2-Formyloxymethylclavam	274557.00	273247.00	157686.00	155035.00	183472.00	188110.00	155091.00	150947.00	1.00	1.00	192531.00	184551.00	173272.00	172799.00	346070.00	379196.00	265288.00	290165.00	183356.00	174319.00	268383.00	273154.00	117714.00	112572.00
Adenosine Esi+3.0579996	389516.00	383279.00	35806.00	32489.00	63116.00	57704.00	45794.00	49087.00	18302.00	24892.00	23728.00	22715.00	35058.00	31269.00	55190.00	50552.00	40429.00	39257.00	1.00	16767.00	28490.00	27731.00	23335.00	25052.00
Pentachlorophenol	376418.00	375083.00	398715.00	414399.00	404688.00	407752.00	397393.00	396519.00	28548.00	29239.00	384239.00	388917.00	387691.00	387742.00	386533.00	392087.00	393878.00	393921.00	362099.00	378443.00	380180.00	386690.00	306128.00	300925.00
Onocerin	441703.00	450974.00	429403.00	412067.00	408543.00	393908.00	396664.00	403672.00	383835.00	391166.00	397492.00	389215.00	372746.00	377880.00	383493.00	392083.00	378175.00	383024.00	379757.00	390551.00	385664.00	386985.00	364693.00	352188.00
C23 H41 N5 O2	259407.00	253908.00	254100.00	241968.00	270415.00	256963.00	245956.00	247344.00	268739.00	275296.00	247244.00	245629.00	244052.00	243203.00	245305.00	246232.00	228667.00	221798.00	207396.00	225893.00	216200.00	212638.00	212883.00	218282.00
Amitrole	379197.00	374683.00	302597.00	318756.00	322970.00	302531.00	295706.00	292215.00	55912.00	48554.00	249448.00	258885.00	305720.00	292230.00	284144.00	289114.00	255993.00	265644.00	291107.00	279713.00	195853.00	206529.00	202011.00	195782.00
13-Docosenamide	47337.00	45509.00	12830.00	1.00	21880.00	22828.00	10970.00	7717.00	24793.00	22806.00	22301.00	15539.00	1.00	1.00	11950.00	1.00	9361.00	8697.00	23165.00	16486.00	9437.00	1.00	45246.00	41781.00
ciclopirox	428787.00	481222.00	287616.00	218919.00	446436.00	151448.00	253517.00	450107.00	426882.00	586220.00	583273.00	453549.00	399764.00	178027.00	393339.00	291662.00	287454.00	435588.00	176494.00	265397.00	288596.00	281051.00	202917.00	186442.00
C25 H51 N O4	40712.00	43095.00	48186.00	38373.00	45800.00	39737.00	47323.00	42538.00	43910.00	42453.00	51857.00	49540.00	46579.00	46733.00	62059.00	57548.00	42008.00	45078.00	44120.00	48123.00	51635.00	44681.00	381400.00	393932.00
C23 H41 N	293070.00	291593.00	274351.00	287545.00	296974.00	281647.00	266442.00	274483.00	286251.00	312210.00	333747.00	339656.00	264533.00	272054.00	305329.00	271732.00	296734.00	304736.00	289246.00	271160.00	255143.00	260423.00	264679.00	266067.00
C13 H25 N O3	172395.00	161899.00	199799.00	219113.00	222652.00	233329.00	215131.00	206603.00	332045.00	310344.00	283655.00	292307.00	141283.00	150688.00	177454.00	165475.00	166222.00	167812.00	272983.00	261555.00	180017.00	179019.00	204775.00	188276.00
Fraxin	242400.00	238986.00	291280.00	217533.00	307045.00	217000.00	238732.00	222226.00	238927.00	228827.00	311659.00	226380.00	238563.00	214022.00	278225.00	207606.00	214660.00	205187.00	204955.00	205907.00	244030.00	204565.00	419898.00	212899.00
Bronopol	366046.00	366533.00	343979.00	346741.00	358509.00	347557.00	351911.00	350602.00	52774.00	49325.00	348677.00	345247.00	335546.00	342747.00	309355.00	311047.00	306838.00	308767.00	358103.00	349358.00	322961.00	329499.00	290977.00	285215.00
Deoxymiroestrol Esi+11.628	362901.00	341276.00	693703.00	299355.00	281226.00	649475.00	291271.00	278825.00	390403.00	784425.00	605243.00	291435.00	278559.00	624068.00	275731.00	297813.00	254554.00	249240.00	285264.00	290463.00	578312.00	296573.00	256708.00	577514.00
C12 H17 N5 O	254455.00	245063.00	343110.00	331087.00	204851.00	191476.00	210115.00	210131.00	152727.00	148191.00	162599.00	163850.00	153775.00	150438.00	187075.00	185434.00	214311.00	224259.00	169371.00	162163.00	250542.00	259222.00	219426.00	225231.00
Elaidic carnitine	344042.00	376732.00	440051.00	359317.00	382162.00	442856.00	361430.00	370191.00	325863.00	397597.00	343171.00	316975.00	355886.00	368049.00	387878.00	376632.00	358980.00	354198.00	339656.00	407361.00	377340.00	347905.00	340581.00	335831.00
Diisobutyl phthalate Esi+11.938997	688669.00	687416.00	493619.00	467756.00	513506.00	515729.00	570878.00	559497.00	506998.00	525726.00	521449.00	552058.00	438393.00	439643.00	419714.00	410600.00	391012.00	403918.00	467458.00	491475.00	464157.00	490033.00	436776.00	449567.00
L-Isoleucine	581259.00	580407.00	310157.00	296188.00	244150.00	262721.00	192118.00	191843.00	116917.00	127708.00	219728.00	196817.00	208102.00	227397.00	461992.00	462305.00	338688.00	333151.00	237102.00	257027.00	230234.00	242288.00	229792.00	226814.00
C26 H53 N3 O3	455866.00	441190.00	397363.00	387980.00	405268.00	389734.00	395568.00	400816.00	400450.00	420790.00	345686.00	393800.00	341995.00	354847.00	400416.00	378024.00	336610.00	367641.00	342286.00	403822.00	394220.00	372168.00	464348.00	414710.00
C8 H Cl N S4	337345.00	349585.00	359492.00	344487.00	334954.00	338325.00	344361.00	333659.00	40090.00	37438.00	329559.00	324587.00	323223.00	317367.00	317883.00	320185.00	309561.00	316674.00	299527.00	324860.00	326793.00	322820.00	266301.00	266338.00
5S-HETE di-endoperoxide	161036.00	158438.00	179578.00	158383.00	299055.00	292895.00	137894.00	138730.00	147430.00	132127.00	133058.00	142824.00	127870.00	127614.00	135644.00	129746.00	149058.00	146567.00	134967.00	129638.00	119556.00	122360.00	123238.00	112309.00
C30 H49 O7	377308.00	373419.00	70715.00	72920.00	52876.00	59536.00	31429.00	30729.00	219732.00	215755.00	35107.00	33352.00	160608.00	160722.00	78863.00	78159.00	99262.00	98432.00	13885.00	17578.00	28041.00	27853.00	19843.00	24133.00
Xestoaminol C	346980.00	326856.00	337572.00	318959.00	340632.00	362184.00	297821.00	320350.00	377059.00	374424.00	317014.00	314516.00	334706.00	332971.00	323319.00	301485.00	363823.00	373467.00	299740.00	312690.00	288728.00	276177.00	286350.00	281753.00
C6 H5 O3 S	251059.00	279785.00	93601.00	64550.00	231379.00	224647.00	302518.00	289040.00	161370.00	186258.00	277995.00	221448.00	210111.00	227902.00	40590.00	29587.00	104449.00	73697.00	290920.00	294804.00	62386.00	56991.00	207120.00	182794.00
1-Hexadecylamine	338517.00	334841.00	328671.00	346097.00	325575.00	331515.00	314681.00	307483.00	319013.00	318956.00	315740.00	318100.00	313864.00	300308.00	311560.00	311232.00	310332.00	319609.00	308823.00	319079.00	325260.00	312356.00	314149.00	304911.00
C8 H6 N O9	398416.00	405581.00	296064.00	289184.00	331590.00	334871.00	342797.00	331811.00	1.00	1.00	298796.00	295641.00	301375.00	284634.00	329544.00	321039.00	344210.00	333523.00	290089.00	285243.00	327290.00	325931.00	184079.00	183412.00
Anthranilic acid	327530.00	319461.00	129386.00	133848.00	137971.00	140880.00	90440.00	92576.00	240937.00	239375.00	83958.00	87237.00	113820.00	112807.00	231830.00	248167.00	145289.00	132886.00	160966.00	167854.00	101528.00	95574.00	104723.00	86196.00
C4 H4 N2 O2 S	274522.00	292264.00	79403.00	63549.00	266297.00	260206.00	318547.00	317269.00	168511.00	175112.00	306631.00	267387.00	228947.00	233002.00	46794.00	27205.00	104285.00	58500.00	320917.00	344763.00	67842.00	72218.00	200142.00	209694.00
C21 H43 N8 O7	329427.00	330751.00	312143.00	319080.00	309785.00	309983.00	320955.00	309070.00	349563.00	346191.00	302435.00	310958.00	308494.00	304435.00	311917.00	324063.00	328701.00	322926.00	329259.00	321298.00	295695.00	302733.00	352964.00	352412.00
C12 H17 N5 O3	192882.00	196984.00	72616.00	74797.00	92528.00	79879.00	88946.00	85784.00	11853.00	12423.00	56419.00	59858.00	78818.00	73505.00	302192.00	319617.00	203703.00	200725.00	150501.00	147406.00	156114.00	156264.00	159819.00	150556.00
C9 H21 N O3	236788.00	249198.00	187345.00	191198.00	241107.00	242301.00	225672.00	216461.00	311873.00	308360.00	290079.00	281598.00	182991.00	188184.00	172585.00	183200.00	212269.00	218016.00	146755.00	153937.00	214354.00	217055.00	183985.00	174380.00
Taurine	167325.00	161891.00	186138.00	240338.00	276387.00	242671.00	222704.00	223789.00	54658.00	58567.00	222405.00	244534.00	215721.00	223120.00	328924.00	336490.00	248754.00	227578.00	252414.00	246684.00	216140.00	221593.00	170701.00	171644.00
C22 H40 N4 O4	354234.00	382912.00	349473.00	488689.00	286684.00	305354.00	375630.00	366692.00	252585.00	417224.00	394616.00	337378.00	347598.00	379995.00	384433.00	283395.00	390937.00	328182.00	312584.00	349997.00	340039.00	359552.00	380416.00	393139.00
Benz[c]acridine	320160.00	305209.00	27838.00	23960.00	35541.00	37479.00	34231.00	27317.00	36393.00	37314.00	1.00	1.00	37354.00	34912.00	53166.00	55375.00	42615.00	43065.00	45794.00	38899.00	32424.00	33253.00	23068.00	23477.00
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-octanoate	286531.00	278414.00	295073.00	287135.00	297321.00	283705.00	285472.00	288682.00	281549.00	289549.00	282968.00	273563.00	296192.00	286877.00	288599.00	277309.00	287043.00	283844.00	295066.00	284853.00	271939.00	272656.00	272349.00	280303.00
8-Amino Caprylic acid	193967.00	179519.00	83914.00	96902.00	142792.00	141314.00	144067.00	145276.00	173352.00	178365.00	115630.00	110257.00	263677.00	254742.00	328774.00	335521.00	158628.00	162397.00	178525.00	185414.00	111570.00	108026.00	88727.00	87754.00
C25 H51 N8 O3	155334.00	162002.00	170887.00	153325.00	129489.00	158013.00	152901.00	150961.00	176947.00	169913.00	158628.00	154488.00	139713.00	141588.00	321929.00	333005.00	184520.00	181870.00	148914.00	166769.00	149568.00	140536.00	170821.00	172728.00
C12 H16 N3 O5	227252.00	201129.00	292821.00	297086.00	149152.00	160280.00	153147.00	167985.00	129575.00	135417.00	151816.00	153340.00	134679.00	137985.00	149505.00	147919.00	214135.00	217783.00	135950.00	143371.00	233713.00	240458.00	185467.00	181648.00
C41 H21 N5 O2	560933.00	538119.00	29671.00	1.00	105373.00	101397.00	49904.00	59391.00	34911.00	35496.00	1.00	1.00	171838.00	152577.00	323461.00	361393.00	141509.00	157739.00	50732.00	40516.00	65028.00	63829.00	106349.00	142422.00
C9 H Cl3 O3 S4	297956.00	299133.00	317262.00	324403.00	312755.00	329107.00	328505.00	321694.00	14572.00	13827.00	310658.00	304843.00	309339.00	307282.00	300854.00	304548.00	303286.00	307297.00	286530.00	298337.00	306290.00	317212.00	234057.00	220613.00
C8 H5 Cl3 N O S3	315605.00	323448.00	331239.00	320538.00	317651.00	317479.00	306803.00	322497.00	23246.00	22033.00	304192.00	304070.00	301936.00	302510.00	305721.00	297080.00	309542.00	307534.00	291910.00	288438.00	303281.00	303138.00	241155.00	237492.00
Vitamin E succinate(tocopherol succinate)	297973.00	298621.00	299264.00	307195.00	281644.00	255390.00	278093.00	279321.00	254068.00	278197.00	279953.00	280123.00	284110.00	265667.00	278013.00	248887.00	289680.00	260585.00	274106.00	280981.00	272614.00	266825.00	264995.00	284088.00
(R)-(+)-2-Pyrrolidone-5-carboxylic acid	253595.00	189106.00	195816.00	188848.00	208041.00	202405.00	164921.00	201413.00	46837.00	39466.00	260117.00	255577.00	189922.00	195642.00	269675.00	245220.00	233009.00	233334.00	168195.00	162453.00	215256.00	213984.00	128348.00	124521.00
C44 H74 N3 O11	329571.00	322734.00	325541.00	308762.00	316565.00	314951.00	319073.00	302968.00	304464.00	298291.00	302838.00	295496.00	297165.00	305162.00	292128.00	297748.00	299669.00	289304.00	290860.00	293176.00	298728.00	294333.00	294570.00	296644.00
C30 H54 N O4	341325.00	333466.00	336252.00	342346.00	341623.00	357840.00	328860.00	343889.00	349428.00	320323.00	344855.00	343419.00	340685.00	335647.00	346343.00	351854.00	343417.00	351741.00	345108.00	334068.00	324160.00	354044.00	316989.00	306149.00
C4 Cl2 N4 O2 S4	300242.00	312220.00	320711.00	322992.00	323634.00	317285.00	304688.00	296246.00	17533.00	18791.00	300341.00	313938.00	297389.00	305184.00	292714.00	288615.00	292096.00	290818.00	299600.00	293301.00	290546.00	281683.00	232930.00	237155.00
C6 H8 N3 O5	283327.00	291067.00	174602.00	220633.00	197626.00	239970.00	458745.00	215857.00	1.00	1.00	183110.00	421123.00	190997.00	262532.00	206493.00	294946.00	235291.00	245425.00	178839.00	182031.00	211538.00	222163.00	1.00	146528.00
Bis (2-hydroxypropyl) amine	259878.00	264012.00	254082.00	257501.00	282553.00	289846.00	216294.00	222761.00	282324.00	285379.00	257520.00	256196.00	277621.00	262322.00	209860.00	218882.00	250050.00	246221.00	226886.00	221676.00	234113.00	233386.00	238180.00	231633.00
Endothal	198109.00	214798.00	268753.00	278436.00	255253.00	253176.00	252600.00	245952.00	45831.00	47561.00	220841.00	217464.00	191828.00	160131.00	296224.00	281352.00	300121.00	294858.00	191041.00	189667.00	312846.00	322126.00	164605.00	170302.00
C11 H2 O2	120380.00	125915.00	97822.00	78035.00	128750.00	125657.00	115997.00	116044.00	89889.00	89401.00	104111.00	98720.00	111791.00	108678.00	298729.00	300646.00	110932.00	105586.00	163588.00	157622.00	94410.00	99342.00	121632.00	111383.00
Khellol glucoside	239866.00	236903.00	278944.00	282408.00	216309.00	218493.00	218220.00	210080.00	16658.00	13364.00	174736.00	174933.00	204197.00	198038.00	219571.00	231207.00	246212.00	243585.00	155386.00	153696.00	206035.00	211674.00	129078.00	129873.00
DL-pipecolic acid	185767.00	411650.00	297636.00	297858.00	265547.00	260700.00	248618.00	137677.00	210233.00	241282.00	190551.00	191222.00	290176.00	279245.00	262223.00	267123.00	275571.00	263706.00	231665.00	216635.00	208927.00	209214.00	163215.00	150303.00
C50 H54 N6 O4 S2	108979.00	103771.00	37957.00	36077.00	85768.00	82287.00	278258.00	278974.00	98861.00	109294.00	37597.00	37179.00	91709.00	90457.00	60884.00	63683.00	115502.00	116963.00	50650.00	47787.00	102573.00	106827.00	110700.00	107576.00
Erucicoyl-EA	315656.00	318314.00	299169.00	281447.00	303921.00	326233.00	315265.00	397177.00	264390.00	320523.00	274883.00	270498.00	283336.00	271433.00	267068.00	252317.00	268911.00	285769.00	298435.00	294508.00	319236.00	267806.00	284356.00	268647.00
C22 H45 N O8	265477.00	246361.00	250504.00	248724.00	244184.00	243449.00	243632.00	251582.00	244234.00	254907.00	243072.00	243366.00	242669.00	234840.00	262540.00	254436.00	250087.00	246143.00	242039.00	232605.00	239967.00	244871.00	232460.00	241032.00
2-(1-Aziridinyl)ethanol	84764.00	88905.00	60438.00	74562.00	76685.00	82995.00	75593.00	91021.00	329565.00	323751.00	81256.00	79503.00	70832.00	71204.00	69368.00	79758.00	50071.00	52491.00	42576.00	53616.00	31088.00	43200.00	92240.00	109361.00
C11 H Cl3 N O6 S2	298459.00	280318.00	287936.00	302207.00	290044.00	305759.00	297299.00	305864.00	26225.00	21903.00	284951.00	293012.00	292716.00	289735.00	266839.00	275397.00	281667.00	281405.00	273635.00	282683.00	289236.00	288941.00	241024.00	239468.00
C26 H48 N2 O3	1.00	1.00	19971.00	17793.00	57832.00	59173.00	20365.00	19879.00	312216.00	320794.00	66527.00	64373.00	13499.00	14232.00	12695.00	9250.00	39102.00	31945.00	54466.00	52092.00	52691.00	55071.00	57034.00	56532.00
C43 H83 N O15	398867.00	390468.00	398274.00	392191.00	384313.00	406913.00	388538.00	364722.00	330813.00	360477.00	387582.00	388055.00	381783.00	399741.00	321388.00	348121.00	359915.00	359305.00	297574.00	423019.00	359448.00	375944.00	376230.00	321678.00
C6 H10 N2 O10	334719.00	328360.00	235075.00	228512.00	276309.00	274635.00	274176.00	257863.00	8738.00	10358.00	231827.00	235229.00	228335.00	240951.00	247324.00	248484.00	247195.00	240152.00	232905.00	235434.00	253642.00	254588.00	150658.00	149936.00
L-Leucine	402399.00	425092.00	209150.00	239850.00	202392.00	205366.00	157515.00	126011.00	88508.00	83400.00	152184.00	155097.00	169900.00	160112.00	322082.00	340813.00	237606.00	244092.00	188077.00	182473.00	181079.00	166623.00	181444.00	164846.00
C14 H34 N3 S2	290450.00	274445.00	328018.00	269196.00	387070.00	354099.00	263300.00	298189.00	392670.00	409877.00	391602.00	377054.00	294415.00	302811.00	249868.00	279053.00	295399.00	274515.00	360129.00	351424.00	265249.00	268180.00	247634.00	259177.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate Esi+10.916	591027.00	580919.00	1.00	1.00	486349.00	469981.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
12-amino-dodecanoic acid	139069.00	140435.00	55888.00	61379.00	74592.00	78507.00	50307.00	47356.00	278737.00	272342.00	69743.00	63035.00	67499.00	69722.00	64904.00	78727.00	63730.00	63232.00	68042.00	60656.00	76128.00	82287.00	66199.00	72008.00
2,4-Diamino-6,7-dimethoxyquinazoline	56724.00	162780.00	118787.00	130696.00	110840.00	42466.00	84397.00	216973.00	27211.00	22295.00	112921.00	49441.00	115444.00	105572.00	475942.00	267091.00	135039.00	138493.00	221585.00	404214.00	246006.00	425453.00	371267.00	384411.00
C17 Sphinganine	121841.00	118005.00	118676.00	121404.00	141093.00	141201.00	105020.00	103094.00	258339.00	263839.00	284573.00	271127.00	106108.00	106139.00	95569.00	89572.00	121788.00	122420.00	125589.00	120876.00	136431.00	135440.00	117352.00	121447.00
Prosopinine	220313.00	214466.00	213253.00	218795.00	203995.00	220488.00	199105.00	183386.00	217902.00	196991.00	217545.00	215281.00	192874.00	192355.00	200889.00	219836.00	209441.00	223978.00	203615.00	193171.00	214976.00	214267.00	207974.00	198336.00
Agecorynin D	252405.00	240484.00	197298.00	196002.00	194191.00	195093.00	194876.00	182263.00	7145.00	1.00	158874.00	149930.00	166575.00	166951.00	264930.00	277088.00	261507.00	260554.00	139291.00	140866.00	230875.00	231959.00	96009.00	95171.00
Practolol Esi+11.28	6567184.00	6481939.00	2938656.00	2864154.00	211119.00	227809.00	2989674.00	2996264.00	159231.00	157073.00	2068650.00	2142544.00	1509023.00	1506596.00	1976280.00	1995611.00	163596.00	165341.00	3343538.00	3357011.00	2682038.00	2696060.00	2555841.00	2601853.00
Fexofenadine	294355.00	289330.00	17440.00	18973.00	24324.00	27586.00	16540.00	16443.00	68021.00	65974.00	1.00	1.00	45194.00	44861.00	35410.00	34733.00	16394.00	19975.00	1.00	1.00	10141.00	11295.00	1.00	1.00
Nojirimycin	398582.00	409498.00	229985.00	227493.00	253347.00	260763.00	263713.00	254838.00	56364.00	55119.00	226489.00	206496.00	219569.00	226258.00	291522.00	281126.00	291746.00	283621.00	207964.00	267160.00	338636.00	338524.00	221026.00	211621.00
C13 H22 N4 O	399576.00	352377.00	291387.00	300387.00	409863.00	417713.00	253543.00	273962.00	263511.00	268150.00	309019.00	307243.00	232494.00	249926.00	224576.00	239125.00	309381.00	310431.00	433890.00	419029.00	194507.00	195522.00	196541.00	190927.00
(R)-(+)-2-Pyrrolidone-5-carboxylic acid Esi+1.1289998	1.00	63074.00	148505.00	134655.00	156623.00	157266.00	116855.00	121100.00	1015332.00	922359.00	95928.00	101986.00	154715.00	151057.00	218300.00	184550.00	180196.00	181537.00	113481.00	122558.00	176461.00	182904.00	112138.00	107445.00
C7 H Cl3 N3 O3 S2	280938.00	291719.00	282240.00	279523.00	284548.00	296285.00	278333.00	280375.00	25522.00	26804.00	276806.00	277189.00	277552.00	283269.00	277939.00	281980.00	266125.00	259463.00	271578.00	276263.00	271488.00	270630.00	229950.00	230218.00
Catechin-4beta-ol	139528.00	131802.00	23428.00	23915.00	25877.00	26808.00	18832.00	22238.00	168656.00	169646.00	14076.00	16191.00	24997.00	25480.00	47155.00	47750.00	29484.00	27516.00	33709.00	31841.00	20513.00	21169.00	1.00	1.00
C23 H43 N O6	22883.00	20989.00	64024.00	60427.00	132265.00	129320.00	219598.00	221810.00	70768.00	76564.00	56803.00	53504.00	112149.00	108407.00	340862.00	332669.00	71686.00	69838.00	28681.00	32913.00	39723.00	41080.00	49199.00	47847.00
C44 H22 N2 O2	176565.00	178209.00	233682.00	180438.00	242825.00	188156.00	186628.00	183029.00	174555.00	183468.00	250634.00	174230.00	198566.00	178261.00	212282.00	168311.00	154408.00	172938.00	170687.00	169332.00	187382.00	172594.00	309592.00	164360.00
C5 H Cl3 N O S4	283208.00	278562.00	309798.00	299951.00	299665.00	283038.00	283124.00	285014.00	13916.00	11957.00	278298.00	273243.00	283782.00	288713.00	280375.00	281726.00	285643.00	287168.00	261118.00	263260.00	267023.00	270874.00	211533.00	209954.00
C18 H12 N8 O3	297936.00	275432.00	322356.00	268884.00	307518.00	276644.00	308403.00	264468.00	308632.00	266862.00	289061.00	270333.00	289756.00	266425.00	287493.00	245030.00	277029.00	234952.00	273985.00	240024.00	285454.00	235280.00	309004.00	238455.00
C6 H7 O2 S	253029.00	268462.00	114638.00	97634.00	237946.00	249471.00	301329.00	290653.00	137702.00	133317.00	274832.00	247636.00	278172.00	267474.00	79918.00	72723.00	144336.00	124523.00	290880.00	348479.00	121427.00	140869.00	216689.00	203107.00
Deoxymiroestrol Esi+11.683003	259409.00	692537.00	707316.00	638125.00	257174.00	682112.00	254079.00	619368.00	296996.00	301151.00	643443.00	266756.00	249722.00	646007.00	245511.00	222082.00	239330.00	239318.00	249697.00	252314.00	616877.00	600959.00	210241.00	592678.00
C12 H23 N12 O5	71470.00	72026.00	54282.00	55958.00	37158.00	41315.00	30903.00	35721.00	1.00	1.00	17587.00	16808.00	18070.00	23248.00	255833.00	255280.00	135096.00	146994.00	45377.00	44592.00	109429.00	111105.00	14402.00	13491.00
Orthoform Esi+1.5289998	220246.00	225797.00	266755.00	272131.00	265374.00	276817.00	170929.00	163517.00	1.00	1.00	227083.00	237970.00	191868.00	203378.00	297797.00	298506.00	256316.00	244957.00	230915.00	254137.00	290602.00	290445.00	105857.00	105534.00
C23 H47 N8 O8	272443.00	273127.00	261010.00	265303.00	262001.00	259854.00	260590.00	267472.00	279800.00	275727.00	256802.00	251621.00	255351.00	250927.00	266636.00	276831.00	269526.00	266529.00	269463.00	264316.00	241433.00	255099.00	281616.00	286090.00
C15 H Cl3 N S5	283055.00	280853.00	291076.00	276632.00	290212.00	292917.00	288469.00	284967.00	13063.00	11967.00	287920.00	278772.00	281285.00	277621.00	274007.00	280229.00	272283.00	267062.00	278573.00	277167.00	275323.00	279850.00	210990.00	205823.00
Convolvine	172790.00	174655.00	136834.00	143595.00	140174.00	149160.00	120564.00	125712.00	1.00	1.00	88573.00	87231.00	121413.00	127323.00	219604.00	221124.00	259232.00	255246.00	106038.00	108486.00	159155.00	170768.00	61163.00	68292.00
l-2-hydroxy-decanoic acid Esi+5.1549993	347295.00	297577.00	234456.00	211684.00	231962.00	213146.00	204842.00	231771.00	205680.00	196616.00	174950.00	133153.00	227642.00	231398.00	100244.00	106664.00	219192.00	232603.00	332873.00	328350.00	203564.00	144678.00	158852.00	147143.00
C15 H14	171048.00	181169.00	245628.00	210684.00	213812.00	223404.00	158939.00	174590.00	10981.00	1.00	194371.00	185121.00	168835.00	170869.00	256101.00	264780.00	232985.00	221720.00	200847.00	197360.00	237557.00	234234.00	139359.00	137803.00
C10 H6 N2 O11	300850.00	294113.00	249520.00	238510.00	285548.00	280316.00	278614.00	275048.00	259658.00	251481.00	257876.00	260906.00	250924.00	253611.00	277463.00	277666.00	243053.00	253623.00	269662.00	287133.00	219600.00	222473.00	245376.00	244091.00
Pseudouridine	701737.00	622063.00	1052808.00	947134.00	788665.00	783319.00	1126958.00	994773.00	59078.00	63968.00	1273504.00	1248077.00	894807.00	901508.00	1495770.00	340750.00	433350.00	284077.00	1119814.00	395837.00	2295285.00	2306092.00	758097.00	989198.00
C8 H2 N O6 S Esi+0.8409997	784827.00	786660.00	783266.00	757866.00	838105.00	823541.00	805257.00	828423.00	150923.00	155731.00	805720.00	807898.00	787313.00	786739.00	759567.00	783961.00	750160.00	727086.00	806187.00	825175.00	758191.00	749256.00	689972.00	677491.00
Glycyl-L-leucine	199357.00	192314.00	137905.00	136588.00	162299.00	158436.00	140755.00	131391.00	10539.00	12377.00	126586.00	117086.00	146485.00	151849.00	278996.00	279810.00	135535.00	145812.00	115028.00	121266.00	149015.00	151349.00	63151.00	63357.00
C7 H10	215647.00	201624.00	277864.00	265725.00	145921.00	154969.00	153150.00	162555.00	137090.00	131435.00	140951.00	147006.00	131783.00	128181.00	141953.00	151301.00	201559.00	204553.00	145297.00	141069.00	227239.00	231382.00	187250.00	201056.00
C23 H30 N2 O8	265439.00	259897.00	250743.00	269513.00	270989.00	260221.00	238196.00	251217.00	247117.00	250116.00	244671.00	238373.00	244164.00	247374.00	238028.00	231216.00	247362.00	249803.00	239066.00	246685.00	243673.00	243216.00	243293.00	236143.00
C8 H14 N2	361857.00	343982.00	351031.00	337844.00	280749.00	332168.00	300201.00	322771.00	338458.00	331556.00	355878.00	341784.00	325901.00	266596.00	290673.00	328053.00	315861.00	263045.00	378150.00	300242.00	377065.00	282952.00	310110.00	345758.00
C10 H3 Cl O12 S4	260947.00	258138.00	262049.00	255149.00	253873.00	261301.00	256898.00	253532.00	23074.00	22287.00	254414.00	255318.00	242112.00	243172.00	226115.00	231995.00	229616.00	230733.00	254295.00	250164.00	240264.00	235919.00	199590.00	201639.00
5,2',4',5'-Tetrahydroxy-3-(3-hydroxy-3-methylbutyl)-6'',6''-dimethylpyrano[2'',3'':7,8]flavone	180417.00	186198.00	112181.00	114388.00	166812.00	165674.00	230404.00	235243.00	166668.00	172107.00	108976.00	117701.00	161034.00	153949.00	131405.00	135767.00	172765.00	180760.00	117381.00	120757.00	163651.00	169394.00	159375.00	164512.00
Imidazol-5-yl-pyruvate	282373.00	277667.00	128925.00	126457.00	91970.00	92996.00	129295.00	135771.00	11841.00	13265.00	101293.00	102226.00	78636.00	76154.00	98215.00	94821.00	40305.00	37041.00	158096.00	162190.00	134434.00	128953.00	120218.00	126405.00
C23 H47 N8 O2 Esi+11.406003	56090.00	71255.00	63722.00	62551.00	58430.00	64301.00	66165.00	58181.00	74210.00	72529.00	276420.00	262115.00	54546.00	62409.00	73347.00	71348.00	65390.00	69673.00	55480.00	57598.00	61855.00	61869.00	72047.00	72130.00
CPX	40450.00	33410.00	82044.00	82551.00	245770.00	237561.00	167514.00	180041.00	93959.00	87463.00	62320.00	60950.00	152220.00	150389.00	205948.00	194076.00	85662.00	79635.00	58608.00	61068.00	49807.00	53078.00	48856.00	47170.00
C25 H51 N8 O3 Esi+11.454	53532.00	49064.00	46788.00	49241.00	45785.00	44904.00	56558.00	57275.00	58092.00	60052.00	269580.00	263292.00	51632.00	49439.00	64700.00	55513.00	54564.00	57638.00	48930.00	46047.00	40857.00	49375.00	56955.00	60394.00
Melochinone	290092.00	285240.00	298703.00	284378.00	327917.00	292592.00	303464.00	296152.00	295328.00	289063.00	295113.00	305018.00	291346.00	295992.00	290413.00	298015.00	296489.00	260643.00	277348.00	259474.00	283514.00	288594.00	282177.00	271400.00
N1,N4-Diacetylsulfanilamide	170178.00	174160.00	144694.00	149043.00	204189.00	204967.00	173090.00	182777.00	248499.00	253959.00	172944.00	174854.00	169783.00	174543.00	161236.00	155418.00	165797.00	166173.00	164562.00	162561.00	165887.00	157541.00	134943.00	143111.00
C12 Cl2 O8 S4	258488.00	260061.00	254133.00	263837.00	263024.00	271477.00	263568.00	253402.00	16883.00	14822.00	254158.00	266218.00	259185.00	246558.00	235805.00	240177.00	245763.00	240036.00	248363.00	249283.00	249383.00	248698.00	195369.00	200094.00
C10 H18 N3 O4	226411.00	228685.00	173707.00	171935.00	187882.00	187416.00	179719.00	157986.00	7921.00	6561.00	133540.00	145181.00	140735.00	156451.00	257966.00	259948.00	220716.00	220885.00	220109.00	219030.00	207125.00	209950.00	95884.00	99903.00
Quinacetol	234139.00	215221.00	105670.00	102741.00	98084.00	96829.00	80227.00	75161.00	79717.00	83611.00	54038.00	54446.00	98910.00	99205.00	152858.00	143463.00	111010.00	114402.00	97896.00	104438.00	92190.00	91087.00	78127.00	83616.00
C44 H81 N O12	243553.00	240151.00	256373.00	249477.00	244171.00	251823.00	250679.00	239283.00	230562.00	239293.00	233313.00	236690.00	236290.00	224622.00	230285.00	226007.00	232147.00	232017.00	238303.00	234021.00	228792.00	229880.00	217485.00	217371.00
C25 H45 N	192778.00	206202.00	208197.00	183275.00	204466.00	195345.00	205016.00	197041.00	188818.00	192159.00	222063.00	205564.00	193256.00	183957.00	196511.00	190466.00	190261.00	190785.00	211743.00	184869.00	206764.00	188091.00	189273.00	181033.00
C16 H35 N O	330694.00	329847.00	322158.00	315314.00	305408.00	315987.00	288328.00	253240.00	280082.00	289259.00	293405.00	274313.00	269452.00	246428.00	252754.00	255285.00	309426.00	303230.00	239051.00	241576.00	240915.00	236669.00	216774.00	219333.00
C8 H2 N2 O12	255858.00	253440.00	202060.00	212495.00	236413.00	221550.00	221657.00	218923.00	1.00	1.00	202218.00	192372.00	208175.00	200049.00	212523.00	206292.00	220950.00	227706.00	189113.00	188281.00	221633.00	207142.00	106962.00	104333.00
C10 H Cl3 O4 S5	247891.00	252880.00	262547.00	265222.00	256474.00	248971.00	254188.00	247379.00	8487.00	8534.00	250776.00	248896.00	247115.00	236895.00	234491.00	249489.00	245063.00	248671.00	230445.00	233152.00	240850.00	249671.00	177723.00	180981.00
C5 H5 N5 O3	142585.00	140749.00	194148.00	194203.00	225328.00	232855.00	196810.00	197970.00	33714.00	34803.00	196227.00	195362.00	198000.00	199016.00	215896.00	216986.00	222911.00	214332.00	182904.00	197712.00	203396.00	206442.00	139268.00	150293.00
N-oleoyl ethanolamine	290715.00	256715.00	259974.00	259648.00	241523.00	263903.00	267068.00	265282.00	236320.00	227731.00	272626.00	261828.00	268567.00	278437.00	254408.00	246322.00	260725.00	257587.00	246982.00	247719.00	238446.00	259825.00	221645.00	244610.00
4-Amino-2-hydroxylamino-6-nitrotoluene	296972.00	288259.00	321982.00	299015.00	202621.00	210944.00	181900.00	180154.00	79800.00	81701.00	179706.00	167798.00	275977.00	285129.00	222747.00	221435.00	258565.00	276533.00	267565.00	266507.00	280436.00	280427.00	201088.00	191545.00
Propionyl-L-carnitine	259710.00	277759.00	63664.00	60109.00	90683.00	92059.00	68886.00	64944.00	93306.00	101773.00	51798.00	48352.00	73290.00	64548.00	205582.00	216660.00	159011.00	150939.00	96548.00	93609.00	70298.00	73709.00	61094.00	57159.00
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol	205064.00	205144.00	127112.00	155036.00	174465.00	141174.00	151426.00	123884.00	127980.00	159451.00	160185.00	140394.00	134991.00	134597.00	126807.00	166424.00	176136.00	165141.00	168914.00	158728.00	156081.00	137483.00	143263.00	134646.00
2R-aminoheptanoic acid	245122.00	252779.00	100346.00	100054.00	123230.00	119619.00	122905.00	126707.00	112245.00	111481.00	87762.00	92125.00	96274.00	95038.00	200091.00	199672.00	144725.00	136169.00	137951.00	141770.00	103828.00	104609.00	85473.00	78429.00
C18 H27 N5 O4	20599.00	19692.00	224481.00	197153.00	89976.00	94442.00	1.00	9581.00	24294.00	23049.00	26120.00	25410.00	12299.00	13911.00	1.00	1.00	83672.00	86391.00	23013.00	20638.00	1.00	1.00	10512.00	10636.00
C8 H15 N3 O	243518.00	349504.00	367853.00	353780.00	334590.00	225175.00	202857.00	242781.00	320283.00	222013.00	372998.00	207327.00	349904.00	365508.00	323469.00	318933.00	254132.00	256060.00	247066.00	181005.00	194135.00	177504.00	276705.00	217374.00
C10 H2 N3 O Esi+1.9399997 :1	917656.00	908527.00	789924.00	815150.00	1130456.00	1098191.00	1115695.00	1084186.00	1473978.00	1426428.00	1023563.00	1036253.00	765533.00	767586.00	811002.00	829736.00	816195.00	820637.00	682841.00	682516.00	843633.00	822463.00	803089.00	815065.00
C4 H5 N O	212633.00	200133.00	169282.00	207744.00	222028.00	211481.00	201016.00	216384.00	64674.00	65002.00	243140.00	243574.00	181361.00	178559.00	188109.00	180952.00	201084.00	211071.00	216199.00	201698.00	190317.00	195193.00	208541.00	193669.00
3-Hydroxy-1-indanone	151810.00	174051.00	167752.00	162638.00	157293.00	173410.00	158860.00	166988.00	160899.00	164949.00	156849.00	158089.00	165179.00	154167.00	168829.00	161110.00	157954.00	158476.00	163929.00	157245.00	157414.00	148803.00	151763.00	157800.00
C16 Cl2 N S5	224616.00	222236.00	230554.00	236834.00	250916.00	242338.00	240234.00	245861.00	13917.00	16769.00	239088.00	246134.00	231998.00	240908.00	222817.00	219256.00	218308.00	219305.00	235353.00	229234.00	222088.00	232406.00	174916.00	172280.00
Deoxymiroestrol Esi+11.628 :1	363168.00	341409.00	678699.00	299355.00	281280.00	649969.00	295606.00	278825.00	390740.00	796147.00	605243.00	293025.00	278497.00	669073.00	275731.00	297813.00	254554.00	249240.00	285264.00	291207.00	595355.00	297133.00	257312.00	577819.00
C6 H5 N2 O4	251183.00	236169.00	225076.00	226040.00	241604.00	247312.00	237633.00	223247.00	89639.00	95878.00	219037.00	226265.00	185502.00	190399.00	239011.00	248854.00	257925.00	249668.00	163735.00	170020.00	301806.00	314071.00	146985.00	160732.00
C10 H16 N4	379436.00	421884.00	354437.00	385211.00	432120.00	466856.00	337267.00	503204.00	378097.00	387643.00	385778.00	372357.00	376254.00	379429.00	339916.00	341659.00	423729.00	356111.00	421333.00	320871.00	315709.00	344713.00	316271.00	257070.00
C7 H10 N2 O5 S5	277587.00	285332.00	278174.00	270949.00	273530.00	274052.00	288294.00	275865.00	66118.00	65560.00	265135.00	267444.00	265539.00	263556.00	242534.00	238774.00	246989.00	250503.00	261457.00	265191.00	258704.00	254797.00	240654.00	235068.00
C30 H53 N12	410114.00	472214.00	207957.00	183788.00	244507.00	231876.00	187651.00	221660.00	255955.00	176797.00	191505.00	228241.00	186359.00	219275.00	352896.00	221622.00	336866.00	225998.00	238704.00	233137.00	221045.00	190450.00	219429.00	161753.00
C8 H2 N O6 S Esi+0.8409997 :1	592157.00	595743.00	607178.00	582468.00	631052.00	623690.00	599374.00	624210.00	134031.00	139521.00	605172.00	610897.00	598221.00	600270.00	609304.00	627096.00	576243.00	566908.00	609571.00	619678.00	594669.00	585886.00	535574.00	531584.00
C13 H23 N O2	98024.00	92833.00	118015.00	112547.00	129791.00	131189.00	127880.00	118500.00	189075.00	186409.00	179467.00	182722.00	86590.00	88203.00	108010.00	106120.00	95866.00	87196.00	160765.00	148691.00	109666.00	101485.00	115733.00	112622.00
L-Isoleucine Esi+1.6220005	245064.00	240200.00	117048.00	119101.00	109975.00	107285.00	87029.00	78026.00	66579.00	67773.00	81890.00	78205.00	97711.00	94352.00	199438.00	208459.00	142735.00	135612.00	115774.00	113022.00	87716.00	94054.00	100694.00	85826.00
C21 H37 N	160536.00	172192.00	154180.00	141874.00	161570.00	153263.00	150518.00	149418.00	169973.00	163050.00	209120.00	212192.00	146345.00	134978.00	154145.00	148832.00	164323.00	173619.00	144103.00	149039.00	127365.00	139508.00	173733.00	158500.00
10-Deacetyl-2-debenzoylbaccatin III	140058.00	144019.00	82686.00	76126.00	124956.00	121854.00	237825.00	232362.00	141845.00	127989.00	84667.00	82885.00	122416.00	128087.00	106968.00	102090.00	140968.00	143209.00	101133.00	94612.00	138911.00	136582.00	139196.00	142287.00
C10 O3 S2	242450.00	250585.00	236027.00	235681.00	243948.00	237888.00	240359.00	238371.00	49443.00	49493.00	237395.00	243815.00	244003.00	231834.00	249536.00	249457.00	230786.00	232524.00	243128.00	242307.00	235367.00	228377.00	205513.00	201069.00
Neoilludin A Esi+6.1929984	81066.00	89763.00	83641.00	84272.00	108882.00	108914.00	58223.00	64012.00	190943.00	216152.00	80117.00	81146.00	109826.00	111052.00	98961.00	113753.00	163238.00	177930.00	102832.00	110917.00	147869.00	127232.00	123570.00	130742.00
C8 H2 N O9 S3 Esi+0.8419997	507430.00	497420.00	472819.00	469308.00	501131.00	504960.00	504256.00	500166.00	89939.00	84887.00	484349.00	485407.00	487699.00	474941.00	423715.00	445673.00	440141.00	439521.00	473112.00	477263.00	446375.00	461979.00	403670.00	402864.00
Val Lys	216800.00	204750.00	214808.00	210387.00	181341.00	184309.00	177394.00	171376.00	40525.00	42328.00	158017.00	148639.00	187794.00	180865.00	229543.00	233263.00	217764.00	209400.00	162244.00	153532.00	192404.00	193868.00	120470.00	126456.00
Hypoxanthine Esi+2.6959994	255637.00	253714.00	77901.00	74040.00	119481.00	78986.00	104959.00	102864.00	1.00	1.00	54954.00	63955.00	63140.00	51499.00	317424.00	343844.00	178203.00	198286.00	125779.00	119405.00	111080.00	134389.00	92554.00	88341.00
L-isoleucyl-L-proline	123350.00	186330.00	105853.00	70841.00	95277.00	219916.00	122179.00	135272.00	31884.00	17273.00	128485.00	75275.00	198403.00	186408.00	291514.00	611930.00	169723.00	259253.00	138543.00	341376.00	111899.00	110964.00	206246.00	94713.00
C10 H16 N3 O2	266989.00	256894.00	193252.00	197924.00	166235.00	187517.00	169218.00	177204.00	161907.00	151324.00	134415.00	143091.00	197520.00	183342.00	108995.00	118311.00	170058.00	210238.00	247076.00	270023.00	195262.00	135549.00	216808.00	204556.00
C16 H34 O3	139197.00	158082.00	198851.00	194756.00	150002.00	189225.00	121418.00	153316.00	124115.00	120193.00	126324.00	137977.00	115068.00	112995.00	194281.00	195718.00	185729.00	171601.00	110997.00	115420.00	127451.00	118383.00	115651.00	111217.00
Indole-3-carboxaldehyde	104348.00	114493.00	137941.00	131810.00	185925.00	183504.00	146578.00	138999.00	1.00	8247.00	125305.00	120676.00	156487.00	159264.00	218572.00	230650.00	92244.00	92612.00	210188.00	208789.00	120181.00	126440.00	149124.00	143425.00
C9 H Cl3 O9 S5	222153.00	218030.00	225093.00	223376.00	226611.00	235260.00	230649.00	229724.00	9517.00	8501.00	224579.00	221643.00	221122.00	225500.00	217225.00	213448.00	215989.00	221386.00	220961.00	218504.00	217246.00	229602.00	164713.00	170466.00
C18 H Cl3 N O2 S5	231784.00	223683.00	233477.00	227559.00	238720.00	237933.00	226558.00	232155.00	10282.00	11025.00	226473.00	224135.00	219420.00	217407.00	206388.00	215092.00	206363.00	211592.00	222918.00	226803.00	217619.00	211148.00	165370.00	164971.00
C30 H57 N O9	251231.00	248708.00	227603.00	243723.00	231447.00	238265.00	241043.00	223657.00	244511.00	249211.00	228330.00	231103.00	223625.00	222241.00	242635.00	229979.00	222556.00	227539.00	215350.00	222080.00	217947.00	229065.00	224045.00	225424.00
C11 H20 S2	150349.00	157341.00	119402.00	114312.00	94591.00	96361.00	107526.00	109868.00	111975.00	118048.00	207988.00	207632.00	121194.00	128273.00	63314.00	63880.00	129812.00	119416.00	61175.00	70208.00	164807.00	166238.00	102349.00	92400.00
Lumichrome	103670.00	164251.00	71447.00	131219.00	115259.00	117760.00	112818.00	124019.00	26566.00	21547.00	123053.00	76551.00	232742.00	124702.00	225574.00	226656.00	126767.00	116248.00	181475.00	404356.00	192049.00	419972.00	366110.00	378468.00
C7 H13 O11	232286.00	230304.00	51734.00	46956.00	225618.00	213951.00	198125.00	204388.00	1.00	6831.00	158692.00	151396.00	187624.00	191600.00	14979.00	15491.00	33497.00	29648.00	168641.00	170831.00	19448.00	17371.00	113437.00	111088.00
CPX Esi+10.183001	48368.00	45530.00	114853.00	127198.00	334995.00	337393.00	263368.00	275550.00	129775.00	129559.00	101641.00	97740.00	230227.00	236636.00	305925.00	317482.00	120951.00	124073.00	85855.00	90628.00	80604.00	85762.00	82729.00	81330.00
Obtusilic acid	241701.00	220682.00	192994.00	173399.00	166224.00	159567.00	166830.00	169880.00	147515.00	146439.00	123655.00	121605.00	164532.00	164415.00	159801.00	152552.00	160068.00	148010.00	222798.00	243254.00	161608.00	131124.00	124557.00	109426.00
C30 H53 N O S	257255.00	249815.00	250553.00	258625.00	236404.00	240795.00	266523.00	239340.00	233717.00	233626.00	259870.00	248626.00	269651.00	263121.00	251255.00	246353.00	234626.00	235613.00	255343.00	235951.00	231753.00	230404.00	252877.00	250345.00
C14 H21 N5 O2	165248.00	148055.00	214980.00	216207.00	127082.00	128833.00	124129.00	130375.00	98448.00	94231.00	111107.00	119141.00	91346.00	92372.00	104355.00	109658.00	157906.00	146118.00	109878.00	114713.00	181916.00	205183.00	158667.00	161506.00
C12 H26 O3	206758.00	198858.00	137470.00	132087.00	106629.00	105223.00	154376.00	146983.00	127819.00	128667.00	185007.00	184476.00	108442.00	103513.00	109679.00	121530.00	113939.00	115798.00	123888.00	124776.00	144087.00	153318.00	134188.00	126767.00
C8 N2 O4 S3	240234.00	231328.00	235609.00	225879.00	238648.00	225475.00	225337.00	219828.00	43570.00	40767.00	214792.00	205635.00	204066.00	206123.00	191300.00	203404.00	192765.00	196630.00	204825.00	211856.00	191880.00	193089.00	175632.00	178800.00
Oleoyl Ethyl Amide	193862.00	182317.00	159011.00	182174.00	175893.00	178175.00	170756.00	162684.00	176617.00	174822.00	181445.00	184635.00	186606.00	185342.00	165495.00	78456.00	146116.00	170811.00	175146.00	165665.00	178469.00	175574.00	179437.00	179124.00
C31 H55 N8 O3	241801.00	221979.00	225137.00	212916.00	228052.00	232296.00	209286.00	214192.00	231761.00	224046.00	214422.00	226207.00	218909.00	196226.00	224679.00	218361.00	197456.00	214827.00	214500.00	214590.00	213790.00	226800.00	221810.00	216217.00
Proline Esi+1.7989999	192740.00	223271.00	243340.00	212498.00	238874.00	233658.00	158942.00	149250.00	1.00	1.00	198391.00	206083.00	188064.00	182152.00	356322.00	335940.00	220179.00	210038.00	210404.00	191956.00	249181.00	266827.00	127459.00	121701.00
C3 H6 N2 S2	126942.00	230479.00	347687.00	362661.00	342365.00	354310.00	286412.00	290025.00	1.00	7691.00	222967.00	231673.00	293504.00	292722.00	333195.00	346358.00	298025.00	324779.00	280016.00	278639.00	150688.00	147827.00	123034.00	201905.00
5-Methyldeoxycytidine	191244.00	198038.00	134405.00	133136.00	119812.00	120478.00	58791.00	54183.00	1.00	1.00	205999.00	220036.00	143262.00	149537.00	106215.00	113453.00	189660.00	189201.00	213710.00	215585.00	169672.00	175074.00	59359.00	62699.00
C17 Sphinganine Esi+10.087003	145112.00	139207.00	165734.00	166644.00	142491.00	145798.00	148034.00	154065.00	215721.00	211479.00	145378.00	137101.00	130625.00	131938.00	133635.00	146046.00	132162.00	134221.00	131855.00	136228.00	170900.00	166935.00	158210.00	151493.00
C7 H2 Cl2 N O4 S5	213574.00	204965.00	223585.00	228218.00	228133.00	217155.00	218508.00	215038.00	7899.00	8767.00	222342.00	220204.00	218475.00	215737.00	212503.00	213132.00	218128.00	214434.00	203776.00	208680.00	209180.00	221363.00	161869.00	164761.00
C4 H2 O8 S2	199852.00	200722.00	139724.00	131631.00	135821.00	142786.00	144252.00	139426.00	225255.00	239768.00	137610.00	141682.00	129002.00	138536.00	135754.00	136741.00	124735.00	126566.00	158414.00	155510.00	120859.00	129115.00	138181.00	141776.00
C8 H2 S	188160.00	202952.00	66203.00	53167.00	175619.00	186166.00	222134.00	218409.00	99894.00	98389.00	202753.00	179929.00	157306.00	161252.00	42042.00	34609.00	67339.00	68928.00	217863.00	221006.00	59897.00	38610.00	130812.00	134410.00
Phenylmethyl methyl ketone	118025.00	114385.00	61027.00	60343.00	100555.00	105447.00	211920.00	224436.00	125089.00	114154.00	60933.00	63510.00	103480.00	106073.00	83918.00	79270.00	112852.00	123475.00	70135.00	68182.00	107918.00	108851.00	121970.00	109610.00
C8 N2 O S	282284.00	288409.00	232185.00	246334.00	289978.00	235889.00	271796.00	292738.00	70509.00	83638.00	264816.00	270021.00	287080.00	301626.00	276368.00	261111.00	265081.00	258444.00	272557.00	279504.00	254977.00	257462.00	234025.00	218000.00
C25 H51 N8 O9	220402.00	220672.00	206548.00	210082.00	215072.00	209036.00	209820.00	209343.00	221521.00	221035.00	202959.00	199236.00	192436.00	199072.00	206599.00	212196.00	225180.00	213201.00	212184.00	215338.00	201353.00	200500.00	219477.00	223645.00
2-amino-tetradecanoic acid	36877.00	37394.00	33690.00	43317.00	34159.00	26161.00	31099.00	61468.00	39817.00	34099.00	190844.00	196003.00	28367.00	31888.00	48556.00	47964.00	29502.00	32523.00	34561.00	37081.00	30294.00	36906.00	31609.00	32686.00
C34 H69 N O10	40164.00	50247.00	38186.00	30481.00	27304.00	38238.00	37443.00	30070.00	20867.00	48361.00	32715.00	34849.00	240640.00	223251.00	30287.00	36348.00	34481.00	20438.00	30637.00	30586.00	31771.00	28708.00	45059.00	33364.00
5-(3,4-Dihydroxyphenyl)-5-ethylbarbituric acid	215490.00	219210.00	165773.00	160222.00	157817.00	158156.00	105913.00	112662.00	10792.00	13411.00	118013.00	116271.00	110801.00	110791.00	101227.00	106397.00	156567.00	164418.00	127577.00	132822.00	116571.00	117396.00	94209.00	91118.00
C19 Cl2 O5 S5	256943.00	254801.00	253267.00	247790.00	265148.00	252915.00	254967.00	259517.00	19293.00	22585.00	258316.00	258295.00	252342.00	243198.00	232177.00	231766.00	230507.00	232960.00	247364.00	257843.00	240807.00	237973.00	197688.00	196755.00
para-Benzoquinone dioxime	39329.00	34685.00	20979.00	24300.00	19323.00	23647.00	116425.00	53274.00	241953.00	231245.00	72585.00	67467.00	32326.00	36101.00	61549.00	64302.00	47500.00	45488.00	69372.00	72531.00	21360.00	16757.00	27401.00	30595.00
2-hydroxy-iminostilbene	69097.00	68056.00	97492.00	97958.00	107406.00	105715.00	44756.00	43985.00	1.00	6823.00	67171.00	61339.00	103351.00	97060.00	119140.00	121131.00	111366.00	104325.00	82926.00	81454.00	145964.00	149490.00	93480.00	90705.00
Malyngamide J	164320.00	163589.00	1.00	1.00	17783.00	16261.00	20924.00	1.00	14582.00	1.00	22627.00	1.00	1.00	14628.00	27801.00	25425.00	28799.00	30131.00	34114.00	46634.00	26069.00	31669.00	238689.00	247846.00
YM-201636	183855.00	177213.00	110183.00	115749.00	134737.00	136627.00	92228.00	90547.00	9570.00	9180.00	95308.00	97910.00	131342.00	128418.00	148503.00	154766.00	107949.00	117745.00	104127.00	106658.00	129304.00	131239.00	64673.00	66071.00
3-Methylcytosine	216859.00	215296.00	145136.00	147964.00	128887.00	125798.00	56998.00	60643.00	23723.00	33362.00	221185.00	208385.00	198306.00	195555.00	130553.00	132502.00	247909.00	245104.00	275428.00	268892.00	169119.00	177529.00	69551.00	69132.00
Alanine	187446.00	173890.00	110237.00	116612.00	160257.00	160778.00	150960.00	140071.00	55287.00	56285.00	127898.00	133730.00	136348.00	131904.00	209064.00	226457.00	177445.00	176591.00	171727.00	165958.00	167981.00	166987.00	111454.00	125341.00
Meradimate Esi+10.218997	94625.00	116585.00	113435.00	111965.00	127926.00	104778.00	101839.00	92624.00	100177.00	91665.00	96362.00	96509.00	90151.00	91412.00	83623.00	104834.00	88172.00	92801.00	89272.00	90757.00	98812.00	99075.00	95550.00	88561.00
3-Hydroxypromazine glucuronide	154624.00	152966.00	184957.00	179075.00	136039.00	138522.00	101862.00	93139.00	39905.00	36000.00	170712.00	174965.00	143931.00	144222.00	24771.00	26367.00	79388.00	77196.00	88699.00	88719.00	89358.00	90648.00	96174.00	97357.00
Stearamide	204681.00	191772.00	179874.00	179106.00	173112.00	156044.00	180514.00	181403.00	164988.00	167113.00	209767.00	171823.00	175299.00	155159.00	164667.00	163760.00	155958.00	173122.00	165629.00	161606.00	165624.00	154322.00	200233.00	172074.00
C27 H55 N8 O4	124243.00	130078.00	119199.00	129910.00	115142.00	122941.00	94926.00	90999.00	150416.00	121733.00	118868.00	94445.00	105074.00	105060.00	251472.00	263219.00	157683.00	143212.00	127266.00	117016.00	108348.00	109498.00	136481.00	105012.00
Tetradecylamine	201176.00	212133.00	214490.00	222656.00	234978.00	225700.00	201584.00	225454.00	230706.00	223709.00	213968.00	241953.00	189709.00	199437.00	215553.00	200942.00	224846.00	230673.00	213321.00	174520.00	187441.00	165437.00	183819.00	214421.00
2-(3'-Methylthio)propylmalic acid	95900.00	85421.00	107848.00	86755.00	119718.00	85532.00	98335.00	82200.00	98416.00	85584.00	104301.00	78318.00	100724.00	81744.00	108605.00	78308.00	82833.00	80654.00	79564.00	74869.00	97608.00	76267.00	139316.00	73063.00
Benzo[b]naphtho[2,1-d]thiophene	180709.00	194680.00	98483.00	101030.00	117276.00	118270.00	128085.00	131078.00	210089.00	214532.00	109838.00	106029.00	103909.00	113529.00	97716.00	91326.00	71446.00	78646.00	134330.00	132918.00	84538.00	85766.00	109091.00	101861.00
C26 H36 N2 O6	228931.00	232174.00	125829.00	128166.00	219478.00	211285.00	122192.00	103920.00	247149.00	243733.00	124697.00	124706.00	143692.00	145118.00	130283.00	135631.00	188058.00	187715.00	113435.00	112440.00	144572.00	142458.00	114870.00	101103.00
C11 H18 N11 O2	151065.00	152563.00	118682.00	118519.00	140481.00	137855.00	170197.00	177447.00	8802.00	9951.00	96295.00	91248.00	140847.00	133798.00	162221.00	170661.00	190799.00	180874.00	189238.00	193912.00	175082.00	159552.00	136840.00	133478.00
(R)-(+)-2-Pyrrolidone-5-carboxylic acid Esi+1.1289998 :1	210572.00	61604.00	147356.00	132715.00	141069.00	609363.00	518860.00	112844.00	50538.00	14871.00	89252.00	370848.00	143714.00	152402.00	172841.00	705570.00	897659.00	310042.00	112189.00	126610.00	636652.00	504133.00	112559.00	106511.00
8-hydroxy caprylic acid	354920.00	372868.00	244039.00	235370.00	314567.00	306244.00	262058.00	304101.00	285948.00	272467.00	275162.00	270956.00	365768.00	334736.00	248979.00	326297.00	281256.00	310038.00	395037.00	401606.00	239027.00	248048.00	235031.00	270256.00
C10 H22 O3	177890.00	180927.00	128508.00	135668.00	115313.00	123181.00	136923.00	133866.00	183269.00	192064.00	166538.00	176531.00	89729.00	103024.00	104793.00	100217.00	109394.00	93866.00	70956.00	92847.00	115700.00	112888.00	137802.00	137707.00
Furafylline	131372.00	126878.00	76465.00	80930.00	54230.00	51298.00	100885.00	102449.00	125595.00	127008.00	45580.00	53412.00	84341.00	83376.00	215423.00	212571.00	93427.00	96534.00	138936.00	146589.00	199381.00	215771.00	167856.00	172127.00
C6 N O2 S3	49202.00	46701.00	39496.00	41757.00	53440.00	55226.00	48910.00	50849.00	20075.00	22238.00	48344.00	53464.00	49677.00	50837.00	234966.00	224050.00	52347.00	46799.00	85407.00	88807.00	50463.00	49601.00	52373.00	53845.00
C20 H43 N4 O2	235725.00	184491.00	168563.00	197683.00	192521.00	149732.00	160106.00	186449.00	209695.00	176231.00	204634.00	181714.00	169556.00	222036.00	160037.00	163683.00	175659.00	160351.00	143769.00	161900.00	255459.00	181444.00	150461.00	201453.00
Desflurane Esi+1.5909997	62764.00	103841.00	126569.00	85669.00	59606.00	111365.00	90953.00	80471.00	149425.00	83595.00	68304.00	141756.00	155786.00	67043.00	76596.00	81906.00	74607.00	120039.00	82827.00	72580.00	124176.00	60017.00	101477.00	69526.00
Madecassic Acid	147198.00	130535.00	140179.00	134483.00	129720.00	137550.00	134728.00	131466.00	125071.00	146865.00	135336.00	124111.00	144801.00	127890.00	124593.00	133188.00	124937.00	123667.00	126455.00	121908.00	136112.00	116983.00	125455.00	123940.00
Chamuvaritin Esi+9.9559965	194738.00	195242.00	124694.00	122252.00	185653.00	174243.00	95584.00	97791.00	202200.00	194533.00	107263.00	106891.00	124309.00	120761.00	124588.00	123236.00	154810.00	144631.00	98124.00	94889.00	120669.00	116838.00	89137.00	90703.00
Irbesartan	228750.00	232938.00	228829.00	229609.00	249480.00	258312.00	208990.00	236135.00	261335.00	245897.00	227354.00	257157.00	222167.00	235758.00	226823.00	232701.00	252544.00	240202.00	231697.00	210340.00	235433.00	216268.00	214458.00	203728.00
5-Hydroxyectoine	104525.00	92440.00	41329.00	39475.00	61140.00	62789.00	60510.00	64500.00	201726.00	196159.00	42811.00	53777.00	67887.00	65179.00	54004.00	53225.00	46900.00	58231.00	67889.00	56750.00	37954.00	31859.00	57115.00	66602.00
C32 H65 N O9	43766.00	54431.00	65580.00	59845.00	86256.00	56514.00	55828.00	69569.00	78046.00	50491.00	89179.00	82698.00	233353.00	232330.00	55684.00	78716.00	82972.00	64531.00	55738.00	70022.00	60260.00	49894.00	62550.00	58027.00
C16 H Cl3 O8 S5	190315.00	201401.00	190793.00	196967.00	201941.00	201055.00	198067.00	196538.00	6634.00	8109.00	191737.00	191761.00	196727.00	190523.00	177536.00	183439.00	175296.00	176454.00	186986.00	178990.00	188207.00	187193.00	136238.00	131223.00
C19 H42 N3 O4	316612.00	309591.00	220299.00	208931.00	246239.00	254446.00	338627.00	176827.00	209921.00	322847.00	206517.00	218220.00	277234.00	103795.00	195410.00	74108.00	228709.00	241022.00	197149.00	194390.00	313397.00	188257.00	96380.00	94990.00
C6 H5 N2 O4 Esi+1.0039998	366612.00	373692.00	387155.00	396573.00	337681.00	335124.00	331197.00	328851.00	93260.00	95610.00	283039.00	293842.00	248631.00	261589.00	465270.00	457635.00	441852.00	437345.00	275219.00	270391.00	431964.00	454202.00	227362.00	235067.00
C45 H20 N7 O3	138583.00	138282.00	180364.00	144217.00	172263.00	136978.00	138426.00	135438.00	135962.00	136250.00	192991.00	136894.00	147536.00	130680.00	154356.00	129531.00	130658.00	125878.00	127990.00	126689.00	140807.00	128322.00	224949.00	122943.00
C10 H6 Cl2 N3 O4 S2	202828.00	200084.00	202506.00	209329.00	204596.00	211021.00	210383.00	196508.00	23490.00	21861.00	206611.00	204375.00	200543.00	190783.00	182377.00	191858.00	195041.00	191969.00	198928.00	189453.00	198689.00	196451.00	158865.00	159870.00
C10 H15 N6 O6	213794.00	216523.00	157478.00	156544.00	165991.00	169508.00	147266.00	157208.00	5775.00	1.00	128637.00	126091.00	160188.00	155429.00	167423.00	182974.00	172246.00	172497.00	131485.00	131132.00	169366.00	177173.00	72289.00	76730.00
C22 H47 N4 O2	178645.00	193012.00	113532.00	111629.00	122207.00	117592.00	115422.00	89765.00	130743.00	130604.00	180546.00	133427.00	113648.00	99421.00	107102.00	129424.00	101419.00	123640.00	119481.00	136690.00	115077.00	104417.00	199625.00	198017.00
Meradimate Esi+9.984999	93009.00	100887.00	117019.00	103270.00	102415.00	93710.00	113214.00	105137.00	96930.00	103287.00	100462.00	106992.00	105964.00	105052.00	119357.00	132285.00	109808.00	111510.00	102905.00	118366.00	98689.00	112704.00	111687.00	99715.00
Penicillamine	241457.00	247875.00	250408.00	261334.00	240926.00	244010.00	150158.00	150504.00	25774.00	25652.00	208267.00	207696.00	206759.00	188677.00	290174.00	293645.00	223749.00	228704.00	210007.00	212637.00	255775.00	251515.00	127544.00	125950.00
C15 H2 Cl2 N5 O2 S5	207168.00	203713.00	204546.00	182347.00	199925.00	199140.00	195580.00	202754.00	15602.00	17385.00	198117.00	191059.00	198712.00	186288.00	171166.00	178214.00	177829.00	176929.00	191180.00	206077.00	181681.00	181001.00	148307.00	147504.00
Pimpinellin	195703.00	203072.00	126762.00	123373.00	171901.00	179016.00	168010.00	169328.00	25545.00	24351.00	142175.00	145410.00	138977.00	132658.00	103496.00	98529.00	115910.00	122870.00	154130.00	154673.00	121767.00	117517.00	110436.00	107104.00
HBA	198611.00	250040.00	176682.00	174376.00	186172.00	141443.00	142230.00	155937.00	27850.00	25743.00	186120.00	167037.00	156318.00	117788.00	174819.00	158863.00	169956.00	242349.00	84333.00	159173.00	126050.00	126905.00	128965.00	119209.00
C24 H38 N7 O	232292.00	244900.00	221139.00	214586.00	217880.00	236487.00	263368.00	218633.00	253639.00	174918.00	211374.00	571466.00	227892.00	212272.00	222793.00	237903.00	204993.00	250086.00	223511.00	234120.00	220035.00	226880.00	230323.00	202177.00
?-D-Glucose Esi+0.8910002	16500000.00	16600000.00	13300000.00	13500000.00	14500000.00	14500000.00	14200000.00	14300000.00	1097793.00	1053878.00	12500000.00	12500000.00	13200000.00	12800000.00	15900000.00	16300000.00	16100000.00	16000000.00	12400000.00	12500000.00	15500000.00	15200000.00	9167356.00	9154221.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate Esi+10.240998 :1	1772309.00	1744068.00	1200272.00	1239018.00	1670035.00	1707507.00	1109358.00	1109625.00	2098831.00	1976862.00	1013978.00	1065768.00	1248953.00	1289427.00	1193827.00	1220933.00	1606277.00	1590196.00	1035936.00	999369.00	1337357.00	1402787.00	1030227.00	1040308.00
5-Fluorouridine monophosphate	142460.00	135376.00	102669.00	97782.00	155010.00	156564.00	87430.00	89815.00	144048.00	144200.00	188529.00	187585.00	134264.00	133194.00	129585.00	136358.00	85926.00	86996.00	54713.00	60427.00	94746.00	91925.00	65030.00	60847.00
l-2-hydroxy-decanoic acid Esi+4.735	156237.00	136136.00	46282.00	20825.00	53890.00	86726.00	34522.00	37166.00	94040.00	68511.00	76714.00	76235.00	98893.00	75008.00	15790.00	18906.00	58443.00	73056.00	182943.00	200689.00	9826.00	1.00	32229.00	39533.00
C34 H50 N5 O5	188981.00	194389.00	199302.00	193860.00	192877.00	191619.00	202446.00	204206.00	188460.00	184442.00	186691.00	193672.00	194629.00	195878.00	195606.00	193657.00	181910.00	199010.00	173525.00	176453.00	190622.00	186335.00	183764.00	184525.00
N-methylundec-10-enamide	168224.00	178995.00	138383.00	133522.00	146838.00	138116.00	149395.00	156952.00	152260.00	149190.00	161083.00	164498.00	121580.00	119476.00	133411.00	125685.00	109737.00	115719.00	139242.00	141313.00	143924.00	134809.00	123865.00	137280.00
C23 H22 N5 O2 S2	140399.00	131972.00	167411.00	129207.00	166344.00	128579.00	147131.00	126765.00	145286.00	126000.00	157432.00	117962.00	145052.00	125284.00	160349.00	121434.00	140410.00	117484.00	127146.00	118867.00	153267.00	110017.00	194931.00	108074.00
C38 H77 N8 O9	200839.00	198783.00	220010.00	214691.00	201873.00	229197.00	228280.00	223094.00	220817.00	232457.00	212421.00	209808.00	213732.00	165309.00	216929.00	210324.00	209334.00	151622.00	183233.00	215814.00	198448.00	206152.00	187990.00	173883.00
C17 H Cl3 N O7 S5	179413.00	177726.00	173262.00	171667.00	176865.00	183905.00	189118.00	188210.00	12945.00	11506.00	184751.00	176533.00	168583.00	168133.00	156619.00	158366.00	162329.00	155425.00	166618.00	178760.00	168478.00	161995.00	133487.00	137249.00
4-Hydroxycinnamic acid	190140.00	182145.00	163079.00	156243.00	150134.00	144051.00	130413.00	127611.00	61960.00	60831.00	129230.00	141359.00	167256.00	153098.00	186276.00	182206.00	157798.00	152941.00	142796.00	165849.00	130599.00	112443.00	137077.00	133688.00
L-isoleucyl-L-proline Esi+1.254	133620.00	128732.00	81593.00	75489.00	77759.00	67104.00	110305.00	95784.00	20789.00	24595.00	66745.00	91079.00	71661.00	62338.00	208162.00	218133.00	137781.00	139216.00	114951.00	103948.00	89068.00	87756.00	63024.00	59127.00
C14 H14 N4 Esi+8.22	287552.00	281293.00	175073.00	177852.00	220455.00	217005.00	235341.00	247572.00	221876.00	227301.00	340946.00	345958.00	189635.00	179837.00	212490.00	219945.00	183860.00	186444.00	211273.00	197008.00	224925.00	220529.00	179976.00	179460.00
3-Aminobenzamide	209524.00	202851.00	94444.00	91405.00	118630.00	110867.00	37586.00	42231.00	1.00	10716.00	93587.00	103778.00	122089.00	110854.00	127618.00	113679.00	118759.00	134671.00	110428.00	115402.00	63268.00	63848.00	81813.00	78781.00
Tuberonic acid	200400.00	172727.00	202197.00	215438.00	160241.00	215533.00	179196.00	213020.00	187939.00	194304.00	159693.00	163698.00	191178.00	182527.00	192855.00	191404.00	200447.00	197551.00	173334.00	181727.00	186580.00	173367.00	193515.00	186373.00
ICI 164384	145790.00	148609.00	92103.00	123408.00	160087.00	203090.00	85186.00	395652.00	193608.00	192695.00	134420.00	105435.00	96213.00	111019.00	109243.00	106777.00	161673.00	201481.00	99875.00	87395.00	112474.00	124891.00	97828.00	100255.00
2-Amino-2-methyl-1-propanol	96926.00	94180.00	86785.00	84320.00	73015.00	74357.00	79989.00	86888.00	214261.00	228223.00	90957.00	80280.00	62769.00	78276.00	82924.00	83754.00	84170.00	75795.00	52537.00	56900.00	50079.00	54084.00	54068.00	44669.00
C31 H57 N15	287829.00	305048.00	307083.00	294832.00	227813.00	222068.00	229779.00	270933.00	250740.00	276892.00	259333.00	222409.00	251169.00	239433.00	264895.00	236271.00	221700.00	288053.00	218916.00	276504.00	246800.00	266429.00	238992.00	203131.00
C11 H8 N3 O7 S	156318.00	162580.00	165815.00	164228.00	160400.00	157535.00	143121.00	147098.00	1.00	1.00	184636.00	193640.00	125018.00	140411.00	128968.00	126967.00	120255.00	131452.00	151963.00	155934.00	142381.00	141923.00	87163.00	83782.00
(S)-2-Hydroxyglutarate	75556.00	67842.00	84792.00	67974.00	94851.00	68256.00	74092.00	65698.00	77682.00	66173.00	88292.00	64717.00	72199.00	64669.00	82600.00	67345.00	67300.00	57829.00	68629.00	57444.00	74989.00	63485.00	102035.00	54838.00
C20 H49 N15 O3	65820.00	61243.00	56492.00	61665.00	56861.00	45259.00	58816.00	51563.00	53581.00	45666.00	52258.00	64754.00	64522.00	59486.00	60630.00	53083.00	48551.00	58646.00	60734.00	49248.00	57478.00	63607.00	69033.00	52455.00
Prosopinine Esi+9.877001	158457.00	157555.00	166547.00	150615.00	153741.00	145304.00	143196.00	152559.00	153851.00	151362.00	152877.00	149455.00	160277.00	148735.00	137887.00	145752.00	161277.00	157015.00	145297.00	151446.00	141481.00	146544.00	161937.00	167888.00
Miraxanthin-I	97687.00	93876.00	138950.00	133230.00	119414.00	117870.00	89577.00	94199.00	1.00	1.00	169796.00	176442.00	92524.00	90476.00	109462.00	100755.00	127077.00	133129.00	93314.00	93831.00	130662.00	130585.00	59658.00	59823.00
C8 H2 Cl2 N2 O5 S4	190137.00	185773.00	185817.00	189978.00	185191.00	192409.00	191014.00	188250.00	12054.00	8217.00	188783.00	196604.00	185181.00	195176.00	183812.00	185664.00	187029.00	183046.00	182322.00	181713.00	184583.00	181048.00	145481.00	143638.00
Clavamycin D	108932.00	106028.00	75743.00	72647.00	106273.00	105897.00	102385.00	105657.00	12448.00	13151.00	71797.00	69776.00	101485.00	93792.00	128209.00	122609.00	156525.00	160657.00	143346.00	149736.00	168436.00	163573.00	183811.00	172991.00
L-glycyl-L-hydroxyproline	717004.00	687820.00	321993.00	332232.00	403180.00	402378.00	339336.00	341278.00	1.00	1.00	340414.00	338211.00	360055.00	350753.00	960689.00	1014411.00	640858.00	711460.00	391614.00	393278.00	708247.00	718957.00	217136.00	209307.00
C11 H5 Cl3 N2 O S4	176093.00	180392.00	162380.00	162517.00	187388.00	178987.00	179939.00	188149.00	21265.00	22560.00	179269.00	175705.00	170702.00	174823.00	151376.00	162930.00	154716.00	154812.00	175642.00	182902.00	157640.00	163778.00	139937.00	141740.00
Tetranor-PGF1alpha	93517.00	120157.00	171400.00	189815.00	82719.00	83362.00	115281.00	49382.00	51757.00	76287.00	87744.00	67466.00	71802.00	43071.00	67608.00	47933.00	113487.00	130175.00	64842.00	35919.00	147190.00	119404.00	47796.00	70255.00
C7 H2 O11 S	202808.00	203617.00	202605.00	202832.00	198826.00	194495.00	200692.00	189061.00	47842.00	47558.00	191546.00	184067.00	181303.00	180872.00	166492.00	168149.00	165009.00	164560.00	188679.00	190446.00	168930.00	169476.00	159394.00	160700.00
D-Glucosyldihydrosphingosine	183688.00	174334.00	176888.00	167215.00	192307.00	211687.00	175856.00	169494.00	206760.00	185889.00	172380.00	176973.00	163417.00	162730.00	180386.00	171791.00	139353.00	136437.00	136250.00	140606.00	155003.00	140219.00	147177.00	135226.00
C31 H48 N O S	195869.00	203294.00	161013.00	150324.00	159908.00	189164.00	188002.00	202724.00	188651.00	190162.00	136344.00	171886.00	223496.00	174202.00	194265.00	152801.00	213338.00	142454.00	259374.00	175734.00	175125.00	168861.00	196472.00	145403.00
Bis(chloromethyl) ether	24164.00	22297.00	11117.00	12682.00	28056.00	28106.00	27626.00	20275.00	15021.00	16595.00	22396.00	22336.00	21578.00	21006.00	194056.00	188340.00	19916.00	23330.00	56975.00	55314.00	18803.00	20625.00	33992.00	25833.00
C12 H26 O3 Esi+10.979999	99893.00	100071.00	71344.00	73210.00	51872.00	52368.00	56099.00	60428.00	82268.00	85353.00	160772.00	163776.00	70097.00	76213.00	68693.00	66825.00	73840.00	80843.00	29120.00	35826.00	135658.00	135309.00	61152.00	62201.00
C21 Cl2 N O5 S2	188282.00	181536.00	179888.00	173645.00	187657.00	185229.00	183495.00	185856.00	16296.00	16654.00	183369.00	183265.00	174527.00	174092.00	157187.00	166320.00	171626.00	160452.00	178680.00	179648.00	165729.00	167638.00	150117.00	141571.00
Endothal Esi+1.1119996	244586.00	243947.00	219003.00	216454.00	250637.00	233454.00	242762.00	244494.00	48450.00	49307.00	229350.00	224606.00	191259.00	200061.00	242623.00	249772.00	244925.00	240189.00	170735.00	175876.00	306006.00	308411.00	151152.00	174745.00
C8 H6 Cl2 N2 O10 S2	183884.00	177452.00	177334.00	167385.00	178557.00	171887.00	181906.00	168763.00	18732.00	18727.00	176701.00	171875.00	168893.00	162500.00	159907.00	148722.00	162753.00	161415.00	173381.00	167509.00	163259.00	163206.00	135305.00	131748.00
C24 H45 N O5	173066.00	167356.00	169053.00	168927.00	155016.00	199118.00	175885.00	169962.00	187664.00	162556.00	199157.00	162676.00	161491.00	143100.00	174118.00	173196.00	165948.00	558636.00	156367.00	162970.00	575786.00	445170.00	142029.00	622589.00
C14 O16 S2	174725.00	187585.00	177301.00	175053.00	173886.00	169402.00	173524.00	175119.00	27102.00	24297.00	175244.00	171438.00	170667.00	164609.00	151023.00	159188.00	154623.00	151796.00	171389.00	177185.00	158467.00	157085.00	142470.00	144854.00
C7 H12 N2	415191.00	425611.00	456765.00	481552.00	440981.00	487705.00	405968.00	418872.00	441286.00	393782.00	393830.00	408183.00	463612.00	223368.00	476153.00	304129.00	369934.00	221033.00	377883.00	201127.00	392926.00	242663.00	348919.00	365739.00
Furfural diethyl acetal	135651.00	127682.00	171961.00	171955.00	112262.00	112624.00	121262.00	120659.00	79788.00	83807.00	93676.00	94024.00	83635.00	86099.00	101141.00	107057.00	132613.00	138619.00	96870.00	108075.00	146474.00	152413.00	126434.00	133448.00
C27 H51 N8 O2	209639.00	176148.00	205687.00	176331.00	186164.00	193196.00	217042.00	176973.00	159292.00	194366.00	167158.00	196083.00	226637.00	229465.00	196185.00	207386.00	190188.00	190210.00	185841.00	210467.00	173409.00	229509.00	180060.00	149445.00
8-hydroxy caprylic acid Esi+4.14	355129.00	365467.00	248546.00	239244.00	304316.00	297817.00	262257.00	302950.00	263448.00	268957.00	283854.00	268774.00	366490.00	328317.00	249876.00	293484.00	280973.00	313752.00	398251.00	397410.00	233493.00	248429.00	234712.00	270042.00
C6 H3 Cl3 O7 S5	170733.00	164525.00	181949.00	183043.00	170904.00	174963.00	180366.00	171802.00	1.00	5442.00	170226.00	175166.00	172562.00	177631.00	165887.00	177241.00	170304.00	175546.00	160859.00	163859.00	164624.00	166526.00	120365.00	120069.00
C10 H22 O4	163266.00	163077.00	145144.00	132489.00	156430.00	170997.00	159868.00	169652.00	157566.00	147721.00	161552.00	152600.00	146151.00	123378.00	153603.00	167731.00	157137.00	162238.00	140293.00	147818.00	139538.00	152179.00	150699.00	137936.00
C6 H6 Cl2 N O6 S3	190840.00	190864.00	182710.00	181096.00	190202.00	188660.00	187072.00	175024.00	29405.00	27863.00	180115.00	172053.00	175276.00	169545.00	160029.00	161132.00	154079.00	156310.00	183103.00	177772.00	166456.00	170510.00	139247.00	152364.00
C20 H34 N7	219576.00	210749.00	167140.00	162044.00	214008.00	205303.00	149757.00	142856.00	196746.00	196044.00	139308.00	150024.00	181497.00	165192.00	168007.00	165651.00	176893.00	180186.00	187985.00	165915.00	198468.00	183648.00	274800.00	274252.00
C24 H39 N8 O	224054.00	182604.00	208917.00	109927.00	206436.00	220229.00	199669.00	184621.00	197228.00	187233.00	91394.00	176909.00	174529.00	196277.00	120312.00	207712.00	95279.00	123363.00	105992.00	191026.00	217369.00	192642.00	156280.00	159985.00
cyclohexylammonium	29609.00	48962.00	57864.00	37958.00	50063.00	30792.00	47954.00	43835.00	37522.00	28632.00	181296.00	178378.00	55997.00	47704.00	65115.00	57384.00	70101.00	51957.00	74450.00	66172.00	61164.00	56962.00	44428.00	42882.00
L-Histidine	200573.00	198540.00	193067.00	198528.00	160077.00	167662.00	150695.00	153830.00	128564.00	123743.00	119095.00	115533.00	181341.00	177094.00	200004.00	191869.00	182302.00	178235.00	174299.00	170172.00	172408.00	168754.00	172719.00	162210.00
Conchosin B	62134.00	71512.00	60575.00	60437.00	86838.00	95599.00	45317.00	46374.00	166084.00	179534.00	68480.00	68908.00	89111.00	90889.00	81910.00	88476.00	121062.00	148776.00	84495.00	87559.00	129530.00	123604.00	104326.00	103673.00
C16 H39 N8 O11 S	135868.00	132641.00	117974.00	116459.00	138036.00	130844.00	122047.00	120199.00	138719.00	150240.00	123691.00	121520.00	118026.00	118859.00	135625.00	117737.00	125492.00	122109.00	106535.00	113987.00	126918.00	125824.00	165532.00	156862.00
Val Val	165143.00	173966.00	93804.00	88760.00	148429.00	143477.00	120980.00	128315.00	55252.00	57910.00	150099.00	146058.00	121008.00	126265.00	32735.00	35418.00	54360.00	49529.00	25557.00	26014.00	1.00	1.00	21992.00	18556.00
L-Norleucine	110584.00	188701.00	153219.00	127100.00	144626.00	157728.00	171176.00	168530.00	156002.00	171759.00	194250.00	173145.00	166700.00	160607.00	163131.00	142062.00	140899.00	158046.00	177490.00	94645.00	131205.00	152505.00	159356.00	166561.00
C15 H2 N3 O	161272.00	163726.00	108087.00	116656.00	136541.00	134326.00	135062.00	131656.00	1.00	1.00	116000.00	115583.00	119669.00	111527.00	128027.00	132012.00	128630.00	126597.00	107496.00	108172.00	123423.00	131479.00	77379.00	69590.00
C6 H4 N2 O9	166978.00	155537.00	172506.00	168399.00	173321.00	177992.00	150501.00	151365.00	11582.00	9216.00	182279.00	178724.00	154488.00	154945.00	160197.00	164299.00	169017.00	165583.00	150371.00	146391.00	162198.00	173957.00	110348.00	101154.00
C16 H34 N2 O2	140316.00	140055.00	143244.00	142935.00	143700.00	134963.00	136040.00	134604.00	142944.00	148853.00	157283.00	160461.00	146433.00	135977.00	158340.00	153728.00	145634.00	140534.00	127537.00	135187.00	123064.00	129919.00	127414.00	134813.00
Proline Esi+2.1770008	113557.00	117215.00	167621.00	161969.00	139880.00	147055.00	64900.00	69902.00	1.00	1.00	142638.00	146384.00	103587.00	93187.00	235096.00	239349.00	128732.00	126295.00	129184.00	139827.00	229636.00	188814.00	72829.00	70806.00
Aminohydroxybutyric Acid	152878.00	140181.00	164986.00	152155.00	113284.00	117502.00	113172.00	117318.00	80492.00	83327.00	125379.00	137833.00	125558.00	130559.00	208422.00	221090.00	165793.00	161879.00	91523.00	104102.00	162495.00	169921.00	116053.00	117340.00
C4 H3 N2 S	105502.00	103345.00	144800.00	143202.00	170302.00	175192.00	153719.00	148682.00	22729.00	20598.00	146613.00	150375.00	156589.00	151839.00	168801.00	157716.00	172229.00	175191.00	149237.00	145503.00	151038.00	146100.00	109917.00	102435.00
C8 H5 Cl3 O6 S5	151280.00	153878.00	173997.00	161745.00	165036.00	164785.00	158144.00	173532.00	6169.00	7310.00	165936.00	160436.00	147321.00	151569.00	156108.00	155119.00	147470.00	157455.00	149283.00	152833.00	151463.00	156313.00	118973.00	118483.00
C37 H59 N2 S	130653.00	113980.00	110874.00	134011.00	97674.00	127446.00	125150.00	112908.00	111823.00	108771.00	119287.00	111729.00	204192.00	209678.00	118849.00	118155.00	122191.00	94214.00	111763.00	135818.00	100850.00	108519.00	106619.00	110718.00
Capillartemisin B	156804.00	149466.00	146716.00	141131.00	139672.00	142436.00	145460.00	151118.00	148686.00	146731.00	141602.00	144837.00	138695.00	136781.00	138555.00	140917.00	140413.00	134807.00	125218.00	131976.00	127134.00	120892.00	134150.00	135223.00
5-Hydroxyisourate	145856.00	143412.00	142331.00	121645.00	119772.00	126436.00	133794.00	95502.00	61313.00	56059.00	167520.00	125720.00	101893.00	113229.00	161368.00	133351.00	105456.00	116535.00	112134.00	154065.00	126303.00	116185.00	107085.00	128089.00
C11 H2 N3 O7 S	172766.00	171299.00	131762.00	136847.00	150303.00	160849.00	154683.00	147812.00	1.00	1.00	132846.00	135554.00	140563.00	131224.00	142878.00	143809.00	147551.00	139588.00	122630.00	130070.00	136287.00	144392.00	72669.00	76617.00
C-8 Ceramide	151350.00	144243.00	80579.00	83603.00	73390.00	84342.00	106246.00	90274.00	84484.00	116995.00	168970.00	117098.00	78924.00	63869.00	85910.00	79275.00	74919.00	74403.00	97282.00	110368.00	79204.00	74823.00	179221.00	185644.00
C31 H69 N4 O10	211851.00	233724.00	142937.00	150629.00	262899.00	247081.00	130372.00	207741.00	288039.00	293355.00	153663.00	138448.00	191842.00	164141.00	199665.00	179163.00	267440.00	224307.00	148944.00	133879.00	189106.00	203343.00	147537.00	142055.00
C10 H16 N3 O6 S	71948.00	66771.00	13828.00	11525.00	12184.00	13242.00	10734.00	10078.00	95167.00	99679.00	7704.00	7084.00	12521.00	13396.00	18677.00	21292.00	12307.00	12879.00	14729.00	12604.00	9473.00	9897.00	1.00	1.00
(S)-2-Hydroxyglutarate Esi+11.881001	90690.00	77518.00	88879.00	68412.00	90874.00	77492.00	84629.00	76632.00	82391.00	72524.00	78497.00	72427.00	79000.00	74728.00	80617.00	74863.00	76915.00	65715.00	80752.00	67567.00	80168.00	63377.00	83898.00	69584.00
5-Hydroxy-7-methoxy-4'-prenyloxyflavanone	53192.00	42348.00	76141.00	77874.00	60812.00	61868.00	65669.00	63986.00	1.00	1.00	1.00	174166.00	50860.00	49256.00	198088.00	203698.00	115663.00	117735.00	39543.00	42432.00	128246.00	135056.00	25263.00	24034.00
Leucopterin	162178.00	156605.00	103634.00	104915.00	103642.00	106484.00	114908.00	111721.00	171725.00	163456.00	97407.00	102564.00	98025.00	98480.00	101111.00	104495.00	87233.00	87871.00	101921.00	105529.00	86422.00	86474.00	91071.00	93812.00
Arg-OEt	184389.00	173566.00	141683.00	141675.00	161396.00	170064.00	143882.00	142774.00	26728.00	26590.00	119317.00	131468.00	143976.00	152604.00	142793.00	143941.00	129960.00	134605.00	137337.00	140321.00	124662.00	119326.00	106111.00	105401.00
Canavaninosuccinate	156381.00	154587.00	142392.00	140803.00	154716.00	148042.00	139867.00	145116.00	149786.00	150677.00	138587.00	159481.00	148708.00	140434.00	150869.00	147856.00	144822.00	151066.00	135753.00	146519.00	140308.00	140997.00	150722.00	134526.00
C13 Cl2 N O13 S4	266456.00	267560.00	266600.00	278795.00	282840.00	275441.00	278501.00	276548.00	11674.00	10608.00	277790.00	275562.00	267210.00	260676.00	253934.00	262497.00	268165.00	260243.00	260118.00	261038.00	263524.00	260769.00	202593.00	200840.00
17-phenyl trinor Prostaglandin E2 serinol amide	115380.00	113449.00	69669.00	66356.00	95724.00	100973.00	169179.00	172811.00	104845.00	107622.00	71344.00	69768.00	103755.00	102409.00	81206.00	82106.00	115427.00	113175.00	74216.00	80477.00	108723.00	112599.00	106064.00	108019.00
C5 H4 N6 S	59289.00	63592.00	45373.00	50260.00	66105.00	66294.00	70389.00	62014.00	48388.00	51429.00	54565.00	54882.00	59341.00	59155.00	158855.00	166006.00	65119.00	53789.00	90372.00	91269.00	54894.00	53628.00	63051.00	68601.00
1,4-Dioxane	19188.00	8124.00	31007.00	38795.00	73808.00	70885.00	21629.00	17109.00	9057.00	7364.00	177864.00	180412.00	112928.00	115480.00	1.00	1.00	7179.00	1.00	1.00	1.00	116275.00	121776.00	40354.00	38700.00
Resolvin D4	162956.00	163634.00	166423.00	141825.00	161225.00	152751.00	157186.00	158184.00	152340.00	153234.00	143134.00	143444.00	144264.00	156926.00	153437.00	149434.00	145171.00	150191.00	149425.00	153522.00	141281.00	150503.00	142201.00	136487.00
Nalpha-Methylhistidine	212849.00	202589.00	198092.00	177906.00	182991.00	175358.00	157742.00	145903.00	87037.00	82318.00	156496.00	148963.00	186621.00	178583.00	145996.00	156411.00	128551.00	143643.00	162228.00	143649.00	125118.00	132339.00	130648.00	138196.00
C15 H19 N3 O9	32272.00	28681.00	143316.00	139235.00	122855.00	129809.00	147306.00	144713.00	1.00	1.00	127653.00	129840.00	93898.00	96858.00	37220.00	36441.00	95225.00	92166.00	131356.00	122798.00	68104.00	68891.00	106826.00	101248.00
C11 H9 N9 O5	162942.00	160830.00	91405.00	90330.00	78351.00	79788.00	61982.00	67998.00	26455.00	22841.00	59936.00	58568.00	79586.00	79602.00	87208.00	91509.00	83318.00	80071.00	101849.00	98780.00	56013.00	57372.00	41661.00	45108.00
C13 H4 O6 S5	161723.00	156683.00	132911.00	129385.00	152787.00	147533.00	147744.00	146658.00	25401.00	27290.00	149938.00	143584.00	148633.00	141430.00	129492.00	127433.00	123005.00	119876.00	142954.00	152276.00	118700.00	129488.00	107305.00	117682.00
C25 H43 N8 O	218154.00	164792.00	151268.00	155672.00	153723.00	161597.00	167639.00	157760.00	201466.00	152839.00	167749.00	156510.00	196846.00	151784.00	152155.00	150801.00	152145.00	153750.00	161199.00	181541.00	157969.00	156425.00	149730.00	159523.00
C12 H4 O3 S5	163073.00	167986.00	143393.00	139621.00	161214.00	165829.00	155684.00	157454.00	30122.00	26667.00	154712.00	148428.00	155610.00	157647.00	129943.00	131869.00	132177.00	136940.00	150503.00	157387.00	141172.00	142244.00	121736.00	126263.00
decanamide	99944.00	99463.00	71539.00	72804.00	162385.00	162682.00	103445.00	93278.00	61797.00	51020.00	90730.00	90356.00	34871.00	40724.00	96187.00	95999.00	94569.00	94047.00	103131.00	107343.00	62778.00	63238.00	58945.00	60843.00
C14 H32 N3 O3	191565.00	115988.00	137932.00	188161.00	185880.00	222665.00	134588.00	137111.00	185612.00	164637.00	134933.00	186363.00	186635.00	262901.00	111835.00	217533.00	179889.00	183781.00	137121.00	230765.00	133788.00	127294.00	181444.00	90782.00
C9 H16 N2 O2	110503.00	99395.00	80830.00	88359.00	85893.00	86102.00	72943.00	76468.00	17404.00	19362.00	82012.00	73568.00	80231.00	80063.00	82989.00	90848.00	82098.00	77729.00	66799.00	73171.00	78947.00	80826.00	43428.00	39086.00
C20 H51 N23	179142.00	179826.00	110993.00	133786.00	210999.00	198443.00	93681.00	86259.00	265011.00	235066.00	99393.00	90339.00	121650.00	128498.00	139612.00	158626.00	205680.00	232052.00	92777.00	93160.00	135310.00	127651.00	99451.00	106844.00
4-PIOL	83930.00	73735.00	95374.00	99011.00	93414.00	93419.00	49553.00	47945.00	15801.00	1.00	93586.00	95868.00	74772.00	75470.00	139990.00	142506.00	79329.00	78654.00	97325.00	98653.00	166032.00	164670.00	61460.00	63438.00
Mycosporine	117085.00	116185.00	57350.00	62353.00	74065.00	69139.00	77083.00	74371.00	9616.00	8692.00	55105.00	56021.00	65289.00	60438.00	151163.00	153170.00	104733.00	112028.00	85364.00	81003.00	89674.00	84476.00	67600.00	69805.00
C21 H45 N	153073.00	180916.00	145616.00	139746.00	149550.00	136953.00	139455.00	139684.00	144405.00	152633.00	137941.00	132049.00	162663.00	139013.00	137736.00	149377.00	144393.00	139809.00	148277.00	154734.00	136837.00	149328.00	147879.00	145379.00
C13 H20 N4 O	71394.00	28212.00	31649.00	105984.00	267253.00	255793.00	296236.00	306890.00	134052.00	140226.00	98574.00	98937.00	214183.00	64548.00	194975.00	322253.00	110206.00	100508.00	117046.00	101032.00	60362.00	70742.00	89600.00	85816.00
l-2-hydroxy-decanoic acid Esi+5.068	696881.00	618636.00	159290.00	125736.00	274879.00	363486.00	272627.00	277358.00	372799.00	365169.00	313920.00	229774.00	424831.00	418693.00	62268.00	62965.00	272615.00	271864.00	607829.00	626008.00	73122.00	75930.00	182862.00	149562.00
C3 H5 N5 O4	115004.00	110696.00	111987.00	105209.00	103190.00	102061.00	99278.00	94241.00	1.00	1.00	76684.00	86774.00	85376.00	81143.00	168989.00	175042.00	127840.00	140686.00	108110.00	108973.00	123899.00	126257.00	54144.00	53440.00
3-Hydroxy-1-indanone Esi+6.7680016	129155.00	126436.00	92319.00	96616.00	116468.00	121693.00	135998.00	139616.00	135036.00	127125.00	146408.00	143425.00	104007.00	108287.00	116252.00	111559.00	74441.00	63931.00	109994.00	114189.00	121675.00	112205.00	93983.00	94361.00
C27 H55 N8 O10	158915.00	155767.00	155913.00	147949.00	151501.00	147073.00	145997.00	147348.00	164763.00	154326.00	152199.00	144387.00	149755.00	151399.00	150074.00	152770.00	155720.00	158683.00	148836.00	152929.00	142412.00	141342.00	149923.00	146575.00
C22 H47 N	98712.00	108701.00	110798.00	110617.00	108883.00	105428.00	102405.00	102426.00	104984.00	115553.00	105208.00	100469.00	108559.00	92761.00	87300.00	106849.00	115979.00	99030.00	108569.00	107540.00	98387.00	99617.00	150437.00	142979.00
C7 H10 N2 O5 S5 Esi+0.8390001	279621.00	290669.00	279177.00	271386.00	276102.00	275912.00	291178.00	279308.00	65641.00	66793.00	265514.00	275851.00	272027.00	268192.00	245343.00	239246.00	250055.00	250485.00	265456.00	268457.00	262733.00	257587.00	247592.00	237626.00
C7 H13 N5 O6 S	147270.00	149449.00	58896.00	59795.00	51458.00	43560.00	45680.00	44334.00	95854.00	93246.00	34351.00	32340.00	58630.00	58071.00	71887.00	73410.00	65317.00	61889.00	67832.00	67928.00	39327.00	40298.00	37697.00	37489.00
C10 H3 Cl3 N O8 S5	140415.00	149033.00	143355.00	143951.00	150972.00	147246.00	147165.00	144949.00	1.00	6801.00	151501.00	143500.00	148806.00	152394.00	135121.00	134886.00	139755.00	138900.00	135352.00	142432.00	139800.00	139520.00	112092.00	105683.00
?-D-Glucose Esi+0.8910002 :1	3070368.00	3018640.00	2473347.00	2522482.00	2522749.00	2540548.00	2441391.00	2400565.00	131170.00	133818.00	1915745.00	1967757.00	2225079.00	2142546.00	3417877.00	3354702.00	3393777.00	3361770.00	1895854.00	1978706.00	2966083.00	2933001.00	1404889.00	1366647.00
C16 H2 Cl2 O13 S5	145254.00	146310.00	143784.00	143974.00	152756.00	150300.00	143810.00	151886.00	1.00	6285.00	147906.00	155840.00	140844.00	149737.00	140610.00	139850.00	139821.00	137204.00	146247.00	148751.00	140047.00	145672.00	117052.00	119317.00
C22 H33 N3 O18	78433.00	79298.00	50392.00	51706.00	85229.00	79503.00	43613.00	46009.00	166561.00	159364.00	93801.00	93165.00	104123.00	110333.00	88697.00	84640.00	63090.00	60319.00	35235.00	35752.00	40541.00	42172.00	53356.00	54474.00
Sulfaphenazole	100035.00	89370.00	94903.00	102320.00	103493.00	99466.00	106223.00	91053.00	108255.00	93400.00	96107.00	92623.00	92162.00	106435.00	98796.00	83820.00	84401.00	86273.00	84838.00	90097.00	96911.00	89193.00	100427.00	86703.00
N-oleoyl glutamine	239860.00	203287.00	191431.00	257413.00	98389.00	154326.00	156894.00	173243.00	137519.00	187177.00	136030.00	174802.00	167947.00	212885.00	186774.00	221837.00	237096.00	169312.00	130211.00	103028.00	235524.00	151515.00	158855.00	181654.00
C16 H36 N2 O S	126760.00	125871.00	131675.00	151752.00	116428.00	139507.00	95292.00	106066.00	121823.00	201292.00	125897.00	108283.00	114215.00	117347.00	127379.00	112597.00	135504.00	57626.00	123053.00	132648.00	118644.00	180110.00	104388.00	127701.00
4-oxo capric acid	100198.00	104076.00	23763.00	30189.00	41037.00	45586.00	36839.00	33964.00	64711.00	59421.00	39714.00	51994.00	70728.00	62738.00	251287.00	41477.00	39736.00	27953.00	147303.00	258062.00	27045.00	1.00	35239.00	43260.00
O-Desmethylquinidine glucuronide	178002.00	170404.00	171097.00	168939.00	164340.00	164813.00	172210.00	170378.00	165241.00	167190.00	165221.00	167804.00	175258.00	163280.00	171203.00	163368.00	170091.00	155600.00	164936.00	163902.00	168371.00	169593.00	167826.00	170485.00
Isobutyryl carnitine	89929.00	87299.00	37689.00	39242.00	46085.00	36486.00	32417.00	40559.00	43849.00	45098.00	35920.00	37688.00	31686.00	28871.00	143312.00	144320.00	48126.00	45582.00	68685.00	64219.00	53294.00	46104.00	32172.00	27351.00
C20 H41 N O	143327.00	141947.00	137794.00	148414.00	141960.00	150204.00	144247.00	142694.00	143883.00	133393.00	141335.00	141956.00	142431.00	135107.00	146412.00	142713.00	148191.00	138317.00	145456.00	130989.00	141625.00	137457.00	133655.00	144345.00
C9 H18 N2 O	83405.00	91185.00	56507.00	52347.00	28725.00	30748.00	55087.00	54483.00	54138.00	45596.00	127277.00	123545.00	76398.00	77941.00	75904.00	79204.00	83955.00	92871.00	26519.00	22234.00	152372.00	149690.00	44162.00	51429.00
C27 H47 N8 O2	157884.00	144115.00	169118.00	191166.00	181069.00	167952.00	138965.00	141200.00	137576.00	132657.00	435544.00	145348.00	413399.00	139632.00	144529.00	489779.00	137686.00	138335.00	148774.00	164683.00	143380.00	134659.00	118944.00	374882.00
N-oleoyl glutamic acid	207580.00	193970.00	231137.00	229229.00	218522.00	200460.00	213927.00	219911.00	200129.00	212988.00	183038.00	184445.00	209505.00	181136.00	179900.00	230071.00	208656.00	213630.00	186858.00	194041.00	219206.00	185391.00	209131.00	207909.00
C26 H49 N O S	242188.00	198463.00	175138.00	145259.00	196828.00	181460.00	144261.00	147741.00	171428.00	182945.00	170479.00	144118.00	115952.00	170348.00	128906.00	165598.00	176056.00	174745.00	130959.00	155463.00	128087.00	185000.00	157987.00	164528.00
O6-Methyl-2'-deoxyguanosine	113611.00	112014.00	132840.00	136292.00	116440.00	111700.00	134334.00	134523.00	10237.00	10027.00	120457.00	125127.00	127071.00	119668.00	111274.00	107543.00	110826.00	104302.00	117946.00	114551.00	106029.00	97143.00	98957.00	93471.00
C8 H12 N4 O2 S2	85030.00	80849.00	118217.00	131746.00	61619.00	57421.00	92148.00	84820.00	1.00	1.00	100489.00	97622.00	80051.00	50788.00	194353.00	183490.00	136772.00	137783.00	89753.00	100475.00	211488.00	245494.00	103073.00	61731.00
7-Aminocephalosporanic acid	141231.00	148937.00	95413.00	91345.00	139930.00	142429.00	140246.00	143254.00	26834.00	30002.00	118941.00	122245.00	102483.00	106882.00	74189.00	72022.00	91572.00	90016.00	115154.00	120831.00	104165.00	103138.00	93647.00	89381.00
C4 H2 Cl2 N O7 S	154939.00	156194.00	76816.00	64251.00	131989.00	138014.00	146754.00	137860.00	72893.00	73240.00	116094.00	120204.00	122049.00	122123.00	56997.00	50634.00	60679.00	58296.00	126833.00	124102.00	76356.00	71417.00	108785.00	98192.00
C7 H5 N2 O7	237851.00	237613.00	21748.00	28035.00	99458.00	96278.00	98862.00	98674.00	99180.00	110810.00	87294.00	91533.00	92696.00	98423.00	17707.00	38241.00	24820.00	18726.00	46706.00	50623.00	14898.00	13612.00	37559.00	28720.00
Strictosidine aglycone	111603.00	115905.00	93996.00	85952.00	111814.00	107055.00	82710.00	84976.00	144264.00	139939.00	86287.00	83548.00	106920.00	106107.00	92115.00	90785.00	110999.00	118826.00	84569.00	76400.00	100545.00	100222.00	83281.00	87543.00
11-amino-undecanoic acid	68033.00	60422.00	70162.00	67981.00	129602.00	125127.00	59781.00	60567.00	135013.00	142523.00	122807.00	124168.00	95804.00	88494.00	81437.00	77959.00	129711.00	131718.00	70133.00	71067.00	53381.00	49721.00	66977.00	59834.00
C56 H22 N5 O	121771.00	113433.00	149585.00	117124.00	139041.00	114664.00	117182.00	109944.00	109892.00	114676.00	151740.00	109116.00	119822.00	117508.00	129276.00	109998.00	109612.00	107420.00	106416.00	111238.00	118398.00	103575.00	165331.00	103258.00
N-acyl capnines	77107.00	91445.00	100417.00	90320.00	56344.00	66073.00	62160.00	64309.00	102389.00	93962.00	86357.00	84496.00	77668.00	75908.00	174968.00	161293.00	99504.00	108292.00	85857.00	90554.00	41794.00	75897.00	73790.00	83598.00
C42 H64 N3 S	143032.00	135664.00	128377.00	147537.00	127184.00	129692.00	128781.00	131444.00	135819.00	134766.00	135370.00	128377.00	138403.00	132003.00	137746.00	137785.00	140811.00	144420.00	137303.00	128719.00	144224.00	138733.00	142001.00	142855.00
C14 H27 N O3	54518.00	65932.00	44474.00	45531.00	43359.00	41018.00	50031.00	49396.00	38677.00	60271.00	43356.00	47109.00	42855.00	53786.00	31355.00	36617.00	41615.00	47006.00	47381.00	34507.00	35629.00	42671.00	43842.00	46619.00
C52 H35 O4	177790.00	193667.00	177382.00	182641.00	192036.00	181892.00	187497.00	178455.00	175078.00	181768.00	179896.00	176227.00	177634.00	162819.00	169414.00	181357.00	154426.00	174003.00	173188.00	166252.00	168438.00	169688.00	179764.00	157185.00
C3 H4 Cl2 N O2 S2	140532.00	137023.00	142252.00	158141.00	150031.00	150316.00	141178.00	148547.00	15853.00	17254.00	140110.00	149842.00	145063.00	142751.00	147128.00	148883.00	152102.00	146424.00	147704.00	140782.00	146559.00	144903.00	113703.00	114535.00
C16 H19 N4 O6	34078.00	32741.00	96272.00	93165.00	122467.00	125412.00	110685.00	111155.00	1.00	1.00	74091.00	75235.00	74567.00	68432.00	124297.00	123084.00	125216.00	122330.00	127462.00	123685.00	92412.00	93529.00	78842.00	73458.00
C11 H21 N O5	61512.00	56823.00	14021.00	16489.00	18470.00	19678.00	39258.00	38584.00	11955.00	19989.00	17567.00	15640.00	1.00	1.00	137942.00	132662.00	45749.00	51580.00	21630.00	23496.00	34277.00	39436.00	19727.00	23406.00
C12 H2 N2 O12 S2	185069.00	187546.00	174760.00	167574.00	181724.00	175788.00	179349.00	180499.00	43873.00	47225.00	172473.00	178222.00	162908.00	168104.00	150305.00	153926.00	153696.00	160415.00	172130.00	171210.00	164468.00	161348.00	151209.00	145684.00
C13 H35 N18	26306.00	26403.00	31658.00	30449.00	31304.00	27767.00	30823.00	26659.00	28953.00	24658.00	86149.00	17336.00	34024.00	31392.00	35073.00	28267.00	25844.00	30696.00	46534.00	35706.00	37078.00	27017.00	33256.00	26006.00
C11 H7 N4 O2 S	127613.00	123631.00	26546.00	26917.00	121827.00	118786.00	108789.00	113879.00	1.00	1.00	85712.00	82613.00	101737.00	97653.00	1.00	1.00	14877.00	12995.00	89204.00	84409.00	9294.00	7551.00	55943.00	52114.00
C17 H3 Cl3 N3 O2 S3	139904.00	134685.00	136675.00	129915.00	130597.00	137139.00	137023.00	140108.00	12670.00	11226.00	139282.00	143320.00	135417.00	130149.00	120398.00	125530.00	125141.00	122313.00	128864.00	134698.00	129689.00	129743.00	106152.00	100172.00
C11 H5 Cl3 O12 S5	140313.00	147131.00	140504.00	133398.00	153438.00	143586.00	138874.00	141394.00	8332.00	11348.00	134302.00	136544.00	135217.00	127855.00	119939.00	125134.00	117368.00	123168.00	141446.00	136052.00	127363.00	130864.00	114343.00	106229.00
N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine	105509.00	97187.00	131059.00	145939.00	106557.00	109225.00	137469.00	137953.00	17007.00	17831.00	795875.00	332957.00	122462.00	100068.00	134863.00	139658.00	107550.00	116203.00	158177.00	160243.00	160786.00	171928.00	82504.00	84991.00
C27 H55 N8 O4 Esi+11.49	19015.00	24106.00	21084.00	16833.00	19365.00	18915.00	23558.00	21697.00	20598.00	20536.00	109683.00	120683.00	16720.00	19753.00	21298.00	25754.00	21644.00	19530.00	11899.00	17306.00	15883.00	16267.00	18809.00	20349.00
C10 H Cl3 N S3	109165.00	115882.00	123162.00	125348.00	114816.00	114716.00	104261.00	114364.00	6576.00	1.00	115603.00	117167.00	107134.00	116979.00	110979.00	123638.00	119678.00	120153.00	107391.00	97988.00	112276.00	122934.00	84355.00	84624.00
C10 Cl2 N3 O7 S4	147251.00	151815.00	149057.00	147002.00	151024.00	151078.00	147289.00	147200.00	7851.00	8581.00	142422.00	135907.00	145800.00	144991.00	130481.00	129623.00	136110.00	133477.00	143218.00	152386.00	139969.00	139962.00	110414.00	97186.00
C24 H43 N O3	485781.00	468728.00	84284.00	464807.00	467746.00	129703.00	478084.00	510599.00	462785.00	478118.00	114615.00	481232.00	447769.00	445021.00	412171.00	431869.00	123302.00	423742.00	442527.00	444673.00	441488.00	434138.00	447829.00	429801.00
Obtusilic acid Esi+5.067001	388568.00	301776.00	8842.00	223606.00	156815.00	182599.00	133572.00	142083.00	215678.00	175605.00	138289.00	171006.00	231806.00	237651.00	92891.00	89693.00	144529.00	158973.00	450179.00	458691.00	159518.00	131357.00	89376.00	103209.00
Penicillin K	113230.00	114585.00	129302.00	132544.00	113038.00	118328.00	109447.00	106878.00	12134.00	12378.00	115990.00	118798.00	91982.00	94958.00	106760.00	108633.00	102307.00	107057.00	92649.00	95163.00	97683.00	93735.00	60507.00	57334.00
C14 H Cl3 O10 S4	130030.00	128110.00	122127.00	124370.00	136889.00	138796.00	130177.00	124486.00	1.00	5881.00	126895.00	130555.00	126288.00	124214.00	118933.00	122699.00	119842.00	118136.00	124446.00	123532.00	118666.00	127777.00	90010.00	93654.00
Penicillin V	103521.00	95695.00	96426.00	94766.00	91787.00	100554.00	97493.00	94721.00	90517.00	92844.00	151227.00	150418.00	87293.00	89805.00	90634.00	90388.00	84136.00	88176.00	89979.00	91565.00	85619.00	87894.00	86059.00	82951.00
AM3102	159533.00	125856.00	169659.00	147646.00	234992.00	127545.00	143229.00	139024.00	145998.00	151293.00	146021.00	163972.00	149391.00	136387.00	126106.00	133008.00	180366.00	175088.00	206432.00	156274.00	143846.00	153787.00	173650.00	144426.00
C21 H45 N Esi+12.269002	136040.00	125678.00	107469.00	142771.00	134866.00	128629.00	120171.00	126777.00	126348.00	112415.00	132094.00	129416.00	123324.00	126367.00	137039.00	124920.00	126530.00	129070.00	125459.00	113179.00	130100.00	138100.00	119746.00	127888.00
Neoilludin A Esi+6.0500016	200299.00	231478.00	159931.00	171647.00	268179.00	299437.00	147054.00	154240.00	552052.00	597109.00	197338.00	207261.00	297300.00	314425.00	284234.00	304154.00	486582.00	509035.00	283749.00	287999.00	426718.00	440659.00	348461.00	358398.00
Muscimol	82647.00	84708.00	69226.00	71708.00	85081.00	74743.00	65148.00	70593.00	19054.00	19847.00	32583.00	26416.00	71888.00	75581.00	81451.00	82522.00	73515.00	77216.00	74363.00	70564.00	84655.00	82965.00	51487.00	50188.00
C3 H2 O4	127450.00	144272.00	56670.00	56616.00	140166.00	143432.00	157912.00	151889.00	51721.00	55330.00	136180.00	129029.00	129653.00	108398.00	76352.00	82849.00	63530.00	55594.00	165258.00	158283.00	68786.00	80891.00	98492.00	96558.00
L-O-Methylthreonine	143550.00	137503.00	104527.00	119291.00	114612.00	114176.00	117810.00	92306.00	43266.00	43215.00	94132.00	104274.00	79889.00	107568.00	144078.00	143175.00	146100.00	146724.00	129975.00	134661.00	113006.00	115533.00	94623.00	88271.00
7-Cyano-7-deazaguanine	145104.00	145576.00	10182.00	10734.00	13039.00	14089.00	9226.00	10184.00	23064.00	22844.00	1.00	7803.00	7152.00	8660.00	18438.00	21642.00	16824.00	15845.00	13509.00	12070.00	10533.00	12905.00	7233.00	6931.00
C5 H5 N5 O2 S	42151.00	44611.00	29692.00	34412.00	43782.00	45873.00	44011.00	43270.00	36676.00	32454.00	43394.00	38539.00	40093.00	37432.00	120089.00	112494.00	45039.00	39653.00	61698.00	62030.00	41214.00	37798.00	42066.00	47246.00
2-Phenylbutyrolactone	125366.00	112853.00	80017.00	77251.00	98439.00	94634.00	109576.00	107256.00	91452.00	94252.00	132138.00	140612.00	81536.00	89820.00	94611.00	92258.00	83638.00	79550.00	92796.00	84702.00	100981.00	95898.00	88548.00	83403.00
C6 N O3 S2	27944.00	25414.00	30083.00	27413.00	51330.00	50165.00	39792.00	39465.00	1.00	1.00	35205.00	40944.00	43896.00	39894.00	133399.00	125801.00	46907.00	47789.00	65141.00	62222.00	44591.00	42710.00	34531.00	35285.00
C15 N O11 S2	150672.00	157707.00	150835.00	147505.00	153968.00	150962.00	149368.00	150023.00	20728.00	20499.00	150722.00	152081.00	141097.00	148632.00	125398.00	135976.00	134281.00	139694.00	145325.00	152156.00	133464.00	141127.00	123704.00	118513.00
C31 H63 N8 O6	136247.00	134254.00	97972.00	89091.00	150501.00	149277.00	80063.00	72181.00	166750.00	159401.00	89989.00	90490.00	114227.00	104268.00	102402.00	99016.00	135116.00	150010.00	85342.00	79226.00	119152.00	106348.00	94887.00	90161.00
alpha,4,2'-Trihydroxy-4-O-geranyldihydrochalcone	77741.00	74863.00	39736.00	47413.00	60805.00	69907.00	122111.00	121214.00	66726.00	78716.00	41426.00	40430.00	70441.00	58540.00	49089.00	49863.00	63690.00	72824.00	48913.00	42742.00	66053.00	75362.00	62024.00	71367.00
C20 H43 N4 O2 Esi+12.3099985	57801.00	59242.00	54996.00	49537.00	57445.00	50452.00	52889.00	69803.00	56213.00	57780.00	53231.00	54021.00	50725.00	47120.00	54642.00	51766.00	111120.00	109028.00	38518.00	49566.00	56293.00	45612.00	72156.00	66347.00
C29 H55 N15	46764.00	76121.00	93304.00	77034.00	160612.00	99949.00	217381.00	56197.00	125933.00	67409.00	87589.00	107882.00	57260.00	54870.00	99356.00	114839.00	51871.00	101317.00	117930.00	161691.00	42586.00	51688.00	40277.00	117826.00
C34 H69 N8 O7	214823.00	248664.00	140848.00	180752.00	250471.00	216796.00	117370.00	119445.00	265444.00	249691.00	126391.00	124434.00	157928.00	159245.00	199261.00	160894.00	234568.00	239650.00	132146.00	150057.00	210069.00	183041.00	128955.00	132160.00
C13 H20 N4 O4	73943.00	81147.00	72985.00	72642.00	76878.00	77856.00	64765.00	75297.00	124825.00	132692.00	73181.00	74892.00	69393.00	67375.00	71932.00	71621.00	55574.00	71099.00	81484.00	79190.00	63208.00	63395.00	69601.00	70713.00
C9 H17 N6 O2	77189.00	75187.00	71625.00	72095.00	70178.00	70308.00	108980.00	105740.00	132046.00	139517.00	131686.00	136286.00	67225.00	62631.00	18346.00	18919.00	28582.00	27739.00	24353.00	22592.00	1.00	10032.00	16529.00	18305.00
3?,11?-Dihydroxy-12-oxo-5?-cholan-24-oic Acid	132921.00	138601.00	129591.00	131306.00	133429.00	136301.00	132824.00	131454.00	128446.00	133451.00	124973.00	128223.00	123990.00	121689.00	127991.00	129932.00	125692.00	121588.00	106754.00	131997.00	124567.00	129138.00	124199.00	119538.00
2(3H)-Furanone	161893.00	157088.00	116954.00	114172.00	115357.00	124838.00	115928.00	107276.00	32760.00	37266.00	106908.00	102317.00	105668.00	110142.00	136738.00	139849.00	139272.00	129557.00	117138.00	117392.00	133754.00	136634.00	88805.00	96985.00
C14 H3 Cl N4 O2 S4	142859.00	152612.00	143350.00	146319.00	144108.00	151059.00	143434.00	145164.00	19222.00	16592.00	148978.00	155187.00	149198.00	139824.00	133603.00	127579.00	136676.00	128077.00	150884.00	136046.00	131341.00	140065.00	117655.00	108189.00
10-keto stearic acid	83166.00	92352.00	93257.00	100543.00	79816.00	82077.00	93884.00	95257.00	100001.00	109916.00	55646.00	59681.00	92475.00	93779.00	44097.00	84132.00	80770.00	91200.00	85215.00	93764.00	90953.00	65955.00	112408.00	81190.00
C12 H6 O	89721.00	89515.00	101367.00	111064.00	135197.00	131311.00	120034.00	113318.00	28087.00	23377.00	110231.00	113476.00	111307.00	106684.00	135806.00	134025.00	123004.00	125213.00	115139.00	110525.00	109994.00	112772.00	83818.00	79044.00
C33 H63 N O4 S	144393.00	149871.00	122231.00	147066.00	190917.00	200741.00	151107.00	136005.00	154345.00	156385.00	149497.00	137054.00	140733.00	106774.00	138303.00	157074.00	132438.00	113395.00	192032.00	198299.00	145143.00	164759.00	144353.00	151142.00
C32 H61 N O9	120561.00	363016.00	125469.00	117891.00	129619.00	134424.00	116448.00	129336.00	397671.00	116294.00	397860.00	401770.00	151287.00	123284.00	119472.00	116483.00	109119.00	416507.00	162695.00	164450.00	116071.00	130009.00	156700.00	106591.00
C9 H20 O5	102583.00	96661.00	37899.00	42833.00	113314.00	106336.00	38417.00	50521.00	43718.00	46863.00	66456.00	74230.00	33767.00	39739.00	35153.00	37406.00	76468.00	65094.00	132370.00	127452.00	15944.00	13855.00	28758.00	34529.00
C14 H14 N4 Esi+8.22 :1	301816.00	295501.00	176887.00	177670.00	223282.00	216258.00	240533.00	258529.00	228285.00	234339.00	349217.00	357943.00	193579.00	185682.00	216599.00	228726.00	194585.00	200940.00	220352.00	202566.00	228943.00	219593.00	186780.00	181822.00
C24 H42 N3 O4	129936.00	122826.00	127152.00	137914.00	135777.00	139843.00	133200.00	150431.00	97215.00	138976.00	139300.00	136695.00	139400.00	164456.00	148649.00	113319.00	117545.00	123060.00	137718.00	133691.00	140969.00	128345.00	124360.00	103917.00
4'-Hydroxytrimethoprim Esi+13.04	41690.00	28070.00	29969.00	20597.00	37048.00	16960.00	25523.00	13656.00	42253.00	53388.00	17294.00	24167.00	17916.00	10737.00	20981.00	15557.00	27208.00	36751.00	22773.00	6254.00	20668.00	27837.00	23075.00	45872.00
2-Protocatechoylphloroglucinolcarboxylate	120591.00	126710.00	34628.00	33789.00	43890.00	44550.00	41749.00	41487.00	1.00	1.00	29236.00	26210.00	20329.00	21369.00	134817.00	133667.00	75840.00	73417.00	44651.00	45201.00	48547.00	50943.00	40933.00	40129.00
(25S)-5alpha-cholestan-3beta,6alpha,7beta,8beta,15alpha,16beta,26-heptol	95700.00	96782.00	122138.00	114498.00	121238.00	139800.00	115774.00	115502.00	93715.00	132830.00	88934.00	88714.00	117874.00	111044.00	102675.00	120030.00	106782.00	127348.00	110458.00	105604.00	111174.00	102991.00	108692.00	120832.00
C11 Cl2 O9 S4	110672.00	111710.00	98036.00	99174.00	113846.00	118746.00	121205.00	115036.00	13141.00	10839.00	109859.00	105915.00	106735.00	99171.00	92626.00	97249.00	95688.00	98308.00	106691.00	106386.00	91668.00	98584.00	87234.00	82662.00
C12 Cl3 N O13 S4	127232.00	131177.00	123938.00	128803.00	130531.00	125996.00	133157.00	133718.00	6767.00	7470.00	129764.00	129980.00	129989.00	125940.00	115271.00	121989.00	127526.00	117272.00	125910.00	122933.00	119617.00	121421.00	96669.00	94945.00
C13 N O S5	121034.00	121980.00	125972.00	119773.00	124112.00	118582.00	119016.00	122662.00	13893.00	11713.00	120360.00	108755.00	117784.00	119044.00	114039.00	113130.00	114458.00	113660.00	117025.00	115073.00	115530.00	115289.00	96327.00	95848.00
C7 O2 S3	146856.00	148944.00	110311.00	99640.00	119637.00	108980.00	105886.00	112354.00	62804.00	59552.00	108669.00	109448.00	110017.00	113088.00	118298.00	114403.00	94919.00	101663.00	117989.00	121548.00	102630.00	107435.00	98838.00	93981.00
C7 H4 N2 O3 S	47813.00	74143.00	99833.00	65397.00	67914.00	99906.00	49634.00	86266.00	59982.00	70281.00	41721.00	93644.00	49255.00	101080.00	119637.00	196843.00	31632.00	36468.00	112732.00	113076.00	59628.00	102803.00	37048.00	80151.00
Oleoyl Ethyl Amide Esi+13.872995	127727.00	412332.00	62391.00	172373.00	203791.00	197887.00	120305.00	226107.00	86788.00	212427.00	127173.00	79896.00	211827.00	111651.00	99193.00	118651.00	230400.00	129123.00	124810.00	205337.00	189975.00	87618.00	203705.00	195734.00
C40 H62 N10 O7	191416.00	183249.00	149188.00	148669.00	133538.00	199086.00	173720.00	200570.00	163415.00	136595.00	167114.00	135455.00	162048.00	176378.00	131665.00	170643.00	175781.00	165346.00	126876.00	122313.00	169767.00	115186.00	132418.00	149188.00
C27 H46 N3 O13	135450.00	124840.00	1.00	1.00	8486.00	10120.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	6652.00	7882.00	7181.00	9094.00	1.00	1.00	69549.00	67967.00
C30 Cl2 O S5	119800.00	120459.00	119923.00	120065.00	123242.00	119105.00	119804.00	122534.00	6467.00	7099.00	124784.00	120010.00	117915.00	121888.00	111292.00	112236.00	108745.00	109279.00	120209.00	118016.00	113037.00	115957.00	90374.00	99419.00
C8 H4 O11 S	136194.00	133103.00	138153.00	137639.00	141237.00	140075.00	135510.00	133145.00	24671.00	23836.00	145532.00	139272.00	138627.00	124240.00	122149.00	125131.00	135659.00	130294.00	132655.00	130864.00	134241.00	131370.00	103333.00	101454.00
Homobaldrinal	239297.00	236592.00	145591.00	147251.00	180709.00	180101.00	194374.00	206324.00	183820.00	184716.00	268180.00	288782.00	136094.00	140416.00	175693.00	180986.00	153448.00	158552.00	175964.00	164744.00	187934.00	185647.00	155074.00	143005.00
C17 H36 O3 Esi+12.631001 :1	543539.00	1622278.00	2022202.00	1861074.00	972038.00	1016950.00	1032731.00	1036686.00	414137.00	1410741.00	1657561.00	470503.00	578597.00	275642.00	994088.00	300293.00	1436821.00	1448805.00	228314.00	227026.00	554889.00	1943920.00	310661.00	313646.00
C20 H41 N7	153727.00	111567.00	159588.00	128077.00	156195.00	108188.00	105388.00	119438.00	92819.00	98670.00	103642.00	129649.00	112835.00	145392.00	121442.00	120015.00	124346.00	101856.00	118744.00	104372.00	109413.00	118476.00	129416.00	112619.00
1-Hexadecylamine Esi+11.364001	147103.00	109142.00	109607.00	111590.00	133090.00	87889.00	121539.00	122817.00	138185.00	97187.00	112546.00	117673.00	119345.00	114707.00	112702.00	115115.00	117438.00	93777.00	112132.00	115929.00	111784.00	118434.00	97766.00	98281.00
C13 H7 Cl3 S5	88635.00	93038.00	71699.00	68871.00	74827.00	80676.00	79522.00	73730.00	19005.00	17181.00	70192.00	81097.00	76520.00	62964.00	66084.00	65562.00	62666.00	66843.00	83676.00	80625.00	74485.00	61965.00	60980.00	64171.00
C32 H61 N15 O2	120531.00	120257.00	72855.00	77540.00	146623.00	143322.00	71590.00	74293.00	146231.00	151786.00	82201.00	74687.00	100671.00	97203.00	102736.00	103012.00	134135.00	133441.00	73371.00	82135.00	105598.00	102165.00	85024.00	81052.00
C5 H5 O2 S	96069.00	99602.00	51327.00	34523.00	98846.00	101206.00	112162.00	108106.00	47427.00	44785.00	126616.00	96171.00	84236.00	90490.00	37786.00	39019.00	41112.00	32210.00	127907.00	116678.00	46656.00	37746.00	74485.00	71537.00
Pseudouridine Esi+1.2229997	212105.00	230886.00	251435.00	120669.00	236231.00	220318.00	262614.00	253616.00	29558.00	28323.00	263997.00	269333.00	242235.00	250526.00	214015.00	210539.00	260205.00	80915.00	108092.00	301331.00	304459.00	293627.00	31235.00	260429.00
Chamuvaritin Esi+10.919	140286.00	135576.00	1.00	1.00	117263.00	119866.00	1.00	1.00	143219.00	132389.00	1.00	71887.00	78349.00	1.00	71888.00	1.00	1.00	1.00	1.00	53970.00	1.00	1.00	1.00	1.00
C9 H21 N O3 Esi+1.5320002	92427.00	95193.00	74600.00	77878.00	100897.00	96352.00	83776.00	89179.00	127445.00	126989.00	119283.00	109582.00	75681.00	77277.00	72246.00	71970.00	82191.00	83485.00	60776.00	64758.00	88020.00	93008.00	74088.00	71287.00
Bis (2-hydroxypropyl) amine Esi+1.2490002	256980.00	263579.00	251574.00	257796.00	281554.00	10209.00	212422.00	222785.00	282832.00	285375.00	257357.00	256662.00	276069.00	259073.00	220691.00	219221.00	249369.00	236427.00	226886.00	221923.00	238311.00	231634.00	238102.00	231760.00
Bumetanide M1	36717.00	30482.00	33590.00	32824.00	33139.00	34040.00	31170.00	34119.00	41497.00	42399.00	31667.00	31119.00	33578.00	32349.00	29082.00	30142.00	31032.00	27472.00	30405.00	32319.00	31332.00	31077.00	31246.00	27324.00
His Pro	86681.00	91401.00	70220.00	84711.00	89476.00	95884.00	70955.00	85537.00	142987.00	139729.00	96018.00	105391.00	76536.00	84617.00	82773.00	86987.00	90775.00	96833.00	97249.00	117417.00	75017.00	73936.00	79036.00	86971.00
C11 H4 O	75106.00	75378.00	103612.00	108687.00	130112.00	129997.00	114554.00	109247.00	18925.00	17096.00	101160.00	107344.00	106323.00	107206.00	119426.00	123602.00	113337.00	123762.00	105415.00	103423.00	109086.00	110599.00	69633.00	77234.00
C34 H45 N24 O5	132940.00	134536.00	29075.00	26694.00	7055.00	8588.00	1.00	1.00	51900.00	51658.00	1.00	1.00	12957.00	13810.00	11482.00	11210.00	34269.00	36531.00	1.00	1.00	1.00	1.00	1.00	1.00
C16 H4 N O3	115737.00	108805.00	124480.00	113284.00	112039.00	115302.00	100101.00	98065.00	1.00	1.00	126224.00	128098.00	93229.00	94922.00	91112.00	99533.00	96046.00	97386.00	107746.00	101639.00	108336.00	104674.00	68580.00	68918.00
C16 H37 N7 O13 S	96769.00	90179.00	87199.00	83341.00	94307.00	97478.00	83939.00	79354.00	94620.00	98593.00	86329.00	84603.00	88171.00	85462.00	95905.00	110480.00	89188.00	87879.00	81540.00	80219.00	85949.00	87163.00	113375.00	117653.00
C10 N2 S2	43529.00	40762.00	35179.00	37456.00	59769.00	53243.00	48155.00	52419.00	24549.00	19291.00	46482.00	45179.00	45767.00	46971.00	128348.00	127231.00	49831.00	55124.00	74040.00	70771.00	45441.00	40753.00	43029.00	41723.00
C6 H2 N2 O3 S	58263.00	24613.00	44171.00	72378.00	20680.00	48847.00	44870.00	45978.00	45541.00	54681.00	31009.00	52955.00	29951.00	46772.00	28647.00	13367.00	51134.00	53694.00	34328.00	20671.00	36579.00	35699.00	49715.00	57134.00
Dicyclohexylamine	130740.00	124166.00	119989.00	121822.00	110136.00	119115.00	108899.00	106859.00	99162.00	107956.00	98771.00	100772.00	93314.00	92509.00	95527.00	91178.00	98209.00	104529.00	90212.00	97285.00	91109.00	88356.00	82907.00	88321.00
PD 146176	83738.00	81943.00	78329.00	72812.00	80938.00	74882.00	55311.00	50850.00	8386.00	9090.00	51302.00	48307.00	80287.00	81838.00	161384.00	151876.00	128468.00	155844.00	72170.00	69243.00	129758.00	141638.00	82475.00	58449.00
C34 H69 N8 O7 Esi+12.737	208264.00	206382.00	150119.00	180687.00	251047.00	247353.00	116527.00	129752.00	259936.00	249691.00	147392.00	123800.00	157928.00	159920.00	195764.00	158697.00	228162.00	240864.00	134886.00	133218.00	184588.00	170960.00	128955.00	133261.00
C16 H Cl3 N O14 S4	117380.00	119465.00	111237.00	114490.00	125119.00	121528.00	121985.00	118537.00	5992.00	1.00	114619.00	116193.00	120525.00	110958.00	106538.00	101695.00	99234.00	106934.00	116710.00	113934.00	107228.00	108320.00	91652.00	92654.00
Indole-5,6-quinone	35539.00	38715.00	56303.00	47434.00	57093.00	74898.00	154968.00	150625.00	29394.00	19975.00	63184.00	68608.00	92160.00	106456.00	21650.00	53126.00	36383.00	55578.00	126212.00	136756.00	83191.00	52488.00	78740.00	81897.00
C9 H14 N4	80404.00	78055.00	43138.00	42327.00	43575.00	42038.00	37477.00	37896.00	26748.00	27412.00	37036.00	39366.00	42116.00	45612.00	56434.00	64007.00	48980.00	48157.00	37960.00	37906.00	42977.00	47254.00	26418.00	25844.00
1-Aminocyclohexanecarboxylic acid Esi+2.9850004	133596.00	123669.00	94416.00	109836.00	103662.00	103515.00	109291.00	111038.00	107141.00	135968.00	109600.00	107116.00	116021.00	116886.00	113998.00	100243.00	101443.00	106962.00	104230.00	114031.00	113797.00	118552.00	113393.00	101240.00
C21 H37 N8	123607.00	121689.00	121863.00	119748.00	128235.00	122676.00	112823.00	111176.00	123930.00	122332.00	110672.00	118415.00	110305.00	114560.00	113519.00	105807.00	117224.00	120174.00	113150.00	125923.00	110580.00	116282.00	114636.00	102788.00
C6 H7 O2 S Esi+0.7870001	305812.00	268500.00	112816.00	97269.00	248974.00	251737.00	298585.00	310187.00	135934.00	132642.00	274737.00	247233.00	276777.00	264847.00	80089.00	73958.00	144821.00	93516.00	314212.00	345059.00	122592.00	110399.00	207687.00	203616.00
C17 O10 S4	138904.00	135787.00	131053.00	125875.00	141916.00	138071.00	134849.00	137803.00	13962.00	16067.00	135071.00	132262.00	136740.00	125656.00	115764.00	125748.00	121215.00	123379.00	132121.00	127815.00	122579.00	129949.00	101437.00	98212.00
?-Hexalactone	100485.00	58573.00	81943.00	96280.00	73476.00	66801.00	56389.00	61161.00	46258.00	43046.00	49527.00	65891.00	50219.00	61269.00	72347.00	54071.00	69964.00	52292.00	70646.00	58221.00	87595.00	68729.00	67128.00	80799.00
C13 H20 N4	123975.00	120996.00	130600.00	130091.00	102570.00	101233.00	106588.00	104986.00	77944.00	77840.00	68742.00	108106.00	63861.00	70694.00	110214.00	118758.00	105528.00	113062.00	94835.00	96258.00	121005.00	127431.00	111004.00	115978.00
2(3H)-Furanone Esi+0.89599997	169366.00	156153.00	113294.00	115036.00	113439.00	123605.00	112559.00	108500.00	34935.00	35960.00	105876.00	102095.00	106717.00	108298.00	124129.00	135757.00	141392.00	131052.00	121024.00	112185.00	133018.00	132055.00	96737.00	90738.00
3-Hydroxyanthranilic acid	108782.00	110723.00	113654.00	108961.00	130454.00	128708.00	120676.00	116205.00	68467.00	66827.00	90518.00	91504.00	119730.00	116217.00	101561.00	109698.00	138770.00	134990.00	117237.00	119988.00	102174.00	101335.00	74446.00	80045.00
C44 H91 N2 S2	103125.00	113278.00	112577.00	108414.00	111922.00	111318.00	110017.00	115800.00	1.00	1.00	107883.00	109634.00	109799.00	107262.00	97068.00	99152.00	102463.00	99635.00	102533.00	113449.00	102372.00	107143.00	82649.00	81858.00
C31 H69 N4 O10 Esi+12.7579975	304738.00	233724.00	142481.00	182891.00	255653.00	284599.00	130372.00	145720.00	288737.00	293355.00	162365.00	138392.00	190362.00	172746.00	206561.00	178799.00	267183.00	241598.00	148685.00	125713.00	185312.00	177994.00	148057.00	140740.00
Thioridazine	128118.00	143542.00	147815.00	138546.00	148352.00	158646.00	154625.00	142788.00	150458.00	151996.00	127186.00	149568.00	130043.00	142558.00	133983.00	144407.00	123913.00	143099.00	158538.00	141150.00	119125.00	135492.00	156873.00	147789.00
1,4-Dioxane Esi+1.5750002	1.00	1.00	23049.00	24897.00	56075.00	57206.00	12664.00	14868.00	1.00	1.00	129403.00	127276.00	89885.00	85849.00	1.00	1.00	1.00	1.00	1.00	1.00	100317.00	89730.00	30929.00	23644.00
C11 H14 N2 O5 S	126146.00	126604.00	99991.00	104029.00	115405.00	110843.00	122600.00	116313.00	49648.00	54065.00	104374.00	102652.00	93869.00	101051.00	89797.00	85073.00	72198.00	78199.00	111594.00	111591.00	76450.00	88377.00	73326.00	69634.00
C19 H36 N7 Esi+12.46	129748.00	116619.00	146547.00	122323.00	123617.00	122007.00	115734.00	125427.00	131902.00	158338.00	126692.00	172226.00	134900.00	120843.00	125308.00	127304.00	125279.00	109601.00	133808.00	119808.00	125886.00	113745.00	121638.00	124395.00
C35 H20 N10 S	76487.00	72400.00	90331.00	70563.00	98338.00	71490.00	72733.00	68025.00	75923.00	71665.00	106707.00	77353.00	83910.00	68389.00	81237.00	67742.00	72339.00	68990.00	69975.00	65052.00	76574.00	71690.00	121978.00	62248.00
PI(15:1(9Z)/16:0)	81357.00	80880.00	75391.00	74456.00	71440.00	74810.00	73098.00	75910.00	8645.00	9475.00	72115.00	74152.00	74872.00	74880.00	67915.00	75151.00	72706.00	73814.00	67570.00	72806.00	71589.00	73207.00	59091.00	57031.00
C39 H75 N O3	99687.00	98424.00	124301.00	125736.00	116063.00	110981.00	115281.00	113932.00	1.00	1.00	106670.00	111830.00	117377.00	115187.00	131022.00	127039.00	125986.00	126746.00	98138.00	96882.00	115772.00	120087.00	84684.00	82585.00
C23 H54 N13 O5	98637.00	102272.00	93581.00	111889.00	90239.00	90769.00	94585.00	103732.00	103389.00	96256.00	72930.00	103376.00	98426.00	94090.00	112464.00	92025.00	102305.00	93171.00	95400.00	91280.00	84876.00	90952.00	105158.00	93908.00
C18 H40 N3 O3	114548.00	154905.00	169700.00	88663.00	78297.00	112862.00	151102.00	144678.00	180789.00	150755.00	154095.00	164270.00	71389.00	127079.00	137148.00	97099.00	180335.00	130387.00	148363.00	79483.00	141333.00	153921.00	73368.00	146727.00
C6 H8 N3 O5 Esi+1.3150003	282294.00	415626.00	174344.00	183944.00	224544.00	242841.00	242825.00	217598.00	1.00	1.00	181605.00	250488.00	221164.00	195148.00	209421.00	288616.00	238676.00	245425.00	184338.00	182014.00	223589.00	213898.00	1.00	146002.00
C23 H46 N4 O3	118348.00	120385.00	112944.00	113021.00	121594.00	112582.00	116561.00	106754.00	1.00	17090.00	116214.00	120379.00	115707.00	111196.00	113174.00	108404.00	107376.00	104671.00	116072.00	116508.00	106528.00	106074.00	92567.00	91524.00
Cys Cys Lys	75451.00	78820.00	50712.00	51058.00	69519.00	66320.00	82362.00	83755.00	1.00	1.00	49535.00	55904.00	60050.00	60806.00	63425.00	63229.00	65333.00	66336.00	126690.00	111858.00	76442.00	77749.00	105853.00	99624.00
C46 H81 N6 O2	109515.00	100647.00	98186.00	109154.00	106745.00	109253.00	110826.00	103988.00	1.00	1.00	109645.00	104515.00	106543.00	96529.00	107043.00	99369.00	87555.00	97100.00	96614.00	100274.00	91751.00	98435.00	84209.00	85051.00
C28 H57 N O15	107093.00	112175.00	101928.00	107345.00	108278.00	107544.00	104708.00	106656.00	107287.00	106432.00	105312.00	101178.00	110852.00	106367.00	101361.00	98196.00	107653.00	101509.00	108868.00	101966.00	117364.00	106030.00	104844.00	103602.00
C13 H Cl3 N O5 S4	69080.00	71703.00	54992.00	57135.00	65658.00	66494.00	57653.00	61547.00	10584.00	11594.00	61480.00	55949.00	59881.00	64632.00	48113.00	35706.00	51019.00	41626.00	65538.00	56197.00	58753.00	52221.00	46587.00	47339.00
C23 H47 N8 O	123623.00	42947.00	123086.00	105616.00	99511.00	108971.00	90122.00	62486.00	111502.00	146254.00	106204.00	95155.00	104357.00	31635.00	138651.00	127235.00	101352.00	162528.00	109122.00	80371.00	99837.00	105897.00	92739.00	83393.00
Aphyllic Acid	108957.00	97220.00	103170.00	95431.00	94791.00	104230.00	91050.00	99368.00	103547.00	98019.00	104842.00	101315.00	93169.00	102907.00	104272.00	91265.00	92138.00	98138.00	105491.00	91250.00	90906.00	89215.00	102646.00	98117.00
C11 H11 O8 S	77460.00	75090.00	108342.00	114652.00	88464.00	90994.00	63009.00	62989.00	1.00	1.00	65853.00	67300.00	121628.00	118361.00	68979.00	67062.00	106489.00	100653.00	64349.00	59764.00	98158.00	104192.00	46422.00	42168.00
Trolamine	10230.00	10792.00	24407.00	17236.00	26305.00	28194.00	41552.00	11388.00	35254.00	33221.00	56373.00	60785.00	60516.00	55629.00	51001.00	59981.00	148350.00	138410.00	61136.00	68431.00	49733.00	52464.00	121462.00	114892.00
C20 H34 N2 O2	72483.00	64937.00	92357.00	86588.00	45548.00	43640.00	34369.00	35994.00	19742.00	22102.00	108372.00	68733.00	40942.00	36492.00	29062.00	32805.00	31964.00	27745.00	68823.00	65471.00	16159.00	18217.00	14745.00	15916.00
Evocarpine	1.00	1.00	1.00	1.00	36840.00	39166.00	1.00	1.00	11001.00	6972.00	104613.00	103043.00	1.00	1.00	11903.00	11565.00	1.00	1.00	22396.00	23837.00	1.00	1.00	1.00	1.00
PE(18:1(11Z)/20:3(5Z,8Z,11Z))	123203.00	120720.00	119865.00	113147.00	124597.00	122465.00	108821.00	120986.00	122627.00	107373.00	120636.00	115969.00	115703.00	118956.00	112253.00	119691.00	110656.00	109621.00	105342.00	104909.00	114001.00	105308.00	115007.00	105929.00
C20 H45 N4 O	56187.00	56903.00	18892.00	18355.00	20785.00	24184.00	24732.00	23135.00	24501.00	21674.00	46918.00	27860.00	18145.00	16747.00	22932.00	18538.00	23419.00	21006.00	32511.00	32544.00	22743.00	23497.00	100996.00	108391.00
9,12-dioxo-dodecanoic acid	30227.00	29603.00	9590.00	74879.00	58014.00	7382.00	15130.00	16227.00	30686.00	45823.00	115256.00	96006.00	49601.00	44680.00	31242.00	28817.00	83074.00	20097.00	39400.00	51944.00	72445.00	60005.00	61795.00	46551.00
C35 H58 N3 O5	108269.00	94463.00	64624.00	80833.00	75673.00	76814.00	82443.00	81944.00	95637.00	65548.00	103718.00	81818.00	72862.00	72185.00	84130.00	76250.00	101868.00	122365.00	79610.00	72052.00	82205.00	83836.00	80703.00	46669.00
C41 H81 N7 O2	111916.00	113425.00	112670.00	110152.00	112574.00	117911.00	109493.00	113691.00	1.00	1.00	112848.00	119981.00	105907.00	115151.00	113728.00	110732.00	106639.00	108740.00	104768.00	107418.00	108540.00	108057.00	80245.00	79401.00
Thr Asp Glu	29799.00	29066.00	74541.00	83411.00	108314.00	107986.00	67754.00	72200.00	1.00	1.00	47472.00	58256.00	64535.00	55983.00	61337.00	59363.00	76380.00	77616.00	84912.00	80576.00	60065.00	55879.00	41040.00	39379.00
5-Methylcytidine Esi+1.253	112847.00	112093.00	103295.00	99300.00	97672.00	88832.00	99156.00	103150.00	33666.00	36407.00	89051.00	84964.00	94498.00	91038.00	114180.00	109175.00	91787.00	91795.00	94352.00	90436.00	85792.00	81715.00	74849.00	75365.00
C28 H Cl O7 S2	162329.00	165695.00	154951.00	150326.00	160663.00	159384.00	158124.00	159832.00	22177.00	20304.00	158620.00	155700.00	152162.00	146447.00	141796.00	140142.00	135394.00	136360.00	159170.00	156549.00	142921.00	150135.00	129436.00	125688.00
Isobutyrylglycine methyl ester	80254.00	85083.00	91364.00	74282.00	93119.00	85291.00	91458.00	97304.00	1.00	1.00	68547.00	78783.00	108373.00	104562.00	115452.00	125561.00	49743.00	55998.00	81143.00	80305.00	99881.00	101319.00	53514.00	53486.00
C20 H14 N2 O3	203445.00	209471.00	190639.00	194442.00	195966.00	202441.00	200776.00	201127.00	1.00	1.00	190113.00	180169.00	195610.00	184628.00	237124.00	258325.00	301497.00	308397.00	269295.00	271719.00	300059.00	307877.00	145272.00	144957.00
C31 H47 N12	206485.00	189477.00	255489.00	275768.00	178531.00	187852.00	279520.00	273439.00	276340.00	184749.00	132228.00	196201.00	141728.00	115557.00	266632.00	217162.00	231461.00	101536.00	166653.00	174075.00	188262.00	161782.00	267257.00	76164.00
10-Lauroleic acid	69403.00	82766.00	72589.00	82068.00	78242.00	58162.00	72090.00	75484.00	67974.00	66105.00	122634.00	65050.00	43380.00	47577.00	37894.00	52560.00	86522.00	58982.00	58378.00	56108.00	65491.00	61027.00	58509.00	65960.00
C21 H40 N7	97632.00	104090.00	131903.00	56601.00	64968.00	98225.00	117847.00	104007.00	195385.00	128539.00	110363.00	206372.00	71935.00	90059.00	163669.00	144962.00	109636.00	108890.00	95431.00	158093.00	95105.00	93074.00	94062.00	107151.00
(-)-Chimonanthine	99229.00	96414.00	21250.00	24215.00	42130.00	41853.00	39018.00	44332.00	25535.00	27271.00	44642.00	38000.00	38014.00	37873.00	33475.00	33190.00	44009.00	40436.00	26811.00	24385.00	40654.00	40129.00	24154.00	30202.00
Zalcitabine	119113.00	106937.00	77134.00	84185.00	63032.00	64994.00	53446.00	52980.00	1.00	1.00	45327.00	63673.00	77497.00	85018.00	81324.00	83692.00	62176.00	73421.00	74640.00	79016.00	63938.00	69591.00	39875.00	38358.00
C13 H5 Cl3 N3 O3 S4	105786.00	111948.00	102223.00	103765.00	115056.00	120053.00	109137.00	107915.00	10489.00	10268.00	114292.00	110569.00	107525.00	112036.00	91185.00	99490.00	102908.00	107851.00	103418.00	104994.00	104766.00	94598.00	80554.00	82169.00
7,8,3',4',5'-Pentamethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone	176725.00	169273.00	112093.00	112315.00	162882.00	164697.00	99657.00	99006.00	171723.00	167517.00	99109.00	107398.00	111190.00	116754.00	105123.00	109177.00	134571.00	129629.00	91250.00	90402.00	117182.00	116521.00	89968.00	89661.00
Taurine Esi+0.8759999	115888.00	118570.00	74144.00	76022.00	78261.00	79881.00	95254.00	87569.00	67766.00	74786.00	64817.00	68061.00	70867.00	66274.00	161033.00	151715.00	105647.00	106283.00	113059.00	116491.00	73477.00	59502.00	111078.00	104230.00
8-hydroxy caprylic acid Esi+3.7689993	119152.00	127725.00	46528.00	46412.00	92859.00	55681.00	77500.00	82253.00	83956.00	99582.00	70493.00	72321.00	111874.00	96651.00	69697.00	93449.00	73410.00	100821.00	141246.00	159149.00	44798.00	36440.00	60459.00	64010.00
C35 H67 N15 O3	139751.00	130065.00	74623.00	84856.00	149283.00	232184.00	123905.00	78239.00	196363.00	185232.00	73531.00	81711.00	100110.00	93732.00	114025.00	112849.00	150447.00	153281.00	84309.00	70351.00	100817.00	105191.00	98370.00	81722.00
C5 H6 N5 O2 Esi+0.8770002	4690182.00	4557850.00	4897577.00	4974863.00	4951699.00	5038739.00	4431079.00	4442684.00	230434.00	219481.00	5832302.00	5903877.00	4423379.00	4436685.00	4519036.00	4555227.00	5043381.00	5082316.00	4609856.00	4475988.00	4959736.00	5025884.00	3752574.00	3727926.00
C4 N O4 S3	110087.00	114131.00	105019.00	105629.00	111137.00	105195.00	104503.00	107235.00	14449.00	13682.00	103939.00	104596.00	106954.00	108799.00	118705.00	92678.00	111709.00	111708.00	110034.00	113002.00	103248.00	103990.00	87911.00	88083.00
C13 N O11 S	110577.00	99797.00	95179.00	91715.00	103105.00	100579.00	105308.00	93872.00	1.00	1.00	86493.00	90816.00	91384.00	86528.00	98396.00	94328.00	95237.00	100110.00	78158.00	82733.00	101775.00	97566.00	43305.00	42118.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate Esi+10.916 :1	635443.00	613076.00	1.00	1.00	512282.00	502369.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C33 H59 N8 O5	112871.00	296153.00	340921.00	110481.00	467682.00	120243.00	347045.00	108127.00	103503.00	365487.00	44037.00	105787.00	101936.00	284233.00	101703.00	100796.00	365038.00	120371.00	360081.00	136836.00	97457.00	110224.00	92961.00	106437.00
C12 H22 N5 O8 S	60230.00	60073.00	59701.00	62671.00	63385.00	66057.00	63208.00	63414.00	66639.00	68758.00	62894.00	63561.00	63954.00	63770.00	67145.00	74970.00	58004.00	61001.00	56566.00	59465.00	64390.00	68319.00	77947.00	77363.00
C18 H2 N O2	43077.00	39367.00	65063.00	63267.00	91907.00	93286.00	77537.00	77356.00	1.00	13694.00	69402.00	73276.00	72767.00	71931.00	80779.00	75401.00	90510.00	88301.00	71578.00	67931.00	73806.00	73800.00	34722.00	40516.00
Tutin	66430.00	59278.00	34642.00	31307.00	52808.00	53552.00	103567.00	107951.00	56461.00	54369.00	31488.00	33886.00	53443.00	59952.00	38621.00	39178.00	58835.00	57511.00	38293.00	41701.00	57844.00	50690.00	60322.00	53050.00
C38 H83 N8 O6	100483.00	94214.00	98645.00	103611.00	100291.00	96025.00	94802.00	99191.00	1.00	1.00	100890.00	98290.00	101970.00	95732.00	81703.00	93184.00	94020.00	89208.00	93779.00	97276.00	91351.00	92021.00	67514.00	62999.00
C13 H22 N2 O2	110537.00	106097.00	104233.00	113991.00	108605.00	103379.00	104053.00	91581.00	101227.00	88510.00	103420.00	100365.00	107628.00	100993.00	107451.00	87594.00	95668.00	111299.00	97326.00	101165.00	90847.00	104996.00	97664.00	94363.00
MG(0:0/20:3(11Z,14Z,17Z)/0:0)	105385.00	106392.00	105771.00	100713.00	106061.00	107277.00	103779.00	105803.00	107090.00	107000.00	101701.00	109394.00	105077.00	105774.00	95964.00	97428.00	98729.00	98924.00	105841.00	96929.00	99839.00	100471.00	95589.00	96135.00
C46 H93 N2 O S	110719.00	92801.00	95244.00	99657.00	101565.00	93478.00	96143.00	93087.00	1.00	1.00	101929.00	92600.00	96490.00	101149.00	83725.00	89941.00	83010.00	90155.00	91731.00	95777.00	94470.00	96597.00	79605.00	79299.00
C24 H37 N7 O	93294.00	98467.00	98935.00	103015.00	100757.00	98303.00	97156.00	90113.00	96424.00	97366.00	98997.00	91419.00	90930.00	95361.00	97569.00	102548.00	96222.00	93767.00	89257.00	92877.00	93979.00	98636.00	93298.00	94424.00
E-64	57957.00	66618.00	54894.00	66036.00	57125.00	66406.00	57378.00	60915.00	99221.00	105212.00	59749.00	64052.00	52008.00	59388.00	57120.00	55931.00	51977.00	56983.00	63844.00	65751.00	47980.00	54062.00	55710.00	58273.00
C8 H3 Cl3 N O6 S5	69928.00	70032.00	60749.00	59596.00	61454.00	65359.00	61714.00	62112.00	1.00	1.00	63435.00	59376.00	62235.00	59038.00	56091.00	55216.00	60427.00	51582.00	60471.00	59351.00	54435.00	56447.00	46570.00	45875.00
C28 H53 N5 O4	203987.00	117185.00	118003.00	120591.00	116176.00	100152.00	95808.00	116972.00	98266.00	110392.00	106582.00	110589.00	107351.00	146582.00	89686.00	176120.00	141221.00	113157.00	100950.00	117391.00	101144.00	121394.00	111017.00	145175.00
C26 H53 N O14	99354.00	99552.00	98143.00	102072.00	95465.00	99212.00	93891.00	96487.00	96918.00	96321.00	94509.00	95955.00	97222.00	97930.00	94810.00	97564.00	96809.00	94996.00	96632.00	91598.00	92780.00	88419.00	86902.00	92924.00
C11 H3 N O5	54143.00	66214.00	22965.00	18072.00	92523.00	86038.00	98120.00	94596.00	7351.00	8145.00	91379.00	81216.00	77045.00	74672.00	11171.00	11375.00	31437.00	22588.00	93205.00	97875.00	22631.00	21884.00	49508.00	47083.00
C30 H52 N9 O2	86218.00	79871.00	83751.00	88897.00	80863.00	77938.00	82839.00	87049.00	86166.00	76853.00	77932.00	95588.00	81375.00	85839.00	110966.00	90481.00	83225.00	94531.00	79549.00	99451.00	85325.00	84435.00	98617.00	83278.00
Arctolide	53034.00	53160.00	38959.00	39174.00	66473.00	62875.00	29323.00	34678.00	109857.00	117255.00	44707.00	51345.00	62747.00	64037.00	60828.00	58120.00	101996.00	96210.00	56860.00	59584.00	84749.00	82382.00	68315.00	65844.00
C15 H3 Cl3 O16 S3	103328.00	96693.00	96732.00	97709.00	101780.00	103802.00	97406.00	99705.00	1.00	1.00	103318.00	102680.00	98268.00	96315.00	87267.00	98711.00	90269.00	86070.00	101077.00	99743.00	94017.00	97283.00	77462.00	80051.00
CI Acid Orange 20	10081.00	14290.00	18031.00	17771.00	21970.00	23000.00	21241.00	24351.00	65611.00	62376.00	1.00	1.00	8416.00	9926.00	19032.00	16373.00	43393.00	44388.00	58936.00	56709.00	58749.00	52398.00	107542.00	102694.00
C31 H59 N O3 S	174616.00	195571.00	171702.00	142572.00	233461.00	204823.00	134166.00	161808.00	172144.00	169580.00	183975.00	183535.00	175948.00	139538.00	172241.00	180198.00	208236.00	178959.00	218642.00	238878.00	122721.00	180910.00	167869.00	163527.00
Cinncassiol C2	7070.00	9373.00	98042.00	90584.00	39258.00	35567.00	1.00	1.00	6492.00	7231.00	13524.00	11570.00	1.00	1.00	7773.00	6405.00	64216.00	61801.00	1.00	1.00	16580.00	15337.00	1.00	1.00
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid	103865.00	122541.00	117188.00	111854.00	119146.00	115313.00	116795.00	106852.00	96711.00	116838.00	122536.00	109965.00	109592.00	115358.00	109675.00	111077.00	114627.00	109926.00	105446.00	108683.00	105150.00	115661.00	101880.00	101940.00
N-oleoyl isoleucine Esi+12.056	95479.00	74772.00	116607.00	98900.00	104078.00	107216.00	83436.00	89815.00	101237.00	105346.00	119390.00	97346.00	120451.00	83318.00	96810.00	101926.00	97485.00	106484.00	91360.00	64832.00	83991.00	112067.00	93256.00	115808.00
C29 H55 N15 Esi+12.779	256224.00	257334.00	162136.00	132848.00	253707.00	249345.00	159604.00	146359.00	291610.00	300941.00	107884.00	139630.00	199759.00	158900.00	174711.00	172324.00	276333.00	308148.00	134457.00	123956.00	170854.00	163535.00	177622.00	143861.00
Thiodicarb	106371.00	102874.00	78694.00	77564.00	94064.00	95106.00	94877.00	98801.00	40554.00	41241.00	84832.00	82924.00	75039.00	78568.00	68970.00	63753.00	55408.00	51048.00	98904.00	91102.00	58889.00	60336.00	54540.00	51125.00
C27 H55 N8 O4 Esi+12.427001	88631.00	91575.00	65561.00	65232.00	92051.00	94582.00	59115.00	49949.00	111032.00	107650.00	56922.00	63226.00	77112.00	42663.00	69924.00	74747.00	83336.00	82797.00	53320.00	57740.00	67683.00	60525.00	59135.00	71073.00
C49 H90 Cl	96771.00	99880.00	102714.00	97403.00	103855.00	106966.00	108015.00	108216.00	1.00	1.00	107269.00	102060.00	90082.00	97607.00	94687.00	97071.00	97459.00	94045.00	101977.00	98676.00	99699.00	95929.00	71812.00	77023.00
3-Methylamino-1,2-propandiol	52660.00	51065.00	57845.00	56481.00	70832.00	72193.00	65642.00	55456.00	83631.00	88906.00	57613.00	53506.00	43620.00	36828.00	81456.00	83811.00	62213.00	72334.00	60123.00	58351.00	38960.00	42011.00	95683.00	89528.00
Ferimzone	82471.00	85849.00	89623.00	82834.00	82825.00	87142.00	83221.00	82698.00	89483.00	86479.00	81125.00	80126.00	78648.00	75526.00	82919.00	83703.00	81838.00	87339.00	76542.00	81899.00	76669.00	78646.00	82661.00	84476.00
3-hydroxy-dodecanedioic acid Esi+9.524001	64102.00	65022.00	101849.00	91353.00	63473.00	63877.00	61788.00	61014.00	49258.00	43666.00	44167.00	47945.00	44645.00	44030.00	50363.00	47760.00	58120.00	51024.00	50546.00	47219.00	70426.00	72585.00	68418.00	66590.00
N-Benzyloxycarbonylglycine	63310.00	65823.00	38605.00	41128.00	52859.00	49765.00	16677.00	17154.00	1.00	1.00	21018.00	18363.00	47379.00	46010.00	102155.00	110207.00	63598.00	69054.00	36632.00	32586.00	53261.00	53001.00	20872.00	18401.00
C17 Sphinganine Esi+9.859999	121841.00	118005.00	118708.00	121404.00	141093.00	141201.00	104734.00	103094.00	258337.00	263795.00	284551.00	271461.00	105641.00	106139.00	95940.00	89075.00	121788.00	122420.00	125589.00	120854.00	136429.00	135440.00	117352.00	121447.00
C12 H N3 O5	19483.00	21561.00	19644.00	18266.00	36520.00	35270.00	26637.00	30553.00	1.00	1.00	27953.00	25502.00	26051.00	24847.00	91677.00	95185.00	34756.00	31899.00	42019.00	43102.00	26673.00	29415.00	22107.00	23756.00
C29 H55 N8 O11	101657.00	97362.00	98220.00	91783.00	91997.00	93702.00	89807.00	90370.00	92309.00	90805.00	94674.00	88690.00	91848.00	91263.00	92640.00	90234.00	93265.00	88875.00	100478.00	99585.00	87646.00	89844.00	87810.00	85143.00
4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinazoline	80670.00	74375.00	95818.00	97114.00	55385.00	54891.00	65252.00	59521.00	47982.00	44470.00	47931.00	51887.00	43878.00	55310.00	55864.00	50830.00	82053.00	70833.00	50679.00	48230.00	88412.00	83180.00	60925.00	66351.00
C40 H85 N8 O2	70653.00	81145.00	65957.00	71801.00	67297.00	71430.00	80231.00	69151.00	1.00	1.00	62044.00	63955.00	76969.00	68637.00	66489.00	63655.00	65445.00	63795.00	69330.00	71443.00	68888.00	68010.00	57586.00	49304.00
C8 H2 O13	102420.00	104774.00	111723.00	101955.00	112199.00	106594.00	96500.00	98811.00	1.00	1.00	112814.00	112014.00	104330.00	101925.00	99501.00	108658.00	112533.00	106902.00	89627.00	91496.00	105359.00	105554.00	60705.00	60337.00
C15 H5 Cl3 N2 O4 S5	102894.00	96107.00	92318.00	98612.00	97220.00	98106.00	105161.00	99655.00	5690.00	8984.00	94542.00	105312.00	97685.00	96939.00	82229.00	90050.00	86188.00	87930.00	97519.00	97523.00	96042.00	85858.00	70738.00	72215.00
2alpha-Methyl-17beta-[(tetrahydro-2H-pyran-2-yl)oxy]-5alpha-androstan-3-one	90423.00	80364.00	96766.00	97919.00	82165.00	97302.00	87967.00	82856.00	75367.00	95121.00	86267.00	86373.00	84934.00	83220.00	94111.00	81166.00	89295.00	79586.00	75347.00	71597.00	86013.00	79417.00	84391.00	81247.00
PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	46745.00	52028.00	46169.00	51188.00	45316.00	46934.00	51748.00	48901.00	50157.00	47521.00	51138.00	49939.00	47669.00	44936.00	47801.00	48328.00	48839.00	49881.00	46245.00	51855.00	49144.00	46336.00	48911.00	52118.00
C25 H51 N8 O6 S	23067.00	23989.00	19912.00	20553.00	21034.00	22747.00	23615.00	21938.00	26683.00	21849.00	106160.00	107928.00	22611.00	20516.00	24884.00	25172.00	21923.00	23324.00	19933.00	18067.00	18709.00	19404.00	26247.00	27292.00
5-D-(5/6)-5-C-(Hydroxymethyl)-2,6-dihydroxycyclohex-2-en-1-one	105910.00	99562.00	119716.00	115964.00	110257.00	108843.00	107758.00	99100.00	20269.00	13314.00	83050.00	88940.00	86069.00	89245.00	130398.00	118323.00	120429.00	123631.00	97848.00	89079.00	136520.00	144060.00	69657.00	69458.00
C37 H65 O4 S	139527.00	125900.00	123015.00	125384.00	128401.00	144972.00	136840.00	137973.00	124481.00	124329.00	128096.00	131736.00	122658.00	127597.00	114069.00	139132.00	115355.00	142163.00	133005.00	125354.00	115032.00	128339.00	124333.00	113411.00
C21 H43 N8 O	33676.00	34745.00	32482.00	29386.00	33578.00	29120.00	41265.00	32284.00	33794.00	33261.00	104938.00	104276.00	28900.00	31298.00	31798.00	43380.00	32822.00	30613.00	27818.00	30486.00	22943.00	33049.00	33146.00	33732.00
C4 H N	113708.00	117752.00	124005.00	125909.00	121244.00	116812.00	123339.00	112793.00	32821.00	36109.00	111645.00	106014.00	120567.00	122092.00	111728.00	114542.00	128247.00	122013.00	105003.00	128834.00	117040.00	114690.00	86609.00	97939.00
C5 H2 Cl2 N4 O2 S4	85183.00	82385.00	82996.00	82427.00	84161.00	84153.00	87379.00	85762.00	9230.00	9971.00	85949.00	80832.00	82641.00	76913.00	76529.00	72153.00	78172.00	78062.00	80114.00	81778.00	82988.00	75380.00	64804.00	64965.00
C51 H101 N O5 S3	98396.00	118649.00	123395.00	110390.00	118059.00	123205.00	102173.00	118054.00	121472.00	126032.00	113309.00	136082.00	118405.00	101877.00	126128.00	119280.00	133004.00	105904.00	98759.00	124067.00	117737.00	108407.00	118988.00	94512.00
C34 H59 N5 S	210632.00	206751.00	151535.00	134940.00	202753.00	216090.00	150290.00	159667.00	245440.00	247881.00	120293.00	122755.00	150423.00	175809.00	155516.00	155344.00	210491.00	249332.00	96396.00	121106.00	145330.00	162345.00	142257.00	139536.00
C24 H28 N3 O2	115526.00	111624.00	103857.00	112313.00	124151.00	137515.00	80764.00	121688.00	108176.00	99988.00	91765.00	95047.00	189782.00	103353.00	102654.00	102532.00	93988.00	86671.00	110506.00	117875.00	75814.00	107160.00	130233.00	119062.00
1-Octadecanamine	97894.00	109787.00	102901.00	95516.00	98518.00	74876.00	113288.00	142564.00	116467.00	84085.00	117263.00	87267.00	108817.00	96439.00	109920.00	102062.00	98122.00	94051.00	125841.00	108191.00	96428.00	106545.00	87737.00	79490.00
C31 H67 N11 S2	98275.00	121676.00	121205.00	113614.00	158814.00	139542.00	131787.00	110623.00	110928.00	128171.00	96033.00	116058.00	89320.00	101693.00	110964.00	106932.00	113308.00	110588.00	117233.00	137246.00	108919.00	93855.00	135005.00	105529.00
C35 H63 N8 O6	253901.00	93345.00	310654.00	79451.00	227674.00	94236.00	82324.00	79854.00	103469.00	87054.00	258731.00	90775.00	85157.00	87330.00	213756.00	82306.00	237646.00	193965.00	92182.00	100608.00	199975.00	84713.00	81799.00	224132.00
C17 H Cl3 N3 O12 S2	107858.00	102252.00	92408.00	90684.00	100391.00	105710.00	106998.00	94608.00	14210.00	14750.00	95753.00	98317.00	91692.00	97080.00	87755.00	89189.00	81888.00	84132.00	94441.00	97698.00	97100.00	90115.00	76919.00	76930.00
C9 H16 N2 O2 Esi+3.8239992	76772.00	79703.00	79410.00	67061.00	65378.00	65414.00	103749.00	104181.00	14560.00	12002.00	28715.00	30450.00	75381.00	80466.00	43689.00	41060.00	60073.00	50846.00	53048.00	55998.00	46756.00	31145.00	41063.00	44197.00
C5 H N O3 S Esi+0.7870001	129501.00	139566.00	244031.00	245747.00	89703.00	133531.00	92944.00	117456.00	193255.00	215179.00	19590.00	136879.00	94619.00	122606.00	170045.00	118190.00	140812.00	141123.00	87874.00	102039.00	146818.00	142526.00	169331.00	172666.00
C14 H13 N5 O5	84542.00	83578.00	92809.00	101681.00	89605.00	88026.00	74540.00	72496.00	1.00	1.00	77413.00	72250.00	83482.00	80407.00	97582.00	97871.00	91163.00	90107.00	73130.00	74292.00	97786.00	93996.00	47572.00	45145.00
Glycine xylidide	109140.00	103714.00	110456.00	98474.00	111357.00	100889.00	99642.00	102681.00	92499.00	100455.00	100430.00	104368.00	101663.00	96292.00	95446.00	96354.00	91711.00	100950.00	109638.00	90419.00	88846.00	101378.00	96492.00	88648.00
C24 Cl2 N2 O4 S5	93558.00	103611.00	88331.00	87615.00	96686.00	101550.00	98670.00	103074.00	8445.00	11417.00	92524.00	94930.00	100243.00	97552.00	85184.00	87955.00	86694.00	80426.00	102622.00	101399.00	87000.00	92337.00	80783.00	82405.00
2-Naphthoic acid	10441.00	11777.00	31726.00	27898.00	62422.00	57800.00	15557.00	18443.00	1.00	1.00	108737.00	102272.00	81508.00	78118.00	1.00	1.00	1.00	1.00	8199.00	7969.00	84542.00	81096.00	33120.00	32713.00
C45 H87 N O16	93418.00	95751.00	103077.00	105821.00	110395.00	104831.00	88827.00	98602.00	119218.00	102410.00	115375.00	107331.00	97669.00	100456.00	123124.00	90999.00	103283.00	92531.00	107310.00	112204.00	99857.00	113843.00	86525.00	105858.00
C35 H12 N12 O3	59482.00	62610.00	84042.00	65347.00	88266.00	61281.00	64352.00	60830.00	59988.00	64847.00	88426.00	60268.00	72504.00	65122.00	74934.00	57548.00	57603.00	59910.00	58763.00	59973.00	72504.00	59870.00	113188.00	53277.00
C30 H46 N2 O11 S2	69969.00	68352.00	17484.00	17508.00	48379.00	46793.00	23484.00	19888.00	92940.00	98763.00	14909.00	15718.00	29036.00	24051.00	21699.00	20245.00	43020.00	43940.00	17780.00	12919.00	22782.00	18964.00	31588.00	33033.00
C24 H Cl3 N O S4	110936.00	104884.00	92031.00	97627.00	105859.00	108877.00	109749.00	103338.00	14357.00	13069.00	102171.00	104172.00	104536.00	98109.00	87984.00	88218.00	95894.00	83750.00	103036.00	100462.00	89239.00	84450.00	77933.00	75304.00
C22 H50 N23	113103.00	96986.00	98363.00	99621.00	92772.00	84481.00	93822.00	98387.00	95717.00	96215.00	85550.00	89454.00	84971.00	94958.00	87058.00	82875.00	106787.00	98013.00	93453.00	99078.00	93683.00	94088.00	88619.00	96775.00
C10 H2 O4 S	63605.00	67785.00	52908.00	52570.00	72046.00	67271.00	73243.00	76561.00	10362.00	11815.00	58414.00	64966.00	63167.00	67088.00	108854.00	102641.00	47914.00	51028.00	84861.00	94585.00	55224.00	48637.00	43593.00	37484.00
Nummularine F	95054.00	67294.00	108722.00	75827.00	74512.00	75381.00	79879.00	72256.00	79622.00	72548.00	71115.00	81045.00	66828.00	70337.00	59002.00	78790.00	72123.00	62623.00	64207.00	65864.00	65031.00	72668.00	68556.00	65213.00
C9 H20 N4 O4	99964.00	92485.00	20123.00	20243.00	23441.00	22911.00	7323.00	7385.00	9915.00	7137.00	12291.00	11569.00	19773.00	19553.00	75154.00	71948.00	33712.00	26291.00	22856.00	32759.00	15888.00	15316.00	12975.00	12729.00
Asp-Asn-OH	61903.00	58816.00	74931.00	54135.00	77144.00	55959.00	56053.00	53770.00	59120.00	62262.00	76224.00	50225.00	61131.00	56297.00	71275.00	53501.00	50639.00	49787.00	54335.00	53631.00	61995.00	51876.00	108123.00	57164.00
C8 H15 N2 O3	52804.00	51725.00	63649.00	66350.00	53091.00	50331.00	40452.00	46677.00	1.00	1.00	50440.00	45915.00	48182.00	47800.00	55249.00	56924.00	50648.00	50892.00	40005.00	43002.00	54660.00	49956.00	26588.00	24880.00
Dibutyl succinate	75742.00	74559.00	71488.00	65433.00	76873.00	68430.00	72861.00	66646.00	57904.00	70110.00	67726.00	58054.00	62636.00	61854.00	63645.00	55042.00	77636.00	69105.00	77122.00	71979.00	49820.00	62801.00	61946.00	62387.00
Proline Esi+1.6119996	50675.00	64175.00	80573.00	85327.00	85945.00	85061.00	90054.00	93632.00	1.00	1.00	69250.00	63984.00	90572.00	91294.00	127281.00	104416.00	77644.00	75570.00	78496.00	66929.00	89061.00	70238.00	42288.00	50310.00
C28 H53 N O2 S	80299.00	164450.00	147712.00	141343.00	97206.00	67258.00	136105.00	91603.00	120995.00	120439.00	116817.00	61429.00	73503.00	78722.00	74175.00	85649.00	77386.00	63680.00	59522.00	108504.00	142967.00	88241.00	127209.00	167085.00
C20 H3 Cl N3 O7 S5	97665.00	97739.00	91160.00	89016.00	98004.00	100324.00	101393.00	98140.00	11970.00	9776.00	98630.00	101737.00	90788.00	87604.00	83664.00	80872.00	87072.00	89133.00	96256.00	94297.00	90631.00	92911.00	78169.00	80844.00
C9 H10 O8	193613.00	193937.00	33561.00	18794.00	27014.00	57575.00	27232.00	24204.00	99180.00	110810.00	57434.00	57236.00	74543.00	28502.00	21007.00	23132.00	18407.00	64656.00	18611.00	8360.00	12691.00	14478.00	28128.00	27430.00
Strigolactone ABC-rings	69167.00	99555.00	66653.00	79252.00	63764.00	61784.00	63643.00	60168.00	60723.00	82296.00	53136.00	59519.00	64936.00	64364.00	53270.00	87724.00	78256.00	60749.00	51046.00	50240.00	59541.00	58226.00	59381.00	55198.00
C12 H12 N4 O8 S	59611.00	54222.00	48321.00	45645.00	75585.00	68795.00	42835.00	43168.00	67152.00	66570.00	100530.00	93704.00	61529.00	56590.00	65308.00	68469.00	38394.00	36714.00	27584.00	26636.00	48570.00	45508.00	24950.00	27602.00
C8 H8 O14	101952.00	102303.00	74878.00	74841.00	92343.00	87118.00	92525.00	89540.00	1.00	1.00	71423.00	79140.00	78644.00	78955.00	82724.00	88379.00	87698.00	88596.00	77308.00	76486.00	82629.00	82225.00	48409.00	45192.00
C14 H21 N5 O2 Esi+8.856998	97886.00	97577.00	123668.00	127337.00	76213.00	72120.00	73153.00	82481.00	60009.00	54988.00	74661.00	67945.00	62946.00	61666.00	66447.00	67142.00	97471.00	94501.00	66734.00	66578.00	106411.00	115414.00	94004.00	91453.00
C31 H67 N23	76855.00	78553.00	87716.00	83603.00	83694.00	81893.00	83921.00	84436.00	1.00	1.00	83421.00	81549.00	81021.00	76418.00	82466.00	81159.00	81784.00	76004.00	78404.00	77316.00	81053.00	78174.00	54356.00	57545.00
2-(3'-Methylthio)propylmalic acid Esi+13.640005	42424.00	46685.00	51527.00	41908.00	52698.00	39082.00	43917.00	40204.00	39949.00	38287.00	58510.00	43060.00	43356.00	42634.00	44408.00	35667.00	37869.00	37637.00	37520.00	36184.00	46259.00	41593.00	72631.00	38376.00
C27 H51 N O S	145503.00	88610.00	76207.00	140426.00	130986.00	156521.00	70360.00	210495.00	143532.00	97479.00	238307.00	150192.00	18598.00	209224.00	81758.00	226694.00	273798.00	176319.00	90154.00	224369.00	211884.00	67842.00	239883.00	216233.00
C35 H24 N12 O2 S2	67217.00	62370.00	76455.00	60038.00	78085.00	55708.00	65035.00	58442.00	60730.00	59861.00	85607.00	58158.00	62450.00	60810.00	76090.00	58796.00	58198.00	53359.00	56773.00	54616.00	64105.00	57239.00	95024.00	60035.00
C28 H49 N S	117058.00	93474.00	118503.00	103723.00	105217.00	112661.00	112028.00	107839.00	100916.00	99015.00	112859.00	108565.00	115503.00	107353.00	99541.00	96243.00	102493.00	100101.00	98509.00	104667.00	102454.00	106637.00	95264.00	121700.00
8-methoxy-13-hydroxy-9,11-octadecadienoic acid	119750.00	117486.00	86947.00	99943.00	117208.00	129054.00	132938.00	108441.00	135811.00	105741.00	114633.00	103778.00	101254.00	110884.00	102343.00	95408.00	89080.00	94897.00	95755.00	67152.00	89568.00	70618.00	81529.00	44866.00
Fructoselysine	123516.00	150229.00	99232.00	112641.00	124133.00	118724.00	90627.00	123273.00	12500.00	1.00	60154.00	57195.00	113377.00	92323.00	114087.00	106002.00	163175.00	155959.00	116743.00	106622.00	109693.00	120793.00	95614.00	91765.00
2?,3?-Dihydroxy-6-oxo-5?-chol-7-en-24-oic Acid	93747.00	101315.00	102933.00	96910.00	102391.00	94700.00	91543.00	93866.00	85521.00	84387.00	92569.00	78508.00	77431.00	77347.00	92719.00	86851.00	73120.00	84900.00	85117.00	82909.00	86248.00	76780.00	83562.00	77235.00
C18 N O15 S2	97865.00	100733.00	92101.00	90786.00	98378.00	97689.00	97040.00	94235.00	16633.00	15781.00	93463.00	97132.00	92110.00	96379.00	84359.00	85221.00	86983.00	84317.00	96460.00	99193.00	89263.00	93831.00	82687.00	76694.00
C14 H30 O3	119897.00	112697.00	110492.00	102933.00	133573.00	104352.00	95690.00	88331.00	101783.00	91763.00	113519.00	117631.00	86677.00	85036.00	87114.00	96670.00	111890.00	108484.00	86512.00	95655.00	101822.00	95883.00	90842.00	89973.00
Gabapentin	56163.00	46932.00	57477.00	43022.00	87956.00	97615.00	36861.00	48544.00	62530.00	67163.00	97252.00	88764.00	56420.00	42942.00	51764.00	63035.00	70521.00	71644.00	103623.00	110020.00	43044.00	35243.00	39345.00	39949.00
C5 H N2 O4 S	63753.00	64075.00	55080.00	58840.00	84670.00	94990.00	89888.00	88477.00	1.00	1.00	71935.00	74311.00	71336.00	75780.00	73484.00	74450.00	56943.00	60429.00	75756.00	82348.00	66919.00	66820.00	32244.00	32609.00
Flucytosine	108616.00	112573.00	97461.00	98754.00	87654.00	89966.00	80018.00	80019.00	21498.00	24527.00	80014.00	79223.00	93173.00	96871.00	94203.00	95045.00	88801.00	86894.00	93399.00	91653.00	84265.00	85933.00	51116.00	54173.00
2-(3'-Methylthio)propylmalic acid Esi+8.921998	49728.00	51703.00	47639.00	52908.00	44591.00	57005.00	44990.00	53435.00	52391.00	57501.00	46132.00	48967.00	43368.00	47462.00	44693.00	49966.00	43127.00	46276.00	44301.00	43258.00	47210.00	43453.00	41751.00	52740.00
C15 H18 N4 O2	55024.00	65025.00	71837.00	64945.00	62060.00	74752.00	58467.00	77423.00	87167.00	80209.00	54835.00	59583.00	51156.00	43147.00	35249.00	61867.00	45681.00	38751.00	54489.00	54113.00	53736.00	50091.00	50150.00	47525.00
4-Acetamido-2-amino-6-nitrotoluene	43070.00	34613.00	49462.00	45791.00	58562.00	54072.00	18293.00	18123.00	1.00	1.00	32432.00	25442.00	48593.00	51819.00	55667.00	53496.00	45448.00	50015.00	37824.00	34305.00	68110.00	68465.00	39709.00	42365.00
C3 H4 N2 O6	130941.00	125150.00	94864.00	95590.00	114457.00	110008.00	108313.00	108132.00	16182.00	17497.00	104147.00	100180.00	105297.00	102279.00	112251.00	111744.00	111711.00	112739.00	103354.00	112701.00	111997.00	113229.00	74613.00	70838.00
C29 H59 N8 O11	93094.00	94226.00	91601.00	93818.00	87281.00	85295.00	81114.00	85630.00	99641.00	96472.00	90221.00	88680.00	85288.00	88830.00	91058.00	90197.00	97420.00	93718.00	88486.00	89296.00	87181.00	84991.00	89194.00	86710.00
C4 H5 O3 S	75345.00	83339.00	31716.00	25578.00	70097.00	77017.00	98532.00	96845.00	49921.00	49856.00	88971.00	74151.00	70837.00	65735.00	21768.00	1.00	24457.00	22148.00	95797.00	99380.00	25132.00	23796.00	65307.00	55648.00
4-(Hydroxylamino)-N,N-dimethylaniline	98578.00	93042.00	86217.00	105430.00	98157.00	87430.00	95378.00	80049.00	91765.00	92033.00	83305.00	88439.00	102932.00	88958.00	83941.00	94750.00	99018.00	86727.00	85206.00	88004.00	83201.00	89548.00	98333.00	84279.00
C8 N2 O S Esi+0.8409997	282284.00	287672.00	232185.00	246440.00	286323.00	301356.00	271808.00	291862.00	90140.00	83638.00	264816.00	270021.00	287080.00	290411.00	276659.00	261019.00	265151.00	258444.00	272557.00	279504.00	255016.00	257462.00	234025.00	218000.00
C3 H2 N O7 S	143667.00	128162.00	97317.00	89501.00	147815.00	147389.00	142421.00	147323.00	17980.00	14179.00	161382.00	139235.00	150526.00	142741.00	67007.00	59354.00	84658.00	82884.00	152774.00	146588.00	119637.00	110793.00	77815.00	99215.00
Flupenthixol-O-glucuronide	108385.00	114774.00	116099.00	101955.00	118445.00	117577.00	114712.00	107167.00	109038.00	108117.00	112189.00	112379.00	112177.00	116586.00	104472.00	111667.00	109907.00	112387.00	104922.00	102397.00	119586.00	114346.00	112606.00	113982.00
C7 H2 O11 S Esi+0.8400001	199906.00	199255.00	198198.00	198861.00	193126.00	190101.00	194548.00	184967.00	47842.00	47004.00	187665.00	177787.00	176959.00	177505.00	161278.00	162678.00	161197.00	161640.00	183147.00	186481.00	164624.00	165403.00	156678.00	156941.00
THTC Esi+1.528	254085.00	92811.00	269179.00	277011.00	257575.00	257949.00	155678.00	158594.00	26811.00	26479.00	232265.00	224000.00	216960.00	201548.00	308992.00	318809.00	236894.00	241944.00	225197.00	228248.00	266816.00	272038.00	136455.00	135044.00
C21 H33 N5 O	72685.00	68673.00	175297.00	169834.00	78543.00	75500.00	124018.00	118887.00	77148.00	50077.00	63761.00	69689.00	67023.00	44855.00	67473.00	122788.00	127617.00	85743.00	81272.00	85711.00	97938.00	152295.00	69619.00	60191.00
C8 H2 O8 S2	94976.00	91257.00	77421.00	74538.00	92159.00	93120.00	86787.00	91382.00	1.00	7069.00	89234.00	87759.00	91446.00	89610.00	58331.00	56580.00	70334.00	68272.00	79715.00	83128.00	91823.00	85082.00	65021.00	67734.00
1,4-Dioxane Esi+3.1240003	79695.00	127963.00	93556.00	68301.00	143621.00	101623.00	50414.00	62362.00	93910.00	63644.00	65109.00	89390.00	86138.00	85565.00	50147.00	85017.00	57247.00	104099.00	88140.00	135185.00	72507.00	46344.00	70520.00	94986.00
C12 H20 N3 O11	191907.00	195628.00	101869.00	73043.00	118882.00	68068.00	65211.00	64882.00	131640.00	133858.00	45111.00	49135.00	86822.00	53537.00	152737.00	146851.00	170780.00	167417.00	42795.00	46238.00	174643.00	141185.00	31665.00	30333.00
C47 H95 O2 S	79561.00	80106.00	69733.00	82300.00	82723.00	91117.00	88062.00	88555.00	1.00	1.00	81846.00	91682.00	82171.00	82731.00	80150.00	76960.00	83247.00	80946.00	85489.00	87292.00	81292.00	83430.00	64397.00	60041.00
C20 H41 N4 O	42227.00	23693.00	23043.00	20565.00	35924.00	41585.00	16529.00	12925.00	30191.00	30557.00	36606.00	41068.00	21988.00	17273.00	28391.00	22912.00	34865.00	19277.00	31353.00	33132.00	17498.00	19832.00	18490.00	20623.00
C26 H58 N15 O2 S	81371.00	82737.00	80119.00	75588.00	75206.00	73070.00	82895.00	90420.00	89777.00	88776.00	77201.00	70098.00	62313.00	76138.00	76236.00	82312.00	103092.00	119698.00	68948.00	76435.00	80943.00	66066.00	69738.00	68212.00
Pteroic acid	65341.00	63666.00	84921.00	81089.00	45684.00	43991.00	44853.00	46923.00	33695.00	40792.00	42615.00	45262.00	40400.00	39082.00	41348.00	44778.00	59062.00	62252.00	40969.00	39805.00	64782.00	72727.00	55950.00	57667.00
C14 H24 N7	83941.00	91788.00	71002.00	64753.00	80173.00	87351.00	40794.00	36006.00	46411.00	38957.00	62065.00	57072.00	30654.00	38927.00	28906.00	26891.00	64126.00	61438.00	82061.00	91546.00	25313.00	16643.00	27856.00	33135.00
Calomelanol D	80126.00	78251.00	69256.00	72605.00	67818.00	67844.00	68461.00	68515.00	1.00	6517.00	55231.00	58399.00	58212.00	53816.00	60599.00	64475.00	63864.00	69013.00	51325.00	51776.00	63882.00	73065.00	43838.00	38782.00
C16 H36 N3 O4	97282.00	106428.00	126762.00	101384.00	100458.00	118467.00	95844.00	100845.00	114707.00	109305.00	97640.00	120350.00	104403.00	140116.00	100685.00	105177.00	101823.00	100697.00	136506.00	123054.00	87011.00	99168.00	93064.00	103967.00
C4 H9 N	97856.00	100673.00	35866.00	39333.00	35152.00	32421.00	21841.00	29470.00	28880.00	30981.00	29020.00	31207.00	30596.00	29750.00	74582.00	75325.00	51252.00	56666.00	32834.00	34396.00	30040.00	30959.00	28313.00	31728.00
14R-hydroxy-11Z-eicosenoic acid	54266.00	52608.00	28498.00	19463.00	57394.00	56471.00	40800.00	50987.00	32014.00	37688.00	33206.00	35632.00	40491.00	42241.00	31955.00	33920.00	23178.00	30141.00	84123.00	88562.00	16109.00	18651.00	27412.00	31754.00
C9 H20 O4	414648.00	69928.00	319043.00	317302.00	387188.00	397542.00	325510.00	350227.00	330131.00	266563.00	58687.00	348569.00	341773.00	327641.00	35643.00	323048.00	294731.00	306330.00	322723.00	86558.00	281256.00	295244.00	286223.00	22534.00
C40 H10 N6	65705.00	65305.00	90024.00	68048.00	85503.00	65290.00	68145.00	66876.00	68096.00	67597.00	81623.00	60909.00	73123.00	63277.00	80977.00	62845.00	63844.00	60924.00	58561.00	55869.00	71524.00	62564.00	106434.00	53652.00
C16 H35 N O10	55944.00	60633.00	47192.00	51389.00	49206.00	55168.00	50690.00	54474.00	92007.00	87487.00	49703.00	59054.00	52919.00	53641.00	53611.00	58355.00	53487.00	53893.00	57982.00	57759.00	50671.00	54625.00	53750.00	61206.00
C41 H78 Cl N5 O	83035.00	70819.00	92065.00	78455.00	81391.00	81962.00	79865.00	83613.00	1.00	1.00	77279.00	84683.00	82135.00	82350.00	80908.00	82367.00	82883.00	83338.00	73286.00	80036.00	82540.00	75675.00	52059.00	55423.00
N-acyl capnines Esi+12.408998	127253.00	130841.00	98017.00	83042.00	114005.00	133941.00	80781.00	75242.00	164555.00	161587.00	101569.00	79610.00	105933.00	98229.00	95607.00	100289.00	135747.00	126797.00	81825.00	79673.00	103954.00	109882.00	81096.00	85796.00
stigmast-5-en-3beta-ol 3-0-beta-D-glucopyranoside	137640.00	122945.00	147203.00	131343.00	115690.00	144191.00	131146.00	119621.00	129891.00	132519.00	126719.00	132557.00	126447.00	110889.00	131968.00	123523.00	116025.00	116520.00	131593.00	132021.00	112115.00	140115.00	114729.00	156718.00
C5 H4 Cl2 N2 O3 S	13439.00	12028.00	6613.00	7226.00	15886.00	15763.00	16194.00	15223.00	8527.00	7591.00	14318.00	10611.00	12296.00	14138.00	86020.00	84550.00	10271.00	11497.00	30215.00	29648.00	10296.00	10326.00	17090.00	17395.00
C31 H57 N11 O3	84159.00	86201.00	82493.00	89824.00	96474.00	85845.00	82706.00	93846.00	64464.00	83315.00	72412.00	86423.00	95289.00	84451.00	80300.00	77264.00	78005.00	82218.00	88011.00	85546.00	61240.00	89261.00	79173.00	84310.00
?-Hexalactone Esi+9.522998	68344.00	55193.00	88913.00	94855.00	61983.00	63868.00	61482.00	64986.00	42075.00	41441.00	46779.00	49238.00	43723.00	44311.00	50695.00	48568.00	58959.00	58538.00	53844.00	52960.00	79267.00	76229.00	72552.00	74370.00
Fraxin Esi+13.640005	61697.00	60478.00	69030.00	56504.00	65321.00	57589.00	56872.00	52791.00	64643.00	45606.00	84567.00	42291.00	53896.00	50911.00	64114.00	50262.00	54031.00	52580.00	51442.00	55109.00	49781.00	52182.00	94329.00	61078.00
C27 H55 N8 O7 S	15739.00	15984.00	16453.00	12898.00	14919.00	15729.00	17536.00	17287.00	16431.00	15846.00	92909.00	94382.00	16589.00	14168.00	20503.00	19298.00	16240.00	14880.00	13840.00	13784.00	14997.00	14565.00	19145.00	17551.00
C32 H43 N3 O	68896.00	97226.00	60043.00	73128.00	80250.00	65434.00	72115.00	67586.00	93110.00	65866.00	60254.00	75368.00	56574.00	61949.00	59755.00	82841.00	64214.00	67508.00	69350.00	69381.00	53779.00	64730.00	73354.00	98147.00
C9 H13 O5	276427.00	282420.00	297076.00	298048.00	304689.00	295035.00	327230.00	323498.00	14740.00	14474.00	312664.00	314491.00	358503.00	367590.00	216578.00	214088.00	362078.00	365172.00	235481.00	227369.00	272052.00	267546.00	134300.00	136311.00
C41 H83 N8 O10	64833.00	79660.00	74987.00	71705.00	106506.00	83698.00	132109.00	64307.00	93811.00	111331.00	75666.00	71355.00	59261.00	117159.00	67126.00	68920.00	69522.00	108349.00	77925.00	67698.00	58518.00	61799.00	71755.00	110783.00
C23 H43 N O6 Esi+8.9349985	21980.00	21348.00	64255.00	60427.00	132265.00	129109.00	217454.00	221810.00	70768.00	76564.00	58889.00	51742.00	113587.00	111659.00	341114.00	332816.00	70531.00	69743.00	28681.00	32237.00	40243.00	41055.00	49199.00	47847.00
C12 H2 Cl2 N O2 S3	100137.00	98897.00	93435.00	98167.00	100337.00	100212.00	99813.00	97288.00	14928.00	16841.00	94571.00	94816.00	97087.00	94256.00	119314.00	122265.00	85867.00	92031.00	98797.00	91155.00	92193.00	91127.00	78904.00	74088.00
3-Furoic acid	100446.00	91712.00	64692.00	65971.00	85888.00	74102.00	78901.00	83058.00	1.00	1.00	73309.00	72865.00	71165.00	73644.00	78776.00	79690.00	80930.00	80421.00	74593.00	75233.00	82963.00	82872.00	53794.00	51039.00
5-Hydroxysulfapyridine	89553.00	92911.00	62534.00	62513.00	63113.00	72622.00	42588.00	36145.00	8439.00	8838.00	46817.00	45458.00	55381.00	57504.00	42997.00	43119.00	52980.00	53572.00	42163.00	46515.00	54691.00	62538.00	46508.00	43415.00
C7 H2 O11 S Esi+0.8400001 :1	199969.00	201308.00	200973.00	199530.00	196163.00	190965.00	198630.00	185153.00	47587.00	47176.00	185959.00	180094.00	177681.00	176454.00	164694.00	165337.00	163474.00	161528.00	182952.00	182592.00	165378.00	166758.00	156378.00	158234.00
2-Thiopheneacetic acid, 5-(hydroxyphenylmethyl)-?-methyl-	86762.00	82822.00	80974.00	82156.00	80837.00	72288.00	71786.00	71251.00	1.00	1.00	68545.00	72451.00	72864.00	66774.00	92063.00	90578.00	81478.00	77199.00	62876.00	67840.00	80698.00	87889.00	50011.00	43280.00
Harzianopyridone	134480.00	99315.00	96289.00	102340.00	106536.00	106874.00	93449.00	102062.00	75217.00	95106.00	99221.00	86067.00	90139.00	98430.00	100827.00	94640.00	93294.00	111142.00	90886.00	87436.00	89807.00	94261.00	88990.00	91268.00
C31 H10 N5 O3	78070.00	67789.00	88469.00	69281.00	90711.00	69648.00	77718.00	65914.00	81303.00	66812.00	83051.00	71690.00	77437.00	69770.00	83347.00	60527.00	73021.00	62186.00	75109.00	59341.00	81128.00	64069.00	103145.00	61160.00
C13 H Cl3 O3 S3	89885.00	90852.00	91624.00	92079.00	85657.00	89093.00	95507.00	90938.00	6263.00	8072.00	87682.00	90931.00	90823.00	85404.00	86093.00	87835.00	87402.00	88923.00	88670.00	86726.00	87045.00	86327.00	69323.00	65403.00
C15 H27 O15	87990.00	87913.00	63958.00	62961.00	47387.00	47856.00	32885.00	34855.00	8749.00	8072.00	41455.00	39418.00	38638.00	47424.00	55568.00	54193.00	60935.00	56113.00	51498.00	50400.00	35729.00	35562.00	24507.00	22292.00
C34 H59 N5 S Esi+12.798003	210317.00	207516.00	149486.00	137073.00	202753.00	215437.00	148546.00	102493.00	245440.00	255265.00	121907.00	121798.00	151806.00	234414.00	155516.00	153993.00	268796.00	247368.00	125748.00	102112.00	145330.00	162867.00	143224.00	140261.00
C34 H60 N9 O4	92949.00	94495.00	88836.00	95835.00	94576.00	87857.00	86695.00	98797.00	94167.00	100995.00	79222.00	82468.00	89681.00	84292.00	90196.00	97303.00	94274.00	101433.00	93069.00	90238.00	86796.00	85041.00	90246.00	94298.00
Obtusilic acid Esi+4.7340007	51661.00	48888.00	5532.00	12155.00	28335.00	26764.00	12296.00	13311.00	39133.00	31667.00	26330.00	26896.00	34779.00	31924.00	1.00	9474.00	16541.00	19985.00	75939.00	82382.00	1.00	1.00	1.00	14797.00
C12 H14 N4 O	69246.00	67884.00	87489.00	86099.00	57977.00	54247.00	59776.00	59875.00	37839.00	38815.00	43328.00	46497.00	41720.00	41783.00	54306.00	52376.00	64756.00	61424.00	47537.00	53525.00	72363.00	73340.00	67214.00	60453.00
2R-aminoheptanoic acid Esi+1.2450002	50090.00	52321.00	32655.00	39845.00	36076.00	36373.00	38605.00	50446.00	38743.00	49757.00	38643.00	35408.00	38749.00	43500.00	52209.00	50010.00	44399.00	36677.00	32619.00	35118.00	27306.00	29835.00	26902.00	28245.00
Metamitron	113848.00	89704.00	84317.00	88667.00	93325.00	89347.00	79408.00	92135.00	96949.00	100028.00	91411.00	98431.00	93920.00	101528.00	89704.00	112736.00	130538.00	119988.00	85990.00	63166.00	85437.00	110902.00	83830.00	85428.00
C44 H12 N13	61683.00	60007.00	73211.00	58784.00	73401.00	60124.00	60015.00	57347.00	58809.00	58299.00	76566.00	56709.00	64602.00	56891.00	67245.00	60308.00	56785.00	55597.00	53512.00	53492.00	62962.00	58653.00	99052.00	53688.00
3-hydroxy-dodecanedioic acid Esi+9.4140005	51080.00	47639.00	70332.00	63110.00	45455.00	47636.00	48109.00	45626.00	30944.00	22494.00	28569.00	26833.00	36040.00	31114.00	37457.00	35773.00	28757.00	38625.00	39785.00	38203.00	49566.00	49695.00	54641.00	52101.00
C38 H73 N9 O4 S	77774.00	72590.00	86845.00	87179.00	86381.00	86023.00	81084.00	84944.00	1.00	1.00	77549.00	78696.00	86666.00	84217.00	88197.00	92055.00	92105.00	86393.00	77467.00	68064.00	81046.00	87681.00	50246.00	58333.00
Linoleoyl Ethanolamide	77992.00	67678.00	103991.00	93460.00	82838.00	76901.00	77176.00	73679.00	53566.00	81983.00	62775.00	92288.00	63063.00	80691.00	75357.00	54578.00	50192.00	67010.00	75956.00	74324.00	77683.00	82303.00	86001.00	76013.00
C12 H7 N5 O	31356.00	34141.00	31375.00	29857.00	39812.00	37503.00	10246.00	8606.00	1.00	1.00	1.00	1.00	36496.00	35454.00	87453.00	84690.00	75748.00	75043.00	32393.00	31075.00	54889.00	57180.00	30176.00	32454.00
C39 H79 N7 O3	87873.00	89076.00	96906.00	99795.00	92767.00	93184.00	87398.00	90891.00	1.00	1.00	88239.00	87836.00	89900.00	93534.00	89708.00	91350.00	83156.00	88625.00	88273.00	87345.00	97187.00	82953.00	67872.00	69564.00
C26 H16 N2	61099.00	63779.00	69666.00	72882.00	62087.00	68351.00	54022.00	56799.00	1.00	1.00	67197.00	63146.00	66748.00	66735.00	86865.00	87986.00	78776.00	84187.00	65456.00	65081.00	91328.00	94587.00	35627.00	34568.00
5,2',4',5'-Tetrahydroxy-3-(3-hydroxy-3-methylbutyl)-6'',6''-dimethylpyrano[2'',3'':7,8]flavone Esi+10.242002	73378.00	69620.00	46223.00	50797.00	72299.00	71157.00	47394.00	44670.00	89793.00	84434.00	48542.00	45501.00	57852.00	51191.00	55703.00	52256.00	70989.00	69848.00	45142.00	43743.00	61301.00	59634.00	43278.00	45705.00
C5 H Cl3 N3 O3 S	93724.00	87269.00	85391.00	85989.00	83522.00	86608.00	80813.00	81751.00	8305.00	8777.00	72766.00	77380.00	79836.00	76783.00	77149.00	84514.00	77796.00	80144.00	71220.00	76635.00	75625.00	75924.00	62967.00	58692.00
C23 H51 N14	97128.00	116092.00	96967.00	126515.00	130646.00	129235.00	102410.00	114199.00	139825.00	117944.00	118470.00	119099.00	116315.00	106875.00	84816.00	116642.00	119740.00	112642.00	100918.00	150202.00	119823.00	102139.00	127336.00	128215.00
C35 H53 N9 O2	132747.00	139521.00	149725.00	138252.00	143650.00	131428.00	128951.00	115604.00	152486.00	152619.00	116798.00	140246.00	113769.00	98251.00	138302.00	128852.00	124049.00	127178.00	110213.00	139583.00	130887.00	129899.00	125641.00	103684.00
C25 H51 N8 O2	82005.00	63544.00	44369.00	73155.00	101119.00	87358.00	28212.00	95902.00	115579.00	110224.00	77962.00	92587.00	60015.00	73811.00	84425.00	119735.00	104011.00	104711.00	59679.00	99871.00	67669.00	104692.00	74940.00	92577.00
cholesteryl beta-D-glucoside	88357.00	69239.00	63987.00	72576.00	68382.00	73394.00	65866.00	69020.00	81794.00	68238.00	84366.00	74798.00	78753.00	69857.00	77217.00	64215.00	79421.00	74929.00	98907.00	73103.00	64568.00	64994.00	70681.00	68638.00
C18 H3 O4 S2	98756.00	94974.00	22136.00	24479.00	70317.00	69566.00	74074.00	74255.00	96264.00	88724.00	54550.00	58310.00	46482.00	39242.00	12156.00	1.00	14919.00	1.00	43802.00	42175.00	16272.00	13325.00	35835.00	36982.00
N-Acetyl-D-quinovosamine	43081.00	43478.00	42272.00	38462.00	48723.00	44176.00	59938.00	61062.00	1.00	1.00	43014.00	42530.00	52797.00	51180.00	56178.00	56227.00	77660.00	78330.00	77247.00	72622.00	82221.00	91638.00	60394.00	54445.00
C24 H54 N23 O	89505.00	86756.00	83039.00	78647.00	75613.00	69113.00	83675.00	98736.00	90331.00	85091.00	72566.00	70383.00	84365.00	85499.00	80427.00	76559.00	76249.00	83778.00	77191.00	70852.00	73910.00	86520.00	81572.00	81182.00
C20 H Cl N4 O10 S5	80802.00	83040.00	84209.00	87430.00	86405.00	87970.00	83606.00	86164.00	6983.00	7095.00	88014.00	87023.00	87549.00	83299.00	74775.00	79858.00	73393.00	77526.00	89362.00	87563.00	83888.00	82324.00	70207.00	66548.00
C13 H27 N4 O	41943.00	58102.00	28146.00	22379.00	71185.00	64043.00	28030.00	24422.00	88268.00	92884.00	59593.00	52659.00	32260.00	33343.00	38017.00	30502.00	35553.00	25508.00	82687.00	82104.00	31138.00	40130.00	55095.00	43820.00
C21 H20 N12 O12	40153.00	43917.00	26687.00	25630.00	42837.00	40164.00	23917.00	24698.00	88262.00	92843.00	46527.00	49037.00	55613.00	58412.00	44648.00	46598.00	33970.00	29294.00	16414.00	18088.00	24256.00	21657.00	29941.00	26764.00
Asp-Trp-OH	88739.00	94557.00	103897.00	98202.00	105063.00	85918.00	88937.00	85581.00	87484.00	86005.00	115548.00	92445.00	99946.00	81498.00	93016.00	85317.00	82710.00	79466.00	80749.00	79784.00	90174.00	82492.00	109751.00	73553.00
C36 H73 N8 O8	139865.00	130352.00	75643.00	85641.00	166885.00	171066.00	78091.00	77866.00	178695.00	249336.00	73740.00	84337.00	114813.00	93347.00	113172.00	112909.00	150510.00	153327.00	84233.00	70664.00	106051.00	105838.00	93131.00	81802.00
C33 H71 N11 O S2	87482.00	78695.00	92880.00	84237.00	105449.00	97510.00	89600.00	102683.00	61440.00	100478.00	89741.00	119911.00	95033.00	87549.00	85797.00	52610.00	89305.00	93350.00	99388.00	96695.00	71722.00	51888.00	100995.00	86901.00
C31 H63 N8 O4	117927.00	108549.00	111831.00	105380.00	73236.00	102928.00	119145.00	95718.00	107156.00	115121.00	80710.00	124088.00	113420.00	99391.00	109688.00	93120.00	105488.00	75243.00	108192.00	108484.00	120990.00	86050.00	94222.00	83877.00
C4 H5 O S	77679.00	84739.00	25234.00	22504.00	73799.00	73079.00	89985.00	93224.00	54569.00	51589.00	79963.00	75107.00	64921.00	62391.00	15092.00	15583.00	25338.00	19887.00	92856.00	96913.00	21763.00	20804.00	60079.00	58125.00
C23 H50 N20 O	84941.00	84082.00	69290.00	69588.00	75321.00	77499.00	72519.00	81270.00	95956.00	90170.00	71738.00	80844.00	92814.00	79645.00	90191.00	87035.00	105516.00	110902.00	77915.00	73653.00	62790.00	73045.00	69771.00	79764.00
C20 H43 N4 O2 Esi+13.4299965	117046.00	104091.00	45094.00	76909.00	130082.00	43971.00	141841.00	106206.00	47945.00	328234.00	107875.00	91218.00	135244.00	127600.00	70521.00	68086.00	78739.00	327910.00	110815.00	53844.00	41032.00	132588.00	98358.00	1.00
C12 H2 N2 O12 S2 Esi+0.8360003	185069.00	187546.00	174507.00	167574.00	181724.00	175788.00	179349.00	180499.00	43873.00	47225.00	172473.00	178222.00	162406.00	168104.00	150305.00	153926.00	153696.00	160163.00	172870.00	171210.00	164185.00	161348.00	151209.00	145393.00
2-Phenylbutyrolactone Esi+11.628	115482.00	137778.00	113171.00	121741.00	118605.00	130469.00	114245.00	126226.00	151072.00	163179.00	132233.00	118833.00	107992.00	131951.00	111969.00	131512.00	99421.00	108413.00	118116.00	115300.00	120403.00	117069.00	110448.00	226925.00
Piperidine	99198.00	89394.00	43349.00	47383.00	43727.00	41337.00	1.00	1.00	1.00	1.00	1.00	1.00	32697.00	38175.00	73770.00	73673.00	57031.00	53315.00	37529.00	40078.00	36645.00	42270.00	34424.00	1.00
1,3-Dipropyl-8-cyclopentylxanthine [DPCPX]	36917.00	58166.00	110985.00	114739.00	309219.00	317086.00	248177.00	253286.00	123028.00	123750.00	96658.00	91514.00	213300.00	222387.00	287537.00	300537.00	115073.00	121383.00	78341.00	87571.00	80112.00	81727.00	82516.00	79177.00
C27 H34 N9 O2	63772.00	60578.00	35703.00	36432.00	55019.00	50809.00	89711.00	90151.00	59614.00	57396.00	38362.00	35904.00	52614.00	55885.00	53022.00	38670.00	62725.00	58368.00	44675.00	35532.00	55581.00	58127.00	60242.00	50153.00
C26 H43 N S	102598.00	99805.00	82572.00	94578.00	80166.00	95708.00	102772.00	96050.00	134730.00	89368.00	88970.00	95616.00	92872.00	87960.00	98552.00	78272.00	86383.00	96050.00	93470.00	92651.00	93142.00	118913.00	92822.00	87429.00
PGI3	81770.00	78394.00	20538.00	19089.00	25477.00	22966.00	27620.00	21087.00	13006.00	9339.00	16534.00	19563.00	22896.00	25782.00	26813.00	27783.00	35290.00	33560.00	40477.00	35398.00	41165.00	40806.00	24866.00	23116.00
2,4,6,8,10-dodecapentaenal	78784.00	75959.00	59938.00	62681.00	66088.00	66639.00	57073.00	58939.00	21311.00	15974.00	59826.00	55394.00	55045.00	58065.00	62904.00	68858.00	57634.00	62983.00	53546.00	45417.00	52553.00	57894.00	47072.00	53298.00
L-NMMA	91140.00	87901.00	79695.00	79809.00	76478.00	71427.00	58261.00	48181.00	18724.00	18119.00	71436.00	51612.00	63112.00	67729.00	103590.00	97968.00	90359.00	94054.00	62721.00	69050.00	50339.00	49451.00	32264.00	37704.00
C16 H35 N O4	61198.00	64116.00	41448.00	38763.00	58604.00	62356.00	66358.00	60116.00	66128.00	68462.00	59676.00	63597.00	42116.00	42136.00	44878.00	43738.00	25817.00	26578.00	65697.00	71001.00	50751.00	49263.00	54339.00	56577.00
C38 H77 N8 O9 Esi+12.688997	94414.00	98670.00	56034.00	59344.00	114732.00	123299.00	52053.00	51719.00	126312.00	114744.00	55763.00	51408.00	68218.00	70182.00	79224.00	85782.00	110288.00	101414.00	63089.00	52916.00	68478.00	70226.00	54124.00	61867.00
C53 H85 N2 O2	75737.00	73424.00	72724.00	72954.00	80078.00	83889.00	74529.00	74743.00	1.00	1.00	80621.00	75342.00	69665.00	74000.00	73914.00	75315.00	74765.00	71359.00	78258.00	75480.00	78088.00	78497.00	58202.00	59326.00
C3 H4 N2 S2	40127.00	30124.00	78009.00	75348.00	59088.00	51377.00	45510.00	42797.00	1.00	1.00	39625.00	40619.00	52554.00	49513.00	89047.00	90558.00	73911.00	77002.00	49118.00	47638.00	66979.00	73090.00	38259.00	37405.00
C23 H43 N2 O3	50947.00	41448.00	43300.00	45346.00	56264.00	48141.00	44878.00	32817.00	39767.00	40462.00	48530.00	48359.00	38227.00	34937.00	37498.00	84617.00	45077.00	46306.00	39566.00	50274.00	31673.00	38903.00	36858.00	33675.00
C23 H43 N8 O8	81158.00	77500.00	81279.00	79848.00	89533.00	78053.00	78445.00	80526.00	77225.00	83606.00	80069.00	72770.00	77316.00	77615.00	76908.00	77855.00	75905.00	87289.00	89003.00	73512.00	82484.00	84169.00	87966.00	73872.00
(3R)-3-isopropenyl-6-oxoheptanoic acid	84725.00	97737.00	96386.00	46512.00	39038.00	64396.00	27094.00	72923.00	84379.00	67302.00	52748.00	136319.00	94403.00	84385.00	77227.00	46596.00	84448.00	72255.00	43580.00	65709.00	29373.00	51721.00	94445.00	69909.00
C30 H65 N11 S2	61346.00	57695.00	66190.00	54899.00	74529.00	69080.00	59033.00	55121.00	73989.00	59016.00	58873.00	46993.00	34372.00	59629.00	62278.00	54919.00	34593.00	53407.00	45605.00	84954.00	39722.00	55271.00	58937.00	44761.00
Deoxytubulosine	24275.00	28363.00	27094.00	27484.00	23446.00	29367.00	31597.00	30282.00	27017.00	31042.00	83853.00	87369.00	24483.00	22025.00	29594.00	30424.00	29605.00	25210.00	24780.00	25724.00	25615.00	25045.00	28946.00	27520.00
1a,1b-dihomo-PGE1	57253.00	46663.00	58611.00	56585.00	48902.00	42200.00	38445.00	50755.00	235998.00	60695.00	69686.00	63958.00	57975.00	50429.00	58997.00	51797.00	46466.00	48555.00	57844.00	59947.00	57370.00	49980.00	62479.00	46847.00
Allylmalonic acid	99380.00	102384.00	77073.00	70122.00	72627.00	71788.00	86241.00	82300.00	12197.00	12994.00	73251.00	71949.00	75821.00	70935.00	96824.00	90527.00	85936.00	87092.00	68781.00	67872.00	95947.00	96578.00	52867.00	58720.00
C9 H26 N5 O9 S	64025.00	60810.00	58193.00	59262.00	65727.00	64246.00	59403.00	59950.00	68302.00	61701.00	58254.00	58436.00	57890.00	58601.00	59447.00	55988.00	56171.00	63152.00	58277.00	55488.00	63939.00	62731.00	68092.00	67736.00
Nupharidine	59813.00	57433.00	57236.00	59230.00	56967.00	65622.00	68409.00	66367.00	63738.00	63060.00	46822.00	52379.00	63169.00	54527.00	60125.00	70039.00	56100.00	56173.00	52616.00	60336.00	58933.00	56663.00	55455.00	57654.00
C17 H3 Cl3 N4 O13 S5	77387.00	80732.00	69098.00	75513.00	83607.00	80350.00	73452.00	69466.00	1.00	1.00	83504.00	82723.00	82756.00	81527.00	70658.00	77900.00	79112.00	72855.00	74286.00	74425.00	66234.00	67208.00	65683.00	61424.00
Diphenylcarbazide	63595.00	58304.00	79399.00	75185.00	66380.00	64572.00	56846.00	63355.00	53282.00	45132.00	42064.00	38832.00	45116.00	45306.00	40864.00	42886.00	45017.00	47960.00	45107.00	53306.00	64949.00	54398.00	69227.00	68738.00
19-hydroxy-Resolvin E1	75007.00	71636.00	72648.00	60285.00	68211.00	72050.00	59698.00	72508.00	73035.00	61102.00	69796.00	62938.00	72491.00	66728.00	73120.00	73127.00	70071.00	72064.00	68565.00	78113.00	55887.00	62719.00	68503.00	66569.00
C18 H38 O4 Esi+12.527005	84922.00	78390.00	71015.00	78177.00	80401.00	86906.00	82351.00	69620.00	89663.00	78481.00	66409.00	54695.00	65440.00	74105.00	679485.00	67067.00	81615.00	82760.00	62630.00	56757.00	73682.00	373724.00	92134.00	69807.00
C46 H86 Cl N5 O2 S	82086.00	84513.00	74098.00	70488.00	78984.00	79316.00	73169.00	82437.00	1.00	1.00	75607.00	74512.00	78835.00	77277.00	71686.00	65696.00	78581.00	74561.00	74599.00	77197.00	73061.00	75305.00	51035.00	53769.00
Acetone cyanohydrin	72529.00	88666.00	45560.00	56534.00	56140.00	46713.00	58806.00	74396.00	16907.00	197159.00	45109.00	57922.00	81780.00	74831.00	58722.00	70583.00	53620.00	53598.00	66876.00	59057.00	42734.00	47395.00	47309.00	38067.00
N-Hydroxy-L-phenylalanine	90585.00	52748.00	65419.00	70506.00	53080.00	61887.00	64265.00	44274.00	22334.00	20584.00	53574.00	52328.00	59893.00	69615.00	69247.00	78801.00	69383.00	78932.00	61365.00	62486.00	42636.00	40930.00	55613.00	52180.00
C8 H6 Cl3 O3	31430.00	31848.00	39368.00	41395.00	37626.00	43015.00	36976.00	39005.00	19784.00	19825.00	33903.00	36230.00	35081.00	35543.00	184721.00	182943.00	37254.00	44050.00	61195.00	65866.00	35495.00	36355.00	42647.00	44434.00
Methiothepin	106430.00	97675.00	100267.00	93153.00	102314.00	92854.00	95129.00	97926.00	96615.00	101364.00	97376.00	96110.00	86592.00	89763.00	102989.00	94595.00	96424.00	96291.00	98141.00	99374.00	94967.00	89632.00	99447.00	96452.00
C20 H34 N7 Esi+11.828002	213960.00	215922.00	168478.00	167223.00	208417.00	205915.00	149729.00	141562.00	179540.00	185159.00	157501.00	152192.00	179882.00	167392.00	179031.00	170532.00	171643.00	181474.00	168162.00	168809.00	195535.00	188382.00	285949.00	274797.00
C29 H55 N O2 S	33090.00	54956.00	48730.00	87979.00	82074.00	112969.00	27403.00	74288.00	132184.00	125329.00	95456.00	81950.00	79351.00	95785.00	52414.00	55675.00	47797.00	101425.00	151419.00	34573.00	115468.00	93443.00	68949.00	84583.00
C10 H22 O3 Esi+5.7460003	61091.00	57338.00	9901.00	8115.00	27935.00	28261.00	23063.00	18684.00	30018.00	29048.00	27110.00	24582.00	35449.00	31322.00	14110.00	15470.00	18996.00	20352.00	62481.00	58889.00	1.00	12115.00	14451.00	12500.00
C36 H61 N15 O2	66869.00	81039.00	62629.00	57315.00	65495.00	171465.00	126293.00	171653.00	59323.00	60655.00	57719.00	195766.00	56999.00	53300.00	161237.00	209033.00	54350.00	198522.00	158531.00	65568.00	54535.00	149504.00	191060.00	58082.00
Piperidine Esi+1.8129998	91793.00	96529.00	89065.00	91172.00	43145.00	74675.00	57037.00	52275.00	41472.00	40636.00	58444.00	60835.00	67924.00	66721.00	142780.00	73674.00	99727.00	99070.00	66528.00	67502.00	62999.00	62867.00	75009.00	67348.00
2E,4E,8E,10E-Dodecatetraenedioic acid	86767.00	87403.00	70982.00	66055.00	62772.00	62235.00	73301.00	68142.00	82689.00	80226.00	71593.00	68921.00	61717.00	59618.00	59296.00	56588.00	48254.00	54068.00	53181.00	53685.00	50915.00	62680.00	58135.00	55673.00
Neoilludin A Esi+6.0500016 :1	206625.00	225568.00	159930.00	174884.00	266812.00	297779.00	147210.00	154640.00	566583.00	594548.00	191707.00	207722.00	295755.00	313610.00	287787.00	303613.00	484625.00	517023.00	287063.00	286363.00	429272.00	440920.00	351415.00	358489.00
3-Aminobenzamide Esi+3.333	85321.00	85733.00	76470.00	77033.00	76388.00	70235.00	70350.00	68662.00	76298.00	71757.00	74799.00	74385.00	71241.00	68940.00	71829.00	78613.00	71344.00	68432.00	75084.00	64437.00	72457.00	72062.00	76586.00	82011.00
Bis (2-hydroxypropyl) amine Esi+1.5320002	78983.00	73797.00	70163.00	60610.00	77204.00	82048.00	65152.00	69847.00	75815.00	73919.00	71271.00	69575.00	80168.00	74901.00	66076.00	69873.00	66795.00	64802.00	58019.00	69667.00	74127.00	70844.00	72297.00	68558.00
4Z-tetradecenoic acid	84712.00	76124.00	69938.00	58209.00	81600.00	61500.00	55676.00	48653.00	34633.00	97084.00	59458.00	41008.00	47569.00	73199.00	55619.00	48875.00	53247.00	38325.00	30814.00	51718.00	91715.00	78518.00	47533.00	93599.00
p-Hydroxyfelbamate	89664.00	88093.00	30717.00	40001.00	40089.00	31994.00	18394.00	19968.00	9951.00	11368.00	66700.00	62041.00	25138.00	36088.00	38077.00	36360.00	22421.00	21054.00	27340.00	29443.00	8774.00	11769.00	11627.00	10769.00
Ala Asp Ala	71710.00	61540.00	60617.00	68342.00	69377.00	72209.00	51580.00	52290.00	1.00	1.00	83887.00	78482.00	61971.00	68052.00	81846.00	74215.00	67878.00	69150.00	60397.00	65127.00	66233.00	73942.00	43548.00	45254.00
C27 H51 N O S Esi+12.962004	39577.00	42295.00	48708.00	60006.00	99760.00	185315.00	73741.00	37723.00	118959.00	125100.00	79002.00	46283.00	41935.00	71635.00	103341.00	91608.00	79936.00	82477.00	81180.00	81163.00	98072.00	77847.00	66353.00	97520.00
C51 H95	76965.00	76743.00	68915.00	61845.00	78498.00	72577.00	78310.00	79099.00	1.00	6729.00	81930.00	75220.00	82097.00	74003.00	64107.00	57101.00	68808.00	60470.00	81063.00	75007.00	69063.00	66735.00	63883.00	62695.00
C33 H69 N19 O2	78521.00	76134.00	87903.00	80504.00	87039.00	84336.00	80062.00	81171.00	1.00	1.00	80255.00	81676.00	86591.00	81071.00	87596.00	89076.00	86387.00	88190.00	74749.00	75720.00	83175.00	81463.00	59957.00	60666.00
PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	38781.00	35698.00	36192.00	34097.00	29599.00	33021.00	37509.00	36233.00	42114.00	44994.00	37649.00	36733.00	35717.00	35384.00	39437.00	39507.00	34941.00	39457.00	38900.00	37424.00	41408.00	33681.00	36710.00	35327.00
C11 H18 O4	50712.00	55346.00	71659.00	71823.00	36590.00	44284.00	42071.00	43475.00	29057.00	27231.00	32844.00	36679.00	29016.00	34055.00	25926.00	43285.00	42678.00	52946.00	34547.00	38026.00	61813.00	64582.00	62300.00	55416.00
11-lauroleic acid	73809.00	77185.00	54897.00	58589.00	64395.00	70380.00	52653.00	48929.00	60062.00	63056.00	61510.00	59467.00	63957.00	56150.00	45380.00	39492.00	53484.00	50746.00	107645.00	117204.00	41932.00	37946.00	33290.00	41695.00
C49 H84 Cl N4 O	86436.00	76622.00	75050.00	75629.00	79034.00	75707.00	73041.00	78968.00	1.00	1.00	76350.00	77090.00	74356.00	80194.00	69827.00	74022.00	78298.00	77783.00	70140.00	74766.00	75968.00	69397.00	59220.00	63857.00
C14 H18 N O15	80497.00	78092.00	47103.00	42357.00	54655.00	55576.00	53351.00	57190.00	1.00	1.00	43799.00	45280.00	44654.00	44487.00	59018.00	54771.00	61031.00	58899.00	45836.00	47202.00	56985.00	55948.00	30288.00	28940.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate Esi+10.506 :6	3525126.00	3495872.00	1795411.00	1725108.00	2727638.00	2994337.00	1428931.00	1399725.00	3130968.00	2986161.00	1417697.00	1542120.00	1684635.00	1616591.00	1450358.00	1554480.00	2037251.00	1987751.00	1211950.00	1191741.00	1560600.00	1531557.00	1122095.00	1089958.00
C16 H21 N O S	63324.00	62725.00	48047.00	43088.00	32232.00	35842.00	36744.00	32795.00	1.00	1.00	45971.00	47977.00	36468.00	36074.00	39741.00	31026.00	82398.00	82084.00	38944.00	43501.00	53151.00	53726.00	25824.00	23620.00
C18 H27 N5 O4 Esi+9.479997	37281.00	29299.00	105438.00	93426.00	52386.00	48029.00	14286.00	1.00	21529.00	20683.00	17124.00	21648.00	14581.00	16402.00	1.00	1.00	42968.00	46867.00	19974.00	20000.00	1.00	13381.00	1.00	1.00
C19 H41 N11 O	58069.00	53568.00	60586.00	67766.00	55826.00	45682.00	64995.00	50813.00	54511.00	51450.00	50551.00	54551.00	50868.00	51462.00	47785.00	68278.00	54134.00	57585.00	54347.00	41526.00	44929.00	42802.00	50579.00	51100.00
C8 H5 O S	78978.00	83095.00	90450.00	88769.00	79658.00	83682.00	78562.00	75036.00	15963.00	16548.00	78561.00	77772.00	80446.00	78111.00	86268.00	85143.00	84328.00	83029.00	68583.00	70089.00	78780.00	81482.00	62820.00	65962.00
C6 H15 N4 O3	66377.00	65890.00	45633.00	48867.00	81123.00	84243.00	81060.00	77038.00	13165.00	13915.00	58586.00	54324.00	70025.00	66668.00	41502.00	40301.00	61167.00	62665.00	76000.00	80419.00	46156.00	55481.00	63804.00	70591.00
Phytuberin	67776.00	61576.00	73636.00	78827.00	75421.00	71888.00	61609.00	63603.00	75562.00	81635.00	81475.00	80076.00	68070.00	69496.00	66060.00	47481.00	72075.00	63373.00	68263.00	70323.00	87747.00	83916.00	84429.00	59241.00
C23 H49 O S2	95646.00	102973.00	93181.00	131053.00	82974.00	130507.00	84288.00	89344.00	96951.00	99018.00	82336.00	88906.00	88981.00	85561.00	83350.00	85736.00	97137.00	75059.00	48794.00	79248.00	78160.00	83596.00	73887.00	70670.00
C7 H5 Cl3 N O6 S5	75782.00	74650.00	77464.00	77495.00	78159.00	77333.00	80292.00	72631.00	1.00	1.00	74364.00	72168.00	75428.00	70533.00	70280.00	75057.00	75612.00	74422.00	72619.00	76673.00	73832.00	73712.00	52055.00	51002.00
C10 H24 N3 O2	29124.00	28415.00	1.00	1.00	17248.00	18732.00	1.00	1.00	22032.00	23013.00	18211.00	18228.00	16177.00	18615.00	1.00	1.00	7383.00	8600.00	55671.00	65673.00	1.00	1.00	1.00	1.00
C24 H55 N4 O7	57454.00	71079.00	98473.00	60859.00	44933.00	88464.00	88412.00	97011.00	58949.00	66134.00	80779.00	55001.00	88390.00	92804.00	100928.00	68468.00	72884.00	60552.00	104264.00	139584.00	98085.00	96977.00	100239.00	55936.00
Epimedoside E	64347.00	63045.00	74468.00	63608.00	75841.00	60096.00	62379.00	59482.00	61965.00	61597.00	81131.00	60091.00	67223.00	57016.00	70285.00	61430.00	57422.00	59675.00	61559.00	58939.00	66746.00	61007.00	89802.00	57960.00
C7 H11 N5	1.00	1.00	9135.00	9900.00	34933.00	28653.00	12635.00	1.00	21403.00	14504.00	45418.00	38964.00	36187.00	47762.00	17882.00	15648.00	45862.00	60961.00	89492.00	86772.00	42686.00	34225.00	59427.00	55846.00
C25 H43 N8 O2	42638.00	37437.00	45550.00	30777.00	65046.00	51190.00	67389.00	34897.00	81407.00	50421.00	62309.00	38272.00	62043.00	49971.00	60715.00	49251.00	41821.00	23915.00	72326.00	58702.00	62001.00	36424.00	46316.00	34092.00
C27 H41 N7 O2	82196.00	74605.00	9995.00	9604.00	16770.00	1.00	15327.00	1.00	76558.00	91081.00	8221.00	10431.00	29249.00	32594.00	10944.00	16910.00	18280.00	15353.00	1.00	1.00	1.00	1.00	1.00	1.00
C42 H81 N10	68284.00	68998.00	70573.00	68313.00	70143.00	75167.00	72073.00	72988.00	1.00	1.00	68383.00	65440.00	69749.00	71145.00	63126.00	67551.00	65121.00	63448.00	70050.00	71638.00	63306.00	66991.00	53614.00	51246.00
C6 H2 N3 O2	136343.00	142373.00	96499.00	92020.00	101886.00	101968.00	114743.00	107028.00	92563.00	95650.00	103592.00	108671.00	93645.00	94440.00	73624.00	85298.00	79446.00	87161.00	99075.00	92317.00	99353.00	102295.00	82706.00	94650.00
N,N-Diethylphenylacetamide	68391.00	71003.00	58042.00	48794.00	52914.00	46207.00	61583.00	58346.00	70193.00	64838.00	65264.00	66377.00	39144.00	47638.00	46759.00	49391.00	43179.00	44830.00	37626.00	43325.00	51105.00	53165.00	57032.00	51323.00
C13 H8 N O12 S4	83575.00	86067.00	75514.00	79417.00	80551.00	77501.00	76034.00	79322.00	20784.00	18488.00	80851.00	76441.00	77515.00	72024.00	65163.00	67501.00	75215.00	69867.00	80255.00	80282.00	67879.00	69029.00	69370.00	67375.00
C25 H51 N8 O	82111.00	73774.00	76729.00	62947.00	76861.00	67440.00	86135.00	83169.00	84277.00	85972.00	75005.00	82621.00	90823.00	82270.00	67599.00	79708.00	81547.00	79559.00	88715.00	83909.00	74418.00	77078.00	70689.00	59698.00
C29 H57 N19 O3	126968.00	123111.00	104022.00	128584.00	145171.00	71158.00	97757.00	56838.00	108007.00	106063.00	124172.00	132812.00	126612.00	102016.00	110649.00	95330.00	79658.00	120168.00	95413.00	133397.00	86988.00	85511.00	45487.00	74582.00
2(3H)-Furanone Esi+1.2490002	122803.00	118853.00	77286.00	124320.00	111952.00	86259.00	91307.00	94176.00	57581.00	50312.00	99977.00	106267.00	97546.00	122928.00	166989.00	154718.00	112857.00	114670.00	130993.00	129224.00	124951.00	135007.00	82784.00	75584.00
C12 H18 N3 O3	51614.00	52241.00	51936.00	46717.00	40182.00	52944.00	50220.00	46669.00	39651.00	38229.00	41664.00	49771.00	49135.00	41374.00	50629.00	42365.00	47817.00	47912.00	46995.00	45350.00	38055.00	36712.00	44335.00	48422.00
C12 H10 Cl2 N3 O4 S5	93803.00	94681.00	75544.00	76278.00	86151.00	87320.00	85423.00	87006.00	21682.00	23402.00	88276.00	85592.00	82230.00	79209.00	74311.00	69777.00	73694.00	71220.00	80958.00	81239.00	72944.00	75560.00	64415.00	66914.00
C27 H56 N3 O5 S	81966.00	78306.00	74448.00	63651.00	66038.00	60104.00	62499.00	81188.00	84452.00	80263.00	73256.00	53393.00	51649.00	61998.00	80128.00	74866.00	100681.00	107752.00	64333.00	72004.00	66897.00	59772.00	63246.00	72660.00
C36 H51	111238.00	92484.00	91086.00	91338.00	86464.00	85765.00	101219.00	68699.00	104111.00	70327.00	82156.00	82712.00	108632.00	62254.00	81641.00	84446.00	82701.00	81270.00	66682.00	80695.00	73429.00	92536.00	72880.00	87336.00
C36 H59 N2 O10	9858.00	9620.00	10193.00	10446.00	8702.00	11045.00	10339.00	10502.00	11314.00	12876.00	77947.00	77686.00	10717.00	9633.00	12042.00	14008.00	10078.00	10161.00	8530.00	10337.00	9402.00	1.00	12611.00	13407.00
C18 H10 N8 O2	60801.00	55231.00	75832.00	56196.00	73958.00	53984.00	60206.00	56082.00	62929.00	58272.00	69894.00	55687.00	66650.00	58474.00	63640.00	47379.00	53883.00	50065.00	55401.00	52499.00	66032.00	50619.00	90609.00	48356.00
C10 H6 N4 O4	1.00	1.00	20189.00	16917.00	19844.00	21314.00	14410.00	16241.00	1.00	1.00	11457.00	10238.00	1.00	21336.00	24901.00	22745.00	30575.00	64832.00	19382.00	15268.00	25263.00	28952.00	28128.00	27425.00
Cer(d18:0/22:0)	71047.00	67979.00	80587.00	76699.00	78138.00	75357.00	76614.00	75748.00	1.00	1.00	73214.00	74793.00	79233.00	75904.00	81417.00	75820.00	74373.00	76836.00	70312.00	67211.00	77512.00	78997.00	54314.00	51484.00
8-methylcaffeine	86642.00	70594.00	57838.00	68577.00	71486.00	76459.00	65167.00	67747.00	87127.00	87368.00	65706.00	67663.00	52856.00	69076.00	75821.00	72652.00	60614.00	92989.00	69566.00	80335.00	63656.00	68432.00	55790.00	72246.00
C43 H81 N8 O4	67301.00	62052.00	67252.00	69144.00	78262.00	67552.00	72267.00	68095.00	1.00	1.00	68242.00	72061.00	72249.00	71407.00	67623.00	68137.00	67156.00	67167.00	68099.00	68079.00	59930.00	71649.00	54849.00	44120.00
l-2-hydroxy-decanoic acid Esi+5.1549993 :1	342011.00	294156.00	235031.00	201138.00	230652.00	213578.00	212017.00	229967.00	182573.00	166505.00	171767.00	165607.00	224931.00	183454.00	204306.00	204483.00	218738.00	234414.00	275115.00	347537.00	155132.00	151303.00	147390.00	146967.00
Triacanthine Esi+3.7630002	43299.00	38075.00	52813.00	59144.00	47100.00	47204.00	21004.00	25962.00	1.00	1.00	48786.00	45257.00	30252.00	32695.00	44038.00	52021.00	54090.00	58413.00	58471.00	62172.00	77063.00	74664.00	38397.00	35282.00
C17 H45 N11 O9	22079.00	25130.00	19617.00	19275.00	19313.00	17892.00	24120.00	20742.00	32656.00	29698.00	80360.00	81048.00	25796.00	19631.00	24271.00	25781.00	21558.00	19082.00	17730.00	23322.00	18173.00	19202.00	22836.00	22772.00
N-Phenyl-2-naphthylamine	46538.00	48485.00	34838.00	40649.00	75733.00	70479.00	37954.00	38423.00	1.00	1.00	55366.00	58000.00	50966.00	43235.00	1.00	1.00	33239.00	32777.00	10073.00	1.00	1.00	1.00	14474.00	12885.00
C45 H79 N2 O6 S	66810.00	62562.00	38413.00	44796.00	81602.00	77365.00	41672.00	39881.00	84518.00	72851.00	43783.00	46403.00	49929.00	47696.00	58793.00	61785.00	72211.00	77414.00	49789.00	57132.00	57610.00	53097.00	45096.00	46204.00
C6 H8 N3 O5 Esi+1.3120002	282228.00	283714.00	176635.00	182275.00	197626.00	239242.00	439536.00	218479.00	1.00	1.00	1.00	267973.00	279719.00	248353.00	209421.00	291164.00	231801.00	245294.00	1.00	331420.00	226109.00	1.00	202521.00	187025.00
Aspergillic acid	76858.00	73340.00	59998.00	61007.00	60430.00	62309.00	58174.00	60344.00	51650.00	55894.00	67152.00	76096.00	65664.00	67811.00	50540.00	73225.00	65337.00	58287.00	54012.00	65578.00	57579.00	63420.00	65346.00	69139.00
S-(N-Hydroxy-N-methylcarbamoyl)glutathione	43133.00	37616.00	41396.00	45088.00	39358.00	40337.00	38639.00	41252.00	49143.00	50789.00	42485.00	37565.00	40835.00	40773.00	38690.00	35697.00	40070.00	36290.00	38411.00	38288.00	39292.00	38409.00	38684.00	32366.00
C13 H8 N5 O8 S4	137048.00	139434.00	124434.00	122173.00	135687.00	134097.00	127526.00	132244.00	29704.00	30105.00	134523.00	133555.00	122121.00	122610.00	110993.00	106532.00	113393.00	110904.00	123049.00	120815.00	115557.00	120016.00	95669.00	101927.00
C7 H16 N7 O5	77046.00	83358.00	20784.00	19419.00	22523.00	23190.00	16585.00	15716.00	71285.00	69493.00	19396.00	19950.00	21255.00	22743.00	16509.00	16362.00	15079.00	18992.00	20045.00	18306.00	20245.00	19294.00	15967.00	14201.00
C46 H89 N2	66019.00	62764.00	54565.00	59168.00	62259.00	64985.00	69052.00	63521.00	1.00	1.00	61869.00	65064.00	64388.00	70222.00	53907.00	56267.00	56530.00	54952.00	71158.00	68680.00	61393.00	64225.00	51526.00	46875.00
C53 H79 N O12	84108.00	82134.00	84205.00	78915.00	82948.00	90903.00	90364.00	83561.00	83648.00	89171.00	82089.00	89140.00	81150.00	80342.00	74076.00	92853.00	77898.00	74118.00	85799.00	85096.00	80832.00	73386.00	82916.00	95979.00
C27 H53 N19 O2	216500.00	221271.00	156761.00	186721.00	50478.00	147390.00	51818.00	101958.00	177932.00	183936.00	54982.00	134056.00	173755.00	171621.00	119179.00	173688.00	170525.00	135651.00	161637.00	114636.00	159395.00	163911.00	127879.00	148653.00
10-amino-decanoic acid	1.00	1.00	23087.00	18197.00	34445.00	35707.00	1.00	1.00	11765.00	11102.00	35845.00	41371.00	1.00	1.00	1.00	1.00	1.00	1.00	75298.00	73121.00	1.00	1.00	1.00	1.00
C32 H61 N15 O	108406.00	137592.00	64170.00	94684.00	132044.00	107996.00	71218.00	102631.00	99614.00	87372.00	98503.00	84679.00	67245.00	61912.00	71821.00	78650.00	116452.00	74639.00	107991.00	79611.00	91499.00	64327.00	100594.00	75087.00
C13 H20 N	50697.00	50355.00	11684.00	6768.00	30947.00	28863.00	25114.00	27426.00	33488.00	33810.00	29660.00	29417.00	45314.00	34684.00	15609.00	17292.00	23112.00	16767.00	66500.00	64998.00	10114.00	13878.00	21125.00	21900.00
C24 H35 N	75315.00	107347.00	94965.00	75494.00	74730.00	103317.00	103173.00	75962.00	69798.00	104688.00	75363.00	81052.00	103786.00	68761.00	73031.00	63440.00	69618.00	87100.00	91310.00	64740.00	80978.00	77961.00	71702.00	77665.00
Magnoshinin	776742.00	763316.00	470225.00	465496.00	717262.00	689227.00	366147.00	352473.00	740327.00	746813.00	395382.00	400891.00	436976.00	433021.00	459436.00	441711.00	563163.00	541032.00	339258.00	341321.00	442206.00	444027.00	323464.00	313355.00
C19 H45 N4 O5	72962.00	78671.00	68981.00	46819.00	78052.00	71436.00	56521.00	70513.00	55939.00	78647.00	71074.00	73371.00	73812.00	71483.00	76135.00	75586.00	71781.00	66863.00	79863.00	77590.00	68773.00	56487.00	77350.00	61634.00
C5 H8 N3 O4	40982.00	32700.00	54872.00	52692.00	41409.00	43142.00	52497.00	48229.00	1.00	1.00	45801.00	44533.00	44479.00	41804.00	54438.00	61466.00	41071.00	48239.00	34535.00	37729.00	60499.00	57390.00	22224.00	22579.00
Cynometrine	64622.00	62246.00	71599.00	70597.00	67825.00	69380.00	46673.00	49513.00	1.00	1.00	61537.00	59319.00	68512.00	63469.00	32531.00	37261.00	54260.00	58922.00	52618.00	51082.00	58255.00	59579.00	50656.00	49819.00
C32 H71 N4 O11	36517.00	37511.00	27164.00	25201.00	32187.00	23727.00	32747.00	29305.00	32264.00	42969.00	37177.00	30805.00	30563.00	22909.00	84397.00	75403.00	34586.00	42139.00	31476.00	30935.00	36972.00	16593.00	45899.00	27534.00
C53 H73 N4	68392.00	65016.00	76067.00	77814.00	67655.00	70119.00	72426.00	74371.00	1.00	1.00	65453.00	66855.00	72074.00	69850.00	68837.00	75361.00	71244.00	76466.00	61300.00	61363.00	67155.00	71746.00	54697.00	57844.00
C37 H69 N5 S	66417.00	70749.00	79107.00	82559.00	75247.00	69687.00	70851.00	70063.00	1.00	1.00	67940.00	70622.00	69976.00	73363.00	77231.00	76476.00	71818.00	73909.00	63586.00	62453.00	71380.00	70778.00	50650.00	49150.00
2-Protocatechoylphloroglucinolcarboxylate Esi+2.6889997	78465.00	79179.00	22559.00	22951.00	29336.00	32392.00	27686.00	26125.00	1.00	1.00	19508.00	21217.00	16451.00	17493.00	95156.00	100136.00	56555.00	58611.00	36200.00	33389.00	37101.00	38118.00	26162.00	30623.00
C38 H66 N6 O6	74386.00	77897.00	75261.00	77835.00	79587.00	77557.00	73036.00	91096.00	68640.00	78538.00	67546.00	65348.00	76058.00	69193.00	75993.00	75984.00	75024.00	80110.00	71741.00	75907.00	78294.00	85148.00	76567.00	69645.00
dodecanamide	76153.00	73333.00	72922.00	65500.00	71664.00	76446.00	75040.00	66030.00	74939.00	71376.00	71980.00	68236.00	59627.00	51057.00	64897.00	58964.00	53847.00	54865.00	58873.00	58609.00	61896.00	62234.00	55042.00	54729.00
C18 N O13 S2	99522.00	104146.00	97826.00	100346.00	105895.00	99782.00	100367.00	98732.00	11543.00	13216.00	102805.00	99009.00	96653.00	95210.00	90686.00	89551.00	93108.00	90712.00	99878.00	97266.00	89604.00	93306.00	74501.00	78148.00
Ferimzone Esi+7.733998	68180.00	61124.00	63062.00	60450.00	63507.00	54776.00	55170.00	56262.00	60808.00	58228.00	64294.00	58261.00	57503.00	56413.00	54600.00	58682.00	54265.00	55166.00	57574.00	53326.00	55751.00	48242.00	57017.00	53577.00
C35 H61 N5 S	65023.00	67211.00	55008.00	38993.00	92654.00	64900.00	54380.00	42662.00	53438.00	61854.00	67283.00	29541.00	62532.00	51236.00	96084.00	82515.00	68429.00	40066.00	80924.00	59446.00	35985.00	57219.00	42229.00	77349.00
C13 H4 N2 O6 S	69365.00	64652.00	67675.00	70464.00	72621.00	68733.00	60498.00	61595.00	1.00	1.00	76513.00	76364.00	61172.00	65330.00	68238.00	68897.00	65417.00	64047.00	64547.00	59149.00	68744.00	66522.00	40063.00	40603.00
C16 H23 N5 O3	17646.00	15455.00	68806.00	71573.00	37674.00	38206.00	1.00	1.00	15418.00	1.00	14544.00	19028.00	1.00	1.00	1.00	1.00	38909.00	42035.00	1.00	1.00	1.00	1.00	1.00	1.00
C38 H56 N11	73281.00	76596.00	68157.00	61654.00	64522.00	77655.00	64844.00	71231.00	76411.00	76967.00	48816.00	56460.00	53236.00	58458.00	76125.00	79294.00	93529.00	95210.00	69006.00	64199.00	66161.00	54206.00	63431.00	57001.00
C9 H21 N	66696.00	59963.00	80143.00	80051.00	56421.00	49633.00	70684.00	75841.00	41220.00	48147.00	43337.00	44619.00	44199.00	41884.00	62387.00	66216.00	49972.00	44183.00	62848.00	54249.00	74088.00	79495.00	53546.00	52505.00
C35 H67 N15 O2	125737.00	99985.00	76840.00	94828.00	107641.00	102557.00	93443.00	90452.00	102528.00	75326.00	46202.00	104662.00	104433.00	98714.00	96217.00	111670.00	74211.00	88520.00	95603.00	71324.00	101391.00	79109.00	87355.00	85702.00
Iretol	77581.00	82005.00	70147.00	77241.00	86576.00	83486.00	79658.00	73366.00	64508.00	79542.00	73515.00	85650.00	68752.00	81231.00	63953.00	72612.00	66517.00	103232.00	67279.00	79610.00	52821.00	64657.00	71328.00	67216.00
C6 H14 N O8	39433.00	25946.00	50524.00	52584.00	42641.00	56122.00	39646.00	34063.00	1.00	1.00	63793.00	53277.00	47549.00	50503.00	45957.00	37339.00	37878.00	34304.00	56293.00	55322.00	47252.00	48838.00	47260.00	43816.00
C17 H36 N4 O5	36656.00	26338.00	1.00	1.00	15788.00	12380.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	70139.00	85556.00	36344.00	36009.00	1.00	12609.00	1.00	1.00	1.00	1.00
C13 H22 O6 Esi+8.701997	2531316.00	2447478.00	3394626.00	3447828.00	1798245.00	1754944.00	1806046.00	1820455.00	1441066.00	1392427.00	1761961.00	1744897.00	1520140.00	1481988.00	1607715.00	1632967.00	2405356.00	2429886.00	1595382.00	1674571.00	2771915.00	2773417.00	2168484.00	2224429.00
Stovaine	74972.00	77076.00	73320.00	71997.00	71942.00	68691.00	64084.00	59930.00	59401.00	66015.00	71894.00	62999.00	59882.00	68476.00	69609.00	65104.00	70553.00	66275.00	67955.00	64032.00	66519.00	73027.00	60235.00	65216.00
C28 H53 N O3 S	79024.00	79650.00	74945.00	83914.00	73368.00	79789.00	75103.00	78572.00	75364.00	67681.00	75455.00	74639.00	73395.00	78656.00	63600.00	67196.00	67860.00	65230.00	63195.00	68529.00	68574.00	65253.00	64075.00	69395.00
C20 H37 N O5	91977.00	95931.00	140587.00	137109.00	35704.00	33918.00	101348.00	97209.00	62792.00	58458.00	28876.00	86211.00	58723.00	20775.00	42530.00	97325.00	33466.00	104895.00	102089.00	39031.00	125696.00	47313.00	85373.00	29033.00
C48 H93 O4	63816.00	59945.00	64859.00	65438.00	67738.00	68440.00	74384.00	68840.00	1.00	1.00	66733.00	68842.00	76807.00	65130.00	54815.00	62426.00	63765.00	59802.00	63301.00	64419.00	58125.00	68338.00	49042.00	49501.00
C36 H50 N S	102274.00	54704.00	61106.00	31349.00	49873.00	40955.00	47011.00	34507.00	52571.00	39917.00	55496.00	58488.00	61550.00	58814.00	60480.00	57620.00	50527.00	48000.00	52515.00	50231.00	51982.00	49274.00	39011.00	48158.00
C23 H3 Cl3 O5 S3	70448.00	69387.00	66756.00	70681.00	74649.00	71980.00	74327.00	69589.00	6862.00	9873.00	73916.00	79150.00	71979.00	68863.00	65115.00	67007.00	68319.00	66818.00	75592.00	74000.00	66646.00	61960.00	58891.00	52529.00
C19 H36 N7 Esi+11.259002	18465.00	17211.00	17925.00	13704.00	19780.00	19950.00	18275.00	17162.00	23294.00	20439.00	55577.00	57645.00	14510.00	19386.00	19206.00	20602.00	19175.00	16131.00	17489.00	17433.00	14214.00	14951.00	24886.00	16746.00
C43 H85 N6 S	62802.00	57527.00	65731.00	66240.00	61170.00	63905.00	59321.00	64615.00	1.00	1.00	65220.00	63350.00	68066.00	70817.00	61392.00	62743.00	59134.00	56071.00	61376.00	61435.00	60308.00	54818.00	46488.00	44532.00
C36 H58 N13 O	52062.00	56506.00	52111.00	59076.00	48887.00	68411.00	58082.00	68869.00	61449.00	62211.00	41831.00	60671.00	53100.00	49293.00	62122.00	55570.00	74975.00	81593.00	82006.00	67463.00	40530.00	48093.00	62752.00	47553.00
C21 H2 Cl2 N6 O3 S5	70757.00	72117.00	66612.00	64526.00	72564.00	66202.00	69700.00	69385.00	6955.00	5929.00	65185.00	64256.00	64085.00	58122.00	59003.00	59974.00	62034.00	59505.00	64368.00	69999.00	66461.00	56811.00	58458.00	53564.00
L-Glutamate	17422.00	15861.00	37356.00	35022.00	31967.00	31474.00	24557.00	18947.00	1.00	1.00	16132.00	18076.00	32265.00	32786.00	39298.00	43375.00	34476.00	29666.00	24441.00	22589.00	34131.00	32045.00	17328.00	22029.00
C18 H39 N O11	48460.00	48794.00	42301.00	47742.00	44578.00	44274.00	45178.00	44844.00	67145.00	73048.00	44029.00	46893.00	40281.00	45369.00	44918.00	46151.00	40998.00	45815.00	47805.00	46548.00	43993.00	49463.00	42026.00	43975.00
C12 H17 N5 O3 S	35587.00	34151.00	20810.00	23292.00	24722.00	21495.00	22243.00	20626.00	1.00	1.00	17844.00	15806.00	23353.00	20476.00	63602.00	58998.00	38135.00	38226.00	41233.00	41374.00	46543.00	43261.00	32217.00	25839.00
C30 H53 N15 O7	73025.00	74938.00	64749.00	69772.00	69806.00	73864.00	67464.00	72303.00	69853.00	68213.00	64251.00	67812.00	67006.00	64531.00	71542.00	63926.00	67158.00	70594.00	74781.00	66458.00	65166.00	75385.00	73619.00	64485.00
O6-Methyl-2'-deoxyguanosine Esi+1.5289998	67472.00	70201.00	67361.00	68775.00	65190.00	65930.00	67735.00	64055.00	1.00	1.00	61517.00	62180.00	62484.00	61231.00	63120.00	59726.00	64443.00	63304.00	57283.00	57811.00	52151.00	49594.00	42510.00	44941.00
C14 H3 Cl N4 O2 S4 Esi+0.8439999	147869.00	154029.00	145897.00	146462.00	145968.00	151474.00	147756.00	146687.00	18667.00	17498.00	150449.00	156518.00	152179.00	143430.00	134331.00	129736.00	139334.00	127636.00	153536.00	137845.00	134615.00	141595.00	118725.00	111608.00
C5 H7 Cl O S5	68091.00	56752.00	77764.00	72344.00	59847.00	55746.00	58108.00	51057.00	1.00	1.00	41492.00	47261.00	61480.00	52891.00	66343.00	69745.00	65542.00	67053.00	42507.00	53424.00	68070.00	74719.00	39381.00	35485.00
D-Biotin	75228.00	72122.00	71942.00	79795.00	67354.00	73864.00	69414.00	64431.00	68138.00	75522.00	68519.00	73670.00	75792.00	76073.00	63206.00	79212.00	65529.00	80187.00	68631.00	71479.00	73998.00	70779.00	65912.00	67507.00
3-Methylcytosine Esi+1.254	55521.00	50817.00	47710.00	43090.00	46862.00	42580.00	61497.00	59799.00	23597.00	31750.00	43422.00	54128.00	199481.00	195375.00	62670.00	58694.00	247192.00	247141.00	261435.00	272488.00	62682.00	228342.00	45362.00	36151.00
C18 H7 Cl3 N2 O10 S5	72292.00	73381.00	68680.00	69537.00	80039.00	72206.00	75493.00	74521.00	7906.00	1.00	69476.00	67581.00	67851.00	69394.00	62061.00	70717.00	60162.00	65153.00	73736.00	76057.00	74876.00	65543.00	56625.00	53484.00
C20 H43 N10 O	65154.00	55756.00	63173.00	88935.00	59176.00	55491.00	43823.00	52386.00	61395.00	78821.00	50503.00	71014.00	120797.00	60730.00	58401.00	47239.00	59735.00	63426.00	46037.00	74262.00	39705.00	51572.00	88148.00	64419.00
Piperidine Esi+2.1609995	80972.00	101695.00	61709.00	54095.00	54472.00	52688.00	31956.00	37979.00	26528.00	25987.00	40588.00	41578.00	42705.00	48635.00	88317.00	90884.00	66426.00	69015.00	48744.00	58518.00	51858.00	55927.00	44883.00	30523.00
C9 H2 Cl2 N S3	72035.00	77714.00	66868.00	70133.00	67511.00	72455.00	70694.00	69447.00	13296.00	11926.00	63235.00	68557.00	65392.00	62313.00	59328.00	67912.00	65291.00	61352.00	69293.00	68421.00	67390.00	62198.00	55527.00	54827.00
C26 H55 N11 O2	67241.00	96052.00	75373.00	52814.00	66073.00	77325.00	75155.00	43571.00	62296.00	62642.00	65020.00	57889.00	57048.00	50068.00	67641.00	74679.00	68668.00	50130.00	75038.00	53373.00	53262.00	46735.00	64613.00	57739.00
C4 H5 N O Esi+1.2409997	43809.00	53328.00	36836.00	30054.00	39171.00	25052.00	43714.00	31205.00	9310.00	19449.00	62991.00	37970.00	29576.00	30927.00	46110.00	55248.00	27613.00	42882.00	38739.00	31370.00	24132.00	28715.00	26971.00	1.00
Queuine	70679.00	72556.00	42566.00	42785.00	40244.00	37981.00	34293.00	34362.00	1.00	1.00	17889.00	20200.00	34297.00	34673.00	49567.00	50405.00	45033.00	40849.00	54889.00	56696.00	31332.00	31291.00	28263.00	26000.00
C30 H43 N9	55262.00	72599.00	74151.00	62524.00	70671.00	56091.00	61412.00	86717.00	50722.00	60129.00	56883.00	58000.00	60710.00	54488.00	59873.00	65818.00	72566.00	80042.00	65179.00	63543.00	78645.00	58675.00	56929.00	51647.00
C8 H4 O3	70252.00	67011.00	71092.00	67055.00	78894.00	75019.00	72496.00	74622.00	74228.00	75045.00	66204.00	67970.00	65731.00	63889.00	61562.00	59480.00	65983.00	61922.00	74774.00	62278.00	64063.00	64320.00	61095.00	66557.00
C5 H8 N5 O	58654.00	71270.00	74350.00	73588.00	62512.00	71403.00	70905.00	60015.00	65261.00	69815.00	69903.00	77222.00	68567.00	78140.00	72165.00	78868.00	71992.00	64869.00	59484.00	70907.00	66544.00	72679.00	74132.00	80733.00
C14 H21 N5 O2 Esi+8.487	68570.00	58812.00	73476.00	74756.00	42620.00	38817.00	40498.00	38921.00	38042.00	39876.00	46820.00	37748.00	42717.00	34778.00	33043.00	38137.00	56744.00	62174.00	39590.00	39416.00	56014.00	53014.00	43488.00	42579.00
C32 H61 N O3 S	39331.00	96329.00	88839.00	95088.00	67493.00	39200.00	84261.00	135588.00	92588.00	112347.00	83726.00	75893.00	28889.00	58854.00	62867.00	113320.00	74419.00	104390.00	60114.00	56016.00	81872.00	48980.00	63640.00	87281.00
C30 H57 N15 O	139348.00	134848.00	96394.00	87855.00	150361.00	151547.00	80800.00	72180.00	167016.00	157477.00	90917.00	90464.00	105567.00	104026.00	102411.00	99020.00	135292.00	149450.00	85342.00	75777.00	120771.00	106298.00	96903.00	85855.00
C36 H67 N19 O2	65921.00	74452.00	68149.00	66075.00	68543.00	68421.00	67978.00	63941.00	1.00	1.00	63026.00	65992.00	72700.00	72011.00	69363.00	72141.00	67082.00	64208.00	68007.00	57464.00	60071.00	65762.00	49036.00	51649.00
C17 H27 N5	54450.00	57481.00	59130.00	56333.00	47503.00	58049.00	58875.00	57070.00	55975.00	47711.00	59560.00	53180.00	59252.00	59124.00	48597.00	52532.00	52901.00	56267.00	54085.00	59511.00	53809.00	52928.00	52490.00	55635.00
C24 H44 N4 O4	7238.00	1.00	1.00	1.00	38173.00	35565.00	1.00	7151.00	10494.00	10983.00	74897.00	74853.00	1.00	9045.00	20843.00	22210.00	1.00	7721.00	27092.00	25679.00	1.00	1.00	1.00	1.00
C15 N O11 S2 Esi+0.8430003	150672.00	157237.00	150835.00	147505.00	153968.00	150874.00	149368.00	150023.00	20728.00	20499.00	150722.00	151729.00	141097.00	148632.00	125398.00	135976.00	134281.00	139694.00	145065.00	151515.00	133464.00	140652.00	123704.00	118350.00
C25 H53 N11 O2	53053.00	73651.00	61143.00	91545.00	93411.00	76009.00	142700.00	97972.00	78919.00	75087.00	90807.00	79397.00	89994.00	71959.00	89771.00	84200.00	71379.00	31855.00	104887.00	124345.00	57518.00	79645.00	71183.00	89413.00
C17 H4 N5 O3 S	64361.00	67401.00	27722.00	30003.00	48632.00	47005.00	23919.00	22033.00	1.00	1.00	35776.00	35220.00	42417.00	44241.00	63077.00	62214.00	50077.00	48401.00	36929.00	36237.00	34960.00	35414.00	22940.00	23096.00
C13 H2 O9 S	6254.00	7893.00	7988.00	1.00	12817.00	13757.00	10835.00	14112.00	1.00	1.00	9540.00	10032.00	10352.00	9549.00	59755.00	53851.00	8795.00	7948.00	21361.00	22121.00	9770.00	10561.00	8959.00	8488.00
C13 H30 N3 O3	45594.00	34953.00	38354.00	31793.00	44109.00	42636.00	41827.00	36355.00	40923.00	44216.00	75594.00	72116.00	31722.00	32880.00	36142.00	38009.00	41610.00	36671.00	38260.00	36393.00	33115.00	35970.00	39749.00	30649.00
Asp Asp Trp	66088.00	64723.00	72257.00	64467.00	69802.00	58750.00	66612.00	62262.00	63088.00	64369.00	78927.00	62766.00	68663.00	59530.00	72783.00	63416.00	64299.00	66886.00	61930.00	60608.00	70635.00	62692.00	87110.00	62314.00
Lys Met Lys	1.00	1.00	11266.00	19881.00	35334.00	31372.00	25070.00	44723.00	34096.00	29962.00	19637.00	29227.00	21652.00	21083.00	66071.00	69568.00	18690.00	33917.00	1.00	1.00	1.00	1.00	1.00	1.00
10-hydroxy-8E-Decene-2,4,6-triynoic acid	70199.00	71132.00	61572.00	65743.00	58387.00	56718.00	62660.00	64490.00	75657.00	74490.00	52993.00	69091.00	52773.00	56274.00	51742.00	56001.00	50564.00	53467.00	49339.00	45794.00	56185.00	51325.00	53945.00	61786.00
C11 N2 O9 S2	84095.00	77155.00	78506.00	81965.00	78039.00	79644.00	83013.00	76752.00	10909.00	13007.00	81762.00	81816.00	75544.00	77386.00	70621.00	77845.00	76071.00	68469.00	75344.00	79123.00	73844.00	77634.00	61558.00	65690.00
beta-hydroarchaetidylethanolamine	60925.00	62188.00	60342.00	57964.00	64202.00	61285.00	57632.00	64040.00	1.00	1.00	61037.00	66826.00	57779.00	60514.00	53630.00	56037.00	52917.00	55203.00	64040.00	66889.00	59344.00	62406.00	46821.00	46459.00
S-Glutathionyl-L-cysteine	81601.00	82084.00	23432.00	24533.00	24431.00	24002.00	22225.00	19428.00	8308.00	9955.00	1.00	22292.00	27145.00	31008.00	35597.00	42932.00	25468.00	24145.00	21158.00	20592.00	19829.00	15854.00	8445.00	8295.00
L-Ascorbic acid-2-glucoside	61816.00	60989.00	53875.00	48857.00	66727.00	60460.00	61849.00	62627.00	1.00	1.00	54828.00	58379.00	54581.00	52859.00	66369.00	67426.00	57697.00	54107.00	53265.00	52989.00	72838.00	73540.00	37223.00	37016.00
C21 O13 S5	60980.00	61930.00	59888.00	62199.00	63007.00	56819.00	66392.00	57243.00	1.00	1.00	67243.00	68056.00	59419.00	57690.00	49929.00	58599.00	56858.00	53708.00	63788.00	61493.00	57010.00	58714.00	46834.00	50152.00
11,12-Dihydroxybenzo[a]pyrene	35634.00	36738.00	27461.00	27258.00	31033.00	33680.00	32526.00	38747.00	1.00	1.00	27459.00	29287.00	33134.00	26061.00	67743.00	66286.00	42377.00	40735.00	37005.00	37615.00	39249.00	38291.00	26103.00	25523.00
Triphenyl phosphate	63504.00	71894.00	70994.00	68164.00	61141.00	65979.00	67385.00	68615.00	58255.00	63636.00	65416.00	63417.00	68236.00	57669.00	53847.00	65178.00	62431.00	65896.00	64299.00	59473.00	57277.00	60054.00	55430.00	56661.00
C50 H89 N O3 S	59266.00	60125.00	62419.00	62369.00	64263.00	67105.00	63625.00	61447.00	1.00	1.00	65257.00	64935.00	65440.00	61681.00	58641.00	58686.00	64081.00	65563.00	69803.00	62465.00	62441.00	61563.00	46847.00	49627.00
Phosphoenol-4-deoxy-3-tetrulosonate	6169.00	15724.00	73750.00	70923.00	16169.00	6981.00	15217.00	9448.00	8364.00	14904.00	6004.00	10251.00	6059.00	10287.00	11287.00	21145.00	7244.00	12163.00	12713.00	17640.00	13878.00	6206.00	7731.00	11590.00
catechol disulfonate	53930.00	56527.00	71888.00	71434.00	67990.00	64203.00	59185.00	62013.00	9301.00	11467.00	66221.00	59871.00	92979.00	62601.00	82587.00	81281.00	66780.00	48431.00	53478.00	53831.00	90562.00	88584.00	25140.00	43953.00
L-Homotyrosine	21059.00	19670.00	32250.00	36165.00	21114.00	24395.00	34640.00	31980.00	1.00	1.00	22682.00	23150.00	34266.00	32907.00	51721.00	52831.00	33715.00	32600.00	42103.00	41094.00	21054.00	21622.00	67157.00	76175.00
C21 H33 N5	59272.00	66285.00	58606.00	66062.00	76464.00	68300.00	68335.00	68958.00	71418.00	64776.00	63370.00	59588.00	62676.00	118952.00	63933.00	68047.00	70018.00	112449.00	66628.00	67211.00	71626.00	49660.00	125012.00	75437.00
C27 H55 N8 O4 Esi+12.265004	81383.00	117089.00	83897.00	74246.00	81087.00	79755.00	82938.00	53339.00	80559.00	83254.00	93910.00	121172.00	82161.00	54612.00	76282.00	66986.00	81106.00	77133.00	85943.00	76067.00	86009.00	67161.00	65808.00	77361.00
C29 H41 N O2	85417.00	76872.00	56752.00	70898.00	72945.00	78117.00	67536.00	87174.00	56829.00	72348.00	67011.00	76122.00	60131.00	51372.00	61163.00	63891.00	56406.00	78752.00	83930.00	56555.00	62901.00	66455.00	71029.00	67751.00
C40 H81 N5	66699.00	61537.00	71473.00	65405.00	64522.00	66030.00	66394.00	62629.00	1.00	1.00	56672.00	66131.00	67223.00	64577.00	61065.00	64832.00	65799.00	67488.00	61094.00	59881.00	60965.00	65581.00	48907.00	40847.00
C18 H24 N10 O9	56677.00	54505.00	33533.00	35468.00	39461.00	40648.00	29997.00	30350.00	74784.00	74193.00	30474.00	28935.00	46410.00	49017.00	42624.00	41938.00	48988.00	47323.00	28763.00	26657.00	37896.00	40458.00	43198.00	43891.00
C38 H77 N8 O9 Esi+12.6900015	116495.00	91797.00	54897.00	47089.00	126306.00	113520.00	73118.00	48784.00	119285.00	111665.00	49053.00	53409.00	62942.00	70269.00	91977.00	102278.00	115470.00	109318.00	51911.00	47181.00	71894.00	82810.00	60071.00	61191.00
Dopaxanthin	58267.00	52179.00	62021.00	51263.00	63892.00	55685.00	57425.00	51346.00	63940.00	53006.00	59621.00	55163.00	56901.00	48579.00	56928.00	49332.00	59601.00	48899.00	55155.00	51013.00	58344.00	47044.00	60832.00	48027.00
C11 H35 N11 S	69723.00	67540.00	54912.00	60125.00	58173.00	62961.00	63879.00	50218.00	65304.00	61549.00	58056.00	60703.00	58022.00	58823.00	61599.00	54874.00	59515.00	48791.00	57130.00	60587.00	60077.00	68061.00	65156.00	59307.00
C48 H89 Cl2 N4 O S	60771.00	61249.00	61014.00	58743.00	59227.00	62911.00	61705.00	60486.00	1.00	1.00	65281.00	59955.00	61450.00	59840.00	52899.00	56272.00	53889.00	58040.00	63856.00	61090.00	58476.00	60030.00	43028.00	44095.00
C3 H8 O2 S	40423.00	40754.00	27854.00	26817.00	46217.00	47257.00	44984.00	44539.00	1.00	1.00	37128.00	39005.00	66943.00	75369.00	49891.00	54599.00	18154.00	17033.00	28446.00	26856.00	53093.00	51213.00	23813.00	28933.00
C6 H8 N2 O2	38750.00	36850.00	23079.00	28184.00	37084.00	41948.00	40243.00	38912.00	1.00	11384.00	57439.00	54630.00	44462.00	43623.00	57720.00	55165.00	52108.00	58933.00	42092.00	42109.00	36428.00	34975.00	36173.00	34938.00
N-oleoyl tyrosine	48745.00	58955.00	31744.00	28980.00	33336.00	37001.00	29286.00	35763.00	34203.00	37010.00	40732.00	36412.00	27139.00	32630.00	21969.00	32399.00	38206.00	32457.00	31848.00	45295.00	35379.00	33755.00	42286.00	43664.00
C12 H18 N3 O3 Esi+8.544003	39844.00	38579.00	40284.00	45714.00	42022.00	46639.00	38997.00	38097.00	34508.00	34439.00	39575.00	37306.00	35289.00	34716.00	38414.00	41694.00	37417.00	44472.00	40856.00	35738.00	29863.00	37959.00	43831.00	38603.00
C28 H42 N7 O10	62152.00	123524.00	43420.00	119427.00	91670.00	48260.00	45249.00	43320.00	93357.00	54874.00	35946.00	42029.00	37002.00	32546.00	31209.00	36825.00	103651.00	73092.00	52650.00	31501.00	47692.00	32167.00	40023.00	44407.00
C18 H38 O4 Esi+11.135	22418.00	17015.00	22197.00	21018.00	16579.00	17523.00	21566.00	24333.00	24472.00	21228.00	57042.00	60381.00	19634.00	20688.00	23380.00	22700.00	21441.00	20766.00	16149.00	16120.00	20425.00	21848.00	20879.00	21518.00
C3 H7 N2 O4	78614.00	80582.00	18066.00	3601811.00	84110.00	78380.00	75593.00	64430.00	43811.00	37897.00	62860.00	60581.00	63600.00	64179.00	4279103.00	30286.00	3763501.00	34682.00	17466.00	35833.00	39598.00	41548.00	39104.00	36572.00
Di-n-propylphthalate	67530.00	63837.00	61839.00	61747.00	60374.00	59997.00	53811.00	53393.00	64826.00	62696.00	56467.00	54000.00	63061.00	60861.00	52742.00	55434.00	54396.00	56508.00	55113.00	57353.00	61311.00	54788.00	61773.00	55229.00
Sophoracoumestan B	68883.00	66102.00	54996.00	52476.00	55620.00	47599.00	47879.00	52501.00	16847.00	15777.00	38255.00	37759.00	50292.00	48134.00	48524.00	50519.00	41863.00	44031.00	46198.00	42914.00	28070.00	31317.00	30298.00	33381.00
C17 H26 N S	65208.00	74495.00	62997.00	80558.00	84608.00	69247.00	75802.00	69239.00	62545.00	69299.00	69685.00	69803.00	90891.00	66905.00	72937.00	66463.00	86255.00	70849.00	75525.00	91750.00	97112.00	128218.00	68055.00	110660.00
C30 H57 N28 O2 S	70782.00	66829.00	68032.00	63563.00	73012.00	71482.00	71590.00	71344.00	1.00	1.00	67491.00	73075.00	71853.00	70329.00	65489.00	70232.00	67399.00	66420.00	69123.00	70719.00	66569.00	70140.00	47446.00	53818.00
C6 H15 N2 O3	67057.00	65632.00	26549.00	25687.00	38784.00	33225.00	31193.00	34679.00	34161.00	35338.00	22844.00	18240.00	29560.00	26982.00	46538.00	51957.00	37621.00	39699.00	38832.00	41111.00	27046.00	23391.00	1.00	18848.00
4-Amino-2-nitrophenol	79648.00	78557.00	74719.00	71380.00	73808.00	75924.00	75741.00	76770.00	65900.00	84129.00	80184.00	80106.00	76467.00	79967.00	73618.00	82804.00	75418.00	67994.00	69194.00	75729.00	69361.00	78140.00	78495.00	74616.00
3-Deoxo-3?-Hydroxymexicanolide 16-Enol Ether	50973.00	49430.00	32708.00	30530.00	44176.00	44767.00	74905.00	79862.00	49786.00	48752.00	37445.00	34496.00	50805.00	47061.00	42561.00	41739.00	52985.00	56800.00	36803.00	37701.00	51954.00	47478.00	49954.00	48728.00
C28 H28 N11 O	43328.00	41671.00	23900.00	23560.00	32811.00	34785.00	71071.00	69188.00	43613.00	43751.00	25234.00	23361.00	37101.00	39144.00	28915.00	27774.00	40234.00	40980.00	26552.00	28183.00	40550.00	38667.00	36601.00	42024.00
Nojirimycin Esi+1.0	400151.00	410194.00	74630.00	43529.00	87946.00	84801.00	73530.00	81388.00	57390.00	56873.00	75819.00	71620.00	57903.00	60860.00	74696.00	78793.00	57680.00	73668.00	290750.00	268813.00	65033.00	339313.00	223146.00	211768.00
C8 H2 O7 S2	86814.00	88966.00	50341.00	48521.00	99068.00	84043.00	82244.00	89803.00	29893.00	27722.00	82104.00	85200.00	76634.00	74582.00	56325.00	48948.00	36573.00	38718.00	86029.00	78786.00	54736.00	49842.00	52516.00	58021.00
C7 H3 Cl N2 O3 S5	69946.00	71111.00	48677.00	53513.00	56145.00	52446.00	56770.00	61138.00	22800.00	22907.00	57155.00	52044.00	58750.00	56176.00	47003.00	42955.00	46226.00	47042.00	61921.00	57352.00	45576.00	42938.00	48843.00	47401.00
C55 H81 O4	63403.00	60079.00	63394.00	67950.00	68385.00	59477.00	68446.00	68314.00	1.00	1.00	64842.00	67866.00	65467.00	63404.00	65309.00	61841.00	63224.00	60950.00	63077.00	64612.00	63172.00	61544.00	44505.00	47472.00
Brugine	86968.00	82440.00	59739.00	63035.00	73257.00	75954.00	75535.00	81301.00	1.00	1.00	59843.00	67814.00	67215.00	65685.00	82975.00	81306.00	92849.00	94425.00	100228.00	90159.00	100122.00	96204.00	79714.00	66846.00
Bisindolylmaleimide I	65672.00	70684.00	50440.00	37891.00	69618.00	62116.00	35636.00	31577.00	72356.00	69062.00	37663.00	38165.00	42117.00	43115.00	40171.00	42125.00	52995.00	53369.00	37194.00	44071.00	39544.00	38001.00	30791.00	27793.00
C17 Sphinganine Esi+9.5390005	22234.00	21059.00	21869.00	20305.00	29100.00	26392.00	18131.00	14987.00	29258.00	63653.00	60364.00	64659.00	19098.00	17731.00	17369.00	19275.00	19476.00	19237.00	37627.00	36132.00	21268.00	9487.00	19119.00	22701.00
16?-Hydroxy-17-epistanozolol	64328.00	63219.00	69534.00	58159.00	72980.00	64083.00	56277.00	59143.00	65742.00	58119.00	57174.00	51883.00	60907.00	62421.00	56136.00	50370.00	67185.00	61991.00	59144.00	54297.00	55278.00	53848.00	49146.00	51217.00
C11 H25 N O	58940.00	49821.00	41103.00	46356.00	65599.00	67708.00	17850.00	20050.00	23017.00	23644.00	44399.00	45252.00	22194.00	24899.00	7183.00	6932.00	36777.00	30973.00	35677.00	38364.00	12768.00	12459.00	20409.00	19162.00
L-Homoserine lactone	39208.00	27489.00	31852.00	36515.00	29579.00	18418.00	34214.00	34581.00	9753.00	14467.00	34736.00	35994.00	28128.00	43133.00	49141.00	54130.00	35196.00	76349.00	31794.00	40920.00	36064.00	37626.00	21766.00	20428.00
2-methyl-dodecanedioic acid	68388.00	58946.00	42965.00	57577.00	74875.00	58328.00	49847.00	53917.00	73334.00	78343.00	64091.00	72769.00	54930.00	63518.00	46484.00	54150.00	65979.00	50964.00	64552.00	52268.00	70348.00	57181.00	48629.00	58504.00
C24 H51 N6 O	69670.00	86823.00	75196.00	80728.00	80332.00	78843.00	77813.00	76254.00	82613.00	80163.00	74735.00	75127.00	72666.00	83987.00	80220.00	94799.00	72609.00	90383.00	77465.00	78982.00	71893.00	75738.00	73296.00	89872.00
4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol	38714.00	37956.00	24461.00	25734.00	36878.00	31827.00	40139.00	38370.00	1.00	10717.00	40471.00	55091.00	44284.00	44180.00	57521.00	57338.00	52337.00	55846.00	42529.00	44268.00	34890.00	35867.00	37726.00	36185.00
Acetyl-DL-Valine	62601.00	55508.00	43074.00	43701.00	64919.00	66845.00	41371.00	41882.00	28868.00	27949.00	55665.00	61430.00	56365.00	49465.00	23379.00	18958.00	26452.00	30337.00	11233.00	8090.00	95940.00	96474.00	11577.00	17221.00
C19 Cl2 N2 O12 S5	69894.00	70665.00	56720.00	61877.00	65613.00	68316.00	63045.00	62717.00	1.00	1.00	65282.00	61577.00	62045.00	56737.00	53244.00	55197.00	53285.00	53034.00	62135.00	63604.00	52879.00	53180.00	44754.00	48950.00
CAY10574	52500.00	47399.00	39267.00	38974.00	47603.00	45588.00	35690.00	42140.00	1.00	1.00	33838.00	36954.00	42043.00	39664.00	49970.00	57110.00	50427.00	46318.00	45215.00	41138.00	63012.00	60435.00	28109.00	30520.00
C3 O5	16716.00	20498.00	9757.00	10535.00	19997.00	21025.00	24614.00	19488.00	13356.00	15728.00	13472.00	18909.00	19378.00	19921.00	21986.00	21285.00	12091.00	9820.00	35528.00	35589.00	11788.00	10222.00	21793.00	18395.00
C9 H9 Cl2 N2 O6 S3	45586.00	46146.00	14871.00	16318.00	52269.00	51778.00	52084.00	49776.00	61231.00	65617.00	50233.00	47896.00	50291.00	50323.00	11219.00	11692.00	16202.00	19876.00	57301.00	64351.00	23268.00	26205.00	46868.00	50528.00
1?,25-dihydroxy-11?-(2-hydroxyethyl)vitamin D3 / 1?,25-dihydroxy-11?-(2-hydroxyethyl)cholecalciferol	49475.00	56886.00	45032.00	53193.00	59291.00	54776.00	45897.00	50351.00	48286.00	53260.00	47882.00	54055.00	43186.00	44767.00	50957.00	51800.00	38211.00	57099.00	39860.00	47574.00	43083.00	55755.00	49559.00	51083.00
C13 H30 N3 O2	71457.00	70246.00	70532.00	66083.00	70454.00	67305.00	61491.00	69004.00	60119.00	62544.00	76254.00	85486.00	62768.00	61228.00	56014.00	61220.00	60309.00	67873.00	58634.00	61908.00	67917.00	55412.00	58242.00	64608.00
C23 H41 N Esi+11.910003	42325.00	37738.00	38458.00	30724.00	47462.00	35113.00	36448.00	35048.00	40734.00	41782.00	44184.00	45327.00	36522.00	31374.00	45978.00	34124.00	48562.00	33916.00	42927.00	37628.00	32128.00	36741.00	31945.00	33975.00
4-(2-hydroxypropoxy)-3,5-dimethyl-Phenol	52083.00	46970.00	26210.00	27011.00	22709.00	30289.00	11523.00	11861.00	1.00	1.00	31421.00	33110.00	22869.00	20284.00	18846.00	23544.00	42446.00	45342.00	34345.00	42537.00	20835.00	22869.00	19648.00	18049.00
C28 H60 N20 O3	61132.00	73614.00	55338.00	59300.00	45353.00	45149.00	78864.00	77532.00	67080.00	75863.00	63024.00	85300.00	64130.00	41314.00	82108.00	67070.00	68151.00	63377.00	66911.00	84471.00	67512.00	63822.00	68077.00	73908.00
Gln Gly	13650.00	10889.00	45574.00	38999.00	65935.00	61462.00	37406.00	36033.00	1.00	1.00	28539.00	27475.00	38805.00	35150.00	48260.00	51863.00	57212.00	62419.00	54445.00	43616.00	28142.00	24886.00	20811.00	24558.00
C8 H3 N2 O6 S	20559.00	15457.00	22184.00	18780.00	23823.00	29433.00	19831.00	18440.00	6468.00	1.00	23781.00	22223.00	23362.00	26389.00	76327.00	69535.00	29851.00	27922.00	37313.00	32552.00	22810.00	20366.00	20595.00	19340.00
C11 H18 N4	72698.00	63641.00	63663.00	64454.00	44992.00	53534.00	62188.00	76377.00	43072.00	27673.00	61249.00	56166.00	94268.00	38178.00	45905.00	111249.00	53227.00	44946.00	46637.00	77014.00	50994.00	163306.00	83113.00	69055.00
C6 H14 N4 O2	6142722.00	6056811.00	5969379.00	5931322.00	5983373.00	5836650.00	5980137.00	5934628.00	2553850.00	2528648.00	4653190.00	4619073.00	5383825.00	5531569.00	5406518.00	5100016.00	4569428.00	4625499.00	5068636.00	5012814.00	4127249.00	4134053.00	4090691.00	4187698.00
Isobutyryl carnitine Esi+3.8339999	62379.00	59408.00	30041.00	22664.00	25756.00	27411.00	20247.00	22714.00	19863.00	17459.00	30040.00	29159.00	39010.00	39555.00	48899.00	48940.00	38643.00	38624.00	26995.00	28883.00	21721.00	20284.00	30595.00	31905.00
C56 H20 N4 O3	51069.00	51232.00	59536.00	48728.00	58099.00	47166.00	50114.00	47609.00	49168.00	46020.00	68073.00	47176.00	49944.00	50555.00	54361.00	46849.00	45910.00	46926.00	43754.00	43554.00	52777.00	42626.00	73011.00	43107.00
C20 H41 N7 Esi+13.377999	102433.00	66536.00	127242.00	105154.00	135005.00	118297.00	123319.00	134886.00	105002.00	115603.00	104607.00	112510.00	134429.00	145533.00	80147.00	169491.00	76386.00	91757.00	107166.00	101476.00	109991.00	102000.00	107855.00	109267.00
C23 H46 N2 O4	72025.00	61695.00	59953.00	61884.00	59425.00	56588.00	61484.00	62528.00	60377.00	56622.00	60303.00	47336.00	53938.00	49841.00	59301.00	64768.00	57831.00	65293.00	58229.00	48765.00	51962.00	53268.00	57468.00	60611.00
C28 H55 N4 O3 S	70400.00	63029.00	69079.00	63424.00	67093.00	65587.00	60418.00	67806.00	61911.00	76344.00	62205.00	64327.00	70718.00	60554.00	64819.00	68139.00	65159.00	57115.00	62881.00	60463.00	60358.00	59032.00	69215.00	68421.00
C28 H57 O18	48576.00	42644.00	13763.00	13959.00	33050.00	36194.00	15758.00	14834.00	61478.00	67267.00	13716.00	12502.00	18710.00	19188.00	13717.00	13164.00	32428.00	30767.00	9756.00	10908.00	14777.00	13350.00	21375.00	22680.00
4,5-epoxy-17R-HDHA Esi+5.7979994	59519.00	52183.00	59471.00	53337.00	59441.00	51025.00	62309.00	49343.00	61666.00	55857.00	53459.00	61779.00	58727.00	51535.00	61380.00	57452.00	56086.00	54288.00	55407.00	57864.00	50252.00	58955.00	44476.00	63479.00
C5 H5 N5 O4	66722.00	65202.00	45660.00	44937.00	50282.00	44717.00	44059.00	47053.00	14368.00	14340.00	33144.00	32632.00	51548.00	43295.00	45014.00	51151.00	37316.00	37181.00	64460.00	59523.00	41723.00	38286.00	56185.00	60250.00
Macaflavone II Esi+6.0760026	59251.00	64768.00	56304.00	65064.00	65154.00	60759.00	61399.00	60226.00	62662.00	62384.00	63908.00	53168.00	58595.00	57814.00	65451.00	60684.00	58070.00	59006.00	52076.00	61970.00	51182.00	59619.00	62588.00	57640.00
C7 H11 N3 O3	16074.00	18072.00	14367.00	17209.00	15520.00	17634.00	9779.00	11137.00	52560.00	54537.00	12765.00	16256.00	21025.00	17213.00	65320.00	61070.00	29155.00	35285.00	43943.00	43650.00	67302.00	62766.00	30926.00	32197.00
C41 H61 N2 O	114388.00	74928.00	88819.00	68569.00	113824.00	88761.00	119521.00	87188.00	42103.00	74364.00	103120.00	79072.00	43312.00	80874.00	96811.00	87840.00	62031.00	99178.00	85315.00	86461.00	105342.00	86961.00	77043.00	91551.00
C13 H23 N3 O	52655.00	61169.00	60102.00	60310.00	60805.00	59101.00	61859.00	60585.00	57149.00	57398.00	60491.00	54642.00	60515.00	57372.00	52576.00	62558.00	53209.00	65015.00	57840.00	55855.00	59214.00	55915.00	64486.00	52679.00
C18 H33 N O5	49440.00	44013.00	40843.00	42285.00	39673.00	47529.00	44172.00	47456.00	43597.00	46263.00	40355.00	39596.00	45674.00	43087.00	42266.00	46340.00	49873.00	50434.00	40393.00	44250.00	43158.00	46313.00	49147.00	38729.00
Alamarine	65623.00	63647.00	9925.00	8226.00	27904.00	28877.00	34359.00	30644.00	1.00	1.00	26423.00	28181.00	16448.00	14084.00	14522.00	16292.00	17676.00	17433.00	1.00	1.00	1.00	1.00	1.00	1.00
C7 N O6 S Esi+0.8409997 :1	3860135.00	3977465.00	3859430.00	3709598.00	3766482.00	3806511.00	3723802.00	3753320.00	737857.00	738175.00	3670447.00	3691805.00	3639943.00	3565357.00	3348798.00	3427056.00	3501002.00	3417757.00	3695953.00	3745455.00	3505704.00	3606001.00	3206365.00	3206502.00
C12 H16 N6	160595.00	151280.00	80798.00	89288.00	98058.00	88836.00	117531.00	110607.00	16655.00	17522.00	80613.00	82796.00	84749.00	79872.00	216795.00	228573.00	162860.00	173278.00	121043.00	114950.00	123251.00	118228.00	91866.00	93089.00
C12 H20 N2 O14	80471.00	79126.00	69256.00	72605.00	67818.00	68783.00	68461.00	68515.00	1.00	6517.00	55231.00	58319.00	58212.00	53816.00	60599.00	64475.00	63864.00	68615.00	51325.00	52079.00	63882.00	73065.00	43838.00	38782.00
C33 H57 N5 O S	51157.00	48705.00	46112.00	46391.00	52198.00	48706.00	48786.00	49466.00	51801.00	45970.00	47914.00	49594.00	56287.00	49167.00	45670.00	52313.00	40955.00	49407.00	46514.00	45871.00	52940.00	46400.00	42668.00	46211.00
Val Arg Pro	62937.00	53645.00	53175.00	49200.00	43590.00	62544.00	47327.00	45889.00	54118.00	51599.00	49989.00	44241.00	48905.00	46539.00	40452.00	51114.00	57922.00	47986.00	36838.00	55343.00	50846.00	47005.00	48726.00	50357.00
C18 H24 N O5 S	54960.00	54029.00	30181.00	32863.00	36221.00	34923.00	24389.00	26897.00	1.00	1.00	15401.00	15237.00	33072.00	37262.00	38310.00	37142.00	27210.00	27110.00	17810.00	16164.00	16048.00	15388.00	7260.00	1.00
C23 H49 N11 O	56216.00	71282.00	63385.00	60174.00	64382.00	55557.00	99647.00	106813.00	72996.00	65688.00	116336.00	117955.00	61174.00	70702.00	59348.00	119818.00	56456.00	63553.00	106948.00	111948.00	62254.00	61922.00	56168.00	60537.00
ortho-Aminoazotoluene	36326.00	43329.00	81269.00	51798.00	74149.00	54733.00	83256.00	47355.00	26543.00	18434.00	32019.00	37383.00	54209.00	48579.00	87191.00	71842.00	53968.00	60674.00	86338.00	46150.00	53115.00	46311.00	35158.00	29485.00
C28 H48 N9 O	64610.00	62825.00	74683.00	63245.00	61730.00	54391.00	64898.00	62842.00	68024.00	55115.00	62553.00	51410.00	49008.00	59898.00	62929.00	67951.00	58234.00	58669.00	50475.00	63005.00	45722.00	55120.00	66643.00	50102.00
C4 H N2 O3 S	13696.00	27947.00	63450.00	66383.00	16371.00	25995.00	17238.00	25231.00	14872.00	36578.00	22067.00	19378.00	16623.00	22269.00	16134.00	22073.00	15064.00	25414.00	21577.00	28899.00	16611.00	19757.00	35149.00	24855.00
l-2-hydroxy-decanoic acid Esi+4.9570003	1.00	149727.00	1.00	1.00	67821.00	85360.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	195744.00	152868.00	1.00	1.00	1.00	1.00
Naringin 4'-glucoside	43292.00	41328.00	53173.00	42589.00	53893.00	40994.00	42283.00	42942.00	42116.00	41327.00	59115.00	37582.00	43068.00	40322.00	48454.00	42376.00	40398.00	38706.00	40781.00	40231.00	45131.00	41027.00	71049.00	40973.00
Propoxur	51341.00	48811.00	48480.00	55755.00	60569.00	51131.00	38415.00	40119.00	43649.00	35789.00	39743.00	35334.00	45789.00	40583.00	52487.00	46431.00	48155.00	51103.00	43809.00	40992.00	39963.00	39027.00	39786.00	44136.00
C37 H65 N5 O S	76429.00	94668.00	41860.00	56441.00	101505.00	91443.00	69126.00	30056.00	121451.00	149803.00	27209.00	60875.00	84010.00	71371.00	72559.00	63974.00	113965.00	103216.00	40296.00	57782.00	66322.00	45374.00	70497.00	51681.00
Confertifolin	41404.00	43688.00	49222.00	47021.00	50335.00	51123.00	47619.00	45601.00	38503.00	44799.00	40622.00	45427.00	36281.00	58057.00	44668.00	41054.00	48844.00	42194.00	47911.00	48045.00	41467.00	44704.00	40223.00	40118.00
C23 H3 Cl O15 S4	60306.00	66807.00	61788.00	59298.00	58456.00	62151.00	61244.00	61707.00	1.00	6256.00	59143.00	58084.00	61767.00	60153.00	57277.00	50526.00	53120.00	53790.00	59277.00	59199.00	51096.00	56683.00	48641.00	52084.00
Heptachlor epoxide	56150.00	52833.00	53853.00	55782.00	49774.00	57012.00	46646.00	53904.00	1.00	1.00	58191.00	61153.00	55708.00	55447.00	58785.00	47543.00	56265.00	48421.00	54309.00	49947.00	49938.00	52603.00	45594.00	43515.00
C35 H77 N13 O6	43765.00	48570.00	48629.00	51086.00	46586.00	50032.00	48743.00	45992.00	1.00	1.00	48734.00	44642.00	43366.00	47782.00	46973.00	46666.00	45286.00	45111.00	49347.00	49141.00	44257.00	44825.00	34047.00	31522.00
C14 H3 Cl N4 O2 S4 Esi+0.8439999 :1	141555.00	150660.00	139613.00	145133.00	141690.00	145745.00	141358.00	141641.00	18734.00	16446.00	143977.00	150582.00	145269.00	138519.00	129204.00	124491.00	137092.00	127674.00	150181.00	133149.00	130493.00	136943.00	116818.00	107146.00
C44 H89 Cl2 N5 O3 S	54885.00	54031.00	55817.00	50834.00	58375.00	61773.00	62258.00	50680.00	1.00	1.00	56272.00	55627.00	55989.00	57662.00	52758.00	53266.00	53819.00	51885.00	54875.00	55332.00	53480.00	53379.00	40859.00	42903.00
CAY10415	61089.00	52981.00	58536.00	60181.00	53440.00	56859.00	46908.00	50052.00	1.00	1.00	58045.00	58553.00	44092.00	45247.00	51520.00	54769.00	61430.00	59409.00	51420.00	50069.00	55870.00	57616.00	35365.00	34811.00
C5 H2 N2 O5 S2	108712.00	116071.00	95058.00	96401.00	111158.00	109650.00	105451.00	105638.00	37019.00	34056.00	109644.00	102606.00	103905.00	99959.00	112953.00	105763.00	92563.00	93211.00	109554.00	108340.00	92896.00	93609.00	81813.00	89502.00
C5 H3 N4 O4 S	38510.00	37951.00	10685.00	14149.00	63062.00	60464.00	65374.00	61726.00	1.00	15282.00	65072.00	51228.00	48766.00	43201.00	7926.00	6866.00	17662.00	16540.00	67470.00	66432.00	11679.00	12718.00	29068.00	25162.00
C22 H32 N6 O2	16987.00	15504.00	19355.00	13525.00	43062.00	41103.00	41444.00	36226.00	19976.00	23955.00	17930.00	18405.00	33188.00	59271.00	60503.00	62232.00	20353.00	35358.00	21758.00	17748.00	1.00	1.00	1.00	1.00
Tintinnadiol	45482.00	46818.00	71879.00	48610.00	50684.00	48759.00	52356.00	44999.00	43852.00	42519.00	43498.00	34940.00	44537.00	52004.00	47891.00	41148.00	39036.00	36102.00	47223.00	47389.00	38328.00	44698.00	40118.00	35850.00
Muramic acid	65170.00	39040.00	54827.00	55994.00	57298.00	55679.00	58510.00	60845.00	1.00	1.00	47504.00	49901.00	57927.00	55962.00	66961.00	70550.00	73368.00	76248.00	66907.00	67758.00	76862.00	76175.00	61719.00	53257.00
C9 H19 N O Esi+3.7099993	65486.00	64692.00	50610.00	43905.00	55563.00	55701.00	22509.00	23966.00	37165.00	32099.00	46916.00	43412.00	32113.00	37674.00	19003.00	24395.00	43113.00	45242.00	39530.00	41930.00	25682.00	23515.00	30737.00	16634.00
C13 H22 N4 O Esi+5.8970017	402845.00	354885.00	291376.00	295117.00	411911.00	411416.00	250570.00	277829.00	259483.00	272500.00	310850.00	293573.00	246897.00	235627.00	232639.00	239125.00	309364.00	309191.00	434114.00	430092.00	195522.00	196803.00	199470.00	234437.00
2-methyl-undecanoic acid	105358.00	85964.00	127229.00	126822.00	96942.00	113649.00	48138.00	43942.00	89623.00	133098.00	88570.00	111246.00	139569.00	106425.00	47809.00	102091.00	41558.00	37490.00	114324.00	125195.00	78861.00	92773.00	194108.00	103274.00
C49 H67 Cl N2 O4	43946.00	43998.00	57409.00	56093.00	48024.00	51908.00	50061.00	49642.00	1.00	1.00	47018.00	49476.00	51022.00	54086.00	54045.00	54494.00	57927.00	53334.00	43995.00	41414.00	54059.00	50714.00	36214.00	35991.00
3,9-Hexadecadiynoic acid	57872.00	56975.00	64339.00	59802.00	70769.00	60233.00	66023.00	56309.00	59729.00	58726.00	58569.00	61591.00	54559.00	59474.00	75756.00	60178.00	58411.00	95988.00	46911.00	55990.00	46098.00	61013.00	71629.00	50815.00
(R)-(+)-2-Pyrrolidone-5-carboxylic acid Esi+1.5200003	79334.00	26077.00	39761.00	77720.00	97221.00	61614.00	59342.00	30171.00	12336.00	12756.00	100477.00	85317.00	70238.00	62838.00	70483.00	39894.00	73788.00	78824.00	53429.00	59849.00	55748.00	43980.00	45263.00	21841.00
C18 H2 Cl2 N4 O15 S5	69290.00	67941.00	59511.00	63064.00	69289.00	63552.00	67363.00	69579.00	13649.00	11733.00	62887.00	68726.00	68742.00	63207.00	54391.00	50073.00	58313.00	55112.00	70307.00	70722.00	57439.00	62038.00	49338.00	50596.00
C15 H34 N3 O3	56321.00	168572.00	48507.00	188316.00	187015.00	158159.00	42637.00	172912.00	172993.00	168148.00	158807.00	41688.00	55502.00	45390.00	45958.00	164398.00	163521.00	160469.00	161469.00	55336.00	45292.00	41094.00	43392.00	45403.00
C22 H49 N14	29997.00	27002.00	48683.00	90975.00	31736.00	47106.00	53381.00	44684.00	77704.00	42410.00	42544.00	20065.00	31656.00	36544.00	16838.00	25264.00	22200.00	30778.00	41259.00	24353.00	38445.00	39097.00	42525.00	22850.00
C15 H33 N O	31423.00	34560.00	34197.00	32243.00	36372.00	34534.00	31867.00	31695.00	59285.00	48273.00	33924.00	34206.00	34828.00	31999.00	28828.00	29564.00	41583.00	39868.00	26413.00	30929.00	42505.00	40742.00	39755.00	38742.00
C46 H97 N5	50791.00	54746.00	55662.00	52663.00	55056.00	53294.00	54435.00	54573.00	1.00	1.00	56437.00	58314.00	50885.00	54100.00	43764.00	49453.00	48749.00	51188.00	54887.00	51166.00	53724.00	52586.00	43584.00	42646.00
Diethofencarb	47912.00	52321.00	60053.00	53129.00	49324.00	50242.00	46514.00	45113.00	50758.00	49861.00	48421.00	43937.00	54787.00	43242.00	53983.00	40523.00	44168.00	45901.00	47325.00	49717.00	37919.00	38576.00	45599.00	44005.00
Eprosartan	39812.00	40713.00	40109.00	42639.00	49868.00	49978.00	33192.00	34709.00	47846.00	46038.00	47123.00	38288.00	43750.00	46666.00	40819.00	42893.00	48590.00	48288.00	31693.00	34797.00	45341.00	49963.00	37726.00	44270.00
Meptazinol	59681.00	56296.00	58441.00	58141.00	54555.00	55199.00	53545.00	51362.00	49093.00	55349.00	56135.00	56620.00	57539.00	55336.00	53831.00	49199.00	56539.00	54263.00	50536.00	61334.00	52087.00	54342.00	48648.00	49266.00
Diethylene glycol Esi+6.3320003	44566.00	47763.00	43234.00	45221.00	44008.00	38869.00	42800.00	44388.00	65134.00	69274.00	47337.00	42933.00	39386.00	39451.00	36249.00	37663.00	39448.00	41338.00	37477.00	36072.00	44533.00	44317.00	48265.00	45723.00
C24 H48 N2 O4	55743.00	49155.00	47309.00	51630.00	66422.00	54573.00	45381.00	45067.00	61246.00	52690.00	42729.00	47550.00	54575.00	46703.00	48877.00	49736.00	47402.00	41367.00	49948.00	61717.00	51181.00	50387.00	44090.00	48946.00
C22 H5 Cl O10 S5	75949.00	68634.00	59173.00	58992.00	61009.00	59757.00	65104.00	59487.00	15652.00	16378.00	60165.00	59281.00	58043.00	52738.00	48588.00	51815.00	46754.00	53042.00	65256.00	65327.00	54162.00	52877.00	52225.00	56109.00
C7 H2 Cl O2	5311.00	17265.00	28418.00	13509.00	23339.00	13747.00	13860.00	19369.00	7447.00	32836.00	17203.00	22030.00	39669.00	22184.00	36989.00	43797.00	15377.00	10618.00	13499.00	30285.00	24281.00	12054.00	19403.00	30835.00
C35 H67 N15 O3 Esi+12.368002	92061.00	69965.00	74014.00	66208.00	77602.00	71175.00	47731.00	68748.00	60703.00	44587.00	71712.00	64644.00	55375.00	55917.00	61863.00	55215.00	77969.00	78825.00	69467.00	83153.00	69278.00	92624.00	69984.00	67163.00
C37 H65 N5 O S Esi+13.113005	97605.00	96668.00	59588.00	66492.00	117156.00	121607.00	57309.00	45173.00	146668.00	127694.00	26973.00	48334.00	96246.00	61127.00	71474.00	70222.00	109563.00	100030.00	51000.00	52050.00	77219.00	69236.00	78609.00	43497.00
C52 H68 N4 O7	73529.00	60687.00	60546.00	56118.00	55611.00	66804.00	63791.00	58912.00	64956.00	67448.00	62876.00	62699.00	54075.00	62132.00	61115.00	60009.00	62938.00	61726.00	52753.00	57458.00	60344.00	51069.00	57637.00	62594.00
C35 H61 N5 S Esi+13.080996	114331.00	114517.00	82896.00	85802.00	117525.00	120215.00	74663.00	67950.00	97116.00	102468.00	1.00	29907.00	105030.00	112190.00	98430.00	91022.00	124442.00	112837.00	77765.00	69203.00	66766.00	39707.00	80680.00	77875.00
C24 H29 N8 O	43615.00	42909.00	24903.00	24057.00	33193.00	50944.00	61912.00	64815.00	36078.00	37851.00	23090.00	27247.00	42604.00	35371.00	24539.00	26447.00	36928.00	40992.00	28294.00	24379.00	45325.00	38242.00	37828.00	36068.00
C12 O9 S	1.00	1.00	1.00	1.00	11612.00	11062.00	10479.00	9225.00	1.00	1.00	8794.00	8129.00	8426.00	7437.00	53921.00	57202.00	7890.00	9315.00	21735.00	17606.00	6623.00	7926.00	10542.00	10714.00
C21 H43 N O4	19487.00	18841.00	17324.00	17848.00	20644.00	14039.00	17744.00	19419.00	19652.00	18875.00	18218.00	17846.00	19354.00	20596.00	21154.00	21901.00	16275.00	17781.00	20098.00	15981.00	13467.00	19748.00	69948.00	69642.00
2-Oxosuberate	48384.00	44690.00	51885.00	99950.00	41905.00	40466.00	32707.00	33477.00	1.00	1.00	86757.00	36340.00	55893.00	33161.00	98259.00	65557.00	89469.00	83776.00	23028.00	40455.00	62353.00	118032.00	33420.00	37962.00
C11 H34 N11 O3 S	59907.00	56078.00	60452.00	52676.00	57900.00	51695.00	56685.00	58744.00	54109.00	52527.00	56323.00	56703.00	51863.00	55036.00	63332.00	60996.00	60258.00	56572.00	50859.00	57202.00	51157.00	53148.00	51249.00	48607.00
Tributyrin	39187.00	23048.00	60681.00	58014.00	73690.00	65868.00	56528.00	64168.00	44427.00	37414.00	70934.00	26668.00	55220.00	59323.00	188254.00	64130.00	52830.00	40593.00	27543.00	36457.00	38565.00	38991.00	35349.00	34717.00
C32 H61 N15 O Esi+13.072999	99425.00	89906.00	41970.00	59642.00	105217.00	114710.00	29082.00	34422.00	56919.00	137427.00	53456.00	27739.00	50620.00	65532.00	53445.00	54356.00	95924.00	94760.00	43416.00	29699.00	63477.00	26865.00	35777.00	43555.00
Hexanoylglycine	54936.00	59406.00	56732.00	50063.00	59629.00	59085.00	47288.00	50919.00	52164.00	57986.00	48525.00	52554.00	50852.00	46797.00	53443.00	54047.00	56771.00	51818.00	49084.00	48117.00	56277.00	50068.00	60899.00	60094.00
PC(O-15:0/20:4(5Z,8Z,11Z,14Z))	54424.00	50515.00	62113.00	58717.00	58618.00	54797.00	52843.00	55993.00	1.00	1.00	54857.00	55319.00	57262.00	51971.00	55855.00	52966.00	53010.00	52607.00	49201.00	51340.00	53134.00	52659.00	38031.00	36972.00
C38 H81 N7 O4	55500.00	55048.00	50478.00	50456.00	55870.00	49210.00	55436.00	51718.00	1.00	1.00	50256.00	55055.00	52481.00	56530.00	50028.00	48890.00	50227.00	51986.00	48789.00	48831.00	49167.00	51504.00	39585.00	35220.00
C32 H61 N15 O2 Esi+12.368002	119575.00	119140.00	77245.00	78047.00	144514.00	141751.00	72081.00	75665.00	146774.00	152014.00	81949.00	74575.00	101376.00	97457.00	103611.00	100148.00	128164.00	133173.00	83135.00	82453.00	105890.00	93943.00	88861.00	80998.00
Piracetam	64797.00	64950.00	38622.00	36383.00	40684.00	42452.00	17531.00	19396.00	57924.00	51370.00	29043.00	31458.00	31784.00	29274.00	69661.00	85935.00	37858.00	37921.00	48311.00	46462.00	34476.00	33937.00	31349.00	30670.00
4-Hydroxycinnamic acid Esi+9.4190035	57822.00	55504.00	58286.00	49603.00	54977.00	55339.00	55674.00	54328.00	55011.00	52852.00	54050.00	57495.00	51746.00	52763.00	58945.00	60397.00	54462.00	58689.00	51300.00	53364.00	51693.00	57846.00	55091.00	50410.00
2-(3'-Methylthio)propylmalic acid Esi+13.135996	26545.00	31742.00	34477.00	26444.00	36576.00	23384.00	25731.00	27245.00	31226.00	28073.00	36204.00	27399.00	27892.00	27974.00	30363.00	25206.00	26587.00	21295.00	24675.00	23718.00	29609.00	21524.00	49317.00	24732.00
C33 H73 N22	67807.00	66616.00	53522.00	60611.00	59533.00	54911.00	65741.00	57712.00	1.00	1.00	53460.00	57530.00	62264.00	57420.00	57748.00	56357.00	41158.00	54592.00	62443.00	57316.00	52815.00	57799.00	35655.00	36205.00
Dihydroceramide C2	19774.00	23438.00	18549.00	14348.00	15332.00	15745.00	17128.00	18759.00	24243.00	20580.00	16807.00	16777.00	17248.00	14271.00	14612.00	13984.00	62101.00	68108.00	11420.00	15596.00	13340.00	16275.00	11165.00	14886.00
Discodermolide	56067.00	66651.00	44286.00	66918.00	41203.00	49163.00	64572.00	98608.00	74606.00	78250.00	37581.00	51029.00	57299.00	50932.00	63363.00	45818.00	48177.00	49271.00	44257.00	84899.00	58281.00	42891.00	43171.00	88003.00
Knipholone	56207.00	52006.00	58430.00	55495.00	51957.00	49608.00	52536.00	50557.00	1.00	1.00	41619.00	41996.00	41860.00	42122.00	34807.00	37679.00	41671.00	42220.00	36946.00	36783.00	43929.00	44427.00	31051.00	28576.00
C24 H30 N5 O2 S	41895.00	32367.00	42656.00	35716.00	31786.00	37303.00	30782.00	36824.00	34957.00	35624.00	45439.00	33710.00	31419.00	33548.00	28177.00	48048.00	42501.00	58870.00	27677.00	32057.00	33856.00	25636.00	36590.00	41729.00
C7 N O7	51597.00	52673.00	34953.00	39098.00	56121.00	55737.00	55535.00	54654.00	12782.00	10620.00	60882.00	55896.00	49095.00	46227.00	31198.00	32874.00	41473.00	33567.00	59719.00	56345.00	36779.00	36333.00	31817.00	38626.00
Fasoracetam	56324.00	59988.00	56136.00	58015.00	61453.00	52818.00	55681.00	59277.00	61730.00	63021.00	56538.00	59265.00	52477.00	52084.00	54914.00	51609.00	53384.00	58726.00	53952.00	53051.00	55833.00	61348.00	52738.00	51904.00
Tauroursocholic acid	47722.00	43993.00	47490.00	46581.00	49346.00	42279.00	51317.00	43341.00	42078.00	42452.00	47548.00	44278.00	42710.00	44561.00	43647.00	48162.00	43643.00	42086.00	50313.00	44765.00	53525.00	50206.00	51500.00	50036.00
C39 H67 N22 O2	48440.00	58617.00	51243.00	53478.00	48139.00	49548.00	54429.00	48669.00	1.00	1.00	48335.00	45968.00	48464.00	48051.00	46512.00	45703.00	47306.00	47730.00	51003.00	46467.00	46988.00	48490.00	36554.00	42200.00
C24 H55 N4 O7 Esi+12.306	57454.00	72024.00	99285.00	72073.00	44932.00	88285.00	86025.00	95864.00	58856.00	66321.00	78781.00	56314.00	87941.00	92804.00	100696.00	70797.00	71808.00	60620.00	104754.00	87226.00	63803.00	97276.00	100649.00	59195.00
C25 H55 N7 O9	68510.00	75406.00	55875.00	49433.00	61993.00	56020.00	59419.00	60406.00	70368.00	69657.00	69391.00	59863.00	64461.00	48992.00	57588.00	57632.00	81104.00	75007.00	50280.00	54726.00	54940.00	56888.00	67464.00	68471.00
C50 H91 N3 S	66100.00	57517.00	55449.00	59586.00	57274.00	51422.00	66272.00	58905.00	1.00	1.00	55224.00	63140.00	64342.00	62421.00	51155.00	53402.00	57524.00	55456.00	68444.00	64275.00	54779.00	52091.00	44859.00	46887.00
C17 O10 S4 Esi+0.8489997	138904.00	135565.00	130590.00	126672.00	141331.00	135748.00	135716.00	136958.00	13962.00	16067.00	135429.00	132329.00	138491.00	125656.00	114323.00	123806.00	119927.00	122692.00	131807.00	129034.00	122337.00	128903.00	99582.00	98212.00
Sarpagine	41739.00	42415.00	26101.00	30252.00	57352.00	52514.00	48304.00	45801.00	10219.00	10614.00	54399.00	52786.00	36407.00	39345.00	26677.00	28172.00	24312.00	25729.00	7861.00	8109.00	1.00	1.00	8413.00	7768.00
C20 H13 N2	1.00	13262.00	13283.00	18181.00	20977.00	19563.00	37270.00	38493.00	1.00	1.00	26338.00	24350.00	19500.00	19900.00	1.00	1.00	16353.00	19366.00	18258.00	15193.00	26859.00	30024.00	29773.00	34090.00
C32 H71 N27 O	50424.00	47742.00	48031.00	50321.00	50071.00	52404.00	51810.00	56419.00	1.00	1.00	52846.00	54473.00	52420.00	49902.00	46825.00	49759.00	45834.00	45871.00	49582.00	53255.00	48746.00	51994.00	37323.00	35429.00
3-dodecanoyl-NBD Cholesterol	56742.00	52248.00	44997.00	54408.00	55188.00	42938.00	58390.00	59260.00	47570.00	57947.00	45046.00	55394.00	45389.00	54549.00	46625.00	46890.00	47789.00	53315.00	50563.00	53107.00	50864.00	45111.00	44761.00	52829.00
C5 O9	252987.00	263078.00	212060.00	204937.00	250625.00	237949.00	256373.00	249835.00	85970.00	86009.00	234757.00	235251.00	214340.00	216689.00	197119.00	201048.00	196394.00	194655.00	241711.00	247624.00	201586.00	199213.00	190651.00	185254.00
C17 H38 N3 O4	48856.00	57376.00	49104.00	44738.00	56455.00	45728.00	58359.00	53479.00	58978.00	55916.00	41695.00	51236.00	44426.00	59676.00	48463.00	45106.00	58256.00	48639.00	60680.00	60862.00	40327.00	37421.00	50198.00	42400.00
Citrulline	43022.00	47407.00	55148.00	47783.00	59540.00	56186.00	49322.00	54136.00	1.00	1.00	42095.00	40949.00	41837.00	44961.00	53426.00	56940.00	67089.00	59671.00	45511.00	42592.00	54446.00	53188.00	24311.00	26291.00
Glu-P-2	27853.00	33097.00	36655.00	45452.00	35416.00	50211.00	32437.00	42843.00	1.00	1.00	26665.00	34746.00	39534.00	42991.00	47088.00	51997.00	35209.00	41351.00	30862.00	33770.00	52129.00	55154.00	29175.00	30550.00
Sildenafil Esi+8.755998	561052.00	586848.00	558231.00	556819.00	565376.00	552708.00	560753.00	556128.00	555216.00	536838.00	548155.00	518584.00	543531.00	525621.00	524623.00	529522.00	537614.00	528094.00	531845.00	508995.00	540350.00	545078.00	537529.00	504827.00
C49 H100 Cl O2 S4	52925.00	49310.00	47041.00	50421.00	50364.00	57424.00	55661.00	44613.00	1.00	1.00	43504.00	51972.00	56192.00	48850.00	47323.00	45120.00	45225.00	44147.00	51325.00	55431.00	47810.00	48240.00	42555.00	36669.00
N-methylundec-10-enamide Esi+8.752	30476.00	33896.00	13261.00	14396.00	29543.00	31553.00	31803.00	29290.00	23307.00	19073.00	10720.00	12505.00	26977.00	24198.00	37025.00	32402.00	10132.00	9026.00	54591.00	52470.00	14341.00	14999.00	14422.00	13771.00
2?,7?,12?-Trihydroxy-3-oxo-5?-cholan-24-oic Acid	57394.00	53057.00	51666.00	51524.00	51996.00	46907.00	50810.00	52702.00	53093.00	52360.00	54118.00	49954.00	49093.00	47038.00	57167.00	55162.00	56431.00	53668.00	52986.00	44695.00	50670.00	48574.00	50990.00	51381.00
C14 H15 N5 O	66103.00	58004.00	68179.00	61013.00	63603.00	69322.00	65966.00	57063.00	53233.00	55405.00	71974.00	63912.00	58792.00	63342.00	57444.00	59357.00	63874.00	62938.00	59767.00	54344.00	63420.00	51603.00	56896.00	58330.00
5-Methylcytidine Esi+1.5359998	41444.00	43099.00	42704.00	45885.00	37566.00	40655.00	39424.00	37924.00	1.00	1.00	28650.00	28369.00	56470.00	44726.00	57607.00	60797.00	55650.00	47602.00	45908.00	50613.00	45378.00	37212.00	36388.00	32929.00
C17 H39 N4 O	20844.00	20632.00	39930.00	40091.00	57245.00	50726.00	36771.00	35471.00	28779.00	29727.00	33077.00	34511.00	28121.00	25298.00	38949.00	36887.00	35229.00	34575.00	30892.00	31430.00	41946.00	41461.00	51930.00	45746.00
11-O-Demethyl-17-O-deacetylvindoline	34441.00	31972.00	24170.00	29495.00	22598.00	20258.00	20895.00	28721.00	33611.00	27977.00	27040.00	26375.00	24283.00	27322.00	22998.00	28688.00	27807.00	23511.00	22619.00	22481.00	19223.00	30409.00	25981.00	28258.00
C23 H32 N9 O4	33729.00	34119.00	29550.00	25323.00	35255.00	39020.00	66612.00	50436.00	29598.00	40449.00	33127.00	31999.00	40551.00	30006.00	36132.00	35075.00	44528.00	49050.00	27457.00	36302.00	41805.00	42598.00	38169.00	42274.00
C18 H6 Cl2 O3 S3	72663.00	74122.00	59687.00	66864.00	66324.00	67797.00	69025.00	69882.00	7566.00	11418.00	64813.00	68808.00	61231.00	68257.00	67533.00	65397.00	61819.00	59955.00	73111.00	66819.00	63321.00	61895.00	52166.00	52312.00
C8-Dihydroceramide	42823.00	49639.00	50001.00	47461.00	43052.00	46429.00	34631.00	43368.00	44619.00	48398.00	41719.00	39367.00	44653.00	47672.00	39582.00	47258.00	36841.00	44956.00	46894.00	40245.00	49233.00	36987.00	46103.00	45152.00
C3 H2 Cl2 N2 O5 S	44502.00	31431.00	17099.00	21440.00	20798.00	17020.00	22449.00	22059.00	27744.00	24045.00	22497.00	13982.00	24462.00	23672.00	22824.00	19481.00	19829.00	17883.00	28178.00	26132.00	15255.00	18225.00	24356.00	31649.00
C20 H Cl3 N6 O8 S4	59929.00	60044.00	57526.00	57362.00	64552.00	63723.00	62220.00	61597.00	9300.00	8223.00	61185.00	59958.00	55105.00	54736.00	46837.00	49245.00	51444.00	47959.00	54469.00	59980.00	50608.00	54445.00	44920.00	47678.00
C11 H11 N2 O	21059.00	22920.00	27293.00	26720.00	21216.00	20621.00	24629.00	23894.00	1.00	1.00	21285.00	21133.00	22824.00	24562.00	22491.00	23461.00	25096.00	24908.00	24482.00	22702.00	21543.00	22453.00	16707.00	17400.00
C31 H63 N8 O6 Esi+12.509002	58623.00	41218.00	81950.00	58801.00	51814.00	53322.00	28653.00	34126.00	63030.00	58537.00	52598.00	54880.00	42488.00	53478.00	125393.00	122951.00	63104.00	72062.00	55629.00	51198.00	46798.00	54728.00	48328.00	59260.00
C3 H2 N O7 S Esi+0.8190002	159280.00	147194.00	102630.00	90377.00	161485.00	157538.00	149206.00	163859.00	37745.00	36034.00	165040.00	148089.00	156359.00	153544.00	78504.00	28172.00	90640.00	87402.00	155368.00	159722.00	126635.00	116068.00	109732.00	114667.00
C31 H63 N8 O12	57887.00	55129.00	54634.00	52387.00	53485.00	55428.00	54043.00	49115.00	56856.00	60537.00	51911.00	57033.00	55404.00	54229.00	61637.00	57136.00	54704.00	54378.00	61699.00	55255.00	54347.00	52385.00	53579.00	51889.00
Gymnemic acid I	26615.00	24025.00	26395.00	26765.00	26141.00	25160.00	29264.00	27845.00	28984.00	27385.00	27153.00	26064.00	30271.00	28725.00	28153.00	25627.00	27932.00	26668.00	26744.00	26296.00	25208.00	29114.00	27523.00	26438.00
Thioridazine Esi+11.194	47195.00	48335.00	48802.00	31343.00	47843.00	49395.00	52359.00	55383.00	43300.00	51669.00	48782.00	52466.00	42396.00	46967.00	41953.00	47210.00	46404.00	46918.00	58009.00	47856.00	35151.00	49486.00	42239.00	47916.00
Leu Ala	54331.00	50867.00	45329.00	48499.00	34808.00	33854.00	32710.00	35939.00	29720.00	30578.00	26614.00	27801.00	24765.00	24986.00	31915.00	33782.00	34757.00	37913.00	41360.00	42207.00	36158.00	36359.00	34166.00	28880.00
C20 H43 N4 O2 Esi+12.447	49734.00	48947.00	40442.00	48582.00	43747.00	39945.00	56239.00	45646.00	43152.00	46902.00	42787.00	44430.00	50118.00	49622.00	31771.00	40831.00	33871.00	46186.00	50759.00	41886.00	47391.00	44810.00	31731.00	47767.00
C23 H30 N7	47817.00	49187.00	46840.00	40647.00	45926.00	43473.00	41405.00	41516.00	48611.00	42692.00	48336.00	44338.00	45663.00	39232.00	41300.00	41316.00	41495.00	43232.00	42950.00	38247.00	43085.00	41867.00	37411.00	36389.00
5,2',4',5'-Tetrahydroxy-3-(3-hydroxy-3-methylbutyl)-6'',6''-dimethylpyrano[2'',3'':7,8]flavone Esi+10.506	201520.00	192737.00	122221.00	121770.00	187906.00	188458.00	110199.00	106582.00	195960.00	192336.00	110729.00	118080.00	126783.00	124635.00	115115.00	122053.00	154397.00	146890.00	86191.00	94749.00	124352.00	127668.00	95032.00	93572.00
para-Benzoquinone dioxime Esi+1.0440001	76813.00	76736.00	69453.00	64841.00	65305.00	62565.00	67349.00	67024.00	1.00	1.00	54411.00	50925.00	60611.00	65400.00	87592.00	92787.00	77632.00	73849.00	111442.00	116411.00	92496.00	92306.00	49880.00	52392.00
C20 H38 N5 O6	58859.00	49217.00	42716.00	43131.00	48985.00	48946.00	50472.00	50506.00	48707.00	49800.00	44143.00	44279.00	43933.00	49601.00	53071.00	51779.00	54733.00	51744.00	52718.00	50126.00	47259.00	40188.00	45972.00	48642.00
C3 H N2 O3 S2	23353.00	22205.00	12974.00	12817.00	23164.00	22635.00	24289.00	23662.00	1.00	1.00	19749.00	22568.00	17384.00	22155.00	59189.00	61388.00	16051.00	15897.00	37486.00	33702.00	14988.00	18506.00	14884.00	10892.00
C11 H2 Cl2 N6 O5 S4	65614.00	61430.00	59288.00	56086.00	61302.00	57874.00	66797.00	61975.00	1.00	1.00	59668.00	57255.00	61168.00	60123.00	56730.00	59595.00	60181.00	62483.00	53339.00	54240.00	57063.00	58539.00	38605.00	33551.00
C5 H8 N3 O4 Esi+0.90500015	45576.00	39770.00	54497.00	18665.00	33511.00	49456.00	60556.00	45825.00	51769.00	63506.00	55011.00	51780.00	107049.00	42169.00	64816.00	113550.00	38125.00	49040.00	35228.00	44750.00	60125.00	51973.00	42123.00	7741.00
C19 H5 N4 O16 S	56078.00	67127.00	66056.00	63995.00	66320.00	60540.00	64601.00	47337.00	66701.00	65184.00	62934.00	70146.00	66281.00	60258.00	72261.00	71681.00	63893.00	63518.00	66280.00	54798.00	62724.00	65392.00	64608.00	63393.00
C10 H15 N6 O5	38313.00	39728.00	49834.00	51258.00	46427.00	50706.00	44518.00	47155.00	1.00	1.00	45293.00	44343.00	41764.00	44404.00	57454.00	55353.00	48048.00	47270.00	40556.00	39880.00	58975.00	60375.00	28368.00	24646.00
C36 H79 N11 O S4	46174.00	44622.00	55465.00	57618.00	54397.00	49557.00	52491.00	54988.00	1.00	1.00	47388.00	51673.00	54183.00	51412.00	56931.00	54580.00	48228.00	53768.00	43892.00	46509.00	50438.00	53279.00	32261.00	32110.00
C33 H73 N15 O3 S	23312.00	35407.00	37723.00	33700.00	47676.00	50211.00	45368.00	39603.00	36990.00	38114.00	41472.00	41785.00	39036.00	29982.00	45559.00	55747.00	33712.00	37774.00	46289.00	36191.00	42023.00	43336.00	43315.00	40488.00
C10 H2 N2 O11 S	66087.00	71131.00	61111.00	64126.00	68075.00	70642.00	67539.00	65766.00	6243.00	1.00	62971.00	58581.00	61950.00	60871.00	58654.00	63754.00	66638.00	64643.00	54760.00	59152.00	62462.00	63802.00	37924.00	39970.00
C11 H18 N4 Esi+6.014001	87642.00	62038.00	86876.00	144959.00	71605.00	87698.00	116904.00	151915.00	33447.00	33424.00	70214.00	67965.00	35596.00	38851.00	50613.00	75661.00	48672.00	47071.00	64634.00	59327.00	87743.00	161320.00	145839.00	162174.00
C12 H20 N2 O7 S	19425.00	23458.00	17589.00	20862.00	29965.00	46242.00	17216.00	18707.00	62135.00	64692.00	27484.00	24299.00	36345.00	34064.00	34125.00	38362.00	51534.00	52051.00	27743.00	31096.00	49043.00	48396.00	43308.00	40399.00
C27 H58 N20 O3	45168.00	48969.00	37758.00	46619.00	46880.00	45958.00	39941.00	49944.00	56093.00	61196.00	46060.00	38974.00	42927.00	37378.00	53100.00	54043.00	65640.00	68586.00	54216.00	45067.00	50175.00	34490.00	41254.00	43537.00
Homobaldrinal Esi+8.22	254073.00	251461.00	144098.00	157926.00	198138.00	183555.00	192636.00	219168.00	191661.00	193805.00	294486.00	299503.00	168067.00	167066.00	187927.00	193189.00	166365.00	171093.00	177058.00	172837.00	196327.00	195359.00	164665.00	164443.00
2-Phenylbutyrolactone Esi+8.216998	96024.00	102623.00	64579.00	56622.00	73465.00	72964.00	89836.00	88750.00	81198.00	82695.00	116814.00	116699.00	61669.00	68515.00	79706.00	74735.00	64481.00	60686.00	69559.00	77800.00	83857.00	79328.00	66549.00	62568.00
6'?-Hydroxylovastatin	46307.00	52027.00	51297.00	51919.00	47082.00	53337.00	51057.00	53397.00	56776.00	52812.00	54889.00	51376.00	57771.00	50257.00	54571.00	53811.00	47870.00	53272.00	48017.00	57089.00	55098.00	56198.00	56870.00	49724.00
C27 H3 Cl3 N O7 S5	53059.00	51255.00	49568.00	50760.00	57625.00	55542.00	43078.00	56596.00	1.00	6926.00	55286.00	55997.00	49078.00	57230.00	45337.00	53654.00	57903.00	44577.00	53762.00	55416.00	49139.00	50416.00	45639.00	47401.00
C34 H73 N11 O S2	86355.00	81601.00	40114.00	44278.00	121376.00	94994.00	42109.00	34913.00	99515.00	111056.00	28063.00	38058.00	73637.00	73182.00	64724.00	61469.00	93724.00	92990.00	39321.00	33413.00	48836.00	42640.00	50704.00	47406.00
Estradiol-17-phenylpropionate	28524.00	19993.00	61860.00	60852.00	12593.00	15920.00	19710.00	21952.00	1.00	1.00	31047.00	22085.00	14188.00	13855.00	25641.00	26973.00	24079.00	15965.00	27294.00	34196.00	27031.00	23540.00	21742.00	17395.00
C12 H10 N O12	11229.00	12115.00	7537.00	11816.00	10088.00	10652.00	11130.00	9622.00	1.00	1.00	1.00	1.00	9902.00	9443.00	29638.00	28608.00	52263.00	54048.00	49932.00	51979.00	44222.00	43332.00	48987.00	50909.00
C19 H37 N8 O7	47565.00	46817.00	41894.00	41979.00	41455.00	43931.00	42334.00	42569.00	65243.00	63445.00	42236.00	43315.00	43119.00	43990.00	42552.00	41081.00	42766.00	42518.00	46824.00	47762.00	42026.00	47137.00	41604.00	42198.00
C50 H95 Cl2 N2	49165.00	51724.00	47058.00	45917.00	47342.00	49326.00	52383.00	54968.00	1.00	1.00	51906.00	54609.00	47726.00	43986.00	42935.00	46474.00	48631.00	45523.00	53334.00	47492.00	47436.00	44746.00	39594.00	37197.00
C30 H25 N22 O2	72502.00	73779.00	66001.00	64611.00	66729.00	69662.00	69992.00	69507.00	66034.00	65491.00	63414.00	66469.00	67613.00	63643.00	62985.00	60487.00	68550.00	67178.00	71246.00	63007.00	65250.00	58622.00	64963.00	62800.00
C12 H Cl3 O7 S2	62453.00	58906.00	39125.00	40077.00	45887.00	44796.00	48039.00	48837.00	25058.00	25825.00	43229.00	43946.00	45997.00	41231.00	36268.00	41094.00	38099.00	37692.00	51046.00	47822.00	40961.00	36691.00	40243.00	37988.00
Deoxymiroestrol Esi+11.453002	52430.00	48017.00	47473.00	54902.00	41405.00	61734.00	52304.00	54616.00	62724.00	54210.00	53223.00	53094.00	50754.00	47719.00	57297.00	49327.00	50112.00	40479.00	47495.00	48322.00	48456.00	36584.00	32968.00	35718.00
C11 H18 N2 O2	54132.00	48412.00	51587.00	51739.00	49309.00	52553.00	53714.00	51115.00	50703.00	47163.00	48878.00	45648.00	53197.00	48515.00	50406.00	46637.00	50387.00	44720.00	48187.00	44917.00	49305.00	49574.00	47318.00	49584.00
C12 H9 N5 O	54345.00	51255.00	60257.00	58362.00	53889.00	53148.00	46974.00	53488.00	51344.00	54779.00	52347.00	52817.00	48882.00	50740.00	54849.00	54947.00	47685.00	54047.00	44380.00	50518.00	55105.00	54894.00	49087.00	52100.00
C48 H79 N5 O2 S2	48182.00	51625.00	52641.00	55075.00	58653.00	58504.00	51758.00	56099.00	1.00	1.00	55045.00	50079.00	52492.00	56571.00	52266.00	49727.00	54089.00	49065.00	47103.00	54112.00	51079.00	54235.00	37949.00	33869.00
F4-Neuroprostane (7-series)	57171.00	55097.00	51838.00	57819.00	54012.00	54718.00	56122.00	52606.00	54965.00	57140.00	49969.00	60923.00	53464.00	53733.00	54619.00	51537.00	55755.00	54316.00	56180.00	55683.00	55976.00	56100.00	53808.00	53309.00
2-(3'-Methylthio)propylmalic acid Esi+10.752002	45859.00	42244.00	44046.00	39626.00	39550.00	46518.00	40978.00	39387.00	47807.00	41190.00	40259.00	37747.00	46772.00	42581.00	39968.00	40302.00	42384.00	34981.00	37143.00	38451.00	35910.00	37464.00	42876.00	35310.00
C41 H73 N5 O9	105516.00	94288.00	38457.00	102261.00	171343.00	117503.00	99934.00	94021.00	108013.00	102180.00	107591.00	176841.00	132130.00	103507.00	111986.00	153670.00	119910.00	99335.00	124968.00	101825.00	98370.00	99027.00	266521.00	128289.00
1,2-dioctadecanoyl-3-O-(6-deoxy-6-amino-alpha-D-glucosyl)-sn-glycerol	49451.00	47036.00	49486.00	41905.00	41828.00	45878.00	46128.00	40889.00	1.00	1.00	48473.00	47044.00	47615.00	44669.00	48019.00	43108.00	44757.00	42746.00	50151.00	48130.00	45084.00	43935.00	31406.00	33441.00
Octopine	21755.00	24573.00	14853.00	15685.00	20315.00	13712.00	13830.00	16942.00	46224.00	52417.00	13531.00	13757.00	16427.00	12997.00	30392.00	32956.00	23577.00	24549.00	14962.00	13128.00	17575.00	19869.00	9255.00	9899.00
8Z-heptadecenoic acid	48553.00	57399.00	40910.00	56110.00	40260.00	50726.00	45544.00	38353.00	42892.00	42116.00	49761.00	41204.00	27561.00	38748.00	43152.00	28815.00	38998.00	44254.00	35786.00	50049.00	49571.00	46389.00	44721.00	35741.00
Fibrin	35715.00	40400.00	11559.00	10516.00	14303.00	13152.00	22594.00	21761.00	60448.00	51564.00	13220.00	1.00	13882.00	13682.00	32994.00	27723.00	21414.00	24077.00	21909.00	24048.00	14963.00	13627.00	16088.00	15829.00
C16 H25 N5 O	30907.00	30526.00	26219.00	22152.00	21494.00	25786.00	25309.00	25798.00	27064.00	30514.00	26521.00	22618.00	21977.00	24517.00	28072.00	26732.00	49996.00	49338.00	22165.00	19955.00	23118.00	22476.00	19862.00	27313.00
C3 N O7 S	59762.00	55738.00	38388.00	40330.00	60259.00	53735.00	54945.00	53199.00	1.00	1.00	54274.00	58463.00	61529.00	58618.00	29471.00	34269.00	41245.00	36794.00	52278.00	56081.00	58542.00	57988.00	35856.00	37888.00
cyclohexylammonium Esi+1.226	23620.00	19356.00	13098.00	13626.00	17307.00	19295.00	15823.00	17309.00	59618.00	54758.00	28573.00	25100.00	21602.00	22653.00	21239.00	14599.00	13991.00	13345.00	8409.00	10952.00	17780.00	13496.00	7081.00	9017.00
C13 H16 N7	51350.00	60251.00	58851.00	51395.00	65631.00	52874.00	44575.00	63106.00	60209.00	54759.00	54175.00	55493.00	58994.00	49360.00	56287.00	46378.00	59780.00	65273.00	56699.00	38380.00	69337.00	55702.00	58151.00	36100.00
C16 H Cl3 N O15 S2	36651.00	35224.00	33319.00	35111.00	28043.00	32934.00	32328.00	24801.00	1.00	1.00	31697.00	32230.00	30412.00	29749.00	27422.00	30374.00	27467.00	30127.00	28275.00	32614.00	26902.00	27257.00	21614.00	28340.00
decanamide Esi+9.141999	48011.00	41762.00	56514.00	60124.00	41334.00	53449.00	50813.00	50567.00	39407.00	37897.00	40664.00	42565.00	35334.00	38741.00	38009.00	35904.00	28838.00	37770.00	42843.00	50837.00	46126.00	46181.00	51995.00	52701.00
C21 H3 N3 O19	44471.00	43385.00	40150.00	40935.00	48317.00	45543.00	33026.00	47149.00	42423.00	51119.00	45555.00	43317.00	36877.00	38542.00	54973.00	54526.00	61949.00	59144.00	41687.00	41855.00	39187.00	41590.00	34311.00	46856.00
C12 H Cl3 N2 O7 S5	22704.00	30023.00	27644.00	24470.00	22392.00	28685.00	25448.00	25618.00	1.00	1.00	25660.00	24557.00	31316.00	26021.00	28196.00	27049.00	26508.00	27312.00	31283.00	27937.00	25905.00	22884.00	26030.00	20041.00
C17 H2 N	69202.00	69083.00	57773.00	57823.00	56992.00	55493.00	53088.00	50396.00	19710.00	18094.00	49797.00	42414.00	56187.00	45651.00	65603.00	70314.00	67285.00	58919.00	55337.00	52070.00	55447.00	62684.00	38925.00	38996.00
Anilazine	58473.00	56335.00	59418.00	54560.00	57950.00	53913.00	57248.00	53984.00	60740.00	63370.00	56932.00	50665.00	59093.00	56825.00	52192.00	55757.00	41418.00	54534.00	61855.00	69296.00	50326.00	56674.00	58646.00	61523.00
N-Histidyl-2-Aminonaphthalene (?NA)	60370.00	57275.00	32021.00	29583.00	50488.00	61147.00	30812.00	24677.00	59993.00	60499.00	30852.00	29718.00	36598.00	34330.00	34799.00	29575.00	38831.00	48272.00	30653.00	26434.00	32972.00	28997.00	26302.00	26011.00
C8 N O3 S2	67107.00	80198.00	52498.00	48983.00	72303.00	63755.00	68901.00	72233.00	22182.00	23306.00	69688.00	71446.00	70519.00	70705.00	40109.00	44473.00	49300.00	49968.00	60913.00	67723.00	69054.00	68870.00	55779.00	51871.00
C16 H14 N12 O4	61094.00	49178.00	56914.00	38187.00	45347.00	44039.00	41072.00	40257.00	42478.00	35627.00	30848.00	34599.00	27534.00	30367.00	30302.00	33181.00	29715.00	25289.00	28867.00	20487.00	24259.00	21795.00	18376.00	19051.00
C17 H10 N8 O5	53470.00	52491.00	40998.00	38316.00	40879.00	42012.00	40718.00	39895.00	1.00	1.00	41093.00	40093.00	34335.00	38005.00	42904.00	45888.00	50472.00	53683.00	34633.00	36805.00	43700.00	46006.00	22513.00	22015.00
C27 H51 N O2 S	62518.00	61318.00	53502.00	57943.00	48953.00	54044.00	57266.00	71341.00	49322.00	66961.00	57625.00	56114.00	58047.00	60280.00	89553.00	101026.00	53916.00	53372.00	54911.00	65417.00	53805.00	47949.00	45938.00	57353.00
C17 H24 O3	29109.00	27253.00	34043.00	37165.00	43305.00	37222.00	39623.00	39592.00	26784.00	32502.00	42392.00	40017.00	27904.00	22838.00	48884.00	35926.00	28285.00	35958.00	31381.00	42697.00	37395.00	38416.00	26745.00	23498.00
C17 O18 S2	101872.00	101448.00	94695.00	91650.00	99059.00	97044.00	97350.00	99031.00	16966.00	15586.00	95801.00	95718.00	93843.00	97571.00	84827.00	85865.00	86977.00	85277.00	97354.00	98561.00	89109.00	96500.00	86924.00	77859.00
12-amino-octadecanoic acid	61061.00	53117.00	60770.00	45514.00	66198.00	45837.00	50776.00	36978.00	79975.00	61953.00	57928.00	62394.00	50734.00	54152.00	68909.00	69417.00	52694.00	74131.00	53327.00	64642.00	53231.00	40620.00	44736.00	63245.00
CCCP	40849.00	53596.00	74865.00	70988.00	74038.00	83527.00	57319.00	64259.00	11983.00	1.00	51012.00	47318.00	62650.00	66753.00	70770.00	50103.00	75679.00	71476.00	70358.00	63748.00	71652.00	71141.00	70996.00	54113.00
C21 H5 N6 O19	46723.00	35514.00	41952.00	39253.00	35377.00	39218.00	40011.00	46983.00	47863.00	43441.00	40219.00	39769.00	39797.00	37520.00	52822.00	41881.00	58719.00	54285.00	39008.00	39692.00	36392.00	40526.00	37817.00	42354.00
C37 H16 N9 O2 S	27491.00	30625.00	38234.00	27960.00	39808.00	26740.00	28416.00	29210.00	27839.00	29238.00	43628.00	27944.00	31326.00	27298.00	32603.00	26405.00	28575.00	27961.00	27204.00	28801.00	33530.00	24857.00	53781.00	26379.00
C27 H47 N8 O3	53383.00	34320.00	37947.00	38108.00	51072.00	36577.00	30341.00	27374.00	62280.00	32867.00	31330.00	36567.00	45548.00	31533.00	52561.00	52806.00	37588.00	31819.00	52540.00	50646.00	48828.00	37155.00	44643.00	39353.00
C29 H53 N2 O4	20363.00	1.00	1.00	1.00	68109.00	13695.00	32416.00	19836.00	23496.00	29178.00	27866.00	1.00	20419.00	31631.00	58057.00	34720.00	1.00	40926.00	1.00	1.00	1.00	25238.00	35596.00	1.00
Diphenylcarbazide Esi+9.031999	35936.00	35209.00	48063.00	47681.00	41060.00	35432.00	39217.00	42703.00	28617.00	34856.00	21776.00	24043.00	25671.00	31310.00	22596.00	29734.00	25306.00	28408.00	30131.00	29696.00	35834.00	36135.00	39423.00	36224.00
N-(3-oxo-octanoyl)-homoserine lactone	48755.00	41502.00	47357.00	47460.00	50102.00	41381.00	50425.00	42162.00	49648.00	44457.00	48106.00	42258.00	41736.00	41722.00	44233.00	45659.00	44400.00	44100.00	40832.00	41963.00	46178.00	41803.00	47056.00	44285.00
C10 O4	33372.00	36393.00	54711.00	70634.00	20335.00	43283.00	36008.00	36787.00	12024.00	17734.00	27633.00	44079.00	42038.00	41604.00	20815.00	40710.00	37935.00	38172.00	32402.00	45100.00	36514.00	39397.00	28558.00	38513.00
C22 H7 N6 O19	60312.00	48827.00	52292.00	53790.00	55461.00	42583.00	46415.00	60891.00	61500.00	54688.00	48957.00	58839.00	45602.00	49348.00	53213.00	51920.00	52674.00	52193.00	53983.00	52855.00	51830.00	45946.00	49945.00	52467.00
Norcocaine nitroxide	35295.00	32123.00	43709.00	43429.00	48795.00	52297.00	15335.00	16862.00	1.00	1.00	13196.00	13450.00	41842.00	43662.00	44406.00	44541.00	57368.00	56844.00	24605.00	27018.00	42585.00	43966.00	25813.00	28290.00
C21 H9 N4 O18 S	55119.00	46225.00	60894.00	49254.00	53971.00	54235.00	56840.00	53560.00	59562.00	57195.00	58326.00	55439.00	58366.00	48883.00	50078.00	61549.00	46918.00	51603.00	55310.00	51153.00	54283.00	47087.00	45820.00	58672.00
PC(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	56488.00	53355.00	59765.00	56964.00	54629.00	65610.00	57535.00	57004.00	1.00	1.00	59215.00	61482.00	59244.00	57099.00	54380.00	57945.00	53297.00	53511.00	58138.00	60320.00	55619.00	59207.00	41299.00	40678.00
C4 N O3 S2	43445.00	44080.00	28067.00	24162.00	27904.00	23855.00	27111.00	26630.00	56421.00	58042.00	31671.00	26844.00	27906.00	30387.00	29127.00	27798.00	26523.00	25486.00	29466.00	33297.00	30225.00	26381.00	29759.00	30043.00
C6 H2 N3 O2 Esi+11.786001	30410.00	31366.00	30768.00	27123.00	30318.00	29657.00	27035.00	26141.00	28721.00	29938.00	54660.00	49415.00	31728.00	27641.00	26410.00	26203.00	25862.00	23760.00	25496.00	26870.00	23714.00	29934.00	25072.00	24164.00
C20 H7 N4 O18 S	51083.00	47906.00	45582.00	35320.00	37199.00	39511.00	37729.00	41442.00	46459.00	48629.00	37384.00	39411.00	40978.00	41308.00	43785.00	50714.00	55160.00	61112.00	42150.00	46428.00	36847.00	34307.00	34302.00	42397.00
5-Hydroxymethyl-2-furaldehyde	60016.00	54064.00	38797.00	34749.00	47771.00	40676.00	45739.00	44986.00	18063.00	9766.00	41265.00	37847.00	40191.00	37780.00	47163.00	41069.00	49331.00	42788.00	52691.00	39931.00	44601.00	51833.00	27596.00	36940.00
C18 H3 N4 O17 S	49124.00	42393.00	38482.00	40343.00	45182.00	40886.00	40612.00	41342.00	48380.00	48304.00	34453.00	38107.00	43982.00	40073.00	48411.00	51198.00	55451.00	57348.00	42967.00	39077.00	39493.00	38079.00	35666.00	30532.00
C46 H93 Cl2 N6	50029.00	49625.00	42466.00	43805.00	48897.00	50787.00	51811.00	49770.00	1.00	1.00	48638.00	52783.00	45468.00	42381.00	39426.00	45053.00	42423.00	42679.00	51080.00	46744.00	49313.00	49650.00	38031.00	38938.00
C7 H7 N5 O3	55143.00	54727.00	43822.00	43666.00	51693.00	49424.00	40793.00	39755.00	57288.00	50552.00	37621.00	40655.00	45944.00	44039.00	45709.00	59885.00	42288.00	41497.00	40374.00	40353.00	46844.00	47946.00	54978.00	56695.00
C51 H77 N9 O2	54966.00	52513.00	51412.00	48566.00	52848.00	52303.00	53834.00	51985.00	1.00	1.00	47608.00	44163.00	47745.00	51864.00	44490.00	47141.00	46592.00	49797.00	49422.00	46967.00	44086.00	46680.00	43599.00	41270.00
Dihydrojasmonic Acid, Methyl Ester	48103.00	47486.00	29319.00	33411.00	36337.00	35275.00	24954.00	22508.00	22425.00	28269.00	29718.00	28453.00	26858.00	24008.00	23834.00	29554.00	35032.00	36981.00	32878.00	32535.00	31145.00	24667.00	28589.00	24015.00
C10 H18 N2	77363.00	54806.00	49698.00	45340.00	59043.00	50025.00	45398.00	59213.00	50813.00	55765.00	53392.00	51973.00	48263.00	53833.00	50766.00	56663.00	47425.00	49493.00	57279.00	66391.00	51447.00	44632.00	48212.00	55399.00
C23 H21 N18 O2	21766.00	24078.00	25246.00	23700.00	25422.00	26059.00	23876.00	24782.00	28313.00	32208.00	23320.00	21404.00	24480.00	23876.00	26903.00	32222.00	24101.00	27984.00	23179.00	18449.00	24957.00	25276.00	35667.00	32963.00
C41 H73 N5 O3 S	81797.00	83161.00	48090.00	45633.00	119999.00	89659.00	42661.00	36276.00	99868.00	119482.00	27331.00	49520.00	82702.00	70203.00	52000.00	64673.00	96291.00	101566.00	38008.00	29958.00	48309.00	54971.00	48613.00	45335.00
C35 H61 N5 S Esi+13.082	101553.00	112143.00	83684.00	90202.00	120689.00	108116.00	75931.00	50594.00	97093.00	115198.00	27098.00	37151.00	106789.00	108280.00	90171.00	94595.00	100401.00	87101.00	80502.00	73695.00	65532.00	77370.00	74594.00	71143.00
C7 H10 N2 O2	62685.00	43410.00	81478.00	69554.00	74115.00	66680.00	26710.00	37616.00	1.00	1.00	72634.00	68712.00	56849.00	53972.00	98206.00	98429.00	63087.00	62667.00	75604.00	88251.00	131318.00	120874.00	51788.00	44725.00
C32 H61 N15 O Esi+13.049002	98916.00	98852.00	59113.00	45229.00	102053.00	108842.00	47373.00	25653.00	127019.00	123805.00	42548.00	40929.00	94497.00	79831.00	71702.00	49403.00	96756.00	105287.00	34214.00	63524.00	64026.00	48651.00	51018.00	51626.00
C36 H75 N19 O7	40673.00	51010.00	46245.00	47199.00	51203.00	51511.00	51326.00	48462.00	1.00	1.00	49401.00	52313.00	49890.00	46928.00	43974.00	41564.00	42252.00	43041.00	50084.00	49724.00	48889.00	47540.00	36479.00	36051.00
Gly-Asn-OH	22955.00	21369.00	21474.00	20145.00	14346.00	16853.00	13689.00	13182.00	7775.00	8731.00	22788.00	25451.00	14182.00	13942.00	16996.00	15197.00	17225.00	20196.00	13701.00	15615.00	19180.00	17478.00	7393.00	7410.00
C13 H4 N2 O12 S2	85823.00	86303.00	78120.00	84096.00	88021.00	89978.00	84345.00	90936.00	20306.00	19301.00	83908.00	87686.00	86256.00	85229.00	76563.00	79358.00	82676.00	79224.00	82242.00	86732.00	81675.00	81358.00	72502.00	76952.00
C14 H Cl3 O14 S4	47849.00	48657.00	37578.00	41320.00	46616.00	38234.00	45678.00	42522.00	1.00	1.00	43525.00	40023.00	43173.00	43630.00	37509.00	36621.00	38611.00	38826.00	38773.00	45459.00	40920.00	43079.00	30948.00	28427.00
OTK	44023.00	42896.00	41248.00	46064.00	46479.00	38851.00	40680.00	45209.00	42954.00	42203.00	48052.00	52323.00	42592.00	44673.00	49473.00	47457.00	46077.00	49080.00	50560.00	47878.00	44651.00	46843.00	46048.00	45961.00
2-Oxo-4-methylthiobutanoic acid	50606.00	54197.00	42569.00	44504.00	40510.00	42971.00	47128.00	45689.00	57358.00	54853.00	49020.00	45461.00	37376.00	40568.00	37708.00	34927.00	31094.00	35022.00	35838.00	34525.00	36483.00	35573.00	41674.00	40478.00
N-acyl capnines Esi+12.408998 :1	126587.00	128288.00	98276.00	82852.00	114371.00	134481.00	79494.00	74165.00	163160.00	163315.00	100903.00	86569.00	106961.00	108074.00	96193.00	102114.00	135387.00	132322.00	81883.00	83046.00	103940.00	106527.00	81096.00	85563.00
4,4'-Biphenyldithiol Esi+0.8840002	686559.00	672631.00	494129.00	466040.00	382403.00	371314.00	373656.00	395169.00	190621.00	181645.00	365007.00	365788.00	376017.00	369667.00	609020.00	548606.00	502540.00	468388.00	332872.00	366164.00	445289.00	445874.00	274462.00	287675.00
o-Xylene	32011.00	25223.00	13877.00	13832.00	25825.00	26542.00	52259.00	47661.00	25053.00	26657.00	16268.00	15455.00	24371.00	21940.00	18115.00	17735.00	24899.00	26212.00	21178.00	18212.00	26210.00	25825.00	28565.00	26331.00
C30 H47 N15	49260.00	53997.00	51043.00	48774.00	54008.00	49608.00	47539.00	40751.00	53457.00	44421.00	41198.00	52925.00	42071.00	37960.00	43800.00	38222.00	47775.00	34966.00	37898.00	41281.00	40523.00	47889.00	43890.00	39142.00
C39 H79 N8 O10	38483.00	33221.00	24795.00	21716.00	46848.00	51094.00	27898.00	28415.00	44240.00	43772.00	29015.00	32969.00	27354.00	33208.00	43284.00	39304.00	41149.00	41397.00	29517.00	32013.00	30481.00	30379.00	32238.00	29142.00
C32 H69 N11 O S2	31480.00	47574.00	50145.00	61729.00	57170.00	54206.00	52497.00	54832.00	50139.00	41634.00	69658.00	38199.00	46149.00	61776.00	51443.00	51089.00	68828.00	50767.00	39131.00	70716.00	56331.00	45104.00	49167.00	59836.00
C20 H34 N7 Esi+11.974	28266.00	27207.00	22190.00	28046.00	24661.00	28489.00	24047.00	8164.00	26802.00	28166.00	24002.00	8693.00	19431.00	25199.00	24215.00	24676.00	23005.00	13659.00	24780.00	18062.00	28908.00	141240.00	36583.00	37122.00
C8 H18 O4	21650.00	35213.00	29610.00	25921.00	27587.00	16698.00	22975.00	25178.00	15223.00	21275.00	28019.00	24308.00	28253.00	15681.00	25377.00	22509.00	20437.00	27535.00	16438.00	25468.00	25996.00	28498.00	15392.00	28022.00
l-2-hydroxy-decanoic acid Esi+5.068 :1	696730.00	624384.00	160237.00	124453.00	260217.00	279677.00	239382.00	276437.00	293097.00	365402.00	299756.00	229975.00	335707.00	419033.00	62268.00	62965.00	272706.00	283700.00	607829.00	622633.00	71643.00	60571.00	182719.00	155526.00
Vitamin D3 butyrate	52939.00	49858.00	49064.00	52117.00	48304.00	56693.00	50981.00	54579.00	55357.00	46943.00	53029.00	48849.00	55810.00	45265.00	55459.00	56499.00	46822.00	50374.00	41043.00	51318.00	55308.00	52187.00	51145.00	55031.00
C24 H Cl N2 O11 S5	49819.00	48524.00	42417.00	42869.00	45710.00	46679.00	47651.00	49004.00	9376.00	7105.00	50997.00	48623.00	45378.00	45711.00	38786.00	33548.00	39599.00	37671.00	47279.00	47496.00	42171.00	39905.00	36385.00	38177.00
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/17:1(9Z))	43909.00	41839.00	50383.00	46812.00	48534.00	46238.00	46870.00	44372.00	1.00	1.00	45276.00	49134.00	47353.00	44285.00	44267.00	44724.00	41174.00	47100.00	42051.00	48337.00	46024.00	47842.00	29776.00	31904.00
C13 H2 N O8	58485.00	50265.00	42024.00	44488.00	50368.00	43522.00	44358.00	48877.00	7318.00	1.00	42338.00	39788.00	45164.00	44409.00	40741.00	46702.00	46566.00	43867.00	42776.00	41173.00	44715.00	44323.00	31143.00	28906.00
C24 H24 N2 O5	52259.00	44342.00	49179.00	46094.00	47056.00	43953.00	44681.00	50302.00	44511.00	45579.00	45849.00	44447.00	45435.00	44928.00	43381.00	48364.00	41804.00	40287.00	47914.00	45958.00	47739.00	42540.00	44778.00	46399.00
C25 H55 N23 O7	35054.00	33638.00	46441.00	44431.00	38497.00	42919.00	38200.00	36752.00	1.00	1.00	39177.00	38082.00	40984.00	40352.00	39903.00	41115.00	46836.00	42608.00	33964.00	36722.00	40973.00	43266.00	26923.00	29587.00
2-oxo-docosanoic acid	21754.00	20960.00	10158.00	8625.00	26770.00	24041.00	18676.00	21227.00	16141.00	19872.00	17291.00	18276.00	14513.00	22195.00	7774.00	12082.00	7388.00	12851.00	45994.00	53062.00	1.00	1.00	8276.00	21105.00
C4 H5 Cl3 N3 O S2	57797.00	59059.00	56816.00	53995.00	57015.00	57682.00	55385.00	57970.00	12337.00	13577.00	51189.00	54491.00	53153.00	52565.00	54029.00	34320.00	59709.00	56081.00	47936.00	49246.00	51949.00	55416.00	45879.00	41776.00
C32 H37 N4 O3	57457.00	59539.00	19416.00	23770.00	13546.00	11286.00	1.00	1.00	9753.00	9177.00	1.00	1.00	17828.00	19402.00	20866.00	20633.00	13493.00	10670.00	1.00	1.00	1.00	7579.00	1.00	1.00
C40 H22 N9 O2 S2	31626.00	31473.00	38153.00	31385.00	35635.00	30178.00	27552.00	28191.00	30236.00	27412.00	40363.00	31737.00	32494.00	29517.00	33329.00	28222.00	30848.00	31764.00	27929.00	27011.00	34857.00	26208.00	48415.00	30330.00
2-methyl-tridecanedioic acid	33589.00	37227.00	31323.00	30541.00	35528.00	30837.00	32633.00	27835.00	41322.00	29218.00	39338.00	41203.00	37206.00	30821.00	32989.00	31318.00	40077.00	27175.00	37872.00	36998.00	30627.00	30141.00	34007.00	32768.00
C35 H57 N O2	49065.00	60814.00	46052.00	48258.00	72352.00	66697.00	57988.00	47044.00	54509.00	48044.00	25252.00	52151.00	49124.00	62324.00	67678.00	64418.00	46517.00	61289.00	63360.00	44277.00	62706.00	44436.00	21142.00	74532.00
C21 H7 N O18 S	59398.00	48320.00	48137.00	50597.00	54055.00	56188.00	54246.00	58040.00	55227.00	49380.00	48612.00	46135.00	52348.00	52549.00	56351.00	49458.00	57664.00	57522.00	48148.00	51779.00	49368.00	49852.00	51461.00	48911.00
C30 H49 N8 O2	54371.00	56253.00	37291.00	45274.00	39278.00	48853.00	50288.00	53379.00	40391.00	40758.00	62727.00	43487.00	47144.00	47394.00	38175.00	36295.00	43960.00	50768.00	51990.00	40884.00	40695.00	43888.00	48566.00	30754.00
Trp Gly Val	1.00	1.00	46042.00	39912.00	21434.00	20127.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	18009.00	18779.00	1.00	1.00	1.00	1.00	1.00	1.00
3,3'-Dihydroxychalcone	11724.00	13383.00	13726.00	16028.00	9005.00	9953.00	34340.00	38018.00	11286.00	14856.00	9569.00	7817.00	10540.00	12223.00	49923.00	48972.00	8372.00	1.00	1.00	1.00	1.00	1.00	10455.00	8003.00
Methiothepin Esi+10.617999	50956.00	50098.00	46166.00	46431.00	46528.00	55968.00	49576.00	29030.00	49741.00	37157.00	50760.00	54045.00	35581.00	39189.00	46062.00	45579.00	43317.00	43196.00	48855.00	46937.00	40121.00	48920.00	37676.00	48941.00
C41 H27 N19	68468.00	64811.00	73193.00	67151.00	70446.00	67690.00	63082.00	66895.00	63177.00	62666.00	62168.00	62930.00	65431.00	65030.00	63453.00	63702.00	61680.00	62831.00	62816.00	65239.00	62771.00	65380.00	63698.00	59852.00
C19 H35 N2 O20	33457.00	32615.00	29597.00	30134.00	31685.00	31149.00	27804.00	33380.00	36519.00	36336.00	32043.00	29585.00	33081.00	31065.00	34602.00	49280.00	25110.00	36627.00	26527.00	28573.00	30728.00	34434.00	36133.00	39560.00
C15 H10 N6 O14	52596.00	50518.00	26570.00	28267.00	40162.00	39235.00	35386.00	37018.00	1.00	1.00	33491.00	30565.00	30575.00	33382.00	36416.00	36168.00	36701.00	37901.00	28784.00	33045.00	39377.00	36309.00	14464.00	16034.00
C15 H13 N11 O2	7196.00	8871.00	38649.00	36618.00	28655.00	32170.00	51995.00	45366.00	1.00	1.00	32550.00	32564.00	29368.00	29965.00	36555.00	37231.00	37003.00	38438.00	41882.00	40994.00	25663.00	22829.00	36855.00	37303.00
C27 H57 N11 O2	47882.00	44201.00	24697.00	68699.00	43281.00	24480.00	38084.00	44113.00	40692.00	52868.00	60710.00	23700.00	38184.00	31531.00	59433.00	40118.00	45744.00	44262.00	22900.00	40973.00	57339.00	41406.00	22739.00	49476.00
Obtusilic acid Esi+5.067001 :1	317025.00	299415.00	66737.00	217472.00	155428.00	149397.00	135970.00	132262.00	212522.00	175094.00	163351.00	146009.00	232803.00	234098.00	100193.00	89960.00	123838.00	140282.00	453723.00	473008.00	34662.00	130193.00	86343.00	91976.00
C19 H29 N2 O	50761.00	38098.00	61538.00	46525.00	35159.00	49431.00	52591.00	46597.00	48271.00	48819.00	44939.00	57498.00	47023.00	37479.00	30527.00	43273.00	47786.00	34309.00	60002.00	45897.00	55215.00	47722.00	52129.00	37038.00
C12 H26 O3 Esi+7.195	18942.00	19955.00	1.00	1.00	14930.00	18195.00	1.00	1.00	13966.00	19451.00	10648.00	9732.00	16332.00	12116.00	1.00	1.00	1.00	12243.00	40995.00	34436.00	1.00	1.00	1.00	1.00
C6 H7 O5 S	54640.00	47124.00	34523.00	35805.00	57322.00	48583.00	43702.00	51214.00	1.00	1.00	44336.00	42027.00	56875.00	62899.00	28676.00	30175.00	35429.00	34690.00	43704.00	46331.00	54420.00	52884.00	37543.00	32525.00
C27 H49 N	49049.00	48039.00	50216.00	56029.00	44755.00	55758.00	51751.00	53495.00	51450.00	52984.00	46808.00	51429.00	54433.00	43806.00	49763.00	47261.00	47454.00	49621.00	66155.00	57031.00	48457.00	50151.00	49112.00	50772.00
N4-Acetylcytidine	60732.00	58502.00	53785.00	53624.00	45379.00	41872.00	35010.00	33506.00	1.00	8035.00	55940.00	53791.00	45404.00	50057.00	45335.00	41788.00	54150.00	51176.00	51618.00	46301.00	51926.00	48941.00	19072.00	19951.00
C34 H69 N21 O8	43844.00	44966.00	43008.00	42698.00	48131.00	46542.00	41408.00	43681.00	1.00	1.00	45484.00	43444.00	44614.00	46733.00	42193.00	40804.00	43926.00	39816.00	38021.00	42298.00	40052.00	46881.00	30854.00	32504.00
C30 H57 N15	83667.00	78324.00	78087.00	52839.00	84707.00	56209.00	58863.00	87121.00	80671.00	30638.00	64593.00	76310.00	74048.00	42712.00	94201.00	83726.00	64919.00	70804.00	64091.00	45828.00	61635.00	72131.00	77019.00	52786.00
Pentanoylcarnitine	43677.00	44595.00	21765.00	19540.00	26721.00	26510.00	20264.00	16929.00	15587.00	17954.00	18364.00	17684.00	17137.00	24442.00	49376.00	43303.00	38511.00	35325.00	29263.00	27417.00	17003.00	16526.00	19618.00	20997.00
Ripazepam	28107.00	46243.00	39330.00	42821.00	37140.00	40918.00	38001.00	25784.00	30793.00	25128.00	26288.00	22066.00	24085.00	32084.00	40964.00	36419.00	34791.00	46519.00	34119.00	37791.00	24872.00	27157.00	30880.00	23908.00
C24 H32 N19 O7	1.00	1.00	51852.00	52989.00	18969.00	20420.00	19510.00	20195.00	1.00	1.00	33469.00	28978.00	1.00	6707.00	1.00	1.00	17395.00	15987.00	1.00	1.00	15152.00	14832.00	1.00	1.00
C23 H48 N6 O21 S	41011.00	40144.00	37342.00	36553.00	44929.00	38572.00	41745.00	32609.00	43664.00	43514.00	42546.00	39117.00	38246.00	40041.00	45926.00	39305.00	36893.00	39877.00	37670.00	37715.00	40558.00	42445.00	48692.00	49089.00
C41 H81 N4 O S3	39595.00	43417.00	49681.00	52835.00	53408.00	48734.00	52187.00	49425.00	1.00	1.00	49703.00	47596.00	45812.00	48282.00	48677.00	53383.00	52671.00	49934.00	46646.00	46232.00	50438.00	51180.00	31908.00	34976.00
C41 H89 N9 O6	42806.00	44763.00	48395.00	47662.00	48675.00	50265.00	47993.00	48846.00	1.00	1.00	52704.00	48350.00	49527.00	43672.00	44055.00	49263.00	38614.00	46446.00	45260.00	51499.00	39360.00	47712.00	41573.00	34038.00
C11 H18 N6 O2	53065.00	43118.00	35461.00	25942.00	23805.00	28857.00	19039.00	26287.00	24362.00	24635.00	25426.00	24959.00	28823.00	20931.00	13038.00	17504.00	28454.00	31343.00	25586.00	36911.00	26066.00	22331.00	24465.00	23427.00
(-)-Chimonanthine Esi+7.5030017	40816.00	48664.00	16130.00	18085.00	23542.00	24992.00	15102.00	16056.00	8191.00	8819.00	29587.00	26469.00	19587.00	21590.00	17703.00	19670.00	14198.00	17284.00	40256.00	37422.00	24087.00	26336.00	27882.00	25599.00
C17 H37 N	37310.00	42277.00	36360.00	37894.00	34454.00	35268.00	54956.00	45789.00	32522.00	32053.00	36621.00	32499.00	36241.00	35372.00	54666.00	41073.00	37469.00	38197.00	39493.00	33426.00	31007.00	31019.00	36935.00	34388.00
Oxidized Photinus luciferin	55601.00	45817.00	56878.00	53285.00	54003.00	54443.00	48308.00	45431.00	1.00	1.00	58727.00	55241.00	48040.00	47218.00	44644.00	55053.00	49484.00	49770.00	44699.00	46447.00	49735.00	50640.00	34883.00	36607.00
C38 H79 N8 O3 S2	61408.00	96708.00	62911.00	44487.00	84193.00	73477.00	24507.00	23697.00	75812.00	79446.00	33542.00	20985.00	48255.00	67911.00	44334.00	44680.00	63833.00	65699.00	27107.00	24519.00	50185.00	41071.00	31970.00	40795.00
C22 H47 N11 O2	55563.00	56320.00	48154.00	66383.00	50568.00	49911.00	53723.00	60598.00	69210.00	49257.00	47462.00	63282.00	52209.00	60694.00	70228.00	46843.00	59468.00	65870.00	41142.00	46892.00	64606.00	49694.00	46223.00	43921.00
C6 H9 N5 O4	55897.00	56563.00	54065.00	51880.00	55560.00	48332.00	47240.00	43127.00	50678.00	50103.00	46458.00	45795.00	48429.00	44892.00	51738.00	62108.00	42460.00	48772.00	43529.00	42737.00	44207.00	46426.00	57713.00	53347.00
C24 H22 N3 O2	54846.00	59404.00	54027.00	41788.00	56658.00	52973.00	58683.00	57151.00	56783.00	57665.00	52889.00	58538.00	48711.00	48453.00	55738.00	52076.00	62105.00	55620.00	60723.00	63021.00	49489.00	70512.00	53379.00	54965.00
C45 H91 N7 O	54316.00	49173.00	46121.00	42829.00	49801.00	42686.00	48304.00	51829.00	1.00	1.00	47835.00	49805.00	45192.00	45950.00	41643.00	46633.00	40880.00	41104.00	46936.00	50066.00	46218.00	47591.00	37056.00	40940.00
Agavegenin A	42285.00	44440.00	40826.00	40580.00	46102.00	49578.00	34111.00	32514.00	48394.00	33332.00	40831.00	38300.00	49425.00	44138.00	36284.00	47100.00	35617.00	29143.00	34351.00	60162.00	46257.00	43004.00	36910.00	46223.00
C6 O S2	105014.00	106714.00	84501.00	78816.00	80058.00	82558.00	93218.00	94159.00	39134.00	37360.00	79219.00	72927.00	79712.00	82752.00	163957.00	174118.00	105967.00	104141.00	118917.00	123506.00	81839.00	82942.00	95067.00	91651.00
C47 H99 Cl3 N5	44565.00	45039.00	42419.00	42901.00	44449.00	44684.00	43806.00	41135.00	1.00	1.00	42817.00	40143.00	44545.00	41260.00	36417.00	39069.00	39601.00	38520.00	46880.00	43565.00	42446.00	36226.00	32858.00	32559.00
C11 O5 S	45972.00	46315.00	51923.00	51285.00	52206.00	48378.00	48991.00	49847.00	13664.00	12846.00	49914.00	48191.00	48256.00	49914.00	48163.00	50385.00	52379.00	50527.00	49801.00	51707.00	48895.00	49520.00	44605.00	44099.00
PI(O-18:0/16:0)	43584.00	43946.00	45878.00	43746.00	44574.00	44666.00	44133.00	47651.00	1.00	1.00	45464.00	41848.00	44668.00	45711.00	42561.00	41109.00	42379.00	42320.00	43211.00	44503.00	43923.00	42221.00	33663.00	34582.00
C7 H4 O	23265.00	9577.00	16624.00	19426.00	17959.00	19644.00	20669.00	18102.00	28095.00	26051.00	18478.00	19127.00	18400.00	16787.00	21560.00	20821.00	17811.00	17046.00	17050.00	21627.00	22983.00	21748.00	19369.00	15855.00
Astragaloside IV	38868.00	41938.00	47215.00	50219.00	48139.00	47316.00	42847.00	47226.00	1.00	1.00	42528.00	43312.00	48495.00	44904.00	48628.00	50425.00	49596.00	51493.00	41695.00	42163.00	48988.00	49027.00	31287.00	30126.00
GlcCer(d18:0/14:0)	43782.00	43390.00	52106.00	54622.00	49072.00	51472.00	50710.00	51134.00	1.00	1.00	47867.00	44722.00	50387.00	48862.00	49950.00	53976.00	51577.00	52027.00	44040.00	46063.00	52469.00	50696.00	35638.00	34182.00
Anhydroeschscholtzxanthin	55855.00	60791.00	56322.00	61472.00	56281.00	58380.00	55888.00	53274.00	57992.00	61503.00	51146.00	50689.00	60239.00	53830.00	60058.00	56741.00	56891.00	52444.00	56129.00	57692.00	48647.00	47830.00	58534.00	57236.00
C42 H83 N5 O11	53398.00	64745.00	42009.00	40402.00	81095.00	68097.00	33665.00	36500.00	77340.00	84516.00	33904.00	44883.00	37753.00	36677.00	69768.00	57838.00	76311.00	71056.00	51037.00	54626.00	49123.00	57797.00	46253.00	50427.00
C18 H27 N5 O4 Esi+9.322002	21056.00	18714.00	78002.00	67354.00	32778.00	32481.00	1.00	10866.00	15403.00	12352.00	12159.00	11629.00	14182.00	8550.00	1.00	10761.00	28196.00	31244.00	12365.00	10572.00	1.00	1.00	12190.00	12101.00
C32 H69 N27 O5 S	51353.00	47427.00	46731.00	41410.00	45914.00	43076.00	41972.00	44235.00	1.00	1.00	42989.00	42467.00	43663.00	38563.00	37814.00	37371.00	37300.00	38830.00	48719.00	43269.00	39167.00	41601.00	31233.00	30327.00
Asn Glu Asn	21385.00	19694.00	26142.00	26387.00	17700.00	18560.00	19597.00	20643.00	1.00	1.00	18992.00	22645.00	18293.00	19726.00	46567.00	45470.00	47020.00	44200.00	28514.00	23849.00	53743.00	55188.00	18327.00	19508.00
C23 H40 N2 O	106460.00	55794.00	61374.00	48467.00	72442.00	66248.00	87962.00	76538.00	104229.00	98327.00	48382.00	86138.00	63717.00	60122.00	40512.00	15079.00	75665.00	80772.00	75510.00	65772.00	93756.00	67919.00	122707.00	128107.00
C19 H26 N6	43709.00	41189.00	55288.00	53474.00	45645.00	47283.00	47297.00	43290.00	45925.00	55727.00	44966.00	48120.00	49966.00	36519.00	46737.00	50790.00	47353.00	41569.00	46234.00	42862.00	45848.00	42938.00	40998.00	51568.00
C41 H85 N	44994.00	41679.00	26793.00	34739.00	39500.00	27632.00	46000.00	39952.00	1.00	1.00	28897.00	36335.00	30701.00	38104.00	36381.00	35379.00	36701.00	38453.00	30124.00	34540.00	35297.00	21123.00	15993.00	12457.00
Terbinafine metabolite	84323.00	77384.00	83001.00	60997.00	64994.00	74844.00	69614.00	79432.00	72518.00	67539.00	73123.00	65582.00	78533.00	71242.00	75324.00	82019.00	71147.00	79566.00	74981.00	77268.00	76467.00	78845.00	53989.00	67673.00
Lys Leu	38904.00	35275.00	50790.00	47400.00	43638.00	39438.00	32204.00	36175.00	1.00	1.00	31254.00	29040.00	43257.00	43075.00	37609.00	36000.00	43263.00	43073.00	28505.00	32550.00	40416.00	38114.00	18533.00	20601.00
C9 H20 N2	50559.00	49381.00	49303.00	52276.00	50237.00	47409.00	48744.00	58001.00	53084.00	50446.00	54885.00	50665.00	46776.00	50114.00	55677.00	50961.00	44273.00	50000.00	48415.00	49091.00	53536.00	43541.00	50609.00	43252.00
2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-2,4-dienoate	29238.00	35156.00	33472.00	33442.00	33150.00	40921.00	26569.00	35603.00	31069.00	38425.00	30549.00	31059.00	26203.00	36694.00	28660.00	36265.00	26774.00	31455.00	25933.00	28172.00	36523.00	28723.00	31620.00	35752.00
5,4'-Dihydroxy-7-methoxy-6-C-prenylflavanone	53192.00	42348.00	76141.00	77874.00	60812.00	61868.00	65669.00	63986.00	1.00	1.00	364608.00	174166.00	50860.00	49256.00	194944.00	204377.00	115663.00	117735.00	39543.00	42432.00	128246.00	135056.00	25263.00	29556.00
C30 H57 N O9 Esi+11.726999	38793.00	27366.00	24921.00	20776.00	32173.00	30922.00	25609.00	23676.00	28362.00	35754.00	31606.00	25780.00	29018.00	32062.00	38971.00	30379.00	27620.00	22311.00	46680.00	45868.00	24833.00	28978.00	35328.00	28597.00
C4 H6 N2 O8	52748.00	53744.00	39542.00	40673.00	46416.00	44959.00	49026.00	42847.00	1.00	1.00	37601.00	36887.00	41815.00	44871.00	45110.00	42403.00	37977.00	42215.00	43150.00	44604.00	43271.00	42878.00	25220.00	23582.00
8-Hydroxy-4,8-dimethyl-4E,9-decadienoic acid	45368.00	33793.00	37721.00	34719.00	33931.00	33888.00	31845.00	33917.00	41093.00	25785.00	30608.00	23731.00	28537.00	28925.00	32071.00	24549.00	29334.00	32499.00	40080.00	42274.00	24696.00	21500.00	22960.00	20899.00
C11 H16 N4	29916.00	29718.00	32785.00	35360.00	27815.00	33532.00	31319.00	28430.00	48167.00	49061.00	23983.00	18071.00	19819.00	21686.00	18259.00	20363.00	20020.00	23598.00	22053.00	24812.00	32142.00	28448.00	28177.00	27069.00
4-[1-Ethyl-2-(4-methylphenyl)butyl]phenol	49946.00	48942.00	29106.00	28812.00	43076.00	44714.00	40046.00	39039.00	1.00	1.00	63840.00	61491.00	44125.00	45444.00	12517.00	11662.00	16566.00	14205.00	1.00	1.00	1.00	1.00	12735.00	1.00
(3R)-3-isopropenyl-6-oxoheptanoic acid Esi+4.751	33317.00	21446.00	20201.00	14319.00	14000.00	22082.00	16393.00	19349.00	19297.00	17695.00	18064.00	13649.00	20767.00	23121.00	9495.00	18356.00	19751.00	8372.00	22545.00	26794.00	18966.00	13270.00	14145.00	16139.00
3-Methylamino-1,2-propandiol Esi+0.97500026	35103.00	36391.00	32955.00	36398.00	31645.00	33340.00	28075.00	26034.00	30954.00	30491.00	28052.00	27962.00	35828.00	35857.00	42348.00	40666.00	34899.00	39537.00	24677.00	28229.00	24057.00	25755.00	28545.00	28961.00
C33 H55 N2 S	82823.00	90427.00	75467.00	52491.00	66073.00	103162.00	71706.00	72277.00	94292.00	100372.00	69569.00	49264.00	81212.00	78006.00	55582.00	72990.00	78329.00	90520.00	73728.00	73815.00	69266.00	83188.00	76901.00	53978.00
C36 H79 N18 O2	49403.00	50400.00	47211.00	43486.00	42934.00	53387.00	53821.00	47035.00	1.00	1.00	49369.00	46418.00	44808.00	47661.00	41718.00	41269.00	44730.00	43773.00	49285.00	52178.00	45078.00	44444.00	36479.00	38470.00
C22 H11 N4 O19 S	37169.00	37018.00	35270.00	30601.00	33544.00	33435.00	37665.00	39995.00	35968.00	42480.00	33102.00	30380.00	38085.00	35029.00	46955.00	45153.00	48353.00	49878.00	34434.00	42313.00	38114.00	32907.00	32825.00	34791.00
C34 H73 N23 O3	44020.00	42333.00	39319.00	41999.00	40753.00	42120.00	45648.00	43459.00	1.00	1.00	42952.00	44477.00	43645.00	43078.00	39285.00	39620.00	34818.00	41287.00	45115.00	42063.00	39508.00	38685.00	30894.00	31237.00
C27 H61 N21 O6	35011.00	33253.00	52012.00	50610.00	40271.00	46017.00	43643.00	41299.00	1.00	1.00	43542.00	43311.00	43288.00	48713.00	50318.00	51595.00	47741.00	49005.00	41591.00	34638.00	45897.00	43326.00	31968.00	26259.00
C13 H26 N10 O S2	30275.00	27358.00	21053.00	20333.00	24213.00	21011.00	30850.00	28640.00	1.00	1.00	19986.00	18022.00	26043.00	25165.00	45103.00	42163.00	44820.00	42532.00	36397.00	32597.00	50875.00	48184.00	22307.00	23006.00
C32 H71 N29 O2	45732.00	47431.00	40662.00	42667.00	48470.00	42948.00	46818.00	46209.00	1.00	1.00	42933.00	45273.00	49100.00	41179.00	36799.00	38605.00	42965.00	42430.00	44842.00	42301.00	41764.00	41492.00	36054.00	36979.00
C32 H69 N28 O2 S	40258.00	43654.00	39547.00	38498.00	41071.00	42410.00	43222.00	43416.00	1.00	1.00	45174.00	47209.00	41450.00	43227.00	37473.00	37068.00	40922.00	37466.00	35429.00	40916.00	36535.00	38624.00	36465.00	30777.00
C4 H3 N2 O3	27365.00	27111.00	37183.00	40341.00	42358.00	46439.00	37715.00	42454.00	7909.00	1.00	38736.00	35461.00	42605.00	39351.00	43177.00	42392.00	41782.00	41137.00	40228.00	36810.00	39610.00	36792.00	29013.00	24691.00
Trimethoprim	1.00	1.00	1.00	1.00	11890.00	13462.00	1.00	1.00	1.00	1.00	47231.00	45804.00	8197.00	9163.00	1.00	1.00	1.00	1.00	10562.00	10764.00	1.00	1.00	1.00	1.00
C14 H36 N13 O5	45291.00	44964.00	38207.00	39286.00	41137.00	37747.00	37568.00	39898.00	45699.00	36614.00	41547.00	43272.00	39641.00	38490.00	42708.00	50045.00	49855.00	42367.00	42609.00	44516.00	42025.00	34492.00	35981.00	42505.00
Triciribine	174263.00	205270.00	145239.00	158259.00	240121.00	252778.00	118579.00	129718.00	469174.00	498048.00	174791.00	181730.00	259974.00	274673.00	243295.00	262919.00	383054.00	426027.00	240770.00	244843.00	359972.00	377419.00	293127.00	310511.00
C14 O19 S	49785.00	52040.00	42316.00	46545.00	46105.00	51178.00	41849.00	49409.00	1.00	6021.00	46378.00	44143.00	48007.00	47978.00	40711.00	45402.00	42140.00	44445.00	43585.00	44701.00	40126.00	44840.00	35138.00	33082.00
C22 H53 N17 O2 S	29028.00	24168.00	17823.00	24578.00	24337.00	29687.00	23188.00	15128.00	22263.00	23458.00	18720.00	28062.00	15729.00	24599.00	32238.00	35203.00	22775.00	22429.00	46219.00	41613.00	18228.00	22406.00	23398.00	19448.00
Erucicoyl-EA Esi+12.747996	31299.00	27502.00	31287.00	32226.00	27165.00	22285.00	29436.00	34203.00	29199.00	29191.00	30795.00	27068.00	26607.00	29864.00	40120.00	27926.00	21657.00	31467.00	25804.00	28716.00	26531.00	37235.00	29240.00	26603.00
C3 H3 Cl N2 O3 S3	58224.00	54693.00	44594.00	40097.00	37448.00	39582.00	40509.00	38929.00	35763.00	33996.00	39687.00	37600.00	40440.00	38112.00	42654.00	44643.00	39062.00	37124.00	41922.00	44133.00	39655.00	40170.00	40617.00	39568.00
C33 H71 Cl2 N17 S	42235.00	39766.00	47467.00	45073.00	41742.00	41213.00	39250.00	42019.00	1.00	1.00	39938.00	37906.00	39345.00	37411.00	46865.00	44482.00	41706.00	43084.00	37772.00	35021.00	45320.00	41734.00	31573.00	28846.00
Graphinone	33349.00	30148.00	34816.00	32165.00	32378.00	30353.00	28710.00	31072.00	32956.00	36968.00	31341.00	33890.00	32327.00	24561.00	32361.00	28680.00	38851.00	32516.00	31462.00	31080.00	32133.00	28508.00	25545.00	29737.00
C3 H4 N3 O5	42306.00	45317.00	17383.00	13211.00	42789.00	43377.00	50442.00	49187.00	26108.00	25812.00	45323.00	47116.00	37927.00	38190.00	13022.00	9267.00	16340.00	13109.00	51067.00	52994.00	13355.00	12339.00	30958.00	31758.00
C8 H Cl3 N O9 S4	34989.00	38523.00	29955.00	14229.00	25951.00	25549.00	26197.00	26964.00	6392.00	7145.00	23916.00	24514.00	24704.00	16057.00	14802.00	23136.00	18182.00	21380.00	30341.00	24222.00	22771.00	23713.00	23645.00	27493.00
Ethyl-p-coumarate	29424.00	31288.00	26569.00	37415.00	34177.00	60932.00	40937.00	43860.00	52255.00	49873.00	34057.00	61048.00	39457.00	31289.00	44098.00	43004.00	38088.00	44926.00	30503.00	31927.00	66057.00	58413.00	35721.00	21227.00
C36 H39 N3	43316.00	38626.00	44443.00	42524.00	43168.00	39394.00	45326.00	42427.00	47116.00	43381.00	40011.00	39192.00	44498.00	37604.00	39533.00	38774.00	36622.00	38667.00	41177.00	35605.00	39304.00	41933.00	41849.00	37897.00
C25 H15 N O20 S	53508.00	40010.00	50398.00	49736.00	49871.00	49660.00	46595.00	54262.00	47704.00	53118.00	50501.00	52350.00	47981.00	50450.00	53715.00	46161.00	52934.00	57101.00	52011.00	48510.00	43152.00	49848.00	55007.00	49575.00
C40 H85 N11 O3 S2	35389.00	37025.00	31575.00	32785.00	35859.00	31551.00	27598.00	50579.00	41115.00	48841.00	21330.00	24721.00	26925.00	29103.00	37637.00	31301.00	44650.00	48394.00	26823.00	33001.00	28913.00	21779.00	32587.00	33585.00
C19 H7 N2 O22	61112.00	57662.00	53825.00	56706.00	54364.00	47232.00	50476.00	50044.00	51074.00	55311.00	47144.00	53933.00	47325.00	56230.00	49191.00	50969.00	57048.00	56143.00	56736.00	55764.00	53347.00	53272.00	55692.00	50320.00
(R)-Roscovitine	54814.00	43956.00	43015.00	42064.00	44841.00	49972.00	30631.00	29225.00	25545.00	29968.00	34438.00	30604.00	28301.00	28845.00	31991.00	28470.00	35659.00	33894.00	43235.00	41774.00	27781.00	26233.00	28700.00	28196.00
(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-27-oyl taurine	45834.00	42141.00	38357.00	39982.00	43063.00	40422.00	39388.00	45769.00	38347.00	41198.00	40812.00	36414.00	41362.00	40454.00	42191.00	40672.00	39282.00	41631.00	39421.00	42295.00	37927.00	36819.00	42935.00	41993.00
C32 H63 N18 O	59654.00	60247.00	41463.00	54869.00	59858.00	68004.00	30589.00	44887.00	32482.00	54088.00	46387.00	48131.00	49862.00	62848.00	40817.00	36227.00	44423.00	46811.00	111732.00	37340.00	58491.00	114059.00	58078.00	30195.00
C13 H29 N	52961.00	57474.00	47279.00	44592.00	63017.00	46574.00	51173.00	43825.00	48836.00	52700.00	50060.00	51603.00	54894.00	53151.00	50539.00	46678.00	52944.00	49733.00	42259.00	55729.00	54756.00	54579.00	44272.00	42699.00
C39 H63 N12 O4	55142.00	58413.00	56271.00	64140.00	83354.00	63841.00	47852.00	52546.00	85910.00	66782.00	45546.00	54214.00	48293.00	45890.00	55354.00	62648.00	43464.00	60480.00	43818.00	48865.00	82097.00	75870.00	57316.00	54382.00
5-D-(5/6)-5-C-(Hydroxymethyl)-2,6-dihydroxycyclohex-2-en-1-one Esi+1.0200003	134285.00	136702.00	146662.00	138374.00	139863.00	145495.00	132528.00	122564.00	24139.00	21445.00	113719.00	109092.00	113699.00	113565.00	161894.00	146659.00	142203.00	141063.00	127742.00	114924.00	161811.00	173610.00	88548.00	82621.00
C31 H57 N15 O	84275.00	48752.00	49568.00	61897.00	40817.00	44270.00	47723.00	31577.00	60489.00	48760.00	46823.00	78391.00	72049.00	50867.00	80483.00	50187.00	41823.00	48574.00	35876.00	58607.00	48894.00	48754.00	47955.00	73942.00
C29 H22 N12 O3	35329.00	33975.00	32062.00	30326.00	38331.00	34692.00	31498.00	31204.00	37834.00	36565.00	30186.00	29676.00	33354.00	31427.00	38371.00	39020.00	31724.00	36255.00	31540.00	30948.00	37274.00	34045.00	45943.00	37386.00
Hovetrichoside D	60794.00	64049.00	1.00	1.00	23819.00	24854.00	1.00	11279.00	33696.00	34710.00	1.00	1.00	13133.00	10014.00	15385.00	12243.00	32542.00	32554.00	11074.00	1.00	22465.00	21833.00	29295.00	30293.00
C53 H69 N14 O2	37778.00	39363.00	38557.00	35172.00	40090.00	38739.00	38835.00	39476.00	1.00	1.00	41187.00	36048.00	42712.00	38158.00	36916.00	40241.00	37296.00	41657.00	39614.00	37326.00	40410.00	41590.00	27882.00	28389.00
Xeniasterol-b	39141.00	43309.00	35958.00	30175.00	26282.00	35054.00	28031.00	35304.00	35236.00	38227.00	29157.00	33383.00	32098.00	28777.00	28443.00	34123.00	39902.00	41668.00	37142.00	33614.00	27513.00	27386.00	26103.00	27323.00
C25 H38 N18 O10	28411.00	27840.00	17259.00	17329.00	28256.00	26512.00	14764.00	14528.00	29763.00	27683.00	15293.00	15548.00	19332.00	16649.00	19213.00	19139.00	21297.00	21302.00	12259.00	13592.00	15616.00	17635.00	12961.00	13068.00
C9 H16 N2	58727.00	64201.00	36707.00	74948.00	70044.00	48885.00	46245.00	59231.00	52109.00	52974.00	38281.00	41878.00	53509.00	46657.00	32707.00	28525.00	47136.00	51726.00	43304.00	44820.00	29273.00	41873.00	35218.00	53597.00
C13 H36 N11 O4 S	51025.00	48049.00	54770.00	50966.00	50255.00	50908.00	50161.00	58064.00	52757.00	51025.00	50874.00	51630.00	56026.00	58079.00	43602.00	56081.00	49451.00	52983.00	56484.00	47128.00	53933.00	45674.00	44713.00	55435.00
C25 H47 N5 O9	53958.00	48621.00	41026.00	50775.00	49893.00	47693.00	51332.00	51616.00	50511.00	45319.00	49159.00	49541.00	47058.00	48483.00	48913.00	55436.00	50228.00	46028.00	48411.00	43497.00	46072.00	49119.00	47776.00	52560.00
C8 H4 O11 S Esi+0.8659998	168096.00	168430.00	170273.00	168683.00	179849.00	184545.00	172440.00	173015.00	29539.00	27631.00	185902.00	177744.00	178591.00	161226.00	146034.00	154707.00	165917.00	160814.00	172235.00	167661.00	163954.00	163759.00	132889.00	131131.00
C49 H89 N5 O6 S	34391.00	28326.00	31553.00	29952.00	26382.00	22658.00	25147.00	36984.00	31401.00	39219.00	26520.00	21903.00	32598.00	55349.00	28089.00	27409.00	45024.00	46146.00	30882.00	30511.00	30306.00	23143.00	39264.00	27047.00
C20 H34 N7 Esi+11.828002 :1	224228.00	211942.00	164548.00	164316.00	203931.00	203978.00	148244.00	133852.00	199658.00	155317.00	156450.00	150337.00	180147.00	167692.00	175375.00	174464.00	173812.00	185564.00	168113.00	162615.00	193292.00	183610.00	253730.00	271716.00
N-docosahexaenoyl glutamine	12448.00	12208.00	16584.00	14449.00	15718.00	12370.00	15064.00	12978.00	14234.00	14184.00	39351.00	37984.00	14198.00	12898.00	14135.00	11588.00	12612.00	14258.00	14455.00	10806.00	12266.00	11925.00	11873.00	10850.00
Lys Met Lys Esi+6.0500016	22735.00	22351.00	18836.00	19018.00	21723.00	20571.00	20920.00	19172.00	20696.00	20929.00	22802.00	21935.00	21030.00	22912.00	25474.00	24059.00	22676.00	22384.00	19618.00	22742.00	18668.00	17342.00	21099.00	21725.00
Cys Glu	50779.00	55936.00	35712.00	35444.00	50391.00	51705.00	26660.00	26713.00	1.00	1.00	33952.00	34537.00	39712.00	40534.00	29320.00	28665.00	40825.00	39964.00	34562.00	32485.00	38367.00	36836.00	22808.00	20590.00
Methiothepin Esi+10.390001	106366.00	97538.00	100267.00	93153.00	102036.00	92864.00	95209.00	97822.00	97040.00	97675.00	96932.00	96110.00	108484.00	89894.00	102880.00	89015.00	96424.00	95497.00	95590.00	97237.00	93665.00	89739.00	99584.00	96468.00
Isonicotineamide Esi+1.057	34322.00	38471.00	1.00	1.00	44888.00	27380.00	1.00	1.00	1.00	1.00	45437.00	39730.00	1.00	1.00	18621.00	1.00	23051.00	27152.00	49457.00	53333.00	1.00	1.00	1.00	1.00
N-acetyl-2-carboxy Benzenesulfonamide	24769.00	24758.00	11599.00	6900.00	40487.00	38531.00	42610.00	38936.00	1.00	6358.00	37700.00	32941.00	29133.00	28810.00	7505.00	1.00	13058.00	10361.00	38969.00	39629.00	9784.00	9519.00	16203.00	16982.00
C35 H29 N7 O3 S	52752.00	44900.00	44689.00	44210.00	43823.00	40936.00	46138.00	39154.00	40538.00	42968.00	47270.00	42987.00	44375.00	39708.00	44218.00	45632.00	43992.00	44885.00	45922.00	42608.00	43871.00	44944.00	45690.00	41938.00
C17 H27 N8 O2	1.00	1.00	1.00	1.00	34262.00	14374.00	37887.00	22020.00	32725.00	13606.00	19589.00	1.00	23504.00	19621.00	32077.00	30807.00	11391.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
Octhilinone	39179.00	37838.00	33649.00	33738.00	36252.00	36521.00	37277.00	37394.00	45862.00	44892.00	37976.00	37557.00	32628.00	34110.00	31319.00	35615.00	32133.00	32504.00	33759.00	29364.00	31870.00	29253.00	36089.00	36350.00
Fampridine	33487.00	32250.00	17067.00	17997.00	17719.00	21336.00	10844.00	11784.00	1.00	1.00	10854.00	1.00	13328.00	17005.00	47440.00	49194.00	37748.00	36972.00	48491.00	48001.00	21753.00	22650.00	22401.00	24193.00
Ceceline	46120.00	47155.00	27042.00	20158.00	17542.00	16947.00	24832.00	20949.00	1.00	1.00	15969.00	15784.00	14145.00	13820.00	15682.00	15359.00	1.00	1.00	26838.00	26200.00	22192.00	21548.00	22420.00	19923.00
C19 H41 N O2	36859.00	40159.00	47311.00	46113.00	49700.00	48396.00	43752.00	40928.00	50929.00	58816.00	33676.00	30773.00	38945.00	40742.00	38580.00	39805.00	46855.00	49990.00	35465.00	35325.00	52554.00	52541.00	46932.00	50500.00
3-Butylidene-7-hydroxyphthalide	64275.00	55736.00	38891.00	40867.00	39426.00	52184.00	49663.00	57053.00	49523.00	44459.00	53931.00	48766.00	42204.00	41828.00	43597.00	43772.00	49232.00	37724.00	46831.00	49576.00	51059.00	47615.00	52317.00	43956.00
C6 H8 N2 O2 Esi+1.0860003	39878.00	32489.00	25172.00	30509.00	36865.00	47942.00	40968.00	37055.00	19207.00	20009.00	58673.00	56276.00	45873.00	51072.00	56068.00	56842.00	58802.00	58437.00	40210.00	42950.00	37778.00	37278.00	36988.00	35835.00
Karanjachromene	19767.00	22848.00	11251.00	7816.00	25468.00	28272.00	36913.00	35264.00	1.00	1.00	21042.00	20648.00	17269.00	17254.00	1.00	1.00	15921.00	12700.00	42106.00	44271.00	20163.00	20458.00	35555.00	34594.00
C13 Cl2 O S3	39154.00	37739.00	7203.00	12198.00	31614.00	27000.00	32801.00	32697.00	16637.00	14268.00	24777.00	25730.00	25948.00	22005.00	1.00	1.00	8820.00	9001.00	31411.00	33634.00	12690.00	11794.00	25561.00	27554.00
9-hydroxy-16-oxo-hexadecanoic acid	29965.00	37903.00	16646.00	25851.00	25175.00	24905.00	24917.00	27720.00	21672.00	25781.00	23502.00	28755.00	19570.00	20810.00	26445.00	20710.00	25529.00	19882.00	17809.00	21174.00	30187.00	24180.00	29418.00	14223.00
C10 H3 Cl O5 S3	206025.00	212598.00	163019.00	173040.00	191571.00	212124.00	193596.00	198354.00	49263.00	45098.00	199256.00	191561.00	194385.00	202774.00	140962.00	156855.00	154812.00	165235.00	200154.00	213045.00	169462.00	165996.00	161364.00	167574.00
C7 H6 N2 O4 S	84737.00	109922.00	18423.00	18055.00	83603.00	85250.00	96465.00	89151.00	1.00	1.00	86644.00	54744.00	76191.00	95791.00	14968.00	13739.00	18585.00	15402.00	91977.00	87416.00	17799.00	35171.00	51954.00	44992.00
C39 H65 N28 O	42963.00	37415.00	39290.00	40738.00	43123.00	35253.00	41281.00	41725.00	1.00	1.00	44866.00	41348.00	40134.00	41321.00	36269.00	38329.00	30797.00	36676.00	41376.00	42343.00	37361.00	41686.00	32230.00	29363.00
C21 H33 N12 O	32169.00	30582.00	32243.00	28515.00	30028.00	28405.00	30224.00	26888.00	31666.00	29204.00	30736.00	34142.00	28913.00	26879.00	29414.00	28514.00	32829.00	32011.00	25742.00	29099.00	31370.00	31354.00	26423.00	28584.00
Crassin Acetate	40830.00	39682.00	49045.00	42909.00	40405.00	41113.00	36259.00	40095.00	40730.00	43248.00	42230.00	42996.00	43464.00	42223.00	34551.00	41717.00	43275.00	41975.00	45415.00	36022.00	39835.00	32463.00	37143.00	37766.00
C50 H57 S	35334.00	33814.00	35917.00	31970.00	32918.00	31118.00	30236.00	32096.00	28486.00	29960.00	36398.00	32976.00	30887.00	33015.00	41631.00	37616.00	33021.00	31131.00	34123.00	29913.00	34329.00	32859.00	31827.00	31834.00
C33 H73 N12 O13 S	41969.00	37916.00	44491.00	39968.00	39899.00	42777.00	43250.00	42199.00	1.00	1.00	38685.00	40904.00	39758.00	39727.00	42794.00	40990.00	43166.00	43026.00	36941.00	36830.00	42123.00	38589.00	26836.00	27599.00
C12 N2 S2	38997.00	40635.00	35073.00	31777.00	40122.00	47622.00	39240.00	39814.00	1.00	1.00	42658.00	40856.00	46230.00	43804.00	34817.00	35762.00	32045.00	29650.00	44071.00	40774.00	37051.00	43056.00	28880.00	30913.00
C9 H18 N2 O2	58540.00	49859.00	71575.00	50842.00	58518.00	68664.00	46969.00	41825.00	36280.00	42407.00	79346.00	75842.00	59978.00	52975.00	48422.00	53076.00	53407.00	35701.00	42705.00	56167.00	52741.00	54918.00	54779.00	37922.00
C29 H61 N11 O4	42185.00	35862.00	47068.00	50765.00	19495.00	35684.00	72382.00	39250.00	57657.00	61229.00	36041.00	44677.00	41450.00	39066.00	61134.00	56295.00	51691.00	42500.00	52730.00	27865.00	28332.00	44055.00	45133.00	32552.00
C28 H61 N27 O3	39979.00	39533.00	37694.00	38038.00	36683.00	38998.00	37809.00	42605.00	1.00	1.00	37528.00	34394.00	38157.00	38626.00	38064.00	38706.00	38669.00	38740.00	31483.00	39236.00	36365.00	36086.00	25323.00	27274.00
C22 H47 N4 O2 Esi+12.966002	17161.00	20106.00	23527.00	23526.00	26083.00	21834.00	26069.00	26275.00	21453.00	22838.00	22737.00	20783.00	22315.00	19873.00	28075.00	21507.00	32671.00	21585.00	17386.00	20275.00	25293.00	18637.00	40288.00	34177.00
C20 H8 N7 O5	44209.00	37948.00	48828.00	40997.00	46059.00	39665.00	46091.00	40864.00	46356.00	38703.00	40635.00	38193.00	45350.00	38452.00	45494.00	35967.00	45565.00	38491.00	39093.00	37747.00	43750.00	36770.00	49739.00	35814.00
C35 H75 N17 O5	54019.00	55012.00	54503.00	50545.00	65034.00	55692.00	57038.00	47565.00	1.00	1.00	51708.00	56271.00	50557.00	57143.00	53715.00	46608.00	51644.00	54552.00	50062.00	57447.00	49741.00	54457.00	41788.00	42689.00
L-Serine O-sulfate	18780.00	21238.00	13473.00	15224.00	22924.00	18979.00	17804.00	15749.00	13467.00	15234.00	15853.00	16407.00	16714.00	14808.00	48533.00	45628.00	18421.00	16036.00	25083.00	28274.00	13961.00	17744.00	17410.00	16572.00
Isomatrine	37307.00	33547.00	34623.00	39495.00	32422.00	37507.00	36688.00	43336.00	34194.00	28433.00	36530.00	35330.00	40037.00	34544.00	37496.00	41308.00	34293.00	37731.00	33188.00	31940.00	35343.00	34830.00	27259.00	26209.00
C38 H83 N17 O3 S	37915.00	35501.00	35889.00	36438.00	36187.00	38141.00	37678.00	39194.00	1.00	1.00	37251.00	36089.00	36920.00	36654.00	31015.00	33201.00	31006.00	34727.00	36842.00	36314.00	33887.00	35369.00	28574.00	28327.00
C20 H49 N7 O3	47440.00	55569.00	74539.00	76343.00	43650.00	50753.00	20547.00	45209.00	48782.00	47784.00	45940.00	51734.00	70063.00	53504.00	49251.00	65494.00	49898.00	85742.00	47910.00	57282.00	47503.00	96176.00	32966.00	47625.00
C3 H5 O2 S	41265.00	41815.00	26841.00	28458.00	48516.00	50580.00	47648.00	46362.00	20013.00	20213.00	39551.00	44736.00	37954.00	41479.00	18253.00	16664.00	26383.00	22763.00	51500.00	49679.00	27707.00	19855.00	29307.00	28667.00
Cys Arg Tyr	23413.00	24341.00	29690.00	24025.00	46904.00	49707.00	27158.00	23857.00	21281.00	19924.00	23712.00	22383.00	19834.00	18395.00	22605.00	22733.00	21139.00	23467.00	22708.00	22725.00	25552.00	21857.00	19816.00	19104.00
2H-Indol-2-one, 1,3-dihydro-7-hydroxy-4-[2-(propylamino)ethyl]- glucuronide	42421.00	39765.00	39512.00	41729.00	46419.00	45096.00	27982.00	41675.00	39189.00	57269.00	35956.00	39959.00	38411.00	38729.00	38331.00	37621.00	38824.00	41246.00	31525.00	34398.00	39684.00	33391.00	28923.00	33908.00
C15 H21 N5 O2	37739.00	19609.00	47620.00	39664.00	20614.00	20622.00	28528.00	40170.00	16497.00	17705.00	19376.00	14788.00	24630.00	17937.00	15220.00	26168.00	32232.00	20875.00	15681.00	14698.00	30059.00	36768.00	34262.00	32417.00
5-Hydroxy-7-methoxy-4'-prenyloxyflavanone Esi+0.95199984	53192.00	42348.00	76141.00	77874.00	60812.00	61868.00	65669.00	63986.00	1.00	1.00	1.00	174166.00	50860.00	49256.00	198088.00	203698.00	115663.00	117735.00	39543.00	42432.00	128246.00	135056.00	25263.00	24034.00
C34 H75 N13 O12 S	40912.00	39470.00	42552.00	43058.00	42486.00	38984.00	45554.00	42924.00	1.00	1.00	41297.00	40056.00	38582.00	44163.00	40150.00	44758.00	39329.00	43952.00	40478.00	38729.00	43194.00	40355.00	29781.00	30347.00
C21 H3 Cl2 N O4 S2	23458.00	20442.00	12498.00	11202.00	30117.00	30170.00	34271.00	35279.00	25415.00	26669.00	35556.00	35214.00	41690.00	43205.00	12514.00	10057.00	17034.00	19607.00	58661.00	59398.00	25185.00	23714.00	42543.00	43320.00
C27 H57 N11 O	21068.00	26870.00	26761.00	32815.00	21728.00	23035.00	22845.00	28853.00	21705.00	25070.00	24508.00	21738.00	19334.00	20718.00	18664.00	18107.00	24064.00	20917.00	24900.00	25067.00	28480.00	22731.00	20234.00	23997.00
C18 N O13 S2 Esi+0.8439999	91721.00	94815.00	90636.00	92031.00	97893.00	92465.00	91675.00	91344.00	11206.00	13216.00	94136.00	90129.00	90820.00	88490.00	85563.00	82562.00	87500.00	84163.00	95048.00	91080.00	84826.00	86694.00	71507.00	74172.00
C31 H59 N15	41724.00	106876.00	106924.00	81143.00	85736.00	99236.00	106165.00	98585.00	37875.00	85638.00	123015.00	83133.00	43398.00	31532.00	89508.00	102197.00	25317.00	33272.00	100011.00	96035.00	95635.00	104052.00	71582.00	31662.00
HPF	44828.00	46081.00	52669.00	47284.00	49671.00	45109.00	44552.00	40501.00	41395.00	41641.00	55346.00	40973.00	45929.00	45101.00	47592.00	40887.00	41199.00	40725.00	40672.00	42228.00	46060.00	43523.00	59124.00	37894.00
C50 H29 N O2	47377.00	45468.00	44199.00	47350.00	47574.00	49295.00	47617.00	43165.00	45750.00	47355.00	41192.00	42198.00	44777.00	44829.00	44159.00	45234.00	44338.00	43386.00	43639.00	44717.00	48715.00	43524.00	40911.00	47125.00
C21 Cl2 N2 O19 S3	45193.00	44151.00	38326.00	43122.00	43447.00	45677.00	37785.00	40770.00	1.00	1.00	49072.00	42833.00	45991.00	40291.00	37839.00	41402.00	39764.00	40741.00	43690.00	42752.00	39548.00	42297.00	31817.00	33723.00
C35 H67 N20 O6	33688.00	37325.00	39811.00	42352.00	46710.00	42888.00	37001.00	38624.00	1.00	1.00	35816.00	38721.00	36017.00	38188.00	40412.00	38634.00	40985.00	36489.00	35816.00	34980.00	41056.00	38527.00	26930.00	25463.00
C17 H38 N3 O3	338326.00	364358.00	130662.00	82740.00	156431.00	136275.00	316080.00	210307.00	121360.00	86301.00	209802.00	81458.00	154486.00	147322.00	132195.00	356020.00	110904.00	85527.00	170939.00	182966.00	274084.00	94724.00	220423.00	146916.00
C12 H23 N O3	15976.00	21492.00	24260.00	20241.00	27050.00	26395.00	23513.00	29018.00	22341.00	17191.00	22652.00	26566.00	13180.00	12004.00	17751.00	17790.00	18040.00	14167.00	27164.00	20879.00	17808.00	18536.00	16398.00	19903.00
C45 H89 N15 O S2	35068.00	29517.00	24928.00	27467.00	23030.00	26333.00	31866.00	29320.00	31630.00	32548.00	24761.00	20363.00	29414.00	25464.00	27156.00	27360.00	38992.00	46285.00	29681.00	32743.00	22410.00	22827.00	28272.00	22445.00
C14 H30 O3 Esi+11.713999	122137.00	110797.00	125671.00	105842.00	113696.00	96804.00	86385.00	91180.00	102086.00	92389.00	113773.00	117027.00	90305.00	85890.00	93421.00	96684.00	113041.00	109232.00	85071.00	93591.00	105353.00	94156.00	91145.00	89204.00
Sarpagine Esi+1.212	44741.00	46315.00	18953.00	24270.00	32955.00	30068.00	32834.00	31071.00	10418.00	10639.00	38956.00	41120.00	36579.00	35115.00	21487.00	19161.00	19790.00	19171.00	10348.00	9566.00	1.00	1.00	7943.00	8897.00
C30 H57 N15 O Esi+12.389005	139526.00	123315.00	96157.00	88164.00	155746.00	149247.00	79783.00	72995.00	155344.00	164173.00	89189.00	108012.00	105567.00	103455.00	101638.00	98453.00	135220.00	148657.00	73284.00	79343.00	119713.00	106271.00	96538.00	85515.00
C9 H6 N4 O8 S	41204.00	47406.00	37070.00	33727.00	37108.00	42835.00	37865.00	35629.00	1.00	1.00	36027.00	34015.00	39267.00	35388.00	36329.00	34649.00	33763.00	34599.00	32752.00	33359.00	37416.00	33528.00	20597.00	21263.00
C13 H5 Cl N3 O12 S4	47870.00	44975.00	43997.00	42750.00	47590.00	45120.00	46048.00	45254.00	6451.00	1.00	47369.00	44982.00	40103.00	42786.00	38619.00	39675.00	40329.00	37128.00	42272.00	46524.00	46469.00	43247.00	36310.00	39589.00
C17 H3 N2 O21	51964.00	48464.00	45772.00	45088.00	47510.00	43979.00	51184.00	48251.00	44469.00	45009.00	45044.00	40782.00	42279.00	38874.00	44717.00	53722.00	48453.00	44928.00	40778.00	48092.00	43213.00	49605.00	43713.00	47797.00
N?,N?,N?-Trimethyllysine Esi+0.8619997	800796.00	835433.00	223608.00	218361.00	221331.00	216399.00	157097.00	169621.00	1988203.00	1992275.00	191551.00	177394.00	223667.00	222275.00	197670.00	207662.00	214326.00	202147.00	182990.00	186106.00	201168.00	197891.00	166221.00	164961.00
C13 H4 N2 O12 S2 Esi+0.83699995	85823.00	86303.00	78120.00	84096.00	88021.00	89978.00	84345.00	90936.00	20306.00	19301.00	83908.00	87686.00	86256.00	85229.00	76563.00	79358.00	82676.00	79224.00	82242.00	86732.00	81675.00	81358.00	72502.00	76952.00
Anthraquinone	11299.00	8110.00	8872.00	11302.00	8629.00	8949.00	28698.00	29374.00	10108.00	13740.00	8015.00	1.00	13256.00	9839.00	40462.00	39612.00	1.00	1.00	1.00	1.00	1.00	1.00	9343.00	1.00
C10 O S	52608.00	56040.00	33347.00	26549.00	50458.00	48341.00	57359.00	58786.00	18553.00	18667.00	51089.00	47708.00	44863.00	52585.00	38693.00	33727.00	28281.00	26226.00	66784.00	64453.00	27532.00	21505.00	38695.00	39958.00
C49 H83 N12 O S3	36782.00	40812.00	33631.00	36667.00	43567.00	40819.00	44812.00	38091.00	1.00	1.00	40504.00	37139.00	37919.00	37702.00	34186.00	27445.00	32529.00	34677.00	38211.00	34861.00	37968.00	36098.00	30395.00	29040.00
Troglitazone quinone	38278.00	37524.00	33488.00	29456.00	29911.00	30952.00	22499.00	21708.00	1.00	8472.00	21669.00	23508.00	22134.00	23421.00	19944.00	22259.00	29697.00	32574.00	23452.00	29680.00	24379.00	22412.00	21745.00	17181.00
C27 H28 N18 O7	36317.00	35363.00	12265.00	12594.00	30327.00	28890.00	14301.00	12316.00	48124.00	45032.00	11544.00	9333.00	18187.00	18231.00	12403.00	11149.00	25456.00	23114.00	10075.00	11042.00	14844.00	13467.00	20591.00	20189.00
C52 H66 N10 O6	51619.00	48614.00	46402.00	46490.00	44115.00	42082.00	47050.00	51197.00	53209.00	47778.00	45392.00	52324.00	42039.00	42510.00	45798.00	42889.00	43075.00	50923.00	50538.00	45735.00	54362.00	45908.00	50586.00	42993.00
C27 H19 N O21 S	39387.00	39400.00	47749.00	38526.00	33930.00	42752.00	36647.00	35794.00	40716.00	38269.00	39249.00	47494.00	42671.00	44210.00	33460.00	33783.00	44731.00	41125.00	48875.00	37330.00	37487.00	40284.00	45803.00	42719.00
C40 H86 N6 O2	38245.00	40564.00	27000.00	33454.00	35760.00	32127.00	39537.00	37113.00	1.00	1.00	29704.00	39069.00	35613.00	35610.00	30011.00	37268.00	30520.00	29679.00	37961.00	40737.00	33076.00	37354.00	26730.00	32078.00
C8 H2 N3 O7	48913.00	49174.00	42243.00	39617.00	44611.00	42956.00	43132.00	48737.00	40655.00	42249.00	44902.00	41724.00	38752.00	40171.00	49504.00	51043.00	40724.00	42540.00	43180.00	48070.00	41873.00	37644.00	40503.00	40915.00
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid Esi+12.605998	39068.00	32602.00	25125.00	32688.00	30848.00	25774.00	23611.00	28444.00	23786.00	25424.00	24991.00	25589.00	23907.00	41303.00	23736.00	24936.00	26778.00	31857.00	32541.00	25702.00	28037.00	24697.00	25146.00	27625.00
Hexazinone	9138.00	10535.00	15537.00	1.00	27684.00	32452.00	11534.00	12048.00	16642.00	15604.00	38159.00	38322.00	7654.00	8168.00	1.00	11484.00	16676.00	17305.00	26031.00	30363.00	10557.00	10607.00	9981.00	13260.00
C11 H8 N4 O12	36839.00	34293.00	18191.00	19266.00	31731.00	29414.00	15912.00	17655.00	1.00	1.00	20045.00	19407.00	28748.00	29492.00	37719.00	42245.00	28383.00	27685.00	22910.00	26723.00	22899.00	26796.00	12188.00	14552.00
Dehydroamlodipine	40989.00	35727.00	40090.00	39994.00	39747.00	42699.00	41666.00	42654.00	40360.00	55022.00	37814.00	42620.00	44039.00	39878.00	41025.00	39620.00	56935.00	39077.00	39850.00	41690.00	48752.00	38532.00	40248.00	21361.00
decanamide Esi+9.438998	38353.00	36017.00	26763.00	24989.00	20136.00	28330.00	29844.00	33135.00	38300.00	38758.00	39843.00	38148.00	25187.00	22004.00	26609.00	28109.00	25790.00	21566.00	19225.00	27040.00	30640.00	30891.00	32997.00	29731.00
C24 H Cl3 N2 O9 S2	44023.00	46372.00	47780.00	46163.00	45092.00	47631.00	48151.00	48150.00	1.00	1.00	47485.00	46299.00	50329.00	46179.00	38609.00	42546.00	38368.00	40419.00	47008.00	50820.00	46942.00	48035.00	35829.00	37523.00
C39 H85 Cl2 N7 O10 S2	34985.00	37130.00	38158.00	40305.00	38590.00	41303.00	38020.00	39493.00	1.00	1.00	39614.00	38819.00	34496.00	38948.00	34503.00	35609.00	35126.00	37023.00	34654.00	35212.00	38473.00	40393.00	28041.00	27082.00
C22 H47 N11	27561.00	25802.00	16580.00	57885.00	25555.00	31402.00	42416.00	37571.00	59162.00	47458.00	29245.00	1.00	1.00	28636.00	21967.00	63634.00	38972.00	29413.00	14786.00	40889.00	31485.00	42748.00	34474.00	29142.00
C18 H2 O18 S2	58237.00	58612.00	54592.00	51888.00	54859.00	55646.00	56744.00	55472.00	8695.00	7207.00	56012.00	56016.00	51938.00	52927.00	43861.00	49005.00	48188.00	48338.00	53788.00	55040.00	52796.00	53885.00	44059.00	45153.00
C46 H95 N5 O5 S2	45896.00	39019.00	36448.00	42202.00	43300.00	44621.00	43941.00	43816.00	1.00	1.00	43582.00	45702.00	40007.00	40642.00	41739.00	41514.00	37519.00	36816.00	43511.00	41273.00	39875.00	43308.00	32135.00	31402.00
C17 H37 N O3	31844.00	33651.00	24426.00	22683.00	27720.00	32031.00	24118.00	23783.00	46064.00	41369.00	29610.00	31382.00	44589.00	42645.00	28991.00	30118.00	19811.00	20256.00	11852.00	11891.00	19251.00	15981.00	15171.00	17734.00
C28 H53 N3 O2	55117.00	57805.00	43981.00	49006.00	46999.00	56398.00	57003.00	49033.00	53981.00	62283.00	54109.00	49157.00	48524.00	54142.00	42402.00	47946.00	51714.00	47503.00	46786.00	44332.00	39187.00	46557.00	52931.00	46719.00
C30 H67 N22 O14	39715.00	39666.00	39520.00	39486.00	37919.00	36006.00	42056.00	38565.00	1.00	1.00	35116.00	31026.00	38439.00	36903.00	31638.00	36586.00	38695.00	37272.00	30104.00	38960.00	33846.00	36141.00	25644.00	26046.00
C9 H10 N O8	85030.00	80849.00	118217.00	131746.00	61619.00	57421.00	92148.00	84816.00	1.00	1.00	100489.00	91199.00	80051.00	34142.00	194587.00	42832.00	45408.00	188249.00	89695.00	92882.00	211488.00	70334.00	103271.00	33391.00
1,4-Dioxane Esi+3.1190007	38144.00	122020.00	90869.00	28496.00	140647.00	38809.00	25434.00	27061.00	92453.00	29783.00	94806.00	101684.00	80654.00	88400.00	71040.00	78852.00	28553.00	103413.00	35480.00	41198.00	22885.00	21012.00	70950.00	93522.00
2-(3'-Methylthio)propylmalic acid Esi+11.881001	33654.00	32603.00	39777.00	32796.00	36962.00	33889.00	33173.00	30097.00	39769.00	34068.00	36242.00	36353.00	36702.00	29620.00	38893.00	28824.00	32270.00	29123.00	33432.00	26054.00	36765.00	28046.00	36649.00	24530.00
C34 H59 N5 S Esi+12.907003	48999.00	66336.00	74236.00	144006.00	22243.00	238041.00	160739.00	162952.00	43291.00	42291.00	73821.00	109388.00	12998.00	232912.00	15388.00	47529.00	53225.00	60739.00	13231.00	45494.00	20463.00	180296.00	118701.00	46454.00
Lupanyl Acid	58802.00	63833.00	55529.00	52196.00	43409.00	55908.00	41905.00	52784.00	50073.00	48336.00	55776.00	48508.00	49193.00	49257.00	49883.00	46318.00	50538.00	52586.00	44829.00	50315.00	44104.00	47938.00	40547.00	49037.00
C31 H67 N18 O4	35684.00	34778.00	38474.00	39937.00	41417.00	39283.00	36493.00	36347.00	1.00	1.00	37428.00	35755.00	36133.00	37194.00	37807.00	38021.00	37568.00	34972.00	36447.00	32836.00	37431.00	37256.00	26626.00	24257.00
C9 H Cl3 N O4 S4	43017.00	35630.00	35315.00	32779.00	34225.00	25049.00	29051.00	30381.00	7469.00	7286.00	19894.00	31344.00	29155.00	23165.00	28134.00	31936.00	30230.00	32111.00	31347.00	31421.00	22528.00	28611.00	22792.00	20507.00
C34 H65 N O11	19776.00	19196.00	17161.00	19797.00	27971.00	24496.00	14194.00	17904.00	19861.00	20162.00	25475.00	20309.00	18363.00	11726.00	31131.00	30525.00	15692.00	14660.00	30886.00	43092.00	18213.00	20096.00	17708.00	19001.00
24-Nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-pentol Esi+11.615998	32607.00	30595.00	36169.00	20798.00	28354.00	27706.00	23696.00	1.00	25248.00	27212.00	41011.00	17977.00	28137.00	19158.00	17601.00	12937.00	32286.00	23472.00	26634.00	17066.00	29507.00	27397.00	42856.00	41395.00
C27 H55 N8 O4 Esi+12.428	121551.00	123678.00	71320.00	91149.00	120735.00	123941.00	82351.00	43193.00	144732.00	157366.00	85742.00	85098.00	102165.00	81585.00	102283.00	108062.00	129697.00	124825.00	86314.00	96256.00	91010.00	90023.00	85356.00	93978.00
C21 H46 N O11	40997.00	37286.00	34639.00	33974.00	38406.00	33313.00	37242.00	32176.00	37397.00	34222.00	37476.00	33527.00	36917.00	33703.00	40725.00	41523.00	35543.00	36713.00	37973.00	36261.00	31490.00	35823.00	32832.00	34650.00
C4 H7 Cl O S2	37267.00	37478.00	40100.00	42500.00	39157.00	40663.00	38041.00	33930.00	1.00	1.00	35674.00	31059.00	37376.00	34566.00	39539.00	43075.00	34566.00	29913.00	33587.00	31858.00	41662.00	35591.00	25053.00	27580.00
Phenylacetohydroxamic Acid	268228.00	247531.00	105952.00	109520.00	111078.00	103506.00	87029.00	89930.00	66599.00	68748.00	79413.00	72229.00	102998.00	103504.00	93244.00	88251.00	91427.00	93999.00	82803.00	94006.00	81391.00	79598.00	50662.00	63483.00
p-Hydroxyfelbamate Esi+1.0580002	41930.00	37952.00	30078.00	30982.00	37424.00	37529.00	26807.00	27618.00	9951.00	11368.00	33253.00	36504.00	34477.00	35766.00	38155.00	36965.00	34409.00	34380.00	30691.00	30399.00	31680.00	29667.00	15316.00	18996.00
C36 H78 Cl N5 O4	36416.00	28691.00	30518.00	37848.00	25645.00	32644.00	27617.00	32050.00	1.00	1.00	28134.00	29793.00	34154.00	36215.00	33430.00	28780.00	39103.00	37990.00	24373.00	30047.00	37354.00	26298.00	18626.00	19863.00
C22 H33 N9 O3	48207.00	46166.00	35348.00	38802.00	42521.00	46014.00	35747.00	40674.00	45705.00	36801.00	43410.00	38348.00	37328.00	41346.00	40170.00	36814.00	45850.00	41216.00	35816.00	37617.00	34332.00	40082.00	39416.00	37520.00
C12 H34 N15 O	54344.00	63584.00	43490.00	57460.00	77652.00	54798.00	61961.00	66031.00	74350.00	73861.00	51616.00	44345.00	58537.00	47026.00	35721.00	39599.00	51023.00	49638.00	38146.00	60200.00	67632.00	49521.00	25871.00	51611.00
C27 H32 N6 O2	59866.00	56070.00	40002.00	39546.00	59938.00	59654.00	1.00	40662.00	64730.00	70352.00	36427.00	34729.00	42549.00	42889.00	40886.00	42214.00	51008.00	51318.00	34058.00	35778.00	47947.00	48344.00	35169.00	36014.00
Thioridazine Esi+10.944	124826.00	143516.00	146525.00	141165.00	148348.00	157216.00	153070.00	142711.00	151750.00	151996.00	149432.00	149931.00	142987.00	139389.00	135296.00	131678.00	121093.00	142224.00	137567.00	137489.00	118380.00	135777.00	163589.00	145742.00
C7 H6	28182.00	28114.00	25082.00	22469.00	28992.00	22475.00	24685.00	24749.00	28410.00	24824.00	46556.00	45926.00	24423.00	23819.00	23228.00	16791.00	22342.00	22485.00	20988.00	22671.00	28093.00	18714.00	22161.00	18652.00
C24 H11 N6 O20	49466.00	49563.00	44741.00	53219.00	54058.00	40550.00	49858.00	52622.00	49102.00	41936.00	42010.00	42919.00	42203.00	42241.00	48950.00	38620.00	43078.00	44122.00	41341.00	48894.00	48317.00	44258.00	48210.00	43805.00
C27 H36 N3 O6	40904.00	43013.00	44164.00	46490.00	42341.00	36204.00	42093.00	35245.00	38605.00	46675.00	35987.00	41134.00	39983.00	39220.00	38062.00	41864.00	43934.00	36887.00	38303.00	37915.00	45500.00	41700.00	41180.00	37963.00
10-Lauroleic acid Esi+6.3519998	25347.00	24291.00	9633.00	8535.00	19265.00	16920.00	7953.00	9015.00	14295.00	28742.00	22325.00	15491.00	17145.00	16212.00	1.00	1.00	16197.00	14407.00	53898.00	48430.00	1.00	1.00	8366.00	8845.00
C45 H79 N2 O5 S	59394.00	67830.00	53112.00	44033.00	72720.00	65780.00	30581.00	47880.00	80310.00	85447.00	31473.00	20427.00	73707.00	47139.00	50753.00	46829.00	64077.00	68961.00	33285.00	23610.00	38387.00	53122.00	33513.00	56877.00
Zalcitabine Esi+1.1149999	35155.00	30243.00	42335.00	34595.00	37130.00	31424.00	23804.00	27858.00	1.00	1.00	16641.00	63929.00	33527.00	33161.00	34552.00	41742.00	35375.00	33587.00	28573.00	25185.00	23649.00	25573.00	21726.00	21079.00
C20 H13 N O	36650.00	38863.00	11558.00	11854.00	16659.00	14864.00	15082.00	9902.00	42502.00	41644.00	9103.00	10226.00	16203.00	16314.00	11229.00	12942.00	12694.00	13945.00	22107.00	20748.00	8037.00	8724.00	12990.00	16257.00
C18 H39 N11	39022.00	38146.00	34428.00	37624.00	34918.00	35272.00	38047.00	38675.00	36633.00	34427.00	40959.00	36806.00	20824.00	43867.00	30181.00	33217.00	40689.00	38648.00	34308.00	35246.00	41456.00	32946.00	34489.00	34105.00
C17 H41 N13 O7	46267.00	44506.00	40033.00	46822.00	40872.00	39404.00	40019.00	42133.00	41111.00	41384.00	43735.00	43281.00	41013.00	42853.00	43168.00	46700.00	49060.00	44406.00	46386.00	38361.00	41988.00	36304.00	41645.00	41509.00
9-tridecynoic acid	25900.00	24477.00	33394.00	32409.00	24961.00	29077.00	21184.00	35579.00	25048.00	26752.00	21855.00	32597.00	27920.00	25015.00	20729.00	21626.00	28440.00	19930.00	21436.00	29645.00	20725.00	32666.00	25453.00	23323.00
C10 H Cl3 N2 O4 S5	31543.00	33203.00	37461.00	33186.00	27549.00	27001.00	28444.00	27569.00	1.00	1.00	31828.00	21029.00	23527.00	27300.00	30881.00	30123.00	21917.00	27660.00	27506.00	26996.00	26976.00	31024.00	17619.00	21592.00
C50 H97 N3 O2 S3	36447.00	33486.00	35350.00	33302.00	32947.00	36395.00	36316.00	41268.00	1.00	1.00	34822.00	33438.00	34185.00	35807.00	28781.00	31098.00	31570.00	32611.00	29984.00	39438.00	29521.00	30432.00	27768.00	22805.00
Zygadenine	50587.00	40043.00	46233.00	51686.00	43973.00	63014.00	39700.00	58222.00	50397.00	42160.00	39511.00	45151.00	53467.00	45674.00	47079.00	44230.00	67118.00	45365.00	57303.00	51909.00	51383.00	50546.00	39454.00	45675.00
C16 H37 N11 O9	44440.00	47441.00	25364.00	24267.00	35346.00	36707.00	55519.00	52128.00	36686.00	36808.00	21509.00	23003.00	31355.00	26484.00	23491.00	26096.00	35730.00	35423.00	24496.00	22058.00	29570.00	29096.00	32244.00	33350.00
C9 H2 Cl2 O14 S	40741.00	41720.00	26588.00	28195.00	30874.00	32403.00	30316.00	23806.00	25900.00	24266.00	25776.00	27808.00	28381.00	27708.00	20903.00	19973.00	23099.00	23550.00	31823.00	28652.00	21492.00	22677.00	27728.00	26639.00
CAY10464	16637.00	16171.00	31664.00	26187.00	42434.00	46330.00	33570.00	34569.00	1.00	1.00	40451.00	32797.00	31262.00	33404.00	36931.00	34265.00	37054.00	36629.00	32300.00	31953.00	31457.00	31580.00	16116.00	16417.00
C17 H35 N7	30751.00	27470.00	69928.00	56033.00	46271.00	25412.00	26935.00	36513.00	42756.00	39028.00	31955.00	37596.00	34586.00	50224.00	32220.00	32962.00	49914.00	37715.00	41542.00	28581.00	49792.00	30087.00	28811.00	30078.00
C15 H3 O20 S	34005.00	34879.00	32209.00	33453.00	28777.00	31191.00	36598.00	31994.00	31902.00	41446.00	31728.00	31282.00	26223.00	31884.00	35915.00	31211.00	45632.00	39700.00	31932.00	29745.00	32169.00	25668.00	28433.00	25910.00
2-methyl-undecanoic acid Esi+9.264003	104270.00	49917.00	130540.00	125102.00	96666.00	180739.00	56828.00	43942.00	66937.00	137369.00	43390.00	37572.00	75231.00	100854.00	123461.00	79701.00	82385.00	34706.00	122668.00	122452.00	119084.00	88155.00	128799.00	100442.00
Thymine	43816.00	38901.00	37319.00	35376.00	31899.00	31392.00	22961.00	21447.00	1.00	1.00	26482.00	25017.00	22500.00	26959.00	23777.00	22785.00	33384.00	30506.00	30411.00	26894.00	23204.00	24098.00	17180.00	15821.00
C35 H22 N15 O	25090.00	23208.00	31987.00	23611.00	34634.00	21669.00	25991.00	21726.00	24903.00	25100.00	37236.00	22525.00	24572.00	23297.00	30917.00	23054.00	24333.00	24418.00	22580.00	23980.00	26698.00	26564.00	46039.00	22794.00
C20 H4 Cl2 N O17 S3	39277.00	35547.00	34554.00	36679.00	42208.00	38188.00	38764.00	41292.00	1.00	1.00	38503.00	40011.00	38332.00	37466.00	31151.00	32487.00	31999.00	35725.00	39554.00	36545.00	38243.00	33776.00	32730.00	30564.00
C25 H51 N8 O Esi+13.976997	27411.00	27962.00	19725.00	27267.00	26989.00	38665.00	30667.00	31372.00	20482.00	33501.00	29611.00	20566.00	35423.00	31033.00	37263.00	28219.00	31228.00	31780.00	41329.00	34660.00	39684.00	31035.00	27161.00	12344.00
C47 H95 N4 S	30583.00	35465.00	30452.00	29601.00	36548.00	33484.00	36450.00	36557.00	1.00	1.00	34931.00	34961.00	34729.00	30163.00	24320.00	29935.00	27047.00	29643.00	40195.00	38000.00	30357.00	29175.00	29554.00	28378.00
C10 H12 N6 O	41769.00	47122.00	44434.00	35527.00	32572.00	36181.00	26872.00	23344.00	8397.00	10227.00	24232.00	21355.00	28912.00	22343.00	34669.00	31201.00	33205.00	31843.00	29419.00	35617.00	31965.00	31662.00	16795.00	17724.00
6-Dimethylaminopurine	41060.00	37511.00	30503.00	25208.00	38429.00	49649.00	33594.00	35157.00	20560.00	26591.00	30676.00	45930.00	23209.00	36103.00	52828.00	37594.00	54881.00	44096.00	29802.00	27724.00	20539.00	22602.00	22145.00	20090.00
C33 H47 N9 S	41657.00	38790.00	36023.00	39197.00	38441.00	36213.00	37116.00	36223.00	37296.00	37599.00	35966.00	35737.00	38879.00	34776.00	37000.00	38156.00	36280.00	35066.00	34634.00	35561.00	34182.00	35643.00	36353.00	34709.00
C25 H3 Cl3 N3 O9 S5	36832.00	36815.00	30557.00	36959.00	39305.00	36427.00	38468.00	36553.00	1.00	1.00	38810.00	36481.00	36215.00	37066.00	32688.00	30787.00	35693.00	31811.00	38542.00	35612.00	40453.00	34775.00	31927.00	26616.00
C30 H53 N21 O5	27482.00	31106.00	38459.00	34930.00	32481.00	32221.00	30251.00	27826.00	1.00	1.00	30153.00	29684.00	32580.00	32053.00	37185.00	36907.00	38133.00	29369.00	28916.00	24835.00	35261.00	32612.00	23206.00	20553.00
C22 H47 N O13	26127.00	29788.00	24604.00	25333.00	23719.00	27334.00	27023.00	25181.00	37160.00	36767.00	22306.00	25051.00	24814.00	24504.00	25752.00	29310.00	25478.00	24199.00	27432.00	29176.00	26346.00	22295.00	25854.00	25450.00
C40 H27 N9 O	46382.00	48925.00	48749.00	50472.00	49115.00	49416.00	42463.00	49187.00	50803.00	51211.00	45407.00	50968.00	44108.00	46737.00	44674.00	44046.00	46511.00	48024.00	44529.00	48098.00	43247.00	46082.00	43760.00	43720.00
C16 H4 N2	34823.00	32044.00	16548.00	15377.00	23831.00	21349.00	22359.00	23341.00	26804.00	29564.00	25436.00	21201.00	26860.00	30974.00	17162.00	16479.00	20292.00	21447.00	43251.00	42965.00	11794.00	11646.00	21324.00	20094.00
4-(2-hydroxypropoxy)-3,5-dimethyl-Phenol Esi+5.6230006	19127.00	17773.00	16972.00	19959.00	16159.00	18894.00	9974.00	10842.00	1.00	1.00	14733.00	18899.00	13661.00	6078.00	15091.00	16780.00	22884.00	24677.00	31757.00	31329.00	22031.00	21072.00	9923.00	10098.00
C13 H31 N4	21321.00	21400.00	25894.00	27917.00	39281.00	37662.00	29830.00	26884.00	27196.00	27249.00	27360.00	27157.00	27296.00	34532.00	35920.00	39607.00	40908.00	36923.00	24026.00	23085.00	31776.00	33829.00	35613.00	38206.00
C40 H77 Cl2 N2 O	39554.00	38024.00	44885.00	43284.00	40543.00	38942.00	40737.00	39973.00	1.00	1.00	40861.00	39515.00	38934.00	41833.00	42220.00	44762.00	43882.00	42059.00	36018.00	31214.00	41808.00	42351.00	27367.00	27198.00
C30 H67 N27 O4 S	41271.00	43311.00	42442.00	41570.00	46079.00	46508.00	42805.00	43135.00	1.00	1.00	45198.00	46896.00	39413.00	45408.00	41148.00	41373.00	40015.00	40938.00	43167.00	42498.00	41315.00	41935.00	33740.00	29737.00
N-Nitrososarcosine	39404.00	40916.00	32058.00	33393.00	26998.00	33567.00	35196.00	29867.00	7114.00	7197.00	23275.00	26565.00	27926.00	33324.00	30490.00	32568.00	28838.00	27623.00	26639.00	26180.00	24008.00	21105.00	16164.00	18611.00
Ser-Ser-OH	38583.00	36403.00	50200.00	29709.00	36367.00	38843.00	40579.00	33491.00	35547.00	30558.00	34105.00	38163.00	36148.00	29639.00	34077.00	30062.00	29149.00	31093.00	31813.00	29801.00	27779.00	28164.00	30600.00	36423.00
4-(2-hydroxypropoxy)-3,5-dimethyl-Phenol Esi+6.122001	17039.00	16277.00	11748.00	11793.00	13008.00	16016.00	1.00	1.00	1.00	1.00	23316.00	28143.00	19221.00	18317.00	16547.00	11741.00	28792.00	31815.00	33789.00	35971.00	10907.00	9538.00	1.00	1.00
C24 H35 N2 O4	14694.00	14254.00	13917.00	10183.00	17008.00	16088.00	18368.00	14075.00	14347.00	17906.00	35715.00	35654.00	14731.00	10777.00	14903.00	14674.00	14938.00	13703.00	14155.00	11365.00	15385.00	11698.00	14920.00	13369.00
Hoiamide A triacetate	36091.00	37182.00	30498.00	30800.00	38297.00	32410.00	33999.00	36899.00	1.00	1.00	32561.00	31588.00	36410.00	35264.00	32196.00	31411.00	34914.00	34183.00	28678.00	38188.00	32075.00	31083.00	23130.00	25710.00
C25 H53 N11 O2 Esi+13.101002	74127.00	60521.00	57282.00	42989.00	74131.00	60692.00	1.00	53735.00	77220.00	85236.00	1.00	48637.00	69229.00	43402.00	60323.00	57649.00	80890.00	70241.00	1.00	1.00	54137.00	53226.00	54082.00	17621.00
C38 H73 N15 O3	25139.00	26624.00	44737.00	27538.00	22634.00	20859.00	17916.00	41287.00	26903.00	25201.00	27998.00	22697.00	30657.00	20496.00	22395.00	34687.00	43326.00	34520.00	18692.00	38825.00	38016.00	17677.00	23954.00	29216.00
C10 H24 N9 O7	44636.00	46903.00	41657.00	39966.00	41513.00	44529.00	48718.00	48138.00	41439.00	41760.00	48590.00	42212.00	42490.00	35272.00	42922.00	41130.00	45024.00	37208.00	43201.00	30118.00	44381.00	39167.00	41214.00	44798.00
9,12-dioxo-dodecanoic acid Esi+8.820003	36108.00	49972.00	55121.00	62171.00	45879.00	54749.00	35602.00	34336.00	46504.00	55105.00	29508.00	56608.00	32705.00	38473.00	31666.00	38491.00	33990.00	30929.00	42185.00	20357.00	54386.00	21259.00	75808.00	61983.00
C34 H75 N11 O20	38710.00	36830.00	35028.00	34012.00	35083.00	38728.00	35736.00	35120.00	1.00	1.00	36100.00	38756.00	34238.00	37421.00	32342.00	34400.00	35620.00	35713.00	37378.00	32098.00	34099.00	34347.00	27385.00	23701.00
C26 H37 N2 O S	37259.00	35611.00	38828.00	37468.00	33353.00	39016.00	31583.00	34370.00	35998.00	33827.00	34555.00	39910.00	36114.00	30614.00	32401.00	34120.00	29901.00	33787.00	35010.00	33982.00	36131.00	32607.00	31421.00	34446.00
C19 H22 N6 O3	1.00	1.00	34768.00	36830.00	13425.00	14701.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	21675.00	23340.00	1.00	1.00	1.00	1.00	1.00	1.00
C17 H27 N5 Esi+8.119002	45447.00	46259.00	43359.00	43334.00	70137.00	51373.00	41561.00	41369.00	43103.00	46722.00	44764.00	35587.00	39284.00	37349.00	48664.00	47122.00	40706.00	39333.00	36082.00	40603.00	37295.00	40027.00	35254.00	38293.00
C52 H61 O S	34544.00	30051.00	26855.00	26802.00	28059.00	26357.00	28346.00	29991.00	27704.00	28310.00	26886.00	24191.00	25472.00	26918.00	38727.00	33690.00	29156.00	29103.00	26021.00	27662.00	26955.00	27960.00	30671.00	30296.00
C32 H71 N22 O5	33199.00	32127.00	33604.00	33504.00	32740.00	35461.00	34252.00	34727.00	1.00	1.00	35197.00	32983.00	36152.00	34186.00	31259.00	33544.00	33722.00	31833.00	36087.00	32527.00	34442.00	32979.00	23758.00	24163.00
C17 H36 O3 Esi+12.730998	1959623.00	570804.00	2548997.00	2466206.00	1296901.00	1268753.00	1196377.00	1223798.00	1708202.00	98694.00	161121.00	561249.00	319081.00	353419.00	1175272.00	1155328.00	2008962.00	1995144.00	274076.00	916735.00	2249871.00	807398.00	368419.00	369703.00
C47 H87 N8 O4 S	19953.00	21636.00	22645.00	18271.00	32025.00	24080.00	22265.00	21441.00	1.00	22570.00	17824.00	17989.00	18510.00	22950.00	25458.00	22018.00	21732.00	20017.00	26558.00	23488.00	19111.00	20997.00	20859.00	23042.00
C17 H43 N16 O7	46766.00	42842.00	38541.00	36704.00	38821.00	35794.00	35731.00	42518.00	41606.00	33540.00	39824.00	36424.00	38238.00	35493.00	42132.00	43264.00	40822.00	37345.00	39599.00	41464.00	37796.00	38023.00	38367.00	40870.00
2-oxo-docosanoic acid Esi+11.718998	30441.00	23042.00	8444.00	11562.00	32904.00	33664.00	30789.00	25912.00	18855.00	25959.00	20875.00	16393.00	27356.00	27309.00	9128.00	10678.00	13692.00	15003.00	53602.00	54847.00	1.00	1.00	9643.00	22762.00
C25 H11 N3 O21	34237.00	35523.00	28413.00	37651.00	33119.00	31270.00	29216.00	35732.00	35702.00	42034.00	29551.00	32314.00	30377.00	30949.00	38070.00	36468.00	44372.00	44049.00	34545.00	31136.00	30147.00	30925.00	27681.00	31109.00
C20 H35 N2	1.00	9295.00	9179.00	9299.00	14248.00	17863.00	1.00	1.00	35821.00	32233.00	27647.00	31346.00	8993.00	10818.00	1.00	1.00	10501.00	12036.00	10609.00	8186.00	1.00	1.00	1.00	1.00
Abscisic alcohol	31041.00	15920.00	12693.00	8954.00	18109.00	18524.00	12670.00	13369.00	1.00	1.00	12508.00	10171.00	22611.00	17662.00	39087.00	40297.00	25966.00	27093.00	31475.00	29980.00	29506.00	34165.00	14873.00	15817.00
C44 H93 N11 S	40149.00	42114.00	32862.00	37995.00	40380.00	40055.00	33938.00	41911.00	1.00	1.00	42211.00	40714.00	41017.00	39751.00	34155.00	36795.00	37895.00	28143.00	41166.00	39401.00	37088.00	34211.00	33366.00	27398.00
C46 H99 N4 O S	35934.00	40383.00	38613.00	36917.00	37134.00	35870.00	36601.00	38277.00	1.00	1.00	37105.00	36672.00	37425.00	37186.00	32331.00	31280.00	33821.00	34143.00	38934.00	35389.00	33906.00	36023.00	27726.00	28684.00
6-O-Methylguanine	37452.00	39811.00	30012.00	32640.00	30121.00	39426.00	33794.00	37482.00	1.00	1.00	26985.00	24553.00	31084.00	27626.00	41435.00	39948.00	34656.00	36014.00	34455.00	32713.00	34287.00	27152.00	27152.00	29553.00
C28 H41 N2 O	49033.00	72992.00	64467.00	38973.00	48481.00	58684.00	61260.00	58255.00	70661.00	33341.00	66178.00	63635.00	69936.00	65048.00	77063.00	51653.00	42863.00	73047.00	34505.00	32061.00	64661.00	55007.00	33540.00	30853.00
C37 H16 N3 O	24405.00	24979.00	28670.00	19963.00	31199.00	20048.00	20887.00	21138.00	22509.00	23060.00	29330.00	21334.00	21682.00	19889.00	25835.00	18932.00	20568.00	18589.00	18533.00	20548.00	24961.00	20417.00	44007.00	20089.00
p-Lactophenetide	37019.00	39044.00	24921.00	41440.00	21914.00	34655.00	39975.00	34506.00	38000.00	32230.00	40116.00	35686.00	28966.00	25489.00	32810.00	27610.00	27487.00	28973.00	32430.00	28866.00	1.00	1.00	23199.00	21226.00
C22 H51 N7 O3	37396.00	40149.00	40155.00	37266.00	42866.00	39447.00	34036.00	43468.00	32484.00	39102.00	35178.00	44654.00	34750.00	41080.00	29227.00	34443.00	43834.00	28557.00	49206.00	47237.00	31996.00	37289.00	36851.00	38335.00
C34 H75 N7 O11 S	46562.00	38973.00	53824.00	48343.00	48405.00	48163.00	47626.00	43353.00	47729.00	48628.00	36401.00	27619.00	41327.00	40829.00	39447.00	19465.00	60218.00	37260.00	50142.00	39302.00	40534.00	40718.00	43881.00	55174.00
C16 H18 N6 O S	38074.00	39052.00	38117.00	42143.00	44082.00	42226.00	41644.00	37535.00	39275.00	37890.00	35551.00	37603.00	42563.00	42744.00	40602.00	42549.00	35794.00	45191.00	35794.00	32010.00	38756.00	35785.00	38259.00	36095.00
C33 H55 N2 S Esi+12.445004	84867.00	88929.00	75977.00	52958.00	66060.00	103187.00	71132.00	72252.00	94292.00	98422.00	70676.00	47542.00	81223.00	78226.00	79408.00	71740.00	85660.00	81769.00	73728.00	74306.00	70941.00	83582.00	76901.00	58349.00
C9 H10 N O2	19561.00	18668.00	16197.00	16356.00	24694.00	32772.00	1.00	13137.00	42154.00	59470.00	17194.00	16290.00	30201.00	32154.00	15549.00	23731.00	40186.00	40634.00	19602.00	28760.00	34501.00	42395.00	29916.00	29286.00
alpha,4,2'-Trihydroxy-4-O-geranyldihydrochalcone Esi+12.832	28774.00	26834.00	20798.00	20518.00	23462.00	19204.00	13754.00	13074.00	28032.00	28739.00	10638.00	12386.00	14346.00	13762.00	11204.00	13212.00	21766.00	20465.00	10269.00	1.00	12264.00	12807.00	10634.00	8956.00
C26 H53 N26 O2 S	26129.00	25461.00	30473.00	34385.00	29599.00	29195.00	27276.00	27849.00	1.00	1.00	29477.00	27818.00	28660.00	30532.00	33306.00	30638.00	31622.00	32124.00	26086.00	25271.00	29034.00	31862.00	18982.00	18855.00
Chamuvaritin Esi+10.919002	107854.00	106251.00	1.00	1.00	92522.00	95597.00	1.00	1.00	110653.00	104268.00	51118.00	56306.00	62291.00	58737.00	57876.00	52942.00	1.00	1.00	1.00	43681.00	1.00	1.00	1.00	1.00
C33 H38 O6	84235.00	83906.00	57735.00	57562.00	82408.00	76870.00	35809.00	29575.00	92710.00	85657.00	40530.00	42092.00	44832.00	43273.00	29037.00	30127.00	58066.00	66613.00	40044.00	25729.00	45426.00	36015.00	29931.00	28678.00
C36 H73 N8 O8 Esi+12.713998	139085.00	130252.00	101038.00	84918.00	167845.00	171903.00	78188.00	76794.00	197029.00	185905.00	73658.00	83298.00	98054.00	95747.00	114209.00	113693.00	150447.00	153261.00	84300.00	71910.00	106496.00	105681.00	98752.00	81254.00
C22 H51 N4 O3	35343.00	38540.00	36118.00	54478.00	42870.00	41011.00	36600.00	33715.00	39293.00	38098.00	35294.00	36797.00	45910.00	43532.00	43569.00	33120.00	32345.00	29596.00	41179.00	38608.00	37402.00	39153.00	44172.00	38832.00
CAY10621	32622.00	27001.00	28153.00	20113.00	31833.00	25913.00	28371.00	26764.00	42152.00	33072.00	25176.00	26743.00	26504.00	29258.00	36788.00	25029.00	22066.00	33861.00	27253.00	29426.00	26122.00	26037.00	32321.00	30319.00
C29 H55 N15 Esi+12.779 :1	231518.00	241661.00	140124.00	140039.00	250560.00	247695.00	176342.00	113005.00	291329.00	243544.00	147039.00	111183.00	140654.00	164992.00	170270.00	185271.00	243689.00	254461.00	132815.00	111135.00	143983.00	179181.00	179489.00	107736.00
C27 H44 N5 O18	28874.00	28662.00	6744.00	8399.00	21492.00	21033.00	10280.00	8915.00	35783.00	40602.00	7037.00	8095.00	13796.00	12476.00	10306.00	7844.00	20107.00	19792.00	6391.00	5866.00	10148.00	9375.00	13948.00	13622.00
C35 H77 N22 O5 S	31278.00	33169.00	31670.00	32195.00	31721.00	33094.00	31040.00	31557.00	1.00	1.00	34288.00	31452.00	31588.00	29987.00	28042.00	30369.00	31336.00	29482.00	32490.00	34109.00	32170.00	31522.00	24250.00	27145.00
(-)-Hygroline	38996.00	34128.00	33972.00	27188.00	39274.00	39020.00	17912.00	20639.00	19076.00	17261.00	29365.00	23413.00	17625.00	16378.00	17019.00	17113.00	25546.00	27117.00	37631.00	34249.00	15346.00	13367.00	10193.00	11215.00
C37 H82 Cl N9 O6 S3	35357.00	35258.00	41897.00	36404.00	39150.00	40388.00	38724.00	34618.00	1.00	1.00	34575.00	39038.00	35985.00	36020.00	37403.00	35422.00	37147.00	38576.00	31770.00	33444.00	36255.00	38202.00	23261.00	24337.00
C19 H31 N5	19307.00	32107.00	22927.00	26147.00	24215.00	28623.00	23773.00	28623.00	25690.00	18278.00	26157.00	26702.00	26221.00	21311.00	23175.00	27133.00	24087.00	16222.00	23459.00	26549.00	19472.00	16115.00	24820.00	25645.00
C36 H57 N29 O6	34651.00	32158.00	34887.00	34777.00	31243.00	33219.00	36954.00	30586.00	1.00	1.00	35444.00	36997.00	33602.00	33103.00	36232.00	32668.00	38275.00	29581.00	33550.00	32155.00	36348.00	36327.00	23806.00	23121.00
Triciribine Esi+5.608001	11728.00	11051.00	10146.00	10100.00	17695.00	16622.00	9004.00	8965.00	31050.00	31158.00	10701.00	13168.00	14656.00	18791.00	20540.00	22834.00	26633.00	29518.00	18147.00	17213.00	23990.00	23509.00	19747.00	23471.00
C24 H32 N3 O4	32184.00	74413.00	31266.00	33472.00	32259.00	29697.00	28669.00	30920.00	32779.00	28772.00	33374.00	32064.00	29275.00	33456.00	27823.00	30121.00	29535.00	28637.00	34637.00	25925.00	33676.00	33356.00	24350.00	24660.00
alpha-Methylstyrene Esi+10.503999	78484.00	80186.00	47131.00	44989.00	73667.00	74617.00	38130.00	34463.00	84886.00	81809.00	37009.00	43235.00	49853.00	48954.00	45669.00	42919.00	58465.00	54459.00	36005.00	40733.00	46810.00	47146.00	31950.00	28795.00
C42 H87 N3 S	32102.00	28440.00	26024.00	30508.00	29091.00	32130.00	38899.00	32672.00	1.00	1.00	31207.00	37358.00	36837.00	28897.00	31950.00	35321.00	26228.00	29750.00	31874.00	32617.00	33184.00	34582.00	25861.00	24736.00
C33 H49 N12 S	39367.00	33341.00	36216.00	33930.00	34388.00	31807.00	37930.00	36598.00	38401.00	37280.00	37405.00	34116.00	33200.00	36578.00	42609.00	37316.00	35016.00	35307.00	32611.00	33749.00	32017.00	33993.00	32837.00	37347.00
C42 H83 N5 O11 Esi+12.670999	72000.00	70239.00	43433.00	46343.00	74213.00	77291.00	45830.00	33622.00	73846.00	86290.00	49416.00	85683.00	45078.00	45937.00	72219.00	66713.00	70725.00	68247.00	49801.00	43312.00	50187.00	54033.00	48908.00	47121.00
C47 H93 N4 O6	35133.00	33278.00	30930.00	33571.00	31606.00	35437.00	30201.00	33713.00	1.00	1.00	33473.00	34659.00	32963.00	32918.00	31092.00	30494.00	29831.00	33957.00	35626.00	39612.00	31375.00	31768.00	27265.00	24803.00
C12 H11 N O5	105124.00	54459.00	47709.00	50677.00	58718.00	40376.00	53869.00	54936.00	67574.00	40415.00	43710.00	37875.00	102027.00	50078.00	101106.00	51301.00	99101.00	55773.00	45714.00	53440.00	49194.00	58625.00	85458.00	47768.00
C39 H27 N3 O4	41189.00	38618.00	44482.00	37848.00	41559.00	44758.00	38898.00	41470.00	40971.00	43224.00	40956.00	42921.00	38762.00	43406.00	39880.00	42150.00	43364.00	41473.00	37949.00	39933.00	42555.00	37596.00	38200.00	38805.00
C16 H43 N11 O6 S	48045.00	48175.00	51889.00	46960.00	38625.00	35693.00	44801.00	46340.00	45972.00	46829.00	46567.00	44067.00	37670.00	44022.00	51378.00	51665.00	49742.00	45569.00	46587.00	40699.00	39578.00	44391.00	37118.00	46951.00
Avermectin A1a aglycone	50429.00	49188.00	37936.00	38122.00	37286.00	35394.00	40667.00	37489.00	42614.00	38260.00	36864.00	39500.00	33752.00	36685.00	48897.00	37474.00	36490.00	31900.00	41416.00	43516.00	31592.00	34413.00	36243.00	37136.00
C35 H77 N12 O19	46531.00	52064.00	41636.00	45324.00	43074.00	46497.00	43985.00	44837.00	1.00	1.00	47173.00	47775.00	53036.00	43962.00	43341.00	40371.00	44494.00	42925.00	44354.00	47343.00	48003.00	43409.00	31855.00	32900.00
C11 H17 O4 S	255201.00	250705.00	40892.00	1.00	50996.00	48512.00	38988.00	50485.00	33287.00	28313.00	18255.00	1.00	46001.00	50797.00	60961.00	63265.00	64523.00	69752.00	52561.00	46640.00	67700.00	61829.00	28718.00	26125.00
C21 H27 N6 O9	33845.00	41155.00	35132.00	37995.00	35876.00	31363.00	32137.00	37125.00	38080.00	38687.00	36886.00	37576.00	34236.00	37146.00	36784.00	31043.00	37446.00	32358.00	36156.00	36341.00	36549.00	33756.00	33369.00	36473.00
C31 H12 N5 O S	23738.00	24203.00	32669.00	24403.00	29160.00	24681.00	28200.00	21464.00	29466.00	25172.00	31886.00	24191.00	26608.00	22911.00	30422.00	21878.00	26176.00	22599.00	26708.00	24398.00	28791.00	24142.00	39944.00	23539.00
C12 H3 N2 O2 S	13660.00	1.00	20849.00	21990.00	35199.00	34713.00	25585.00	29690.00	1.00	1.00	26710.00	27705.00	27908.00	27099.00	1.00	1.00	34595.00	35082.00	9277.00	14532.00	29257.00	31677.00	10457.00	1.00
C47 H83 N20	34457.00	36265.00	35066.00	32088.00	35047.00	36881.00	36990.00	33550.00	1.00	1.00	36082.00	33881.00	36449.00	33128.00	28530.00	31128.00	30510.00	31231.00	34837.00	35246.00	34428.00	33653.00	26805.00	29008.00
C38 H85 N6 O22	40379.00	36368.00	36816.00	36284.00	39495.00	37252.00	38267.00	38099.00	1.00	1.00	36165.00	38968.00	38626.00	38666.00	36181.00	34892.00	35325.00	32387.00	42885.00	38923.00	37497.00	32551.00	28697.00	28423.00
C9 H2 O4	11565.00	15255.00	45475.00	43113.00	50674.00	47947.00	53215.00	54967.00	1.00	1.00	31136.00	34266.00	24321.00	31812.00	45678.00	43450.00	51368.00	45880.00	50137.00	49945.00	28099.00	30947.00	36397.00	31813.00
Thioridazine Esi+10.944 :1	143001.00	145295.00	148479.00	137913.00	152543.00	158507.00	155606.00	144741.00	150533.00	153960.00	160032.00	127331.00	142534.00	142365.00	120942.00	133116.00	141877.00	142573.00	159703.00	159699.00	132768.00	135535.00	156921.00	102161.00
C8 H9 Cl3 O8 S5	30645.00	28636.00	20155.00	15980.00	20670.00	28394.00	21895.00	23915.00	7012.00	6549.00	24784.00	21910.00	26712.00	22568.00	19855.00	13715.00	17345.00	14614.00	25943.00	28575.00	10072.00	19235.00	20636.00	16991.00
C12 H3 N O6	25541.00	28649.00	12430.00	9323.00	35286.00	34079.00	38475.00	36224.00	1.00	1.00	33704.00	29453.00	30087.00	26927.00	1.00	1.00	12756.00	11141.00	34105.00	37401.00	8025.00	10522.00	17351.00	14117.00
Palmitic amide	40294.00	35255.00	38480.00	52202.00	39464.00	36012.00	55930.00	37264.00	31886.00	34091.00	32034.00	44309.00	37284.00	37480.00	39553.00	57345.00	46671.00	43016.00	35641.00	37732.00	34333.00	41565.00	47419.00	35495.00
Furfural	43965.00	52179.00	34251.00	33305.00	37266.00	33224.00	40692.00	31487.00	1.00	1.00	29717.00	34032.00	30817.00	32551.00	40775.00	39571.00	39654.00	40675.00	30151.00	28473.00	40195.00	31885.00	24629.00	25036.00
C28 H32 N2 O3	28148.00	29723.00	28371.00	28814.00	37264.00	37676.00	25723.00	21467.00	36731.00	33675.00	31729.00	29567.00	34796.00	31368.00	32106.00	33188.00	41344.00	37107.00	30819.00	27806.00	33313.00	39037.00	28643.00	28168.00
Adenosine Esi+0.9659997	296169.00	292627.00	211343.00	210465.00	207710.00	204724.00	175062.00	188083.00	31565.00	34512.00	128385.00	118479.00	129361.00	136069.00	585391.00	578727.00	373166.00	393282.00	217592.00	221265.00	311097.00	320409.00	102014.00	115179.00
C24 H26 N6 O4	36759.00	34387.00	34425.00	31460.00	37266.00	30882.00	33470.00	29819.00	33606.00	28338.00	32118.00	20682.00	31685.00	31814.00	30890.00	28232.00	30499.00	28212.00	35550.00	26820.00	25921.00	33077.00	30754.00	29986.00
C18 H38 N2 O2	27099.00	36932.00	30981.00	35590.00	28579.00	28876.00	27702.00	31851.00	32176.00	25265.00	31643.00	31344.00	30268.00	30053.00	32712.00	32840.00	32263.00	26423.00	28775.00	25402.00	25487.00	30557.00	33496.00	32014.00
C37 H55 N9 O	35782.00	37503.00	45653.00	36357.00	33305.00	43191.00	34184.00	25885.00	23748.00	29010.00	33187.00	37414.00	28361.00	28687.00	31675.00	42029.00	30900.00	26000.00	36644.00	39254.00	38136.00	34656.00	33374.00	36793.00
N-Benzoyl-4-hydroxyanthranilate	17754.00	21101.00	28868.00	26084.00	33195.00	28022.00	20784.00	20905.00	1.00	1.00	15784.00	15474.00	21653.00	20021.00	34239.00	35244.00	26850.00	29537.00	16224.00	16794.00	29956.00	32031.00	11205.00	10347.00
C32 H61 N15 O2 Esi+12.368002 :1	120033.00	117648.00	68062.00	77541.00	146460.00	142724.00	72216.00	73727.00	145828.00	151783.00	81613.00	73030.00	101526.00	97203.00	102079.00	102085.00	134135.00	133834.00	70881.00	82135.00	105316.00	101254.00	87233.00	82026.00
C42 H83 N5 O11 Esi+12.668	64361.00	55801.00	31830.00	40394.00	74491.00	68500.00	35257.00	30328.00	77702.00	90058.00	55059.00	43451.00	49272.00	35832.00	70307.00	56988.00	74834.00	71056.00	51037.00	44978.00	39034.00	46068.00	45294.00	51893.00
Lys Met Lys Esi+6.2340007	1.00	1.00	18270.00	1.00	17560.00	45794.00	14881.00	41228.00	28479.00	9006.00	26991.00	10854.00	8716.00	28994.00	39554.00	38560.00	10285.00	30581.00	1.00	1.00	1.00	1.00	1.00	1.00
Diethylene glycol Esi+10.177999	34308.00	37042.00	23730.00	23404.00	19233.00	16404.00	21688.00	24570.00	25821.00	23397.00	31202.00	35113.00	19885.00	16097.00	21858.00	25745.00	23847.00	21652.00	20422.00	20591.00	24862.00	25070.00	21273.00	24057.00
C22 H12 O14	33416.00	36922.00	19324.00	20379.00	24330.00	24502.00	25321.00	23769.00	1.00	1.00	20416.00	21399.00	21542.00	20935.00	23362.00	23699.00	23509.00	24537.00	20739.00	22250.00	24517.00	24339.00	8990.00	10670.00
C7 H2 N O10 S	18950.00	21250.00	20135.00	16233.00	19241.00	19405.00	20392.00	20141.00	1.00	1.00	21160.00	19601.00	20351.00	16852.00	19319.00	18661.00	20485.00	16798.00	22442.00	22995.00	18004.00	15360.00	16820.00	16944.00
C18 H21 N3 O5	35832.00	37143.00	37515.00	35733.00	35537.00	37777.00	39058.00	31749.00	33894.00	37592.00	34838.00	31367.00	35632.00	38980.00	32826.00	36021.00	32266.00	32397.00	34331.00	35433.00	34343.00	32393.00	34728.00	31602.00
Lys Phe Ala	29442.00	27841.00	28254.00	30613.00	29555.00	29133.00	25367.00	27348.00	24765.00	28282.00	32260.00	28225.00	27489.00	27053.00	24031.00	23282.00	24703.00	22914.00	27169.00	27751.00	28381.00	22738.00	25767.00	26192.00
C17 O9	23702.00	23371.00	1.00	1.00	12084.00	11219.00	10271.00	12062.00	18572.00	18287.00	9121.00	11464.00	8730.00	7817.00	29577.00	26872.00	1.00	1.00	10972.00	10920.00	1.00	1.00	1.00	1.00
C11 H2 Cl2 N2 O5 S2	43553.00	39819.00	38807.00	39174.00	41719.00	44658.00	41354.00	43970.00	1.00	1.00	47021.00	43974.00	42777.00	40641.00	34308.00	42309.00	35381.00	34282.00	47708.00	40085.00	37534.00	41907.00	28698.00	33599.00
C34 H49 N6	44808.00	36700.00	43644.00	34361.00	38517.00	35415.00	38495.00	36411.00	31510.00	29384.00	45773.00	42669.00	44203.00	33477.00	42604.00	30180.00	36990.00	33128.00	40264.00	37262.00	36421.00	27737.00	32746.00	41932.00
C33 H38 O6 Esi+13.04	86350.00	85425.00	58667.00	56857.00	80456.00	74780.00	39620.00	25924.00	92482.00	86028.00	42415.00	39903.00	42859.00	42773.00	27139.00	29570.00	61970.00	68713.00	44643.00	25938.00	44201.00	39058.00	28639.00	30158.00
C31 H67 N28 O5	36119.00	31453.00	29105.00	29979.00	31577.00	32790.00	34723.00	35489.00	1.00	1.00	36695.00	32088.00	37584.00	36530.00	28614.00	34046.00	34873.00	32474.00	34705.00	32479.00	29537.00	39860.00	24740.00	25104.00
C19 H2 Cl2 N4 O15 S3	37937.00	40514.00	33457.00	36965.00	35929.00	41783.00	34031.00	35694.00	6304.00	1.00	39897.00	41932.00	37524.00	32583.00	29710.00	32905.00	34756.00	34244.00	40389.00	40895.00	35922.00	34263.00	32605.00	25465.00
C46 H44 N17 O	296070.00	283416.00	102559.00	99123.00	236173.00	227368.00	508683.00	500782.00	204713.00	268023.00	86859.00	97259.00	189416.00	13712.00	141184.00	145211.00	271174.00	257474.00	113656.00	100982.00	213591.00	198465.00	200372.00	192217.00
C7 H O11	30970.00	30512.00	1.00	1.00	27971.00	26892.00	39447.00	41488.00	14229.00	16833.00	34783.00	27162.00	24983.00	24145.00	1.00	1.00	1.00	1.00	38289.00	42422.00	1.00	1.00	21043.00	20233.00
C57 H87 N6 O3	25615.00	22827.00	26881.00	16289.00	13601.00	13950.00	16193.00	17130.00	18010.00	22747.00	19802.00	15149.00	21636.00	15104.00	22407.00	27992.00	19296.00	21224.00	22294.00	24655.00	19635.00	16745.00	25756.00	16063.00
Veracevine	42932.00	60687.00	53269.00	38796.00	37180.00	34897.00	41448.00	52239.00	40393.00	36428.00	48990.00	32903.00	34748.00	37871.00	38241.00	40972.00	58020.00	48839.00	52772.00	34669.00	39881.00	28322.00	32552.00	33356.00
C41 H79 N2	32772.00	34590.00	37198.00	33352.00	35344.00	33865.00	33896.00	30679.00	1.00	1.00	31886.00	31463.00	32959.00	30911.00	38298.00	35875.00	36314.00	36072.00	31742.00	32989.00	32436.00	34258.00	21831.00	25202.00
C22 H49 N4 O3	44096.00	37152.00	43894.00	35529.00	37841.00	39443.00	38169.00	35669.00	38811.00	29277.00	38177.00	27742.00	33520.00	27956.00	31852.00	40746.00	34684.00	32871.00	43530.00	46389.00	32382.00	29433.00	33166.00	38780.00
C16 H17 N5 O3	34640.00	33872.00	20341.00	17773.00	25179.00	27028.00	18310.00	18241.00	1.00	1.00	14774.00	13909.00	23466.00	23225.00	35654.00	32682.00	37703.00	37496.00	34948.00	34604.00	34579.00	31366.00	32047.00	28833.00
Ethyl isobutyl ketone	29553.00	32288.00	24937.00	26789.00	21695.00	26589.00	23195.00	22817.00	37569.00	36190.00	33414.00	35129.00	22860.00	23136.00	21220.00	23869.00	21775.00	22136.00	19673.00	17921.00	21138.00	23808.00	27447.00	28583.00
C15 H Cl3 O15 S5	34966.00	29370.00	31048.00	33999.00	31199.00	38017.00	33863.00	35981.00	1.00	1.00	34245.00	34003.00	31075.00	33186.00	29777.00	34573.00	32914.00	27053.00	30634.00	33650.00	26389.00	35275.00	23597.00	22004.00
C31 H46 N7 O2	30067.00	36531.00	36437.00	39094.00	39915.00	34243.00	39777.00	36709.00	31646.00	36554.00	40803.00	37553.00	38722.00	37138.00	29469.00	35010.00	26622.00	37206.00	37720.00	38332.00	27173.00	26988.00	31078.00	29495.00
C45 H90 Cl N7 O8	41066.00	42547.00	30418.00	35048.00	41726.00	43243.00	47735.00	37303.00	1.00	1.00	42337.00	40684.00	36804.00	42361.00	35070.00	36216.00	33401.00	35167.00	42705.00	36179.00	40558.00	35480.00	27837.00	27344.00
C35 H77 N17 O15	30794.00	29751.00	30429.00	32256.00	33757.00	30684.00	29361.00	29347.00	1.00	1.00	32794.00	29952.00	30229.00	29089.00	30536.00	28008.00	28318.00	26511.00	31040.00	30038.00	29524.00	33769.00	25730.00	25840.00
C44 H95 N5 O7	32707.00	29878.00	29503.00	32999.00	34935.00	33802.00	30685.00	29538.00	1.00	1.00	32261.00	33600.00	32116.00	31541.00	26409.00	30111.00	25266.00	28068.00	32768.00	34987.00	28699.00	31047.00	25316.00	27150.00
C12 H9 N4 O2 S	232286.00	230304.00	51198.00	47740.00	225750.00	213951.00	198125.00	204041.00	6837.00	6831.00	158692.00	152550.00	187624.00	191062.00	15881.00	14888.00	33497.00	29648.00	168628.00	170831.00	19448.00	16894.00	113121.00	111088.00
C29 H57 N5 O2	35191.00	36835.00	37087.00	39366.00	39846.00	34747.00	27935.00	34017.00	30231.00	30438.00	35213.00	35987.00	27394.00	29069.00	33855.00	33644.00	35264.00	31679.00	33045.00	33835.00	36861.00	37299.00	33798.00	34286.00
C15 H39 N9 O10 S	28964.00	33363.00	27205.00	26489.00	31702.00	31459.00	27670.00	27573.00	29635.00	31029.00	26572.00	26896.00	27212.00	28387.00	29045.00	29412.00	25283.00	28100.00	24553.00	27532.00	29760.00	27728.00	35706.00	34095.00
C15 H24 N6 O2	10467.00	10729.00	6604.00	6327.00	18927.00	13841.00	13047.00	12111.00	8831.00	13867.00	11339.00	1.00	9421.00	11228.00	14391.00	10351.00	14554.00	13738.00	13135.00	17724.00	13959.00	11696.00	8844.00	17612.00
C11 H2 N4 O9 S	32239.00	39536.00	31270.00	34544.00	34752.00	34801.00	32990.00	37822.00	30817.00	28156.00	33276.00	30588.00	27046.00	26694.00	35735.00	35038.00	29562.00	32597.00	33660.00	32062.00	28110.00	30411.00	29110.00	34055.00
C16 H2 N O11 S2	40990.00	45925.00	35912.00	35900.00	39217.00	41575.00	38803.00	38920.00	8898.00	7472.00	37331.00	42077.00	39858.00	31166.00	34222.00	31894.00	32321.00	37778.00	39724.00	37580.00	35613.00	34647.00	29541.00	32843.00
N(6)-Methyllysine	40097.00	41781.00	22795.00	23065.00	23779.00	23681.00	33438.00	36758.00	20549.00	17881.00	19590.00	22535.00	38676.00	44228.00	25969.00	27129.00	34028.00	31516.00	25535.00	18655.00	31256.00	25798.00	16854.00	17407.00
C43 H20 N7 O2	9930.00	13666.00	12301.00	22222.00	23713.00	1.00	8462.00	9917.00	12148.00	802133.00	15027.00	6560.00	1.00	1.00	14456.00	6883.00	97742.00	14332.00	9502.00	9398.00	7442.00	14120.00	14013.00	95334.00
C24 H44 N4 O4 Esi+5.4929976	17589.00	16260.00	18898.00	20194.00	47100.00	44546.00	21300.00	18755.00	21073.00	27522.00	17891.00	20979.00	15335.00	14781.00	17158.00	18461.00	14084.00	16778.00	31177.00	31707.00	15431.00	14701.00	17340.00	17291.00
C26 H47 N15 O5	49094.00	43523.00	39162.00	42283.00	36321.00	41608.00	36689.00	43230.00	38712.00	37402.00	40315.00	40845.00	41734.00	42288.00	45291.00	45068.00	40540.00	40330.00	41749.00	43177.00	38720.00	40026.00	40750.00	46792.00
C33 H57 N4 O8	34409.00	35910.00	41274.00	36315.00	33820.00	38654.00	30547.00	32945.00	28842.00	50433.00	32861.00	40603.00	40689.00	28785.00	35688.00	34520.00	70426.00	28746.00	28723.00	33117.00	33094.00	28522.00	33747.00	36624.00
C29 H32	32255.00	32429.00	26963.00	21042.00	25351.00	23520.00	23442.00	21361.00	24119.00	24187.00	1.00	1.00	21862.00	24651.00	28786.00	22364.00	27961.00	31444.00	22922.00	28568.00	26587.00	28983.00	34995.00	35688.00
C37 H75 N8 O9	63137.00	63940.00	36959.00	44206.00	82194.00	77124.00	35372.00	48841.00	74707.00	75056.00	43281.00	44872.00	47541.00	47524.00	60476.00	61085.00	69754.00	77150.00	49446.00	48118.00	56751.00	51821.00	44863.00	45400.00
C12 H26 O3 Esi+7.195001	17208.00	21383.00	1.00	1.00	16658.00	19483.00	1.00	1.00	15120.00	15796.00	13935.00	16532.00	14029.00	13983.00	1.00	1.00	14304.00	12151.00	43196.00	34349.00	1.00	1.00	27648.00	1.00
Tintinnadiol Esi+12.820004	21141.00	20530.00	27262.00	27089.00	28025.00	23276.00	24120.00	33128.00	27629.00	25797.00	31406.00	32080.00	27009.00	31258.00	28869.00	26491.00	20669.00	27792.00	32819.00	30162.00	35262.00	24488.00	29159.00	24893.00
C16 H20 N O3	25824.00	27709.00	36933.00	35675.00	23775.00	25189.00	21782.00	27048.00	24774.00	1.00	21396.00	19377.00	19197.00	15426.00	19219.00	23444.00	23230.00	22071.00	19443.00	28411.00	26657.00	29070.00	29554.00	26174.00
C21 H10 N3 O3	21193.00	23670.00	22717.00	24222.00	22511.00	21232.00	22629.00	22977.00	21352.00	21086.00	23143.00	21813.00	22467.00	19902.00	21714.00	23808.00	20293.00	22276.00	20018.00	24723.00	21593.00	21030.00	24277.00	21404.00
C17 H20 N2 S2	57402.00	57577.00	38006.00	39394.00	40983.00	48013.00	47129.00	44423.00	41215.00	45751.00	49999.00	47473.00	39000.00	38320.00	38571.00	37076.00	37723.00	33342.00	38452.00	40902.00	42028.00	42307.00	38919.00	39566.00
C28 H51 N5 O8	44451.00	38304.00	37200.00	36178.00	36973.00	39036.00	38370.00	39211.00	38178.00	39183.00	41131.00	33686.00	34829.00	36668.00	36446.00	32659.00	32372.00	31810.00	32508.00	34315.00	33854.00	35513.00	33732.00	35347.00
C30 H58 N24	28848.00	34479.00	26546.00	26194.00	24058.00	26881.00	22034.00	32327.00	28615.00	28363.00	24573.00	24219.00	22558.00	25956.00	36496.00	32563.00	39834.00	33394.00	27050.00	31074.00	21328.00	20544.00	23159.00	24430.00
C10 H9 N4 O4	104901.00	40445.00	36370.00	38221.00	43139.00	37598.00	95870.00	41575.00	67379.00	37273.00	36060.00	38988.00	97517.00	33893.00	92712.00	91851.00	35467.00	40623.00	40273.00	39904.00	41137.00	40766.00	101484.00	35490.00
C22 H35 N9 O3	35120.00	36308.00	43899.00	29983.00	42641.00	39017.00	34726.00	37520.00	28123.00	40553.00	33957.00	28874.00	42374.00	37718.00	40731.00	41510.00	28320.00	38647.00	40681.00	44048.00	39975.00	30652.00	34944.00	39561.00
C25 H14 N7 O5	9627.00	8409.00	31212.00	28688.00	16965.00	18129.00	22885.00	22969.00	7536.00	7331.00	31268.00	30482.00	17688.00	14489.00	14946.00	14500.00	18879.00	17121.00	16748.00	18854.00	25539.00	23603.00	9444.00	9441.00
C30 H65 N23 O9	26146.00	24223.00	28442.00	29749.00	31695.00	31047.00	29442.00	29185.00	1.00	1.00	28390.00	27524.00	28111.00	28412.00	28453.00	27149.00	29094.00	27650.00	25414.00	26487.00	27843.00	25393.00	18291.00	17009.00
C33 H57 N O12	46413.00	39886.00	41912.00	40310.00	52015.00	57470.00	37547.00	43795.00	46301.00	45858.00	51759.00	36058.00	38006.00	47646.00	52161.00	43946.00	36661.00	39508.00	44176.00	50563.00	37324.00	40175.00	40633.00	36745.00
C19 H47 N16 O8	40196.00	32600.00	23890.00	28000.00	32729.00	32436.00	30140.00	33795.00	31207.00	31717.00	35838.00	28846.00	30967.00	31810.00	40116.00	36178.00	33605.00	28999.00	36294.00	29536.00	33634.00	33143.00	28762.00	34902.00
C40 H25 N O2	40260.00	40432.00	38343.00	39749.00	41760.00	38022.00	39625.00	37856.00	39497.00	38379.00	44303.00	40250.00	35118.00	36138.00	35449.00	35997.00	34813.00	33667.00	41326.00	40265.00	35809.00	35529.00	39155.00	37163.00
Erythromycin D	32330.00	30163.00	32037.00	30155.00	30741.00	32173.00	30076.00	30294.00	31881.00	32638.00	31345.00	30775.00	30194.00	28356.00	28469.00	27852.00	23519.00	29006.00	29316.00	28382.00	30274.00	30773.00	28367.00	25701.00
Homobaldrinal Esi+8.020997	28238.00	33911.00	18104.00	24161.00	26086.00	20553.00	31386.00	37081.00	30311.00	23753.00	41086.00	31899.00	26426.00	24656.00	22136.00	33165.00	18425.00	26099.00	22004.00	25508.00	25357.00	22913.00	27408.00	32339.00
Tutin Esi+8.309002	26759.00	19551.00	29603.00	31972.00	14893.00	15557.00	16027.00	16880.00	13215.00	11124.00	15711.00	14792.00	15640.00	14272.00	14528.00	18457.00	18758.00	22014.00	16314.00	14730.00	24090.00	21321.00	24112.00	20052.00
C12 H4 O10	54499.00	62233.00	42535.00	41149.00	51732.00	60470.00	52718.00	57304.00	9148.00	8980.00	47019.00	51424.00	61310.00	51645.00	39295.00	47618.00	44745.00	49857.00	53902.00	53598.00	39931.00	39929.00	37326.00	35641.00
C7 H2 O S2	19430.00	11643.00	9170.00	9710.00	14316.00	18808.00	23232.00	15333.00	18137.00	13835.00	14102.00	20990.00	18632.00	19166.00	46775.00	47318.00	9121.00	16134.00	28423.00	28095.00	18932.00	10496.00	20281.00	23577.00
C8 H4 O11 S Esi+0.86899996	128914.00	124883.00	134747.00	132938.00	133381.00	131925.00	130464.00	126864.00	20391.00	18965.00	137733.00	131831.00	128811.00	117934.00	116845.00	118668.00	130882.00	123156.00	123712.00	119539.00	127281.00	124808.00	97551.00	95855.00
C16 H5 O20 S	39525.00	39776.00	42211.00	37454.00	34351.00	32430.00	34932.00	40290.00	31549.00	38075.00	35807.00	36050.00	35323.00	36335.00	30991.00	32364.00	37630.00	34210.00	38131.00	40171.00	44406.00	35820.00	34199.00	33036.00
C18 H42 N6 O2	22682.00	52924.00	64868.00	63654.00	91194.00	80945.00	53476.00	74072.00	57937.00	69225.00	46670.00	34657.00	65820.00	88498.00	147187.00	68873.00	76001.00	41528.00	53746.00	64033.00	30951.00	62881.00	21903.00	41985.00
C28 H63 N27 O3	28973.00	28209.00	26393.00	31127.00	29481.00	28361.00	26001.00	29538.00	1.00	1.00	27798.00	26527.00	26518.00	26482.00	27285.00	25967.00	28998.00	26473.00	26152.00	25552.00	27062.00	24729.00	20822.00	19991.00
C31 H63 N8 O3	34894.00	27616.00	25475.00	34223.00	31729.00	27222.00	34093.00	27891.00	31571.00	31701.00	30906.00	31722.00	25283.00	24830.00	25554.00	30410.00	31043.00	28651.00	28628.00	29851.00	28599.00	26321.00	28704.00	32763.00
C9 H2 N2 O9 S3	27952.00	27761.00	17749.00	16543.00	13753.00	19145.00	17584.00	18022.00	36708.00	31240.00	19211.00	18370.00	19885.00	16286.00	18324.00	16569.00	14452.00	12996.00	17320.00	18687.00	14205.00	13843.00	16582.00	18109.00
2-Phenylbutyrolactone Esi+8.216998 :1	98111.00	97783.00	64442.00	55892.00	73572.00	72897.00	91099.00	86687.00	82277.00	82790.00	118257.00	115921.00	62207.00	68811.00	80126.00	75198.00	64046.00	62577.00	69566.00	78801.00	83048.00	78340.00	66159.00	61873.00
C7 H14 N O9	28744.00	27293.00	33469.00	37248.00	32661.00	28743.00	26123.00	23148.00	1.00	1.00	25006.00	23487.00	24790.00	21345.00	44171.00	39676.00	37398.00	34181.00	22674.00	21227.00	37306.00	38418.00	14673.00	14533.00
C39 H84 N13 O4	26670.00	27037.00	24235.00	23741.00	24274.00	25011.00	19886.00	22839.00	1.00	1.00	25160.00	26734.00	22779.00	28076.00	25800.00	23368.00	18743.00	25971.00	28358.00	27565.00	26249.00	28928.00	22669.00	17700.00
C26 H14 N3	39390.00	42430.00	38468.00	44631.00	41021.00	38262.00	35123.00	33417.00	39132.00	44534.00	36112.00	32737.00	40249.00	21013.00	37534.00	36446.00	38380.00	32776.00	38169.00	39829.00	35381.00	36633.00	35543.00	37147.00
C17 Sphinganine Esi+9.64	19646.00	18850.00	20981.00	21492.00	37292.00	36580.00	18046.00	16310.00	58604.00	63160.00	90383.00	84108.00	16596.00	15258.00	11720.00	16182.00	22394.00	17767.00	27926.00	27077.00	23033.00	22240.00	40063.00	20068.00
C9 H2 O4 Esi+1.2600001	11074.00	9892.00	30593.00	28925.00	27785.00	29055.00	42620.00	39105.00	1.00	1.00	24775.00	24852.00	21214.00	23747.00	23912.00	20662.00	32387.00	27084.00	38188.00	34049.00	19458.00	20745.00	30617.00	29976.00
C13 H38 N9 O9	37077.00	25589.00	31449.00	33154.00	28061.00	30756.00	32046.00	30671.00	28955.00	28498.00	32214.00	32837.00	28681.00	29213.00	34304.00	34544.00	33319.00	30275.00	33124.00	31137.00	31581.00	25859.00	30119.00	38252.00
LG 100268	20833.00	20416.00	22139.00	18774.00	25040.00	25207.00	17533.00	19918.00	25741.00	30164.00	20161.00	17541.00	20699.00	17786.00	19102.00	19995.00	21001.00	24688.00	16384.00	16858.00	21381.00	18539.00	18074.00	15656.00
C23 H23 N10 O5	35448.00	37443.00	36653.00	37424.00	36381.00	34313.00	30217.00	37779.00	37419.00	32925.00	37096.00	33035.00	31550.00	32510.00	34650.00	33512.00	30859.00	30532.00	34063.00	30944.00	37323.00	29782.00	33025.00	32245.00
C19 N2 O14 S	49201.00	48867.00	50063.00	51156.00	50743.00	50971.00	47247.00	47883.00	7956.00	8182.00	47017.00	49308.00	46140.00	45140.00	42566.00	42986.00	44500.00	43958.00	47056.00	42833.00	45071.00	45990.00	34899.00	35974.00
PG(18:0/14:0)[U]	28393.00	29639.00	33025.00	34825.00	30271.00	34066.00	30333.00	31273.00	1.00	1.00	32048.00	30351.00	33675.00	31637.00	32596.00	34449.00	36133.00	32188.00	28875.00	28714.00	31778.00	33430.00	21145.00	22327.00
C17 Sphinganine Esi+9.543	22234.00	11321.00	22487.00	20453.00	21030.00	21823.00	18120.00	15636.00	34911.00	63802.00	65070.00	61686.00	19157.00	17870.00	17083.00	19275.00	19570.00	19615.00	37627.00	35550.00	21370.00	13674.00	38026.00	22701.00
C22 H17 N O26	31360.00	35204.00	24977.00	25169.00	25982.00	24802.00	27279.00	28591.00	32949.00	30195.00	28059.00	23218.00	27111.00	22708.00	34776.00	33608.00	35762.00	40235.00	26165.00	26306.00	25746.00	23760.00	25791.00	27607.00
Brevetoxin B1	28053.00	27676.00	28503.00	23574.00	29190.00	28836.00	28313.00	30139.00	1.00	1.00	29075.00	29170.00	28814.00	28814.00	25013.00	26251.00	28572.00	24956.00	27028.00	28271.00	28856.00	27278.00	19087.00	18533.00
C15 H7 Cl O7 S5	122853.00	115206.00	114674.00	108332.00	114035.00	116359.00	117989.00	113435.00	11048.00	10921.00	105624.00	106147.00	111864.00	103694.00	103594.00	108452.00	110825.00	104393.00	103875.00	109011.00	104400.00	111559.00	74377.00	73459.00
C37 H65 N5 O8	13636.00	15492.00	15094.00	10691.00	19107.00	21567.00	13412.00	11175.00	19485.00	26481.00	17851.00	16911.00	12661.00	13195.00	21300.00	20390.00	14860.00	11994.00	31725.00	32038.00	13184.00	13521.00	11406.00	14684.00
Eicosanoyl-EA	44409.00	39385.00	35167.00	37135.00	35323.00	27072.00	29636.00	32413.00	31883.00	29947.00	40700.00	27051.00	31221.00	28639.00	42473.00	27861.00	33118.00	18053.00	37283.00	30023.00	47210.00	32281.00	42604.00	38660.00
C23 H45 N8 O2	40839.00	41271.00	32463.00	42788.00	34738.00	35991.00	41193.00	53157.00	39073.00	40933.00	43346.00	79607.00	29821.00	28547.00	36360.00	52635.00	18714.00	46278.00	39471.00	42945.00	36147.00	29049.00	35452.00	23632.00
C20 H32 N12 S	21131.00	21165.00	29365.00	28692.00	24525.00	21820.00	22536.00	25738.00	36545.00	35035.00	16094.00	13226.00	19082.00	17490.00	19100.00	20030.00	25366.00	26233.00	15062.00	13976.00	23621.00	22368.00	21682.00	20951.00
C34 H68 N23	101713.00	45466.00	72781.00	77497.00	84624.00	114210.00	107847.00	78183.00	81475.00	93605.00	79201.00	69543.00	93297.00	82039.00	99455.00	96594.00	82149.00	91898.00	86008.00	90222.00	71105.00	78896.00	48046.00	93018.00
1,4-Dioxane Esi+6.330999	23637.00	24163.00	21441.00	15746.00	20001.00	19943.00	19023.00	19855.00	32346.00	36603.00	17599.00	29662.00	19516.00	23047.00	15463.00	17051.00	20152.00	17209.00	20120.00	19198.00	21389.00	19439.00	18729.00	23379.00
C13 H4 Cl2 N4 O4 S5	25334.00	23924.00	15553.00	14066.00	20742.00	27294.00	25368.00	19285.00	7558.00	1.00	29619.00	22706.00	29018.00	27886.00	18931.00	17893.00	17655.00	17344.00	29989.00	32119.00	22097.00	18484.00	28609.00	19013.00
C24 H46 N5 O8	32902.00	30317.00	22012.00	22528.00	24817.00	23539.00	21692.00	22347.00	24150.00	24932.00	21772.00	24277.00	21742.00	21411.00	28918.00	25392.00	23981.00	25609.00	25016.00	25804.00	21771.00	21107.00	19664.00	21761.00
Sethoxydim	29617.00	29970.00	25385.00	25380.00	27727.00	35968.00	23555.00	22373.00	25364.00	25988.00	27626.00	31413.00	26601.00	19120.00	22179.00	26586.00	21151.00	22523.00	35160.00	22851.00	29446.00	27501.00	21132.00	20050.00
C52 H52 N14 O3	26738.00	25998.00	28982.00	31945.00	34252.00	27891.00	31230.00	29790.00	1.00	1.00	28367.00	29509.00	29327.00	29757.00	30766.00	30226.00	29622.00	27089.00	26882.00	28102.00	31284.00	29992.00	19191.00	19258.00
Pinacidil-N-Oxide	41043.00	43474.00	23967.00	21612.00	25256.00	27139.00	27729.00	22114.00	16369.00	1.00	22020.00	18855.00	22870.00	20729.00	45216.00	45560.00	32307.00	34448.00	28344.00	31263.00	20915.00	22012.00	19626.00	19812.00
C16 H4 O3	42163.00	34887.00	48261.00	46869.00	32057.00	29064.00	34387.00	34604.00	25648.00	28753.00	35175.00	29268.00	30759.00	30085.00	39522.00	42753.00	38315.00	36663.00	27582.00	30283.00	43663.00	45366.00	26424.00	25394.00
L-alpha-Aspartyl-L-hydroxyproline	39288.00	37496.00	39360.00	43269.00	38191.00	35096.00	31436.00	34812.00	1.00	1.00	29219.00	34316.00	39110.00	36827.00	30745.00	28312.00	32514.00	36126.00	33558.00	33707.00	37059.00	28218.00	29737.00	29442.00
C44 H58 N12 S	27676.00	28066.00	32702.00	29981.00	30218.00	29404.00	32068.00	30423.00	1.00	1.00	28560.00	31053.00	31436.00	29531.00	32861.00	32842.00	32806.00	33781.00	27765.00	25625.00	31738.00	29802.00	21397.00	21636.00
C12 H10 N4 O13	26437.00	25026.00	18450.00	19710.00	26672.00	28130.00	24267.00	27369.00	1.00	1.00	20400.00	23258.00	23013.00	23659.00	23462.00	23943.00	19204.00	20350.00	22926.00	21578.00	31695.00	29036.00	9444.00	11442.00
C44 H25 N14	37682.00	35572.00	35828.00	32326.00	32122.00	37046.00	34306.00	36334.00	35117.00	34829.00	31254.00	32679.00	29738.00	32764.00	33519.00	32457.00	33697.00	32098.00	34679.00	35477.00	33707.00	37243.00	32678.00	34472.00
C32 H61 N15 O Esi+13.199003	19746.00	22103.00	41252.00	46453.00	17162.00	38536.00	30766.00	18015.00	31648.00	36542.00	19594.00	28325.00	19642.00	17956.00	29748.00	29871.00	24661.00	30842.00	18992.00	33315.00	34007.00	12024.00	19581.00	29828.00
C20 H34 N7 Esi+11.828002 :2	214218.00	195654.00	171423.00	170747.00	211467.00	202568.00	156270.00	143389.00	183057.00	177285.00	144426.00	144429.00	175405.00	166375.00	171321.00	169209.00	175143.00	183093.00	173398.00	7854.00	196237.00	187586.00	275150.00	283345.00
C59 H77 S4	25309.00	25401.00	30595.00	30993.00	30499.00	30207.00	32482.00	31417.00	1.00	1.00	26236.00	26460.00	29456.00	28669.00	28383.00	29223.00	29719.00	29600.00	25343.00	26249.00	27730.00	27544.00	21860.00	18470.00
Solanine	15713.00	14203.00	13254.00	13111.00	13353.00	13300.00	14788.00	11876.00	12331.00	14233.00	11911.00	14690.00	14164.00	15414.00	12860.00	17604.00	13984.00	13512.00	15194.00	15107.00	13555.00	15142.00	15461.00	15827.00
alpha-Methylstyrene Esi+10.240998	18440.00	21568.00	13665.00	13871.00	18751.00	23672.00	1.00	15441.00	21601.00	27152.00	14857.00	12824.00	15885.00	20978.00	17047.00	16890.00	20074.00	20408.00	12194.00	13516.00	20056.00	20775.00	15957.00	11590.00
C26 H22 N2 O9	39940.00	40897.00	31285.00	41696.00	38268.00	39488.00	30372.00	40774.00	36679.00	33691.00	33243.00	32168.00	38633.00	37234.00	31922.00	37870.00	36583.00	38916.00	39599.00	34246.00	36769.00	39296.00	31018.00	36528.00
C28 H53 N3 O2 Esi+11.578002	38352.00	32855.00	37724.00	39646.00	36929.00	39556.00	34728.00	41026.00	39572.00	39693.00	37446.00	34321.00	37464.00	38217.00	35374.00	41253.00	35740.00	37710.00	37356.00	34483.00	35502.00	39227.00	38343.00	36389.00
4E,9Z-Tetradecadienal	34913.00	29009.00	16989.00	16810.00	25542.00	24483.00	16202.00	18770.00	1.00	1.00	20395.00	18697.00	22432.00	25270.00	21923.00	21503.00	22020.00	18590.00	14843.00	15588.00	16770.00	18542.00	10253.00	12173.00
C16 H Cl3 O10 S5	36669.00	30715.00	26786.00	33870.00	32873.00	29167.00	27488.00	33388.00	1.00	1.00	24271.00	31803.00	28150.00	33537.00	31411.00	31575.00	30118.00	29836.00	33947.00	31253.00	30150.00	28694.00	22480.00	23070.00
2-Dimethylamino-5,6-dimethylpyrimidin-4-ol	17702.00	12840.00	21221.00	13600.00	12378.00	12893.00	17886.00	16701.00	1.00	1.00	1.00	15669.00	18192.00	22305.00	30757.00	26597.00	17604.00	1.00	13933.00	18373.00	24910.00	31338.00	17514.00	12446.00
C42 H80 N5 O9 S	26666.00	45176.00	35055.00	21274.00	29185.00	26065.00	32074.00	28699.00	39387.00	28045.00	42673.00	30419.00	23494.00	33479.00	33031.00	31576.00	22361.00	18679.00	30736.00	28284.00	37593.00	25202.00	29005.00	33237.00
C14 H18 N10 O	37558.00	29956.00	38390.00	30449.00	25335.00	79811.00	40046.00	27616.00	28388.00	73200.00	38342.00	28116.00	28927.00	38634.00	34149.00	38578.00	35987.00	40034.00	29295.00	37674.00	34847.00	41467.00	37470.00	39129.00
Cardiogenol C	20585.00	24878.00	31992.00	26992.00	14740.00	14271.00	14971.00	18472.00	15201.00	14649.00	16547.00	16132.00	16337.00	15963.00	13669.00	16882.00	21850.00	22089.00	16778.00	15125.00	25703.00	23657.00	18388.00	18459.00
C11 H3 Cl3 N5 O4 S2	42205.00	39306.00	29718.00	34757.00	38422.00	41771.00	37147.00	33308.00	1.00	1.00	37397.00	40763.00	30934.00	32461.00	30474.00	31830.00	33644.00	33136.00	36806.00	35688.00	36340.00	36299.00	29226.00	29950.00
Val-Leu-OH	30682.00	29477.00	34121.00	34171.00	35854.00	32475.00	31410.00	26014.00	29657.00	33266.00	28586.00	31553.00	30728.00	30166.00	33408.00	33200.00	27951.00	30846.00	28090.00	28450.00	25898.00	32486.00	31725.00	28537.00
C19 H42 N5	32961.00	35168.00	39097.00	40091.00	25301.00	34956.00	41420.00	34805.00	38249.00	29318.00	34409.00	35652.00	35303.00	35544.00	66937.00	37294.00	36285.00	36167.00	54999.00	32844.00	42421.00	31215.00	25823.00	33424.00
C6 H2 N2 O5 S2	30441.00	35765.00	27301.00	30005.00	31046.00	30168.00	33066.00	28853.00	15846.00	14032.00	31825.00	31025.00	30745.00	32110.00	34150.00	32463.00	27613.00	29701.00	31225.00	35340.00	30069.00	27083.00	32422.00	28270.00
C52 H20 N14 S	22101.00	27363.00	30537.00	24844.00	25079.00	23829.00	23529.00	22569.00	22543.00	24080.00	30283.00	21134.00	25464.00	23087.00	24042.00	21101.00	22312.00	19960.00	21822.00	22541.00	25925.00	22804.00	31270.00	24065.00
C19 H2 N2 O15 S4	32081.00	29418.00	26724.00	28197.00	31935.00	28352.00	31384.00	31865.00	1.00	1.00	31946.00	30794.00	25531.00	27162.00	24411.00	27027.00	24283.00	28589.00	31675.00	31821.00	29827.00	27556.00	24596.00	22784.00
C10 H7 Cl O3 S5	34374.00	47546.00	21677.00	24126.00	37238.00	34633.00	37967.00	34382.00	18567.00	19343.00	32541.00	28328.00	33346.00	37096.00	21139.00	22851.00	27941.00	28136.00	53541.00	37284.00	32401.00	26306.00	37732.00	41687.00
C45 H81 N5 O5 S	34024.00	41655.00	28557.00	28183.00	36604.00	36081.00	20442.00	32505.00	28815.00	29673.00	39173.00	38412.00	23086.00	27182.00	31645.00	34943.00	26975.00	32795.00	34800.00	31387.00	32655.00	30590.00	30128.00	29455.00
Pyrene-1,8-dione	27320.00	23629.00	27191.00	27358.00	25570.00	87006.00	28417.00	24039.00	1.00	42706.00	22887.00	26119.00	27386.00	93012.00	33703.00	32457.00	24305.00	64298.00	25606.00	21122.00	36794.00	31185.00	65206.00	21256.00
PE(16:0/17:2(9Z,12Z))	26078.00	26987.00	31538.00	34667.00	32383.00	29775.00	27109.00	28452.00	1.00	1.00	28244.00	28221.00	30404.00	28857.00	30665.00	31934.00	31003.00	34517.00	24993.00	24819.00	30101.00	32334.00	22809.00	18476.00
C16 H23 N5 O2	38069.00	27433.00	41166.00	38374.00	32818.00	32620.00	34605.00	34429.00	30476.00	27726.00	40503.00	28432.00	32641.00	28294.00	39447.00	31000.00	40197.00	40329.00	31533.00	31907.00	32870.00	38391.00	41767.00	36061.00
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, 2-hydroxy-2-methylpropyl	35079.00	28548.00	31642.00	27113.00	30371.00	36863.00	30358.00	34843.00	30246.00	25206.00	33832.00	24158.00	26046.00	25374.00	27922.00	28228.00	26753.00	27592.00	32040.00	28997.00	25311.00	31724.00	31448.00	30296.00
Ala His Asn	31492.00	32081.00	26441.00	27995.00	31913.00	27387.00	20635.00	23127.00	1.00	1.00	24107.00	24892.00	27845.00	29679.00	23284.00	23082.00	25499.00	23393.00	26105.00	23237.00	28870.00	26196.00	17803.00	13978.00
Gal?1-3[Fuc?1-4]GlcNAc?1-3Gal?1-4[Fuc?1-3]GlcNAc?-Sp	32606.00	28468.00	28185.00	32722.00	31926.00	28358.00	31419.00	34754.00	1.00	1.00	30485.00	27669.00	28702.00	33176.00	24924.00	28677.00	28815.00	26174.00	31649.00	28844.00	31883.00	26692.00	23042.00	18326.00
C18 H39 N11 O	28455.00	20539.00	15697.00	21006.00	17968.00	24310.00	19332.00	19340.00	30204.00	26958.00	20010.00	19292.00	17247.00	22866.00	16637.00	23482.00	16784.00	13979.00	15315.00	19268.00	14911.00	19430.00	15788.00	13830.00
C37 H56 N3 O S2	38879.00	33806.00	33781.00	33440.00	32591.00	30883.00	30186.00	32234.00	25498.00	33341.00	33362.00	28758.00	30994.00	31478.00	36751.00	33803.00	26610.00	36232.00	29528.00	31905.00	35338.00	34264.00	31171.00	27039.00
10H-Phenothiazin-2-amine, 10-[3-(4-morpholinyl)-1-oxopropyl]-	51891.00	53764.00	37011.00	36427.00	59957.00	57248.00	58326.00	58080.00	47103.00	43536.00	39667.00	36703.00	46698.00	50402.00	73438.00	85115.00	87624.00	90647.00	83471.00	80537.00	99796.00	94015.00	110382.00	113558.00
C26 H15 N6 O21	28337.00	29245.00	27585.00	28913.00	31254.00	34636.00	34749.00	30080.00	31192.00	31969.00	33624.00	31597.00	29852.00	28102.00	27623.00	24388.00	29479.00	25576.00	33431.00	31264.00	29048.00	24802.00	29680.00	28281.00
C14 H18 N14 O4	44983.00	34256.00	37449.00	37269.00	34011.00	35503.00	45414.00	43849.00	35577.00	45073.00	38940.00	31604.00	35835.00	32623.00	37730.00	36531.00	38078.00	31638.00	31391.00	33376.00	34270.00	31647.00	33323.00	39579.00
C45 H20 O2	57179.00	125539.00	120891.00	181417.00	91059.00	86964.00	97924.00	140593.00	99886.00	61017.00	46475.00	75774.00	140277.00	29567.00	45882.00	85007.00	16247.00	272508.00	47241.00	78428.00	55454.00	73342.00	43400.00	77876.00
3?,7?,12?-Trihydroxy-5?-chol-22-en-24-oic acid Esi+12.968996	28825.00	28367.00	32740.00	31156.00	28946.00	161731.00	30358.00	55088.00	25061.00	29329.00	29935.00	61679.00	67684.00	27684.00	25784.00	162173.00	152579.00	15847.00	144032.00	56916.00	27734.00	52164.00	47312.00	56999.00
Bis (2-hydroxypropyl) amine Esi+2.9280007	27829.00	25782.00	31115.00	28583.00	28862.00	23635.00	24369.00	21604.00	28318.00	23460.00	29700.00	18945.00	32774.00	25546.00	28097.00	19753.00	22730.00	24665.00	28703.00	18249.00	24225.00	25768.00	28040.00	24438.00
C6 H2 N3 O2 Esi+11.9400015	136268.00	141099.00	95914.00	93253.00	102103.00	102423.00	114909.00	107017.00	92603.00	95679.00	103592.00	105486.00	93645.00	94338.00	73626.00	88295.00	79103.00	88216.00	99014.00	92253.00	98618.00	103816.00	80754.00	95360.00
C53 H75 O	23904.00	25382.00	21190.00	21158.00	19730.00	27249.00	24272.00	25548.00	21558.00	26092.00	23464.00	21773.00	26207.00	17092.00	23391.00	21165.00	29845.00	24154.00	26691.00	20217.00	17215.00	19098.00	28809.00	24884.00
Pentanoylcarnitine Esi+4.7340007	30427.00	32796.00	16052.00	14062.00	12602.00	16239.00	15865.00	13544.00	10962.00	16434.00	20854.00	13119.00	10983.00	13505.00	31275.00	38028.00	23725.00	23637.00	18045.00	19880.00	12057.00	9601.00	13027.00	11750.00
C44 H88 Cl N7 O11	36880.00	32559.00	32307.00	31188.00	39668.00	31063.00	34638.00	32008.00	1.00	1.00	33490.00	28954.00	29709.00	27880.00	28751.00	30440.00	33967.00	26704.00	38267.00	35736.00	26128.00	28652.00	28108.00	29578.00
1-O-Methyl-myo-inositol	34016.00	37030.00	36167.00	36125.00	26704.00	25401.00	20609.00	21211.00	9297.00	9763.00	23563.00	23450.00	18989.00	21762.00	20182.00	26348.00	21435.00	21769.00	16298.00	21096.00	27801.00	20322.00	17084.00	20377.00
C40 H61 N19	61999.00	51474.00	48638.00	48597.00	58510.00	42090.00	60645.00	55032.00	54457.00	49665.00	39827.00	62602.00	44079.00	76626.00	40491.00	56562.00	42220.00	40289.00	49668.00	42045.00	50567.00	47827.00	41726.00	47029.00
C48 H85 N	39411.00	36773.00	42033.00	33870.00	36360.00	32788.00	38235.00	35381.00	1.00	1.00	35119.00	34121.00	42749.00	45186.00	36219.00	28729.00	29852.00	32724.00	32005.00	40802.00	34760.00	36056.00	25065.00	27752.00
C15 H2 O10 S	34051.00	37055.00	31735.00	32507.00	34451.00	38130.00	34617.00	26753.00	1.00	1.00	37961.00	39836.00	34980.00	31275.00	30036.00	30030.00	31952.00	30771.00	28272.00	33815.00	32957.00	32780.00	20818.00	18575.00
(S)-ATPA	20037.00	18833.00	25941.00	23658.00	25496.00	23372.00	15177.00	13623.00	1.00	1.00	7324.00	1.00	27045.00	24039.00	21860.00	25397.00	28316.00	25297.00	24740.00	22079.00	12182.00	10749.00	16791.00	13499.00
C36 H71 N15 O15	23648.00	25776.00	26967.00	27051.00	27464.00	27753.00	27813.00	26316.00	1.00	1.00	26318.00	26519.00	29020.00	27616.00	25495.00	25701.00	25912.00	23756.00	26802.00	24096.00	25885.00	24540.00	15804.00	18607.00
Neoilludin A Esi+6.4089975	43282.00	66844.00	43456.00	48746.00	76556.00	74226.00	38600.00	47609.00	131122.00	138664.00	53112.00	55400.00	66703.00	74381.00	69054.00	68344.00	121139.00	115430.00	60286.00	71449.00	93570.00	60427.00	77091.00	68846.00
C8 H13 N O4 S	25953.00	22491.00	18055.00	15805.00	17521.00	17261.00	16457.00	16945.00	1.00	1.00	13960.00	13918.00	15697.00	16666.00	16171.00	16745.00	16662.00	16114.00	15295.00	19617.00	12276.00	13928.00	12199.00	13477.00
C27 H47 N15 O3	41098.00	37747.00	35735.00	39517.00	34118.00	37495.00	35860.00	38929.00	36926.00	35144.00	37787.00	36624.00	34895.00	33028.00	33770.00	31990.00	32863.00	33279.00	36138.00	33687.00	32134.00	33137.00	31524.00	34261.00
Mycosporine Esi+1.595	29506.00	35989.00	28258.00	26279.00	31873.00	19556.00	26706.00	32308.00	1.00	1.00	24028.00	26735.00	27888.00	27307.00	43343.00	46235.00	39012.00	34961.00	28698.00	30058.00	34934.00	32716.00	14392.00	14503.00
C30 H50 O15	22993.00	22935.00	7218.00	1.00	16663.00	13800.00	1.00	8555.00	33072.00	28779.00	1.00	1.00	7616.00	8835.00	1.00	7530.00	14667.00	13604.00	6532.00	1.00	6425.00	6581.00	8726.00	11137.00
C14 H7 N7 O	22266.00	20965.00	12961.00	13499.00	18899.00	18124.00	17882.00	18546.00	1.00	1.00	13975.00	15175.00	13385.00	15938.00	19234.00	16312.00	22648.00	19044.00	15577.00	14786.00	16629.00	16901.00	10953.00	10479.00
C12 H16 N4 O	23377.00	25010.00	30814.00	28375.00	17306.00	19293.00	19879.00	17920.00	16781.00	21259.00	19656.00	21854.00	15553.00	16996.00	16449.00	28868.00	26069.00	24898.00	13741.00	25948.00	21239.00	24784.00	20302.00	22737.00
C38 H73 N15 O4	46132.00	51240.00	35949.00	29072.00	45877.00	61326.00	33100.00	27887.00	54663.00	66846.00	32484.00	23925.00	121836.00	33791.00	35723.00	56800.00	47302.00	45603.00	20714.00	16411.00	42291.00	38526.00	26385.00	34213.00
Homoanserine	23850.00	24440.00	25629.00	19281.00	21838.00	24444.00	14530.00	15771.00	1.00	1.00	11015.00	20117.00	19803.00	23114.00	23861.00	22608.00	19671.00	22727.00	22290.00	14068.00	25734.00	21268.00	9733.00	6670.00
PS(O-16:0/17:2(9Z,12Z))	29624.00	28021.00	36260.00	33162.00	30343.00	31550.00	32767.00	32009.00	1.00	1.00	32544.00	30005.00	29637.00	34177.00	36373.00	35277.00	36380.00	36372.00	28108.00	27214.00	32523.00	31664.00	21990.00	22896.00
C11 H2 O5 S3	25575.00	24079.00	17939.00	15968.00	17845.00	19878.00	17831.00	17917.00	31812.00	32775.00	16088.00	17047.00	18913.00	14913.00	15524.00	13180.00	14880.00	14166.00	17626.00	17103.00	14553.00	16313.00	17455.00	16175.00
C18 H45 N12	40042.00	50265.00	27130.00	74662.00	26351.00	42668.00	48813.00	47968.00	30952.00	45740.00	53807.00	41163.00	28732.00	38269.00	57536.00	43807.00	38012.00	41537.00	39393.00	35185.00	40070.00	40290.00	41140.00	34581.00
C12 H8 N8 O2	20140.00	24096.00	24216.00	20362.00	22765.00	19590.00	22116.00	21768.00	20221.00	20303.00	20895.00	19099.00	21130.00	22300.00	17305.00	20991.00	19237.00	16900.00	22028.00	21533.00	20293.00	15409.00	19537.00	15427.00
C9 H23 N8 O6	34615.00	32120.00	31604.00	30145.00	30534.00	40863.00	29564.00	33826.00	31844.00	25041.00	24350.00	43515.00	38443.00	31791.00	28584.00	27183.00	37179.00	26102.00	27253.00	33415.00	25957.00	29756.00	28456.00	26960.00
C24 Cl2 O3 S5	33861.00	35152.00	20018.00	24091.00	25785.00	27169.00	35816.00	25728.00	8739.00	1.00	25628.00	32307.00	24729.00	26123.00	23526.00	19368.00	22810.00	22104.00	33821.00	21828.00	23274.00	15458.00	20619.00	15457.00
C11 N2 O9 S2 Esi+0.8489997	79433.00	74622.00	75987.00	77909.00	77396.00	75249.00	78466.00	74411.00	8584.00	11779.00	79267.00	80876.00	74451.00	75582.00	69492.00	73947.00	72418.00	65608.00	72780.00	75091.00	72083.00	76010.00	59496.00	63676.00
7,8,3',4',5'-Pentamethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone Esi+9.955	32665.00	28040.00	16984.00	17176.00	26454.00	25836.00	13053.00	14832.00	26593.00	27649.00	15116.00	14593.00	18344.00	16483.00	20025.00	17432.00	18663.00	24131.00	14130.00	11875.00	18049.00	18086.00	12787.00	12959.00
Arg Lys Tyr	32223.00	27869.00	28274.00	28836.00	32042.00	32575.00	30067.00	22490.00	28253.00	42982.00	30181.00	31909.00	37194.00	24278.00	26714.00	33068.00	28141.00	27157.00	27965.00	24125.00	26178.00	27527.00	23443.00	32618.00
3,17beta-Diacetoxyestra-1,3,5(10)-trien-6-one	31562.00	30209.00	35022.00	32386.00	32255.00	29641.00	31143.00	31884.00	28720.00	25957.00	29713.00	32924.00	30676.00	34152.00	31029.00	36110.00	32178.00	29411.00	31914.00	31640.00	29180.00	28875.00	33448.00	31304.00
C21 H20 N5 O3	23245.00	23643.00	21385.00	22235.00	27820.00	31491.00	21640.00	20517.00	27089.00	27822.00	18758.00	18258.00	23079.00	22802.00	22036.00	21211.00	24013.00	21942.00	18152.00	18266.00	23396.00	21028.00	20116.00	16665.00
C42 H81 N O14	70740.00	60472.00	80361.00	54396.00	59020.00	56542.00	55218.00	53883.00	66147.00	23833.00	54699.00	58973.00	53893.00	57132.00	64004.00	56557.00	49551.00	49573.00	55945.00	53553.00	54988.00	48626.00	49529.00	89235.00
C19 H31 N6 O15	25852.00	28684.00	21496.00	24235.00	23067.00	24628.00	19161.00	18878.00	16120.00	18501.00	21113.00	21520.00	22839.00	21191.00	24712.00	31949.00	22071.00	23529.00	19785.00	23305.00	22993.00	22835.00	26130.00	26172.00
C15 H N2 O15 S2	23621.00	25773.00	22519.00	21910.00	22065.00	24044.00	21133.00	28373.00	26877.00	28169.00	21591.00	21810.00	19186.00	25533.00	26993.00	22704.00	32727.00	31600.00	24216.00	24717.00	24374.00	26394.00	18120.00	26898.00
Ranunculin	21518.00	18004.00	19095.00	17016.00	18593.00	16416.00	17346.00	18428.00	1.00	1.00	17129.00	14948.00	17050.00	13026.00	27452.00	30431.00	18766.00	18106.00	12631.00	12774.00	30765.00	34604.00	1.00	1.00
C20 H43 N11 O2	28470.00	25294.00	18968.00	17874.00	23064.00	22193.00	19341.00	18435.00	38737.00	32945.00	20337.00	20244.00	24500.00	20350.00	19968.00	20815.00	22180.00	19694.00	20878.00	21404.00	15569.00	18397.00	17797.00	14143.00
C22 H51 N21 O2 S	33719.00	33574.00	31563.00	35128.00	32261.00	31376.00	31110.00	31524.00	30251.00	27953.00	36013.00	29816.00	30645.00	30660.00	28238.00	31713.00	32575.00	27881.00	28920.00	31972.00	27283.00	33645.00	28472.00	25655.00
1,3-Diheptadecanoyl-2-hydroxy-sn-glycerol-d5	23693.00	23153.00	29338.00	28236.00	29063.00	28643.00	27922.00	25374.00	1.00	1.00	24679.00	26084.00	26440.00	26620.00	31815.00	30484.00	32347.00	29086.00	21763.00	21868.00	28703.00	31471.00	21183.00	21667.00
Leu Ala Esi+5.136001	30309.00	25269.00	18790.00	18504.00	13809.00	12553.00	14119.00	13690.00	12606.00	11070.00	9913.00	11688.00	13104.00	10959.00	13679.00	11886.00	13186.00	16310.00	17299.00	16203.00	10927.00	9983.00	13189.00	11933.00
L-Methionine S-oxide	21601.00	18472.00	20233.00	15695.00	15316.00	18163.00	154348.00	149972.00	29644.00	34703.00	19650.00	17213.00	13570.00	12640.00	19434.00	18381.00	8683.00	9002.00	14411.00	14820.00	13615.00	14809.00	106203.00	102479.00
C23 H41 N4 O2	89729.00	83663.00	108271.00	97243.00	117423.00	93756.00	85146.00	74784.00	106261.00	100513.00	95747.00	91094.00	84446.00	97193.00	85789.00	86550.00	92569.00	88486.00	96895.00	84687.00	88215.00	84987.00	81219.00	100421.00
C26 H36 N2 O6 Esi+10.51	226899.00	234968.00	125516.00	128252.00	218840.00	211079.00	121910.00	102953.00	249171.00	244006.00	125512.00	125072.00	144400.00	146142.00	138829.00	135014.00	188428.00	187851.00	113274.00	113226.00	144507.00	142821.00	114811.00	106981.00
17-phenyl trinor Prostaglandin E2 serinol amide Esi+10.507001	45376.00	38993.00	23834.00	24609.00	35086.00	40191.00	17892.00	18452.00	43247.00	41173.00	26520.00	22160.00	23050.00	24951.00	20031.00	21391.00	28349.00	28693.00	14899.00	19055.00	26746.00	25608.00	19448.00	15955.00
PC(O-16:0/13:0)	26099.00	26203.00	29863.00	29873.00	28348.00	30919.00	27364.00	26762.00	1.00	1.00	25749.00	27020.00	28085.00	30927.00	31174.00	30986.00	27099.00	31137.00	22753.00	22505.00	30919.00	28972.00	20914.00	20719.00
C15 H37 N13 O6	37862.00	38536.00	33412.00	36611.00	35436.00	37484.00	37462.00	33978.00	40936.00	36415.00	32395.00	39447.00	33277.00	32529.00	35684.00	39065.00	41310.00	33474.00	34166.00	34924.00	36808.00	35285.00	34802.00	37025.00
C10 H7 Cl3 N5 O S4	27362.00	27392.00	22018.00	22666.00	23152.00	19963.00	22224.00	23726.00	19993.00	14743.00	18824.00	23002.00	21291.00	21456.00	19400.00	20269.00	15999.00	20009.00	22317.00	19605.00	18733.00	13914.00	22427.00	18946.00
Sildenafil Esi+8.757003	440420.00	459482.00	446842.00	435064.00	435187.00	422874.00	430403.00	423189.00	446486.00	429542.00	423032.00	398434.00	426844.00	413933.00	409733.00	51426.00	422103.00	414495.00	413218.00	409925.00	411192.00	428806.00	427010.00	406214.00
C8 H6 N5 O8 S	32960.00	33049.00	26894.00	22571.00	32408.00	30156.00	28699.00	30803.00	26145.00	27403.00	28996.00	28857.00	26279.00	26025.00	26667.00	31040.00	26670.00	26401.00	32435.00	30528.00	24836.00	23918.00	25591.00	27011.00
C34 H73 N28 O5 S	29167.00	30989.00	29645.00	28748.00	38046.00	33960.00	33990.00	34472.00	1.00	1.00	36844.00	33125.00	32148.00	32262.00	24905.00	31646.00	26232.00	25528.00	35079.00	33095.00	24400.00	29384.00	23711.00	28560.00
C25 H22 N5 O S2	28666.00	26722.00	28653.00	28512.00	28239.00	28761.00	28010.00	26428.00	32499.00	27954.00	27935.00	31843.00	27311.00	27824.00	29174.00	32023.00	31780.00	29215.00	26502.00	25035.00	29525.00	28964.00	31534.00	28513.00
C21 H41 N27	20338.00	22844.00	18730.00	22343.00	20136.00	16620.00	20058.00	24797.00	22586.00	18033.00	23385.00	15692.00	19769.00	17240.00	32731.00	25136.00	17631.00	19377.00	20428.00	20358.00	22297.00	20528.00	22730.00	25477.00
C25 H45 N Esi+12.5320015	1.00	27543.00	29577.00	25289.00	11838.00	13162.00	18250.00	20258.00	29637.00	17391.00	19356.00	12870.00	17676.00	14589.00	11916.00	12076.00	23706.00	17300.00	17297.00	33473.00	23497.00	22669.00	33369.00	19143.00
l-2-hydroxy-decanoic acid Esi+4.958	147354.00	143967.00	1.00	1.00	67821.00	86881.00	1.00	74467.00	1.00	1.00	1.00	1.00	106210.00	1.00	1.00	1.00	1.00	1.00	195744.00	171657.00	1.00	1.00	1.00	1.00
C52 H91 N2 O4	22728.00	21442.00	21907.00	21672.00	25329.00	23328.00	28476.00	22977.00	1.00	1.00	18238.00	23756.00	25887.00	26194.00	14729.00	17897.00	19727.00	19207.00	31982.00	28404.00	19119.00	17704.00	20235.00	20566.00
Ser His Asn	106393.00	97622.00	99901.00	92961.00	102309.00	92862.00	95204.00	96004.00	97355.00	101407.00	97925.00	100688.00	86592.00	89899.00	102900.00	89190.00	96711.00	95683.00	100291.00	97308.00	93863.00	86906.00	99304.00	96734.00
N-acyl capnines Esi+12.408998 :2	126484.00	128128.00	96420.00	83140.00	114344.00	132036.00	80554.00	74731.00	164938.00	161588.00	102124.00	79552.00	107545.00	108120.00	95607.00	105546.00	135933.00	135706.00	81849.00	81515.00	103965.00	107912.00	80578.00	85729.00
Palmitoyl N-Isopropylamide	38953.00	35187.00	23793.00	22440.00	24976.00	22040.00	25891.00	20251.00	25374.00	19887.00	24474.00	25890.00	17571.00	22457.00	18628.00	21614.00	23585.00	16298.00	22877.00	26783.00	37049.00	20511.00	25324.00	28212.00
KDNalpha2-3Galbeta1-4Glcbeta-Cer(d18:1/22:0)	28031.00	29080.00	33112.00	31058.00	26931.00	26966.00	26234.00	27211.00	29169.00	24945.00	29796.00	28445.00	27892.00	26005.00	27080.00	26482.00	25346.00	25092.00	25154.00	23738.00	26116.00	28421.00	26776.00	25434.00
Jervine	42586.00	40893.00	42109.00	39968.00	40394.00	36000.00	43722.00	37324.00	40540.00	39395.00	39673.00	38584.00	37354.00	36781.00	33080.00	33635.00	36816.00	35521.00	35731.00	35698.00	36572.00	40460.00	35781.00	36343.00
C7 H10 N6 O7	26183.00	29262.00	18443.00	17039.00	27267.00	24483.00	33254.00	32237.00	5455.00	6520.00	26597.00	25792.00	19758.00	22720.00	21010.00	17783.00	21556.00	19768.00	36614.00	31287.00	32716.00	24332.00	25552.00	27479.00
PE(22:1(11Z)/0:0)	28540.00	26091.00	26350.00	31173.00	26468.00	26964.00	23747.00	26571.00	24314.00	27325.00	26467.00	22137.00	27085.00	25444.00	23449.00	26397.00	26671.00	27196.00	26205.00	27008.00	24647.00	25364.00	26048.00	27254.00
PS(O-16:0/18:2(9Z,12Z))	27512.00	25428.00	29136.00	28220.00	27910.00	23367.00	25472.00	27447.00	1.00	1.00	26401.00	27867.00	28212.00	27593.00	28722.00	28229.00	29326.00	28104.00	22604.00	21144.00	27876.00	27097.00	19059.00	16689.00
C13 H25 N O2 Esi+10.0390005	19464.00	18354.00	13008.00	11513.00	17925.00	19043.00	17409.00	20547.00	19109.00	18206.00	19959.00	18881.00	16334.00	15130.00	15463.00	15149.00	9425.00	7304.00	10598.00	12593.00	10643.00	9827.00	14504.00	10847.00
C20 H43 N11 O	31224.00	41003.00	27486.00	26824.00	29287.00	28652.00	33560.00	35461.00	29171.00	32847.00	31236.00	34194.00	33756.00	27713.00	26583.00	49160.00	26431.00	26381.00	29335.00	25408.00	28498.00	23826.00	26932.00	29692.00
C29 H65 N22 O8 S	22457.00	21159.00	25706.00	26066.00	27124.00	27471.00	26732.00	28103.00	1.00	1.00	24161.00	25029.00	23948.00	25073.00	25075.00	24980.00	24391.00	26143.00	25235.00	25878.00	23305.00	26844.00	16914.00	16175.00
C16 H3 N2 O15 S2	25506.00	24354.00	25477.00	26245.00	26893.00	26944.00	22534.00	28519.00	27683.00	27891.00	26585.00	24659.00	26955.00	31309.00	33559.00	30162.00	25404.00	28422.00	31187.00	25542.00	25652.00	20034.00	30708.00	23042.00
Fructoselysine Esi+0.869	72938.00	72127.00	54807.00	72059.00	69895.00	64887.00	72514.00	78800.00	1.00	1.00	44744.00	40454.00	66283.00	56542.00	71259.00	62901.00	97278.00	85564.00	98736.00	87534.00	79324.00	85087.00	75137.00	73112.00
C16 O S2	14572.00	16687.00	20857.00	23254.00	31032.00	29464.00	25093.00	27227.00	1.00	1.00	23959.00	23014.00	24840.00	26782.00	25185.00	29656.00	30576.00	27371.00	25352.00	26687.00	22672.00	22948.00	14179.00	19380.00
GalNAc?1-4GlcNAc?-Sp	30359.00	28283.00	32515.00	29215.00	28974.00	30427.00	28747.00	30993.00	28479.00	28302.00	28201.00	29252.00	30851.00	28576.00	30758.00	30679.00	30461.00	28898.00	32118.00	27739.00	30000.00	32104.00	28267.00	28255.00
C37 H73 N26 O3	34136.00	34459.00	35041.00	35313.00	36021.00	37628.00	36768.00	40099.00	1.00	1.00	35187.00	38494.00	37028.00	37628.00	36220.00	33305.00	34962.00	32065.00	39330.00	37842.00	34959.00	34206.00	33563.00	32602.00
alpha-Methylstyrene Esi+10.503999 :1	49420.00	76561.00	44295.00	42180.00	71393.00	70730.00	37085.00	32607.00	85321.00	79415.00	41726.00	41296.00	40845.00	46984.00	42020.00	40419.00	57207.00	53342.00	32583.00	38846.00	48449.00	47833.00	32112.00	28449.00
C14 H22 N3	19815.00	26156.00	19650.00	18649.00	14054.00	20821.00	21855.00	26392.00	17224.00	16196.00	11425.00	14313.00	17397.00	28248.00	15077.00	13483.00	15407.00	15034.00	11998.00	21255.00	15206.00	15869.00	14767.00	13370.00
20?-Dihydroprednisolone	21966.00	32304.00	15863.00	19972.00	20562.00	16213.00	24907.00	16609.00	15078.00	21568.00	22816.00	19623.00	20750.00	21024.00	18132.00	17304.00	23114.00	22489.00	17926.00	26133.00	24263.00	18467.00	13074.00	17239.00
Methional	28175.00	24414.00	23378.00	19691.00	25510.00	27486.00	26275.00	29850.00	27519.00	29285.00	27347.00	25648.00	21465.00	19686.00	24805.00	25897.00	13334.00	15797.00	23734.00	24480.00	21871.00	23548.00	19887.00	20987.00
2R-aminoheptanoic acid Esi+1.2450002 :1	50818.00	52321.00	32604.00	39845.00	35358.00	36805.00	38605.00	50303.00	38762.00	50238.00	37995.00	35926.00	38631.00	43446.00	49893.00	50029.00	44399.00	36677.00	32619.00	34868.00	27507.00	26978.00	26902.00	28209.00
Disuccinimidyl Suberate	24083.00	25143.00	20723.00	21822.00	24604.00	21986.00	18904.00	21923.00	21623.00	22214.00	25792.00	24158.00	19184.00	21993.00	19939.00	23225.00	18698.00	18888.00	20356.00	19437.00	22380.00	23225.00	23649.00	21055.00
C51 H94 Cl3	31113.00	29804.00	28000.00	31349.00	31383.00	25156.00	30032.00	29111.00	1.00	1.00	29761.00	28182.00	26263.00	32046.00	24559.00	27257.00	23087.00	26172.00	26873.00	29428.00	27704.00	26604.00	21382.00	24310.00
C13 H22 N10 O9	13366.00	11171.00	21096.00	25773.00	16222.00	14095.00	16012.00	16677.00	12512.00	11905.00	23441.00	24584.00	16480.00	18136.00	14406.00	13772.00	18913.00	16097.00	14088.00	16083.00	31200.00	30890.00	12540.00	12795.00
C37 H81 N11 O4	38429.00	41078.00	33975.00	32383.00	27516.00	33209.00	31077.00	31771.00	1.00	1.00	31749.00	31271.00	33876.00	37594.00	32435.00	33166.00	39667.00	30336.00	33918.00	37487.00	32580.00	36953.00	29487.00	29071.00
C29 H57 N29 O4	24670.00	23766.00	24999.00	24816.00	26866.00	27316.00	26445.00	25766.00	1.00	1.00	25885.00	25429.00	26402.00	25292.00	23834.00	25930.00	24723.00	24476.00	24688.00	25174.00	25839.00	27305.00	16730.00	17145.00
C17 H37 N Esi+11.447999	9767.00	13824.00	9976.00	16062.00	10625.00	20424.00	12087.00	15288.00	11138.00	13088.00	34326.00	27832.00	10454.00	1.00	9647.00	12077.00	1.00	12332.00	11623.00	16324.00	9171.00	10267.00	9851.00	8880.00
C9 H16 N5 O	38793.00	39641.00	44098.00	44136.00	41954.00	31668.00	23131.00	17196.00	1.00	8099.00	36751.00	34245.00	31797.00	24486.00	36722.00	35548.00	49855.00	55996.00	53732.00	38041.00	32125.00	41932.00	25755.00	25142.00
C44 H73 N22 O2	29598.00	29667.00	30776.00	27290.00	28997.00	32274.00	22585.00	29919.00	27051.00	26974.00	22210.00	24698.00	30366.00	20750.00	22667.00	24599.00	25821.00	27024.00	24794.00	32166.00	24269.00	31121.00	24101.00	20098.00
C46 H52 Cl N10 O5 S3	19168.00	19854.00	28228.00	28963.00	23264.00	21496.00	23059.00	21076.00	1.00	1.00	21959.00	21726.00	24588.00	25356.00	27404.00	30921.00	28943.00	29767.00	16314.00	21693.00	26208.00	24032.00	17882.00	16175.00
C47 H52 N8 O2	35899.00	31387.00	31942.00	30112.00	31475.00	27958.00	29445.00	32631.00	30283.00	31924.00	25698.00	30942.00	30646.00	27600.00	31876.00	31461.00	32492.00	30825.00	29759.00	29152.00	27763.00	29588.00	28386.00	25536.00
Sarracine	26763.00	26483.00	20892.00	29597.00	24837.00	23697.00	22139.00	23060.00	25535.00	20037.00	34739.00	26413.00	16390.00	22181.00	22934.00	23535.00	22531.00	17999.00	22787.00	19579.00	22160.00	25131.00	22301.00	20264.00
Diacetyl	16974.00	13137.00	19696.00	18227.00	23658.00	16000.00	17154.00	18222.00	31476.00	30453.00	12677.00	11255.00	12722.00	15156.00	11897.00	12038.00	12442.00	16546.00	15723.00	11959.00	14647.00	17435.00	15524.00	17058.00
alpha-Methylstyrene Esi+10.503999 :2	76009.00	79339.00	44677.00	41980.00	71987.00	68262.00	36283.00	32607.00	85321.00	79061.00	41315.00	41771.00	41248.00	46933.00	42700.00	40419.00	57088.00	53643.00	32852.00	38712.00	47542.00	47348.00	31812.00	28672.00
C23 H41 N Esi+11.761996	20073.00	15106.00	12382.00	17927.00	18095.00	16220.00	13323.00	14208.00	21951.00	18707.00	16403.00	13663.00	13097.00	17577.00	21387.00	16321.00	24218.00	17169.00	18804.00	19953.00	15637.00	16071.00	17190.00	17366.00
C7 H6 Esi+10.089	14220.00	11331.00	14167.00	7629.00	11934.00	11908.00	28714.00	28480.00	13459.00	15000.00	9536.00	9018.00	13208.00	10543.00	8180.00	7103.00	12752.00	15717.00	7370.00	6941.00	16769.00	18060.00	18262.00	16086.00
C38 H79 N O25	22369.00	24452.00	25918.00	23357.00	24655.00	25686.00	24354.00	24593.00	1.00	1.00	23992.00	22420.00	24763.00	22820.00	23822.00	23826.00	23187.00	23710.00	21674.00	22941.00	21746.00	24084.00	16001.00	15450.00
C13 H6 N O11 S	28219.00	25418.00	24974.00	30003.00	27144.00	25974.00	28314.00	24901.00	1.00	1.00	29651.00	31803.00	26606.00	24601.00	28135.00	24275.00	28635.00	23131.00	29476.00	26106.00	25501.00	26687.00	14615.00	17515.00
2-Hydroxyxanthone	17108.00	16864.00	25637.00	24616.00	30559.00	28523.00	26988.00	29224.00	1.00	1.00	30155.00	30996.00	19094.00	20824.00	26316.00	20914.00	20665.00	23929.00	22618.00	24829.00	32416.00	26623.00	25566.00	16268.00
C5 O9 Esi+0.83399975	253109.00	264276.00	212288.00	203703.00	245844.00	232966.00	254642.00	245985.00	85648.00	87588.00	229356.00	233589.00	213538.00	214569.00	197015.00	200308.00	193753.00	193448.00	236125.00	241540.00	201705.00	198055.00	189398.00	182131.00
C48 H85 N2 O3 S2	33112.00	24964.00	23588.00	26870.00	29893.00	28674.00	30761.00	31741.00	1.00	1.00	21092.00	24002.00	23731.00	29517.00	18987.00	28540.00	29314.00	30555.00	27566.00	29196.00	26442.00	25728.00	20995.00	20447.00
C41 H79 N15 O6	28868.00	30111.00	27900.00	25010.00	36864.00	43731.00	22195.00	14897.00	40647.00	30699.00	28581.00	22250.00	24866.00	25891.00	30248.00	33666.00	31674.00	30868.00	26829.00	25979.00	21528.00	26785.00	23507.00	27061.00
dihydro-?-ergocryptine	23696.00	25750.00	21763.00	24437.00	23715.00	25462.00	23398.00	22327.00	34826.00	34927.00	20259.00	22603.00	24691.00	21859.00	23700.00	26593.00	23861.00	24652.00	24849.00	24421.00	19773.00	23553.00	22057.00	22948.00
Psoralidin	8938.00	1.00	17589.00	1.00	12471.00	1.00	17216.00	18630.00	19134.00	18053.00	1.00	8154.00	9269.00	9024.00	9273.00	10298.00	15950.00	17439.00	10522.00	9414.00	14945.00	15694.00	10101.00	12731.00
C45 H58 N O2 S2	30611.00	29207.00	28182.00	26708.00	28712.00	28338.00	28752.00	27507.00	31859.00	30956.00	27873.00	28851.00	29471.00	27305.00	27855.00	29545.00	30454.00	28179.00	27850.00	28783.00	27524.00	26955.00	25152.00	26791.00
C44 H65 N2 O	22101.00	29102.00	35449.00	30047.00	42530.00	46140.00	28895.00	26700.00	33789.00	31705.00	27214.00	26054.00	28018.00	27226.00	36442.00	32622.00	30090.00	31890.00	32881.00	31546.00	36986.00	34614.00	29056.00	33839.00
C29 H55 N8 O4	16497.00	18339.00	25837.00	25306.00	30705.00	31443.00	18025.00	20839.00	30125.00	27653.00	34927.00	17159.00	23398.00	18622.00	23126.00	17415.00	28371.00	19617.00	23873.00	27949.00	29670.00	16956.00	22393.00	17789.00
C7 H13 O2	18245.00	18399.00	12277.00	24055.00	23054.00	26366.00	22556.00	31139.00	6672.00	11421.00	15414.00	12310.00	15848.00	17703.00	26281.00	16455.00	18164.00	15979.00	10423.00	9935.00	12037.00	13816.00	21720.00	15420.00
C40 H87 N6 O21	26521.00	26833.00	27106.00	30755.00	27008.00	31652.00	34416.00	32068.00	1.00	1.00	31736.00	27835.00	33774.00	35325.00	30531.00	27447.00	28882.00	27778.00	31280.00	28103.00	30956.00	28188.00	23656.00	22107.00
C23 O15 S2	28144.00	26263.00	29132.00	28818.00	29009.00	29796.00	29441.00	30301.00	1.00	1.00	28935.00	29120.00	24374.00	28080.00	23062.00	26065.00	25934.00	23707.00	25326.00	25016.00	28683.00	25635.00	22081.00	22038.00
C27 H34 N12 O	21332.00	18413.00	18015.00	15056.00	21693.00	21041.00	34569.00	31417.00	21562.00	22911.00	15976.00	13618.00	21334.00	16968.00	13299.00	13588.00	27563.00	20202.00	13215.00	18570.00	24123.00	18745.00	20483.00	22617.00
C22 H18	27026.00	25669.00	44937.00	26009.00	21153.00	30716.00	35950.00	27983.00	28830.00	25783.00	29968.00	32212.00	32592.00	32955.00	31580.00	30010.00	40378.00	46686.00	26774.00	26399.00	40436.00	28015.00	28846.00	28073.00
C22 H28 N O12	28793.00	27912.00	23840.00	27602.00	24765.00	26815.00	24803.00	26646.00	29341.00	24705.00	26115.00	27734.00	25326.00	29481.00	26475.00	32409.00	26479.00	26774.00	26261.00	22761.00	25593.00	24233.00	25998.00	26789.00
C6 H N3 O3 S	32369.00	32802.00	12393.00	25998.00	29722.00	32878.00	29993.00	32063.00	6700.00	7809.00	28915.00	31213.00	38589.00	31119.00	27211.00	26634.00	24991.00	27484.00	35193.00	37029.00	33777.00	32433.00	24379.00	25741.00
C29 H53 N4 O14	32768.00	34148.00	34697.00	36414.00	30667.00	32209.00	29753.00	30206.00	32740.00	32113.00	31311.00	34147.00	29322.00	36463.00	38258.00	30806.00	34137.00	34359.00	29932.00	33645.00	33394.00	32123.00	35034.00	36509.00
C9 H19 N8	27899.00	42890.00	15019.00	18762.00	38864.00	21708.00	36125.00	22328.00	35569.00	37720.00	36470.00	18663.00	18714.00	17483.00	17501.00	31293.00	42558.00	13629.00	46321.00	27289.00	11429.00	13758.00	14858.00	15283.00
C25 H13 N6 O21	23009.00	20173.00	22354.00	23216.00	16483.00	21582.00	21380.00	21021.00	28140.00	22606.00	20149.00	18479.00	19927.00	22061.00	28246.00	29980.00	31361.00	29718.00	23564.00	27721.00	20656.00	22480.00	21928.00	21025.00
Artonol C	12956.00	10221.00	12865.00	11174.00	10758.00	10001.00	11681.00	10548.00	1.00	1.00	10126.00	12042.00	14909.00	12567.00	29952.00	28584.00	14776.00	13709.00	12962.00	12542.00	13327.00	13642.00	6796.00	7178.00
C18 H27 N2 O13	23192.00	20499.00	18933.00	17783.00	18571.00	15853.00	14838.00	16882.00	13997.00	14693.00	14172.00	14983.00	14197.00	14540.00	9739.00	1.00	9391.00	9845.00	1.00	10895.00	1.00	8818.00	9158.00	1.00
C35 H67 N26 O8	24819.00	25405.00	26526.00	25386.00	23925.00	26576.00	26413.00	25279.00	1.00	1.00	23378.00	26151.00	24331.00	28322.00	22632.00	23235.00	20777.00	22496.00	23906.00	29818.00	24288.00	24956.00	23950.00	20123.00
2-methyl-undecanoic acid Esi+9.265	98452.00	57065.00	108057.00	127238.00	156693.00	194752.00	31810.00	49144.00	89228.00	178906.00	89403.00	74533.00	70585.00	94886.00	104787.00	79716.00	85494.00	26174.00	117656.00	126053.00	165452.00	72899.00	125142.00	27813.00
C34 H71 N30 S	35736.00	30761.00	27853.00	30614.00	31969.00	32959.00	34877.00	28477.00	1.00	1.00	31438.00	29652.00	33714.00	29187.00	26753.00	29186.00	25810.00	31087.00	29808.00	29714.00	30103.00	28140.00	23952.00	23154.00
C6 H13 N3 O6 S	25759.00	26545.00	26395.00	24666.00	26678.00	26258.00	25827.00	24968.00	29782.00	27045.00	25034.00	23555.00	25575.00	25182.00	25277.00	20145.00	29457.00	23976.00	22461.00	24633.00	27548.00	26260.00	25846.00	29585.00
C15 H39 N14 O4	30396.00	32127.00	37166.00	34788.00	64823.00	40127.00	25855.00	16453.00	26579.00	28443.00	32896.00	34738.00	31728.00	27775.00	26262.00	27043.00	26476.00	29680.00	31269.00	32987.00	19923.00	22171.00	37674.00	27200.00
C6 H2 N O9 S2	35121.00	43964.00	37094.00	34593.00	47406.00	42155.00	39001.00	34730.00	1.00	1.00	40053.00	38398.00	42019.00	43779.00	38960.00	35453.00	35347.00	28544.00	40428.00	39850.00	43070.00	45611.00	19840.00	23157.00
C36 H61 N15 O3	11700.00	9563.00	10025.00	13263.00	19286.00	17994.00	11137.00	10966.00	18346.00	13808.00	14097.00	13610.00	8566.00	9775.00	20331.00	19714.00	12859.00	10478.00	27051.00	25393.00	9075.00	12096.00	10458.00	9937.00
Licorice glycoside E	1.00	1.00	23952.00	21454.00	9769.00	8825.00	11710.00	11340.00	1.00	1.00	17060.00	16502.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
Capsi-amide	24057.00	24860.00	18767.00	22390.00	24183.00	21655.00	26679.00	23088.00	25565.00	21896.00	19456.00	24446.00	23217.00	21702.00	68315.00	22417.00	18462.00	22349.00	20447.00	69962.00	20609.00	22453.00	21317.00	20861.00
C40 H83 N22 O2 S	25657.00	24165.00	21607.00	21588.00	18089.00	19749.00	27123.00	22421.00	1.00	1.00	19565.00	18739.00	20296.00	19803.00	17042.00	19052.00	14442.00	19819.00	23586.00	23405.00	20839.00	19652.00	19962.00	12278.00
Tebufenozide	20358.00	19765.00	18663.00	19603.00	16170.00	17631.00	18609.00	20347.00	21671.00	21388.00	24142.00	23292.00	17706.00	16986.00	19201.00	21578.00	18849.00	17999.00	17838.00	16278.00	22073.00	17021.00	19611.00	19972.00
Thiamet G	19543.00	33226.00	49990.00	51285.00	14491.00	36325.00	26891.00	27137.00	8919.00	1.00	50405.00	53825.00	31229.00	39382.00	85889.00	86148.00	59126.00	28331.00	26637.00	25532.00	18596.00	59483.00	51162.00	23358.00
Capryloylglycine	20750.00	21382.00	21084.00	20148.00	15988.00	20370.00	18346.00	22359.00	19832.00	21374.00	15100.00	14200.00	18209.00	18485.00	20682.00	21033.00	19938.00	22357.00	17092.00	17648.00	20475.00	20257.00	21812.00	25468.00
C40 H87 N20 S	27838.00	26979.00	27338.00	26109.00	29625.00	29247.00	28597.00	29174.00	1.00	1.00	27744.00	29167.00	24237.00	31373.00	19170.00	20570.00	26696.00	25342.00	26311.00	33035.00	27504.00	25079.00	22862.00	20291.00
C44 H93 N12 O2	29803.00	32101.00	27553.00	27972.00	34111.00	31892.00	35462.00	30161.00	9340.00	9826.00	33292.00	35114.00	30841.00	28847.00	24034.00	29075.00	26785.00	23928.00	28462.00	34103.00	29516.00	32142.00	25445.00	31711.00
Avermectin A2a monosaccharide	24992.00	19436.00	20294.00	21340.00	21889.00	20713.00	18176.00	20747.00	18606.00	19268.00	19758.00	21063.00	19000.00	20591.00	29684.00	25629.00	18874.00	18950.00	21633.00	20352.00	22279.00	20289.00	21242.00	19805.00
Soularubinone	21521.00	20690.00	26226.00	26179.00	27297.00	25285.00	24594.00	23769.00	1.00	1.00	23615.00	23806.00	23827.00	23295.00	22946.00	23101.00	22369.00	23319.00	23105.00	24419.00	23481.00	25278.00	15451.00	17088.00
C59 H72 N9 O2	27000.00	25200.00	26550.00	25522.00	26719.00	27483.00	27586.00	27895.00	29188.00	24216.00	27318.00	28058.00	31016.00	25964.00	30854.00	23175.00	25107.00	24902.00	23074.00	26538.00	27476.00	23732.00	27390.00	26476.00
C11 H14 N10 O5	26020.00	27817.00	32005.00	31972.00	26234.00	28433.00	31351.00	29682.00	17304.00	17454.00	22938.00	22656.00	22355.00	32051.00	30401.00	50535.00	40055.00	43097.00	20625.00	19368.00	41256.00	40547.00	15935.00	17719.00
C17 H Cl3 N5 O6 S5	30835.00	31506.00	29896.00	29043.00	32320.00	32894.00	30597.00	29165.00	1.00	1.00	33480.00	30453.00	27171.00	30873.00	24821.00	27454.00	27368.00	27009.00	35435.00	32712.00	26966.00	30350.00	23360.00	25185.00
C40 H85 N25 S	21835.00	26715.00	22667.00	23342.00	15147.00	22926.00	24788.00	28959.00	24768.00	24249.00	24591.00	25611.00	20464.00	27608.00	22480.00	24980.00	19775.00	24986.00	23058.00	26689.00	23495.00	19834.00	20056.00	26219.00
Cys Asn Ala	26765.00	23711.00	21417.00	22642.00	17400.00	19022.00	17085.00	15375.00	1.00	1.00	11535.00	11490.00	11054.00	11406.00	48951.00	51150.00	33189.00	37188.00	21986.00	22557.00	29053.00	29423.00	7460.00	6737.00
C26 H43 N6 O19	20338.00	19763.00	1.00	6101.00	14776.00	16344.00	8323.00	6159.00	28750.00	28400.00	1.00	1.00	8973.00	8247.00	6333.00	6693.00	13179.00	13764.00	5846.00	1.00	7858.00	7323.00	11163.00	10515.00
C15 H29 N O3	14324.00	6873.00	13711.00	12224.00	13918.00	16916.00	25763.00	13876.00	20233.00	19270.00	16324.00	18454.00	18277.00	9981.00	10412.00	9023.00	8445.00	8361.00	17077.00	15671.00	14765.00	16799.00	10588.00	10379.00
C17 O21 S	27605.00	31197.00	25484.00	24193.00	28342.00	26656.00	30908.00	28807.00	1.00	1.00	24234.00	23048.00	32781.00	28852.00	26075.00	26045.00	25135.00	25630.00	26122.00	28979.00	26057.00	28214.00	14358.00	18855.00
C43 H75 N2 O4 S	25119.00	19417.00	17039.00	28144.00	25462.00	33247.00	19082.00	34936.00	28908.00	31710.00	19156.00	24862.00	20413.00	20571.00	37124.00	39422.00	25096.00	16416.00	25785.00	18262.00	14266.00	24622.00	42611.00	25990.00
Asp-Asn-OH Esi+13.640005	11994.00	13791.00	17208.00	10464.00	18614.00	9309.00	11733.00	14355.00	12961.00	12530.00	18221.00	12094.00	15603.00	9932.00	16539.00	12905.00	11920.00	12644.00	12116.00	11189.00	13972.00	9654.00	27620.00	9950.00
C9 H8 N3 O9	11527.00	11559.00	14409.00	18943.00	16299.00	16310.00	24289.00	19968.00	1.00	1.00	26568.00	24183.00	19361.00	17068.00	17852.00	19324.00	22206.00	21442.00	22369.00	29625.00	25528.00	28491.00	16424.00	16052.00
C49 H91 N	36905.00	35820.00	32776.00	31634.00	34315.00	36785.00	36568.00	36831.00	1.00	1.00	33097.00	35674.00	33432.00	33830.00	30597.00	30445.00	31642.00	29216.00	38684.00	39933.00	32475.00	33780.00	25602.00	30166.00
Sarmentosin epoxide	542896.00	525578.00	324718.00	303449.00	501131.00	511468.00	602668.00	605099.00	43317.00	43992.00	455799.00	467081.00	415967.00	406833.00	381620.00	390529.00	560434.00	559787.00	859357.00	866199.00	644251.00	652919.00	554165.00	541511.00
C29 H52 N5 O14	37481.00	31406.00	16199.00	24959.00	19852.00	27740.00	24481.00	27779.00	28433.00	36075.00	24986.00	22251.00	25722.00	19227.00	36348.00	14343.00	26844.00	34991.00	30434.00	22924.00	20626.00	21371.00	36435.00	27367.00
1?,3?,4?-p-menthane-3,8-diol	26782.00	24752.00	22577.00	20001.00	12350.00	12234.00	13239.00	12088.00	8461.00	13126.00	23762.00	21894.00	15623.00	12105.00	13092.00	12771.00	23758.00	21263.00	10556.00	11340.00	22128.00	23247.00	20130.00	13485.00
C33 H55 N2 S Esi+12.445004 :1	88232.00	90048.00	75372.00	52491.00	66060.00	103043.00	71706.00	72277.00	101362.00	100432.00	69569.00	48839.00	78693.00	78168.00	79299.00	75213.00	76928.00	90213.00	73728.00	75645.00	69018.00	70915.00	76901.00	54411.00
C8 H2 N2 O7 S2	17228.00	15778.00	12746.00	19711.00	16117.00	16800.00	18740.00	16890.00	1.00	1.00	19075.00	16820.00	12326.00	16046.00	40499.00	30192.00	15823.00	14616.00	24291.00	19623.00	13946.00	12466.00	12908.00	15813.00
C10 H14 N11 O4	82069.00	85411.00	59447.00	58484.00	75753.00	72122.00	85982.00	87726.00	1.00	1.00	62797.00	64969.00	62675.00	66160.00	70395.00	70496.00	73286.00	75543.00	131541.00	117901.00	85593.00	85571.00	110546.00	104734.00
Ptd(S)Ins-(3,4)-P2 (1,2-dipalmitoyl)	20404.00	21184.00	25996.00	22949.00	23596.00	22364.00	22978.00	22904.00	1.00	1.00	23913.00	23140.00	24371.00	22267.00	23244.00	21930.00	23711.00	20282.00	22240.00	19636.00	22590.00	22769.00	18034.00	15636.00
C17 H10 N12 O2	28284.00	21824.00	26991.00	28499.00	28599.00	26965.00	30020.00	29128.00	24204.00	33052.00	24339.00	24854.00	23230.00	19550.00	26823.00	28106.00	27969.00	28461.00	29544.00	23460.00	28288.00	33032.00	20240.00	27301.00
C11 H18 N4 Esi+6.0119987	65458.00	61228.00	86821.00	82131.00	73193.00	55121.00	84525.00	81314.00	34318.00	33600.00	51931.00	56744.00	36861.00	27916.00	49908.00	51079.00	42916.00	98783.00	55446.00	106311.00	58773.00	106284.00	86055.00	89850.00
C18 H10 N8 O2 Esi+11.881001	26902.00	23657.00	29202.00	24963.00	26924.00	27437.00	26222.00	25735.00	28484.00	23953.00	23118.00	23248.00	23349.00	20963.00	26467.00	24899.00	23268.00	22499.00	29001.00	23114.00	29823.00	19842.00	29216.00	18827.00
C21 H40 N7 O	309341.00	305476.00	298740.00	308959.00	295910.00	296206.00	273392.00	289701.00	356071.00	338398.00	293333.00	300012.00	301924.00	264166.00	588339.00	579983.00	335815.00	334590.00	294955.00	322543.00	274253.00	260470.00	275196.00	286508.00
C26 H43 N8 O3	24178.00	25311.00	20061.00	20319.00	26936.00	23046.00	24696.00	27252.00	23147.00	29977.00	24428.00	29068.00	18710.00	18788.00	21843.00	22393.00	23395.00	19263.00	22274.00	27670.00	20961.00	23296.00	21731.00	21476.00
C34 H71 N28 O7	28487.00	28084.00	25608.00	30136.00	34130.00	31398.00	31258.00	27515.00	1.00	1.00	26331.00	26389.00	31061.00	27754.00	25302.00	24024.00	24220.00	24296.00	29457.00	30277.00	28404.00	24871.00	23564.00	20870.00
C39 H36 N14 O13	19802.00	18035.00	7801.00	1.00	15907.00	14979.00	10171.00	7125.00	26751.00	26062.00	6056.00	1.00	9876.00	10970.00	9957.00	9219.00	15826.00	13094.00	1.00	1.00	7534.00	8533.00	8406.00	11158.00
C5 H5 O5 S	23677.00	26297.00	18136.00	15428.00	22872.00	33900.00	25750.00	26031.00	1.00	1.00	25401.00	22062.00	24826.00	28653.00	19641.00	14319.00	26248.00	14774.00	30520.00	25502.00	23355.00	29570.00	21850.00	20202.00
(25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-27-oyl taurine	32125.00	39934.00	31422.00	42582.00	44743.00	40384.00	45149.00	45126.00	37498.00	38943.00	33392.00	33653.00	33386.00	32545.00	42549.00	39959.00	41503.00	40519.00	34682.00	35167.00	34176.00	41405.00	34101.00	31860.00
C27 H59 Cl2 N20 O4 S5	19586.00	18910.00	25916.00	28778.00	23138.00	21049.00	24067.00	23468.00	1.00	1.00	20250.00	21005.00	21616.00	22946.00	29125.00	28865.00	28884.00	28132.00	19085.00	18709.00	24633.00	25171.00	15000.00	14651.00
C9 H20 N2 O	26813.00	26959.00	25004.00	27708.00	28128.00	26338.00	24780.00	28663.00	28044.00	22389.00	21417.00	24135.00	23811.00	26580.00	25670.00	27244.00	26638.00	25829.00	26649.00	27197.00	25053.00	23816.00	27725.00	22098.00
Irehine	27250.00	25156.00	26446.00	27484.00	21764.00	23903.00	21713.00	19716.00	23114.00	25164.00	26143.00	22733.00	19004.00	21810.00	28482.00	17801.00	22697.00	21487.00	25955.00	24164.00	22717.00	22024.00	21936.00	23162.00
C30 H42 N4 O6	29181.00	40199.00	30096.00	26245.00	29673.00	28162.00	28049.00	26296.00	25300.00	25482.00	25049.00	30517.00	27818.00	25828.00	28431.00	22398.00	31191.00	22258.00	27008.00	33328.00	21457.00	25249.00	24772.00	26133.00
C44 H67 N4	11015.00	10342.00	14768.00	13345.00	11072.00	9399.00	8342.00	10723.00	1.00	1.00	11905.00	10105.00	13219.00	11979.00	16038.00	11746.00	13247.00	14189.00	6368.00	8922.00	12787.00	10632.00	7902.00	9511.00
C23 H43 N O S	20324.00	17126.00	17009.00	17555.00	18585.00	20139.00	17147.00	11451.00	24578.00	23500.00	17336.00	15952.00	17669.00	22365.00	22465.00	16292.00	15711.00	14951.00	18101.00	13404.00	18486.00	17231.00	15309.00	17562.00
Desmopressin	25749.00	26762.00	30973.00	26943.00	30887.00	28270.00	29221.00	30550.00	1.00	1.00	29608.00	30354.00	33042.00	28853.00	29192.00	29749.00	28679.00	26472.00	28933.00	30709.00	29197.00	26819.00	21021.00	18586.00
Cinncassiol C3	13288.00	23054.00	19062.00	13947.00	23287.00	21733.00	13475.00	12125.00	12063.00	14643.00	12175.00	11547.00	12984.00	14758.00	11996.00	11265.00	13887.00	12815.00	10270.00	11019.00	15178.00	12533.00	9884.00	9617.00
C12 H20 N9 O S	13800.00	17351.00	17095.00	16588.00	18260.00	16404.00	19499.00	16016.00	17298.00	14897.00	18702.00	15441.00	13375.00	11203.00	18769.00	16473.00	22981.00	20130.00	16426.00	10720.00	14377.00	18303.00	14134.00	13976.00
C28 H17 N8 O17 S	29854.00	25828.00	22260.00	21511.00	26562.00	23767.00	26810.00	31956.00	23037.00	25971.00	24688.00	24460.00	31193.00	30104.00	24311.00	31609.00	30319.00	26984.00	28695.00	26492.00	29200.00	25231.00	28044.00	24851.00
C17 H6 N2 O14	22170.00	21986.00	18442.00	20895.00	21934.00	21585.00	23767.00	21106.00	1.00	1.00	27073.00	20692.00	17374.00	18350.00	18451.00	17172.00	17214.00	19587.00	17681.00	22133.00	18558.00	17896.00	9989.00	9619.00
4,4'-Biphenyldithiol Esi+1.0109998	66238.00	71240.00	49764.00	463816.00	46127.00	45584.00	39847.00	392120.00	183684.00	181645.00	362027.00	361778.00	375762.00	38549.00	58677.00	53327.00	62876.00	62726.00	32790.00	364031.00	54378.00	53840.00	31627.00	27525.00
C14 H16 N4 O8	18557.00	17485.00	11175.00	11003.00	12156.00	9847.00	13017.00	17433.00	1.00	1.00	11997.00	15964.00	14218.00	9312.00	14155.00	17275.00	12770.00	12464.00	19825.00	21766.00	15197.00	12259.00	22464.00	21209.00
C18 H6 Cl2 O3 S3 Esi+0.8430003	72663.00	74122.00	59687.00	66864.00	66027.00	67797.00	69025.00	69882.00	7566.00	11418.00	65870.00	68808.00	61231.00	69115.00	67533.00	65397.00	61819.00	60696.00	73111.00	66819.00	63664.00	61895.00	52166.00	52312.00
Anguvetin	23222.00	23963.00	19668.00	23259.00	21933.00	21486.00	17377.00	20201.00	1.00	1.00	18694.00	17315.00	18427.00	17687.00	20604.00	24493.00	22659.00	19991.00	17341.00	17842.00	23509.00	20219.00	11199.00	9076.00
Musk xylene	25003.00	24995.00	27275.00	29496.00	30850.00	33798.00	19167.00	21537.00	1.00	1.00	35946.00	33038.00	26613.00	26393.00	35705.00	35987.00	27927.00	27638.00	25724.00	20824.00	27294.00	31226.00	12157.00	14708.00
Flemiwallichin D	27573.00	28280.00	25730.00	24665.00	23924.00	22631.00	21400.00	21389.00	1.00	1.00	24029.00	18953.00	21466.00	20174.00	24552.00	25079.00	23885.00	23161.00	20263.00	22931.00	25617.00	27229.00	13569.00	12492.00
C21 H35 O4	21998.00	19750.00	21287.00	19581.00	14016.00	21595.00	19541.00	16891.00	18973.00	19243.00	22552.00	25722.00	19287.00	21556.00	19809.00	20906.00	22179.00	18099.00	17870.00	21268.00	20304.00	20162.00	21903.00	18212.00
b-D-Glucopyranosiduronic acid	26835.00	26557.00	14546.00	14610.00	14577.00	17956.00	19623.00	18350.00	1.00	1.00	13819.00	12198.00	17090.00	13687.00	27561.00	25897.00	34021.00	34990.00	31715.00	29485.00	22739.00	23802.00	24778.00	27414.00
C10 H14 N9 O3	1.00	1.00	16892.00	22759.00	33151.00	21703.00	1.00	24605.00	1.00	1.00	1.00	1.00	17347.00	1.00	30644.00	31254.00	31065.00	33300.00	1.00	30780.00	24898.00	26343.00	24731.00	20646.00
C3 H8 Cl3 N2 O3 S	10344.00	10072.00	19782.00	18573.00	10352.00	11720.00	9497.00	11475.00	1.00	1.00	8192.00	11441.00	7167.00	11378.00	12427.00	11880.00	6716.00	8857.00	13765.00	15049.00	1.00	1.00	9105.00	10578.00
C15 H28 N7 O4	24028.00	18669.00	17931.00	19829.00	20506.00	21789.00	17289.00	20077.00	23552.00	26767.00	16417.00	20529.00	18173.00	18417.00	19325.00	24692.00	19293.00	20829.00	18884.00	18536.00	18378.00	16839.00	23362.00	21377.00
C24 H26 N6 O4 Esi+7.891999	263506.00	265414.00	250743.00	269551.00	271873.00	259716.00	238225.00	251419.00	247117.00	249996.00	244749.00	249385.00	243220.00	247330.00	241148.00	233175.00	244351.00	251800.00	239013.00	246675.00	235586.00	243966.00	239734.00	236301.00
C27 H61 N21 O12	19225.00	19129.00	20086.00	22454.00	20976.00	22457.00	17764.00	19645.00	1.00	1.00	19222.00	20606.00	19593.00	21574.00	22828.00	22620.00	22134.00	20275.00	16999.00	19248.00	20963.00	22644.00	12508.00	13876.00
C37 H53 N12 O	26277.00	26003.00	25710.00	24269.00	27035.00	23119.00	56475.00	23039.00	24406.00	27204.00	25011.00	27436.00	19275.00	25952.00	26089.00	36387.00	24328.00	22450.00	26729.00	28881.00	23698.00	18742.00	28486.00	24288.00
C32 H69 N13 O17 S	22033.00	23071.00	23768.00	23235.00	21749.00	22515.00	22695.00	22311.00	1.00	1.00	20789.00	21789.00	21433.00	21423.00	21839.00	22768.00	22897.00	21109.00	22567.00	18764.00	21695.00	22605.00	13013.00	15232.00
cis-7-Hexadecenoic Acid	24356.00	25466.00	1.00	1.00	15749.00	19442.00	1.00	1.00	14349.00	20768.00	26097.00	21750.00	14678.00	18526.00	1.00	1.00	14055.00	1.00	35022.00	34510.00	1.00	1.00	1.00	1.00
C8 H2 O8 S2 Esi+0.8269998	70687.00	73346.00	58119.00	55108.00	74584.00	75326.00	69217.00	76133.00	1.00	1.00	67917.00	70401.00	75947.00	71515.00	48099.00	40926.00	51992.00	52262.00	64571.00	70898.00	76300.00	69608.00	47683.00	54170.00
C34 H34 N	19686.00	19577.00	18366.00	20748.00	16839.00	19450.00	17268.00	16821.00	18870.00	21863.00	21458.00	14893.00	19428.00	14914.00	20417.00	14156.00	23565.00	20194.00	13195.00	23885.00	19271.00	18278.00	16880.00	21442.00
alpha,4,2'-Trihydroxy-4-O-geranyldihydrochalcone Esi+11.606001	23484.00	19861.00	7368.00	7878.00	13145.00	13461.00	9069.00	9977.00	26996.00	25330.00	13784.00	1.00	11204.00	15003.00	9743.00	11708.00	16589.00	19961.00	1.00	1.00	11203.00	7442.00	10826.00	12178.00
C37 H65 N5 O S Esi+13.114999	103360.00	85258.00	42903.00	61012.00	104295.00	100859.00	68640.00	47185.00	121047.00	149442.00	38193.00	60183.00	85539.00	91578.00	72339.00	67927.00	112750.00	104911.00	58031.00	22403.00	62454.00	67289.00	52807.00	57961.00
N-(2'-(4-benzenesulfonamide)-ethyl) arachidonoyl amine	27047.00	21334.00	22500.00	19038.00	23115.00	20867.00	20454.00	23195.00	24014.00	22400.00	23101.00	24460.00	23122.00	22339.00	19866.00	23694.00	24531.00	15990.00	21504.00	23305.00	21777.00	22952.00	19650.00	24231.00
C19 H37 N3 O18	23582.00	23527.00	18850.00	22992.00	23263.00	24818.00	17928.00	17064.00	22457.00	23874.00	20078.00	19304.00	20186.00	20850.00	23741.00	22694.00	19799.00	20235.00	21190.00	20644.00	23353.00	22256.00	25668.00	27040.00
Methyl bisnorbiotinyl ketone	19220.00	17030.00	25780.00	25615.00	12731.00	11092.00	12968.00	14970.00	12177.00	16521.00	18110.00	16765.00	13278.00	14647.00	10244.00	11442.00	22132.00	19752.00	14774.00	13810.00	20364.00	19941.00	21379.00	22208.00
C6 H6 N O6 S5	32505.00	39948.00	19133.00	20271.00	24373.00	27263.00	27713.00	28047.00	12804.00	12434.00	17842.00	25755.00	23338.00	26762.00	16835.00	18172.00	18352.00	15731.00	31635.00	24328.00	25968.00	23813.00	19311.00	21029.00
Spisulosine	32367.00	26235.00	28332.00	26956.00	20111.00	27908.00	24644.00	22051.00	22368.00	19687.00	25437.00	20688.00	25019.00	19369.00	20112.00	22326.00	21157.00	24715.00	29181.00	23616.00	23635.00	22734.00	18518.00	27793.00
Thr Trp Gly	20833.00	21826.00	19284.00	18547.00	19978.00	19721.00	16838.00	22073.00	15982.00	18940.00	17588.00	15097.00	19144.00	18056.00	18524.00	21161.00	16408.00	18988.00	21342.00	20543.00	16145.00	20694.00	20387.00	16969.00
Capsi-amide Esi+13.036997	23719.00	21410.00	20334.00	22580.00	21380.00	18867.00	18752.00	20821.00	21992.00	21252.00	20542.00	20401.00	19927.00	18264.00	16605.00	19585.00	16984.00	16809.00	21976.00	17161.00	20970.00	20513.00	18920.00	17761.00
C31 H43 N8 O	15089.00	20574.00	9176.00	9880.00	14007.00	13778.00	29793.00	25654.00	13882.00	15078.00	7071.00	10317.00	15365.00	14033.00	14322.00	13511.00	16983.00	16783.00	10290.00	12617.00	15999.00	15737.00	15954.00	17602.00
C34 H67 N18 O3	15623.00	18859.00	17588.00	22139.00	22102.00	26418.00	24379.00	28956.00	19040.00	20949.00	21980.00	23489.00	20109.00	17207.00	23578.00	18283.00	20724.00	19675.00	23445.00	22661.00	23609.00	22755.00	23953.00	20994.00
C10 H4 N5 O2	18400.00	21897.00	1.00	6930.00	7904.00	7196.00	1.00	1.00	1.00	1.00	1.00	1.00	7962.00	5943.00	24628.00	25279.00	16512.00	15240.00	7066.00	1.00	14991.00	16245.00	1.00	1.00
C22 H52 N12 O12 S	21971.00	20876.00	19477.00	16041.00	21702.00	20397.00	15745.00	18147.00	21922.00	21543.00	18410.00	19335.00	18001.00	18994.00	21369.00	20756.00	17844.00	18231.00	16599.00	15321.00	17263.00	20395.00	23018.00	24934.00
C38 H83 N19 O10 S	14684.00	14306.00	20039.00	20158.00	22159.00	23234.00	18474.00	19616.00	1.00	1.00	20432.00	22347.00	20823.00	17455.00	19400.00	18568.00	20801.00	18141.00	21650.00	24489.00	21466.00	22434.00	16929.00	16973.00
C25 H51 S2	20722.00	19311.00	25670.00	28035.00	21716.00	25226.00	24591.00	16463.00	18382.00	28734.00	27400.00	30432.00	23038.00	22154.00	22752.00	22125.00	32021.00	24960.00	22630.00	32878.00	28947.00	24575.00	18678.00	21039.00
Thr-Nap-OH	29314.00	31034.00	26525.00	29660.00	29644.00	32473.00	22868.00	28161.00	32678.00	37876.00	27494.00	28424.00	26792.00	28004.00	32917.00	28318.00	29629.00	27232.00	29164.00	30936.00	26104.00	27831.00	28566.00	30738.00
C15 H2 Cl2 N5 O6 S5	25298.00	26903.00	22354.00	20229.00	26841.00	21052.00	21737.00	23010.00	1.00	1.00	22523.00	22061.00	18907.00	23014.00	17332.00	14985.00	19893.00	19911.00	27062.00	22028.00	18096.00	21418.00	15816.00	17811.00
C22 H32 N6 O2 Esi+6.302001	12652.00	15214.00	36699.00	9915.00	19630.00	19589.00	27243.00	24026.00	12220.00	18528.00	12574.00	11868.00	20136.00	58795.00	37271.00	38129.00	12830.00	35440.00	10272.00	26265.00	1.00	1.00	1.00	1.00
C30 H45 N9 O	23339.00	27379.00	24630.00	17966.00	17531.00	19410.00	26081.00	21395.00	38898.00	35971.00	21198.00	23179.00	21784.00	26668.00	25371.00	21233.00	21544.00	21694.00	26207.00	25894.00	23346.00	24654.00	29249.00	26920.00
C15 O21	28172.00	27844.00	24863.00	26758.00	29265.00	28515.00	27810.00	27328.00	1.00	1.00	27308.00	24499.00	27603.00	25430.00	22474.00	24036.00	24780.00	21991.00	26391.00	27302.00	23571.00	28911.00	22040.00	21259.00
C18 H2 O18 S2 Esi+0.8409997	51656.00	52439.00	49898.00	46725.00	52181.00	50330.00	51683.00	51883.00	7767.00	7207.00	53231.00	50649.00	48792.00	46912.00	42158.00	44935.00	45665.00	44856.00	51163.00	51158.00	47945.00	50018.00	41968.00	42109.00
C17 H20 N2 S2 Esi+11.938997	57402.00	57577.00	38006.00	39394.00	40983.00	48013.00	47129.00	44423.00	41215.00	45751.00	49999.00	47473.00	39000.00	38320.00	38571.00	37076.00	37723.00	33342.00	38452.00	40902.00	42028.00	42307.00	38919.00	39566.00
C5 H11 Cl3 N O S5	20435.00	23636.00	13064.00	12720.00	18702.00	21454.00	19966.00	23342.00	7693.00	6495.00	20656.00	19668.00	20435.00	19448.00	12181.00	14094.00	10721.00	11789.00	23258.00	21751.00	15570.00	12698.00	15548.00	18803.00
3-Butylidene-7-hydroxyphthalide Esi+11.786001	21609.00	20543.00	18167.00	20229.00	21361.00	19129.00	18866.00	19373.00	23310.00	21674.00	35743.00	36349.00	20948.00	19398.00	17944.00	22905.00	22097.00	20716.00	19814.00	22076.00	19608.00	19670.00	19462.00	16660.00
Cholest-5-ene	21529.00	20939.00	19035.00	17992.00	19706.00	21562.00	23357.00	20668.00	1.00	1.00	20201.00	18915.00	19854.00	21097.00	14679.00	19251.00	18852.00	19242.00	18625.00	18610.00	19145.00	20629.00	15676.00	16815.00
aluminum acetate	23995.00	20372.00	1.00	1.00	19272.00	22027.00	26008.00	22169.00	14562.00	12225.00	20324.00	22429.00	17992.00	18353.00	1.00	1.00	1.00	1.00	24547.00	24953.00	1.00	1.00	14280.00	13505.00
C15 H Cl3 O18 S2	25954.00	23851.00	22249.00	20012.00	25548.00	28570.00	22017.00	20924.00	1.00	1.00	25638.00	21403.00	24888.00	20972.00	18652.00	21613.00	18532.00	19856.00	29342.00	23915.00	21230.00	21868.00	13910.00	22882.00
Tyr Gln Trp	17117.00	17477.00	23098.00	21177.00	21130.00	18941.00	19752.00	18210.00	1.00	1.00	19634.00	19896.00	18870.00	18008.00	21056.00	20542.00	18854.00	19234.00	18916.00	17778.00	19002.00	19546.00	13565.00	13851.00
5-Methylthio-D-ribose	30575.00	28114.00	21900.00	21976.00	24252.00	24212.00	18617.00	20170.00	1.00	1.00	19676.00	19780.00	19888.00	23335.00	32441.00	25186.00	24042.00	21165.00	18555.00	22418.00	25372.00	25310.00	12737.00	19379.00
Hoiamide A	22648.00	17867.00	21080.00	22761.00	21382.00	21216.00	24821.00	20565.00	1.00	1.00	18029.00	19435.00	18956.00	20293.00	19035.00	24475.00	21472.00	22947.00	17169.00	16663.00	20738.00	22672.00	11933.00	13421.00
C26 H34 N18 O12	20469.00	22554.00	18046.00	21223.00	17168.00	20390.00	18052.00	16916.00	21921.00	25635.00	18661.00	19374.00	24727.00	19445.00	21671.00	21574.00	20520.00	18142.00	19988.00	16227.00	23290.00	19173.00	25127.00	23856.00
C22 Sulfatide	16973.00	19097.00	12212.00	14458.00	23725.00	18151.00	11783.00	11139.00	18954.00	20394.00	12905.00	15448.00	13378.00	12235.00	19438.00	18731.00	19340.00	19024.00	12583.00	17904.00	16035.00	14132.00	19688.00	13479.00
C20 H21 N17 O8	11360.00	10215.00	12806.00	11718.00	16535.00	16380.00	9015.00	8439.00	20503.00	18601.00	24539.00	26508.00	16909.00	14191.00	13144.00	14212.00	10109.00	7841.00	35235.00	35752.00	40541.00	42172.00	11513.00	8515.00
C17 H27 N5 Esi+8.119002 :1	43937.00	43876.00	45898.00	42683.00	46624.00	47816.00	43105.00	42294.00	45228.00	46158.00	42304.00	34099.00	40867.00	38696.00	49330.00	44249.00	40539.00	38203.00	39628.00	40186.00	36797.00	42950.00	34046.00	38606.00
N2,N2-Dimethylguanosine	24392.00	25218.00	22757.00	23016.00	22991.00	24818.00	20074.00	21209.00	1.00	1.00	15815.00	14817.00	18759.00	19428.00	21202.00	23712.00	17079.00	15625.00	16916.00	19607.00	19267.00	19478.00	11178.00	7954.00
C8 H Cl3 N O12 S	18582.00	23638.00	13351.00	10469.00	14246.00	12976.00	12716.00	9841.00	10167.00	8356.00	13683.00	11225.00	8774.00	12474.00	11741.00	11078.00	16614.00	8886.00	18082.00	15301.00	6368.00	10985.00	11080.00	12727.00
Phorbol 12-tiglate 13-decanoate	22212.00	19209.00	25297.00	21688.00	18853.00	20415.00	21760.00	20295.00	21153.00	19384.00	18660.00	22956.00	18895.00	16130.00	17285.00	18384.00	19166.00	15515.00	19788.00	17184.00	18207.00	17243.00	17509.00	18713.00
Tyr Thr Lys	20483.00	18835.00	19008.00	21207.00	21735.00	22119.00	20297.00	24360.00	25085.00	20569.00	22304.00	19311.00	22746.00	16748.00	18688.00	22934.00	23542.00	19979.00	21183.00	21340.00	17469.00	20584.00	17971.00	23622.00
C11 H2 Cl3 N O2 S5	28559.00	23508.00	25099.00	23959.00	22149.00	24354.00	23134.00	25897.00	27814.00	25884.00	23248.00	24190.00	24252.00	24033.00	26589.00	30473.00	23035.00	28712.00	28830.00	25346.00	23827.00	22458.00	23370.00	27602.00
C13 H7 O2	20568.00	20064.00	21767.00	21488.00	17537.00	19372.00	21903.00	20331.00	18730.00	19495.00	21686.00	19453.00	19741.00	23127.00	21794.00	17481.00	22362.00	20884.00	18377.00	21207.00	20988.00	19842.00	20411.00	19535.00
C58 H59 N5 O2	20033.00	18091.00	22547.00	23075.00	19142.00	20270.00	20945.00	19913.00	1.00	1.00	21722.00	22829.00	21717.00	20095.00	23891.00	22648.00	22213.00	24883.00	18236.00	19306.00	20911.00	24917.00	15521.00	12756.00
Rubratoxin B	15812.00	16886.00	21789.00	18188.00	19884.00	19991.00	19043.00	18357.00	1.00	1.00	17569.00	19001.00	19935.00	21115.00	19749.00	19586.00	19532.00	19467.00	17466.00	15512.00	16833.00	19826.00	12722.00	12467.00
C31 H47 N8 O12	26409.00	22134.00	19575.00	21753.00	21518.00	19499.00	21647.00	18729.00	21488.00	22319.00	18660.00	19403.00	20125.00	18811.00	19932.00	22013.00	20376.00	21588.00	20543.00	20671.00	22911.00	18388.00	19384.00	20102.00
4,2',4',beta-Tetrahydroxy-6'-methoxydihydrochalcone	27845.00	25836.00	15931.00	15606.00	18407.00	20416.00	8417.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	8161.00	21011.00	19407.00	16980.00	17368.00	1.00	1.00	1.00	6584.00
C18 H34 N14 O9 S	22853.00	22480.00	16766.00	16874.00	19009.00	16227.00	10182.00	10945.00	1.00	1.00	14077.00	13414.00	13264.00	12336.00	10932.00	8706.00	17276.00	16122.00	14639.00	12480.00	13592.00	12590.00	13068.00	11091.00
C19 H35 N8	1.00	1.00	18666.00	1.00	24115.00	22504.00	59294.00	60216.00	1.00	1.00	1.00	1.00	19833.00	22118.00	79670.00	77512.00	11539.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
Adifoline	27635.00	19766.00	24940.00	27540.00	24898.00	21982.00	19952.00	26411.00	23528.00	27245.00	23412.00	24993.00	25576.00	24779.00	26884.00	21356.00	24751.00	19851.00	30793.00	26621.00	23929.00	29904.00	27128.00	21365.00
1,3-Di-(9Z,12Z-octadecadienoyl)-2-hydroxy-sn-glycerol-d5	28469.00	24903.00	24614.00	24200.00	23960.00	21800.00	23486.00	19800.00	1.00	1.00	25516.00	22232.00	23600.00	22466.00	26567.00	28664.00	24073.00	24550.00	19756.00	22699.00	22732.00	22402.00	18561.00	16925.00
C29 H59 N2 O S	23835.00	20197.00	7811.00	16379.00	16111.00	18315.00	19526.00	21421.00	20219.00	20368.00	23247.00	27644.00	18093.00	15538.00	19101.00	20059.00	18618.00	16919.00	20106.00	21261.00	24720.00	19168.00	29294.00	16179.00
C33 H75 N27 O9	18181.00	19387.00	21058.00	19538.00	19015.00	19165.00	20120.00	17321.00	1.00	1.00	19089.00	22269.00	20226.00	15851.00	17030.00	22632.00	20944.00	17181.00	19998.00	20080.00	17891.00	18585.00	17799.00	12660.00
C19 H48 N13 O2 S2	22740.00	20393.00	19287.00	19221.00	21005.00	19532.00	21185.00	21152.00	20396.00	21472.00	20850.00	22328.00	19053.00	15571.00	22634.00	22017.00	24707.00	21912.00	19236.00	21096.00	16417.00	19043.00	18689.00	21078.00
Glycyl-H-1152	23318.00	23465.00	21675.00	22949.00	21031.00	18093.00	22186.00	20166.00	1.00	1.00	17384.00	16244.00	16170.00	18493.00	22404.00	21838.00	20581.00	18648.00	16230.00	13940.00	16934.00	14425.00	10562.00	10050.00
N-Nitrosoguvacoline	57490.00	60981.00	50945.00	58219.00	53220.00	49662.00	42446.00	42047.00	21819.00	22851.00	44457.00	38893.00	51370.00	52954.00	49516.00	50869.00	54621.00	47206.00	49340.00	53617.00	44127.00	40247.00	38781.00	39373.00
(S)-3'-Hydroxycoclaurine	22065.00	17475.00	19452.00	18225.00	21700.00	18515.00	17736.00	20963.00	20241.00	19997.00	16193.00	20398.00	21901.00	17827.00	17881.00	19204.00	21979.00	18409.00	21412.00	17066.00	16463.00	20823.00	19954.00	18444.00
C29 H7 Cl3 O9 S5	26868.00	24917.00	24937.00	23616.00	26610.00	26142.00	24659.00	25274.00	1.00	1.00	26115.00	26151.00	19457.00	25586.00	22805.00	22770.00	20103.00	22445.00	24657.00	24422.00	26087.00	24991.00	20454.00	20563.00
C28 H16 N2 O4	11731.00	20490.00	13232.00	11157.00	14798.00	12726.00	8657.00	9783.00	9031.00	12655.00	11214.00	9104.00	11056.00	8965.00	8788.00	9983.00	13420.00	10030.00	9883.00	1.00	11051.00	9358.00	33737.00	1.00
C14 N O2 S	12681.00	13554.00	9695.00	1.00	16229.00	16546.00	16086.00	17242.00	1.00	1.00	15769.00	15359.00	12876.00	15619.00	14782.00	16077.00	8460.00	7932.00	28135.00	23603.00	6855.00	9898.00	11676.00	15059.00
C20 H26 N20	10779.00	11013.00	15051.00	14045.00	16543.00	17300.00	10429.00	11986.00	17880.00	19466.00	19619.00	18436.00	11557.00	7234.00	7929.00	8403.00	10545.00	12202.00	1.00	1.00	8592.00	10263.00	1.00	1.00
C16 H25 N10 O6	22458.00	21799.00	10847.00	11422.00	8905.00	6571.00	6974.00	6373.00	1.00	1.00	1.00	1.00	8037.00	7913.00	10570.00	12089.00	7907.00	9694.00	8689.00	8466.00	1.00	1.00	1.00	1.00
C41 H89 Cl N7 S	39802.00	31722.00	28587.00	27729.00	31724.00	33649.00	32980.00	32250.00	1.00	1.00	34590.00	35744.00	30025.00	33607.00	31091.00	30835.00	27140.00	29707.00	32656.00	32804.00	28692.00	29085.00	30068.00	24019.00
C16 H2 N O11 S2 Esi+0.8400001	37305.00	41726.00	34222.00	34080.00	37350.00	39979.00	36896.00	36243.00	8898.00	6871.00	34710.00	39292.00	38046.00	30541.00	32467.00	30479.00	30172.00	36482.00	36749.00	35874.00	33236.00	33467.00	29130.00	31232.00
C54 H89 N O13	23979.00	24192.00	26081.00	26263.00	28103.00	29495.00	29298.00	24624.00	25248.00	26135.00	25050.00	26173.00	27995.00	23032.00	20720.00	28111.00	28336.00	27496.00	26776.00	26884.00	28973.00	23338.00	24468.00	25511.00
C4 H2 N O8 S	22762.00	26958.00	35458.00	12237.00	27370.00	28318.00	35300.00	40231.00	14543.00	11465.00	40614.00	28385.00	35232.00	35331.00	16344.00	7292.00	33572.00	12367.00	33372.00	39009.00	15270.00	17242.00	23604.00	24062.00
Khellol glucoside Esi+0.8980002	220730.00	219931.00	272410.00	275273.00	204404.00	206694.00	207892.00	201218.00	16658.00	12721.00	166215.00	166809.00	194401.00	191526.00	210383.00	220836.00	235757.00	235244.00	143988.00	144120.00	197149.00	203482.00	123108.00	123067.00
Encecalin	18289.00	15911.00	20642.00	22395.00	15108.00	18349.00	21977.00	20082.00	17104.00	18352.00	15322.00	20686.00	20660.00	17426.00	17476.00	18554.00	17556.00	21474.00	18631.00	18884.00	17126.00	17186.00	16282.00	18452.00
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide	19920.00	23524.00	20891.00	22230.00	22098.00	23300.00	18409.00	14754.00	1.00	1.00	18398.00	23379.00	19055.00	23539.00	23185.00	22650.00	18481.00	21677.00	19873.00	20853.00	22028.00	26388.00	13055.00	13411.00
C23 H15 N2	25567.00	21390.00	11079.00	8370.00	15817.00	18586.00	10666.00	17526.00	1.00	1.00	1.00	1.00	9762.00	1.00	24947.00	21809.00	15553.00	18956.00	9495.00	13082.00	11453.00	18704.00	1.00	1.00
C28 H59 N28 O6	24941.00	23324.00	24202.00	23523.00	24167.00	25747.00	29406.00	25616.00	1.00	1.00	21194.00	22840.00	23725.00	21647.00	20604.00	23034.00	22893.00	20666.00	21516.00	17031.00	21778.00	22657.00	14170.00	17111.00
C44 H64 N17	23187.00	22962.00	27285.00	23633.00	18745.00	22378.00	22463.00	18920.00	20416.00	54496.00	23156.00	23690.00	19377.00	20282.00	32714.00	21102.00	19960.00	20693.00	24678.00	22572.00	21053.00	25780.00	20387.00	19773.00
C14 H6 N2 O3	18246.00	22765.00	21590.00	26541.00	19825.00	23189.00	21876.00	22930.00	16543.00	19345.00	19771.00	17818.00	14201.00	15683.00	22152.00	20953.00	26354.00	20993.00	19940.00	20082.00	23002.00	17557.00	21120.00	18646.00
C11 N O10 S2	17459.00	19169.00	16129.00	14175.00	21608.00	16182.00	16209.00	20815.00	1.00	1.00	17957.00	18929.00	16348.00	14385.00	15819.00	14380.00	19904.00	13650.00	20499.00	20288.00	22012.00	12430.00	15979.00	16089.00
C53 H93 N6 O2 S	16731.00	22845.00	21015.00	19070.00	21974.00	21787.00	20715.00	20065.00	1.00	1.00	24625.00	21501.00	21462.00	23565.00	18489.00	17284.00	19663.00	17172.00	21653.00	22145.00	19155.00	23464.00	19546.00	17095.00
C28 H53 N3 O3	25829.00	18453.00	21835.00	23495.00	24180.00	22333.00	19587.00	21888.00	19773.00	23073.00	17689.00	22241.00	21396.00	19775.00	23626.00	21025.00	22580.00	20110.00	19397.00	16777.00	25307.00	17463.00	17469.00	19011.00
C34 H28 N6 O3	24874.00	22540.00	19061.00	18541.00	21388.00	21604.00	13687.00	9349.00	25638.00	24716.00	10682.00	8852.00	10281.00	11048.00	8617.00	8459.00	15657.00	17147.00	7648.00	1.00	9650.00	9208.00	1.00	6890.00
Chivosazole D	18275.00	20000.00	19492.00	22414.00	20563.00	21587.00	19164.00	19076.00	1.00	1.00	20964.00	20487.00	19385.00	21762.00	20737.00	21482.00	21028.00	21294.00	17668.00	16189.00	20651.00	19589.00	11835.00	14016.00
C10 H6 N6 O4 S	23270.00	21826.00	10272.00	13634.00	21233.00	21431.00	19079.00	19838.00	1.00	1.00	17929.00	17852.00	19640.00	20555.00	10104.00	14144.00	15200.00	13568.00	23049.00	21618.00	15236.00	16866.00	16183.00	15064.00
24:2(5Z,9Z)	23471.00	25719.00	24988.00	23965.00	21920.00	21971.00	21691.00	25027.00	21653.00	21328.00	22949.00	21369.00	22287.00	19632.00	21341.00	21838.00	17205.00	22090.00	21499.00	20768.00	22000.00	23521.00	23553.00	22323.00
C11 H6 Cl3 O6 S4	20680.00	19680.00	19315.00	17741.00	19007.00	21076.00	17309.00	17581.00	19478.00	17378.00	16269.00	16920.00	17343.00	17204.00	21328.00	20488.00	23430.00	23631.00	19911.00	20175.00	21302.00	15825.00	18463.00	21855.00
C36 H79 N22 O11	20648.00	23216.00	21053.00	23780.00	22500.00	21719.00	20572.00	21115.00	1.00	1.00	21575.00	22198.00	20548.00	19151.00	17772.00	16513.00	17867.00	21005.00	24917.00	22838.00	19527.00	21220.00	18054.00	16941.00
C32 H41 N O S	21169.00	17075.00	12461.00	9527.00	15770.00	16604.00	26009.00	25369.00	17621.00	18218.00	10101.00	10523.00	18396.00	17393.00	12029.00	11862.00	17869.00	17312.00	12432.00	12539.00	15353.00	17062.00	16652.00	20394.00
C13 H30 N3 O2 Esi+12.207	19322.00	71970.00	62897.00	71967.00	68130.00	66845.00	65876.00	68385.00	61096.00	68385.00	75486.00	82929.00	63852.00	64001.00	58616.00	67628.00	66086.00	59916.00	67359.00	61490.00	62232.00	49365.00	53316.00	68619.00
Jervine Esi+5.8509984	35219.00	33895.00	31300.00	37811.00	38927.00	35052.00	35918.00	28604.00	28632.00	36544.00	26059.00	29250.00	31465.00	37310.00	27991.00	34254.00	33111.00	30001.00	26549.00	32827.00	33412.00	29783.00	29251.00	28838.00
C46 H85 N9	22479.00	18518.00	16242.00	29531.00	21499.00	20956.00	20765.00	24269.00	1.00	1.00	23151.00	22204.00	24224.00	26254.00	20873.00	19516.00	15672.00	19127.00	25831.00	25172.00	20318.00	21628.00	21539.00	15920.00
C39 H85 N20 O3	23539.00	19369.00	14969.00	18749.00	23194.00	17974.00	23518.00	24187.00	1.00	1.00	21774.00	22769.00	19711.00	20942.00	16223.00	17154.00	18308.00	17077.00	21163.00	20157.00	19440.00	18718.00	17818.00	15641.00
C17 H13 N2	11311.00	14564.00	16860.00	19225.00	13718.00	17245.00	12228.00	14420.00	1.00	1.00	8533.00	11621.00	15121.00	12479.00	18659.00	18217.00	16155.00	14552.00	12817.00	12142.00	19549.00	18190.00	7807.00	10714.00
C32 H69 N11 O S2 Esi+12.153002	44975.00	48032.00	49686.00	71094.00	56982.00	56062.00	52655.00	56757.00	48464.00	44890.00	56677.00	40238.00	48837.00	59862.00	53451.00	49828.00	41213.00	63751.00	75655.00	69533.00	50893.00	52259.00	49410.00	58714.00
Pyracarbolid	17859.00	19083.00	10327.00	11735.00	22686.00	20872.00	20101.00	19788.00	8816.00	1.00	13287.00	13103.00	14848.00	13139.00	6572.00	6308.00	9507.00	10044.00	25227.00	21656.00	10625.00	11978.00	20759.00	19787.00
Ser Ala Pro	20383.00	19753.00	20044.00	20516.00	19733.00	18821.00	19538.00	18702.00	17508.00	20851.00	16299.00	16313.00	16752.00	16451.00	16426.00	15054.00	17468.00	16967.00	14969.00	16274.00	15344.00	14896.00	13724.00	13916.00
C24 H41 N O13	21010.00	18282.00	20141.00	18847.00	19454.00	19347.00	17585.00	21724.00	18973.00	20237.00	18093.00	18395.00	18601.00	16520.00	17603.00	19824.00	17554.00	16405.00	17285.00	14982.00	17110.00	18239.00	15548.00	16362.00
C47 H45 N7 O	17884.00	18988.00	1.00	1.00	12761.00	11978.00	1.00	1.00	27503.00	25327.00	1.00	1.00	8321.00	7428.00	1.00	1.00	11945.00	10712.00	1.00	1.00	1.00	1.00	8358.00	8783.00
C24 H48 N2 O4 Esi+11.372998	22521.00	21072.00	17807.00	25489.00	19791.00	15002.00	20913.00	22272.00	18467.00	18543.00	22750.00	24656.00	19363.00	18465.00	18621.00	17569.00	18782.00	17203.00	20338.00	17935.00	18582.00	18152.00	17310.00	18093.00
4-[2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene]-2-hydroxy-2-pentenedioate	13488.00	12664.00	16281.00	16333.00	15089.00	15790.00	15857.00	15084.00	16326.00	13271.00	14236.00	14944.00	12948.00	15885.00	13868.00	14452.00	14304.00	13005.00	13249.00	12267.00	16314.00	12460.00	17200.00	13740.00
PS(20:0/12:0)	19049.00	18888.00	24199.00	24927.00	22342.00	22503.00	21778.00	20911.00	1.00	1.00	21447.00	22998.00	21664.00	20163.00	24283.00	23942.00	21887.00	24754.00	19148.00	18143.00	18993.00	21766.00	15331.00	14216.00
C17 H25 N5 O3	14521.00	16837.00	17298.00	14988.00	16602.00	17649.00	1.00	1.00	13465.00	18378.00	17454.00	16023.00	1.00	1.00	18402.00	14530.00	17428.00	19533.00	19022.00	12267.00	1.00	1.00	1.00	1.00
Lys Lys Trp	11124.00	16668.00	13819.00	15109.00	20919.00	21965.00	14922.00	9293.00	7844.00	10010.00	18484.00	10517.00	9118.00	15206.00	10426.00	10522.00	18879.00	16499.00	13069.00	8965.00	9141.00	10954.00	12106.00	9952.00
C9 H15 O4	30405.00	28274.00	15109.00	15508.00	28172.00	23789.00	20783.00	19481.00	20672.00	20363.00	27782.00	29166.00	14047.00	16476.00	10029.00	11858.00	18500.00	16492.00	16280.00	22964.00	11225.00	7968.00	16015.00	13253.00
C25 H5 Cl3 N4 O9 S3	24019.00	22629.00	22270.00	23588.00	23069.00	24861.00	26754.00	23394.00	1.00	1.00	26495.00	26862.00	24065.00	22880.00	20599.00	20810.00	22284.00	23270.00	24171.00	25501.00	23152.00	21787.00	20702.00	19873.00
C32 H18 N20 O4	30268.00	26712.00	23971.00	23203.00	25664.00	25422.00	22875.00	24557.00	25666.00	25813.00	24745.00	25409.00	25663.00	24267.00	23782.00	23573.00	23096.00	24653.00	22588.00	25451.00	23889.00	20329.00	25438.00	25445.00
L-Histidine Esi+0.8729998	155039.00	155523.00	153953.00	158006.00	126883.00	131551.00	119820.00	124685.00	108931.00	109986.00	97358.00	89095.00	147802.00	146435.00	154437.00	153167.00	143944.00	143435.00	133078.00	132800.00	140723.00	134084.00	137454.00	128937.00
alpha-D-Galactosyl-1,3-beta-D-galactosyl-1,4-N-acetyl-D-glucosamine	18018.00	18428.00	22558.00	24280.00	16803.00	16166.00	12058.00	11445.00	1.00	1.00	12966.00	10468.00	15635.00	17733.00	20514.00	18603.00	23377.00	22854.00	12043.00	13907.00	21772.00	20356.00	10146.00	11842.00
Terbinafine metabolite glucuronide	19456.00	19649.00	24078.00	19949.00	22055.00	21752.00	21509.00	20243.00	1.00	1.00	20938.00	20411.00	21393.00	21025.00	22480.00	21517.00	21444.00	21624.00	17710.00	19312.00	21699.00	19078.00	13970.00	14719.00
Ramifenazone	20889.00	13401.00	15528.00	15946.00	15396.00	17910.00	16476.00	15433.00	14347.00	14711.00	19204.00	13920.00	13891.00	21679.00	14998.00	11995.00	20467.00	16072.00	15284.00	13697.00	14337.00	12963.00	14122.00	13820.00
C30 H63 N O16	32565.00	21418.00	21574.00	22087.00	24125.00	24836.00	25255.00	28826.00	23558.00	28036.00	25797.00	23705.00	22157.00	23636.00	34809.00	29239.00	24812.00	25176.00	23188.00	22376.00	28204.00	22645.00	23159.00	28098.00
Bisindolylmaleimide I Esi+10.654003	18720.00	24850.00	1.00	13076.00	20354.00	20067.00	12743.00	1.00	21969.00	19450.00	13487.00	8292.00	15394.00	9591.00	10002.00	14634.00	20758.00	14081.00	1.00	1.00	13224.00	13486.00	7975.00	10035.00
2-Amino-3-methylimidazo[4,5-f]quinoline	11343.00	14032.00	17013.00	19464.00	11677.00	12032.00	13879.00	14936.00	8839.00	9602.00	9791.00	8763.00	9411.00	8716.00	12585.00	12051.00	12235.00	12680.00	13583.00	11954.00	15664.00	17405.00	13887.00	12268.00
C29 H63 N19 O16	17789.00	17706.00	17830.00	20070.00	19243.00	19451.00	16815.00	20197.00	1.00	1.00	19752.00	17962.00	17158.00	18722.00	16856.00	20516.00	18760.00	17748.00	14959.00	17106.00	18254.00	20230.00	12344.00	12539.00
C12 H4 Cl2 N O11 S5	18592.00	18471.00	16311.00	15225.00	17009.00	16103.00	18933.00	19327.00	5835.00	1.00	16835.00	19231.00	16009.00	16929.00	13009.00	17201.00	17367.00	14744.00	16503.00	19917.00	13499.00	14927.00	12984.00	14439.00
C24 H13 N11	20171.00	14505.00	19611.00	18733.00	24278.00	20074.00	20843.00	11127.00	18118.00	20501.00	19791.00	19815.00	28000.00	13654.00	19547.00	18482.00	20046.00	13234.00	12953.00	18713.00	18593.00	19162.00	17979.00	18668.00
C10 H14 N2 O5	14597.00	16520.00	12309.00	12697.00	9589.00	13128.00	1.00	1.00	1.00	1.00	10811.00	7389.00	7900.00	1.00	1.00	1.00	14837.00	10412.00	10434.00	9683.00	7847.00	1.00	1.00	9081.00
2-Oxo-4-methylthiobutanoic acid Esi+10.951001	16304.00	23211.00	17058.00	15388.00	18527.00	15913.00	17815.00	16057.00	19136.00	15873.00	20780.00	18287.00	14621.00	18150.00	19036.00	15886.00	15124.00	16775.00	17953.00	22521.00	14339.00	16743.00	16518.00	18373.00
Pro Asn	36711.00	34785.00	28715.00	28998.00	33529.00	26609.00	27358.00	24021.00	53335.00	60304.00	18311.00	21658.00	27842.00	28520.00	34014.00	34459.00	26782.00	28234.00	24329.00	23071.00	26059.00	31445.00	20480.00	16734.00
Spectinomycin	23272.00	12909.00	17959.00	16636.00	20803.00	26690.00	23468.00	16073.00	18508.00	16511.00	12138.00	20319.00	21227.00	17807.00	13475.00	18857.00	17092.00	18103.00	16979.00	21722.00	14677.00	12851.00	14086.00	13493.00
C39 H56 N3 O7	1.00	8258.00	20479.00	21714.00	12662.00	11778.00	7743.00	6785.00	1.00	1.00	1.00	1.00	1.00	1.00	7115.00	7320.00	16761.00	16924.00	1.00	1.00	12608.00	9148.00	1.00	1.00
C16 H2 O18 S	25456.00	20785.00	22017.00	22804.00	26999.00	21686.00	23786.00	22156.00	1.00	1.00	22720.00	21784.00	22131.00	21833.00	24747.00	22786.00	19109.00	19115.00	21628.00	23593.00	21634.00	20660.00	10719.00	14126.00
Val Asp	9150.00	8072.00	19129.00	19041.00	19493.00	20357.00	22446.00	23705.00	1.00	1.00	10636.00	8436.00	24530.00	23270.00	22060.00	27178.00	27931.00	25642.00	13345.00	14323.00	22253.00	22220.00	10814.00	12053.00
C45 H85 N25 O	21295.00	20954.00	20061.00	19364.00	23116.00	21162.00	23967.00	25879.00	20283.00	20366.00	20531.00	23266.00	18124.00	22234.00	23490.00	23866.00	23224.00	21508.00	16129.00	20846.00	21408.00	25103.00	20744.00	17729.00
C31 H63 N12 O	20649.00	21426.00	16078.00	18016.00	15980.00	13682.00	14566.00	14376.00	1.00	1.00	14932.00	14917.00	14891.00	15828.00	20599.00	18899.00	17535.00	18984.00	12005.00	13839.00	16130.00	16366.00	13868.00	13451.00
C25 H4 Cl2 O12 S4	22651.00	20861.00	17874.00	18588.00	19962.00	19769.00	24501.00	21231.00	1.00	1.00	16621.00	20421.00	17881.00	17591.00	17651.00	17528.00	16870.00	17094.00	18629.00	18187.00	20637.00	19216.00	14798.00	16343.00
C39 H79 N8 O10 Esi+12.304996	37813.00	33221.00	24846.00	20494.00	46840.00	51094.00	28999.00	24900.00	46667.00	44014.00	28817.00	32703.00	26913.00	33141.00	43368.00	39224.00	40682.00	41380.00	33294.00	32106.00	30481.00	30162.00	32276.00	29388.00
C30 H49 N22	22873.00	22806.00	22149.00	26326.00	23014.00	23790.00	23905.00	23367.00	22085.00	19540.00	24011.00	24978.00	21506.00	24156.00	20545.00	23212.00	24159.00	21687.00	21377.00	19474.00	24217.00	22325.00	21428.00	19363.00
C34 H24 N24 O	23087.00	22074.00	20509.00	25195.00	23605.00	22287.00	22387.00	21141.00	27858.00	27388.00	20838.00	19756.00	23525.00	22804.00	25145.00	26657.00	24241.00	23418.00	22144.00	23245.00	24928.00	26587.00	27830.00	31273.00
Melezitose	45563.00	40898.00	19331.00	1.00	39831.00	38097.00	1.00	1.00	44894.00	28313.00	17092.00	1.00	19416.00	16826.00	17366.00	17279.00	26610.00	24300.00	1.00	1.00	19297.00	18481.00	1.00	1.00
C24 H29 N12 O3	22338.00	21446.00	20753.00	20299.00	20669.00	17905.00	22435.00	21015.00	16806.00	19240.00	18745.00	17198.00	18956.00	16558.00	21081.00	21378.00	20008.00	18991.00	19395.00	20343.00	21013.00	19502.00	15527.00	20980.00
C33 H32	42078.00	38983.00	31924.00	24755.00	23089.00	25656.00	14915.00	35483.00	25145.00	34834.00	30088.00	25170.00	23555.00	33003.00	21503.00	33015.00	52426.00	33409.00	29054.00	40935.00	24682.00	30088.00	36248.00	34261.00
C36 H79 N22 O11 Esi+0.84199977	26039.00	25560.00	21477.00	23925.00	23348.00	27680.00	22481.00	24310.00	1.00	1.00	22016.00	25021.00	25892.00	23550.00	23177.00	21279.00	24938.00	21348.00	26853.00	25777.00	19991.00	21155.00	22251.00	16337.00
C21 H41 N12 O13	25431.00	26447.00	24997.00	23400.00	24381.00	21625.00	23720.00	22226.00	25356.00	24490.00	26637.00	23521.00	25134.00	23463.00	20548.00	22486.00	25660.00	24409.00	25578.00	26257.00	24823.00	25665.00	23516.00	24208.00
C25 H3 N S2	1.00	1.00	1.00	1.00	8758.00	10733.00	8615.00	8408.00	1.00	1.00	6985.00	6933.00	6291.00	8314.00	22701.00	22501.00	9013.00	9127.00	11511.00	10649.00	7249.00	7400.00	1.00	1.00
C11 H21 N3	30948.00	22279.00	25194.00	19443.00	28661.00	23661.00	26229.00	27422.00	22344.00	23665.00	28783.00	28626.00	28111.00	31388.00	22728.00	25772.00	31193.00	22168.00	32382.00	30035.00	28654.00	23306.00	28023.00	27040.00
N-Acetyl-4-O-acetylneuraminic acid	24167.00	24756.00	21224.00	18206.00	16354.00	19066.00	18135.00	16740.00	1.00	1.00	16645.00	19636.00	19950.00	21363.00	22135.00	22529.00	16421.00	15463.00	15517.00	14330.00	18253.00	16384.00	8060.00	10483.00
C9 H N2 O10 S	13126.00	15383.00	1.00	1.00	17487.00	17521.00	20868.00	20914.00	19272.00	20909.00	19743.00	19492.00	19474.00	22907.00	7374.00	6826.00	1.00	1.00	28352.00	29264.00	12043.00	11133.00	26500.00	21236.00
Steroid O-sulfate	20869.00	20033.00	15407.00	17215.00	18083.00	17577.00	19976.00	18548.00	20847.00	22586.00	15583.00	19523.00	15888.00	19060.00	18965.00	16847.00	18031.00	19881.00	20544.00	20679.00	17599.00	21402.00	19294.00	18686.00
C28 H29 N4 O11	18533.00	20660.00	19510.00	19568.00	19633.00	21139.00	15733.00	17548.00	21245.00	20521.00	21286.00	17952.00	20613.00	20082.00	20705.00	18802.00	17446.00	19883.00	18617.00	20519.00	18928.00	21908.00	23539.00	27005.00
Castillene B	17969.00	14465.00	13444.00	14768.00	17327.00	18295.00	20028.00	19148.00	17961.00	15120.00	20819.00	17566.00	17258.00	14242.00	22933.00	19287.00	22653.00	21403.00	15473.00	14988.00	15137.00	13154.00	11604.00	16367.00
C33 H55 N2 S Esi+12.445004 :2	82823.00	88705.00	75747.00	50376.00	99368.00	102870.00	71706.00	72218.00	93829.00	100372.00	70379.00	49264.00	81132.00	78006.00	55582.00	73032.00	76928.00	80842.00	73728.00	73815.00	70648.00	83188.00	76901.00	53978.00
C23 H19 N8	19140.00	19174.00	22771.00	22434.00	16219.00	16365.00	19726.00	18747.00	1.00	1.00	21378.00	18682.00	16196.00	14866.00	18941.00	20331.00	20702.00	21335.00	18099.00	16422.00	18408.00	20510.00	10323.00	10900.00
C29 H49 N12	1.00	1.00	1.00	1.00	13539.00	10661.00	1.00	1.00	1.00	1.00	15629.00	17515.00	1.00	1.00	21147.00	24180.00	1.00	1.00	8200.00	9059.00	1.00	1.00	1.00	1.00
C15 H20 N7 O11	18805.00	21579.00	20133.00	16808.00	16647.00	22756.00	19839.00	21712.00	19841.00	14511.00	18692.00	16162.00	14052.00	16281.00	20199.00	16944.00	17188.00	18065.00	18458.00	17905.00	20896.00	16078.00	20040.00	19671.00
14-Hydroxy-6-O-methylerythromycin A	21056.00	22537.00	21684.00	20571.00	21169.00	23365.00	23194.00	22341.00	18926.00	22624.00	24459.00	18677.00	19905.00	23836.00	22967.00	19753.00	21075.00	15831.00	21840.00	19691.00	23078.00	23999.00	15989.00	19735.00
Halaminol A	22041.00	24442.00	23003.00	21491.00	17596.00	21275.00	18112.00	15806.00	27017.00	25335.00	26564.00	19942.00	21332.00	25688.00	16577.00	22370.00	18691.00	22055.00	17932.00	18873.00	29669.00	24268.00	17490.00	20609.00
C7 H2 O7 S2	18311.00	19443.00	12888.00	14228.00	21753.00	22067.00	19980.00	18268.00	1.00	1.00	17345.00	19000.00	22457.00	19395.00	14987.00	16395.00	16309.00	16665.00	20217.00	18585.00	18337.00	20624.00	11773.00	13328.00
C32 H40 N10 O2	20758.00	18547.00	22872.00	19770.00	22248.00	21144.00	18517.00	23086.00	21186.00	19708.00	20922.00	21503.00	21280.00	25138.00	19108.00	22656.00	19424.00	19315.00	25999.00	18734.00	22204.00	24290.00	22963.00	25925.00
C38 H85 N18 O9	16176.00	18207.00	17570.00	18567.00	17604.00	17859.00	19054.00	18313.00	1.00	1.00	18940.00	19647.00	19437.00	16507.00	14161.00	14001.00	15899.00	18363.00	15244.00	18922.00	17366.00	19896.00	14113.00	16470.00
C17 H N O11 S3	13587.00	15413.00	12452.00	12468.00	16239.00	13304.00	20965.00	17004.00	24615.00	16533.00	17905.00	1.00	17436.00	16812.00	15930.00	17898.00	25324.00	24173.00	16122.00	15961.00	20182.00	19510.00	13784.00	11634.00
C30 H67 N13 O16	16846.00	19120.00	18780.00	19089.00	17751.00	19895.00	18131.00	18834.00	1.00	1.00	19713.00	17092.00	18093.00	16762.00	19401.00	19410.00	19827.00	18176.00	17145.00	16296.00	18984.00	19144.00	12122.00	13172.00
C17 H4 N5 O3	1.00	1.00	22080.00	18404.00	14291.00	12156.00	18222.00	20163.00	9256.00	9641.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	7394.00	9874.00	1.00	1.00	1.00	1.00
Glu Glu Gln	20564.00	21559.00	16061.00	19669.00	19562.00	20501.00	13062.00	13208.00	19919.00	19069.00	17322.00	14220.00	17217.00	16697.00	17416.00	16047.00	18629.00	21522.00	15425.00	13802.00	15773.00	16330.00	15703.00	15442.00
C14 H20 N6 O4	1.00	1.00	12942.00	14373.00	13770.00	11925.00	11439.00	11250.00	1.00	1.00	1.00	1.00	8839.00	11866.00	16099.00	17931.00	20503.00	22347.00	11969.00	11183.00	18958.00	20853.00	14690.00	10962.00
C23 H30 N2 O2	12239.00	5905.00	6455.00	1.00	7624.00	11708.00	6408.00	10865.00	7757.00	13135.00	14389.00	12272.00	5757.00	1.00	10920.00	10644.00	15375.00	10971.00	8129.00	8409.00	13072.00	11208.00	16451.00	15451.00
C16 H18 N6 O S Esi+10.031003	30541.00	30827.00	21016.00	31208.00	26656.00	24784.00	28942.00	25826.00	28558.00	25880.00	29213.00	23504.00	26971.00	24675.00	27447.00	28818.00	26346.00	23889.00	27739.00	29123.00	25627.00	22154.00	23996.00	23406.00
Benalaxyl	16296.00	22240.00	18989.00	19153.00	19457.00	19026.00	17284.00	18365.00	15218.00	25968.00	16548.00	19509.00	16699.00	20812.00	15982.00	19568.00	18860.00	20380.00	21165.00	16272.00	16851.00	20194.00	15019.00	18316.00
C16 H10 N3 O2	13894.00	14183.00	9994.00	10730.00	13082.00	12237.00	12247.00	11719.00	12507.00	12354.00	16904.00	15738.00	9979.00	11376.00	12520.00	11805.00	10335.00	10842.00	17078.00	17924.00	12112.00	12326.00	11543.00	11327.00
C21 Cl2 N2 O19 S3 Esi+0.8409997	43866.00	46121.00	37568.00	44515.00	42003.00	44792.00	37615.00	40998.00	5948.00	1.00	47291.00	45230.00	45636.00	40653.00	37628.00	37958.00	43440.00	38564.00	48301.00	41547.00	39557.00	43751.00	34735.00	35408.00
C30 H42 N13 O5	27177.00	27736.00	25345.00	27180.00	23251.00	25236.00	28376.00	24295.00	21524.00	21776.00	24894.00	22971.00	24381.00	21829.00	29507.00	22031.00	26086.00	23641.00	23642.00	21595.00	20912.00	20806.00	20886.00	27796.00
C37 H57 N5 O S	30697.00	33335.00	38375.00	24894.00	23859.00	49460.00	37801.00	24159.00	28239.00	31310.00	25696.00	48026.00	19782.00	37663.00	126635.00	45088.00	56170.00	42738.00	56398.00	47404.00	28621.00	40240.00	44479.00	46692.00
C34 H61 N8 O12	22291.00	17133.00	20376.00	18834.00	19885.00	17688.00	17334.00	18173.00	18153.00	16653.00	18908.00	18508.00	16975.00	17766.00	24568.00	19821.00	19487.00	15916.00	17924.00	17364.00	18468.00	19646.00	21986.00	18933.00
C5 N2 O6 S3	50433.00	52723.00	32380.00	28847.00	39975.00	41963.00	42676.00	43150.00	18170.00	17554.00	39725.00	34635.00	36661.00	34684.00	29222.00	20384.00	25175.00	22664.00	40123.00	44252.00	26097.00	24492.00	29666.00	35650.00
R-Palmitoyl-(2-methyl) Ethanolamide	24050.00	27765.00	33209.00	23689.00	25351.00	27073.00	24630.00	29004.00	29220.00	30116.00	24887.00	27371.00	30245.00	24244.00	28154.00	32055.00	30260.00	31233.00	29922.00	20289.00	28812.00	21137.00	18049.00	19821.00
C16 H6 N8 O7	20241.00	17106.00	14795.00	13598.00	15316.00	16721.00	17736.00	19758.00	8080.00	8639.00	15316.00	15888.00	13654.00	15235.00	10703.00	11556.00	7541.00	11977.00	17163.00	16256.00	11302.00	10474.00	9322.00	9290.00
O6-Methyl-2'-deoxyguanosine Esi+0.9319998	20383.00	21875.00	10983.00	15260.00	16089.00	16380.00	20459.00	19608.00	1.00	1.00	15574.00	18705.00	15399.00	18047.00	19114.00	22757.00	20130.00	19126.00	19995.00	16541.00	20903.00	23368.00	14645.00	14055.00
C35 H55 N15	30191.00	28386.00	29821.00	29958.00	28356.00	33073.00	26675.00	26517.00	26861.00	31497.00	34811.00	34583.00	30370.00	31549.00	28522.00	24396.00	29751.00	45231.00	24076.00	28074.00	33371.00	35824.00	23118.00	28521.00
C21 H45 N4	16721.00	20168.00	22050.00	19164.00	18690.00	19926.00	18532.00	22379.00	18740.00	17367.00	17031.00	19257.00	14895.00	19007.00	20188.00	19006.00	19343.00	16758.00	18230.00	14106.00	16694.00	16483.00	16912.00	14762.00
C39 H57 N16	26826.00	22695.00	21021.00	20947.00	23712.00	38350.00	23663.00	29202.00	21247.00	19775.00	22823.00	20750.00	30350.00	16916.00	19324.00	19874.00	28399.00	20400.00	19824.00	24505.00	27959.00	21668.00	24008.00	19563.00
C16 H10 N O2 S	12709.00	11800.00	16028.00	11510.00	17886.00	11580.00	13286.00	12133.00	16418.00	13262.00	14911.00	13403.00	15033.00	10716.00	15358.00	11977.00	13033.00	11621.00	12218.00	13198.00	14620.00	12714.00	21847.00	10109.00
C13 H5 Cl N3 O12 S4 Esi+0.8409997	47337.00	42025.00	41723.00	42321.00	44762.00	42316.00	44363.00	44129.00	6649.00	6872.00	45959.00	46257.00	41589.00	42532.00	39254.00	39427.00	40727.00	39356.00	40188.00	48736.00	44085.00	45997.00	37521.00	40454.00
C55 H73 N13	23518.00	22038.00	22224.00	20514.00	23637.00	23979.00	25796.00	21936.00	19663.00	19836.00	19520.00	20912.00	27167.00	20798.00	20593.00	25454.00	21917.00	24168.00	21312.00	26283.00	19560.00	23940.00	18692.00	22734.00
C23 H3 Cl3 O10 S5	28239.00	26427.00	21755.00	25149.00	23066.00	21751.00	20464.00	23874.00	1.00	1.00	32266.00	25021.00	22406.00	27465.00	20742.00	25032.00	22841.00	19870.00	24177.00	33341.00	24571.00	26268.00	21236.00	19637.00
C22 H50 N8 O	21919.00	16251.00	19945.00	16550.00	15901.00	16946.00	22463.00	23253.00	16581.00	21789.00	17317.00	18738.00	22330.00	16793.00	19250.00	17334.00	20705.00	21230.00	19114.00	15772.00	20770.00	19191.00	18059.00	18186.00
Trp Tyr Met	19493.00	16290.00	6074.00	1.00	9806.00	11810.00	1.00	1.00	1.00	1.00	5775.00	5960.00	7703.00	8449.00	1.00	1.00	1.00	1.00	1.00	1.00	6267.00	6798.00	1.00	1.00
Psoralen	14404.00	17272.00	20764.00	20851.00	15076.00	16203.00	16202.00	13103.00	1.00	1.00	17639.00	11483.00	16037.00	15117.00	22514.00	19268.00	25784.00	16128.00	19844.00	15883.00	19853.00	18040.00	11939.00	13170.00
Neoglabrescin A	17508.00	16480.00	20300.00	20040.00	18826.00	19519.00	19330.00	20366.00	1.00	1.00	17707.00	18062.00	18852.00	16904.00	20536.00	19653.00	22255.00	20064.00	16001.00	17780.00	18664.00	20824.00	13306.00	12266.00
C10 H16 N3 O11 S	22507.00	22319.00	18160.00	19392.00	18126.00	21005.00	22695.00	20270.00	17574.00	19880.00	17279.00	18395.00	16205.00	17682.00	18072.00	20498.00	18642.00	16924.00	19441.00	22273.00	19682.00	17820.00	17312.00	17324.00
NS-5	20781.00	22901.00	25457.00	18766.00	17301.00	23005.00	22843.00	25263.00	18950.00	23787.00	17268.00	26345.00	24012.00	27656.00	27177.00	18450.00	24372.00	22773.00	21756.00	21016.00	22455.00	21342.00	19428.00	21629.00
rhodexin A	28217.00	24443.00	25928.00	20629.00	22244.00	20929.00	30418.00	26787.00	29244.00	28116.00	30983.00	25205.00	30189.00	23302.00	21248.00	24534.00	25820.00	22577.00	23409.00	22307.00	20450.00	23048.00	21971.00	27352.00
L-Lyxonate	15130.00	12951.00	17727.00	11601.00	16887.00	13226.00	14154.00	12678.00	14491.00	12325.00	15344.00	14154.00	15076.00	9788.00	17910.00	12619.00	11817.00	12085.00	13973.00	11745.00	16030.00	12045.00	22502.00	12221.00
C13 H8 N2 O	14978.00	15566.00	11523.00	11808.00	12753.00	13675.00	11608.00	10833.00	10715.00	11698.00	9768.00	8789.00	11480.00	11612.00	8551.00	13695.00	12224.00	11071.00	18291.00	17167.00	7407.00	1.00	7583.00	7196.00
C11 H14 N O5	19372.00	14471.00	22328.00	18119.00	23465.00	22998.00	19099.00	15891.00	1.00	1.00	11998.00	12047.00	13758.00	15574.00	15622.00	16143.00	14120.00	13773.00	16071.00	16943.00	15401.00	16233.00	15079.00	9726.00
C18 O19 S2	26176.00	28252.00	28120.00	26450.00	27849.00	24587.00	25258.00	27223.00	23081.00	23227.00	28493.00	29045.00	26537.00	24498.00	25575.00	28706.00	24956.00	28314.00	25219.00	25459.00	25119.00	26539.00	25004.00	28213.00
C28 H49 N12 O	23132.00	15440.00	11839.00	11440.00	8380.00	13497.00	9915.00	1.00	8998.00	18632.00	15402.00	10837.00	1.00	1.00	9455.00	22219.00	11034.00	10241.00	1.00	16900.00	11765.00	1.00	25304.00	26081.00
C18 N O19 S	36624.00	35513.00	35800.00	36229.00	34826.00	36941.00	36880.00	33881.00	9287.00	7682.00	36649.00	33252.00	32089.00	33392.00	27898.00	31074.00	31746.00	27530.00	34723.00	33770.00	33704.00	30452.00	27419.00	27016.00
C17 H35 N O4	13456.00	14897.00	19585.00	18246.00	10847.00	11193.00	14085.00	15407.00	1.00	1.00	8788.00	8570.00	1.00	1.00	16551.00	14138.00	13594.00	11178.00	9746.00	11557.00	13999.00	16031.00	9044.00	11043.00
C30 H63 N14 O19	13283.00	13265.00	15546.00	17369.00	17429.00	16258.00	15753.00	15179.00	1.00	1.00	17072.00	15049.00	15609.00	15248.00	15732.00	14778.00	15654.00	20128.00	13495.00	12115.00	16019.00	16821.00	10130.00	12171.00
C4 H9 N S	22230.00	20554.00	22306.00	18404.00	16884.00	16878.00	11684.00	9679.00	1.00	1.00	16716.00	17298.00	15825.00	14233.00	26220.00	22280.00	15382.00	15919.00	16077.00	19460.00	18400.00	19130.00	14651.00	13852.00
C16 H13 N6	70697.00	64835.00	43470.00	44691.00	51347.00	54111.00	51651.00	51358.00	11683.00	11459.00	39564.00	36542.00	48894.00	45302.00	64604.00	62470.00	80678.00	78349.00	48251.00	46751.00	54308.00	54165.00	36688.00	30970.00
C34 H39 N8 O	20331.00	21588.00	14288.00	12948.00	19430.00	19122.00	9876.00	11191.00	19133.00	19378.00	9596.00	8985.00	12809.00	8892.00	1.00	9406.00	14050.00	14862.00	8291.00	1.00	10828.00	10455.00	1.00	1.00
C41 H38	13025.00	14442.00	8263.00	1.00	9934.00	11159.00	23210.00	20745.00	14084.00	12650.00	7602.00	1.00	12449.00	13146.00	12311.00	8358.00	13802.00	10083.00	10785.00	7274.00	11437.00	10925.00	11708.00	11261.00
C8 H2 N3 O5 S	26692.00	21798.00	18494.00	11824.00	22026.00	27435.00	23608.00	25381.00	1.00	1.00	27560.00	24160.00	23648.00	20932.00	13749.00	15262.00	19752.00	15422.00	22299.00	26654.00	19021.00	17163.00	18051.00	22431.00
Hymexazol N-glucoside	8506.00	8705.00	17379.00	12422.00	16738.00	16918.00	14214.00	11306.00	13586.00	14700.00	1.00	1.00	12424.00	12736.00	17022.00	18281.00	11702.00	14622.00	11236.00	9921.00	20809.00	21199.00	7941.00	16670.00
C10 H6 N O14	22549.00	16920.00	16082.00	18406.00	17636.00	21854.00	17182.00	18282.00	1.00	1.00	20196.00	21789.00	19791.00	16948.00	16722.00	15802.00	16380.00	19958.00	14584.00	16982.00	16782.00	17995.00	12718.00	12553.00
DAF-2 diacetate	13853.00	12603.00	16222.00	13555.00	16100.00	11827.00	16113.00	12363.00	16163.00	13939.00	16719.00	13058.00	14847.00	12593.00	17299.00	13365.00	14863.00	12040.00	13325.00	12349.00	15882.00	10393.00	22999.00	11718.00
C27 H4 O18	19182.00	19242.00	13277.00	14538.00	15595.00	15586.00	17070.00	16889.00	1.00	1.00	12815.00	13869.00	14710.00	12502.00	15929.00	15163.00	14518.00	14571.00	12593.00	12806.00	14555.00	14093.00	1.00	1.00
C13 H2 N O9 S2	59349.00	61997.00	55490.00	57884.00	62931.00	63640.00	59625.00	59939.00	6243.00	1.00	55214.00	53975.00	56308.00	55232.00	52791.00	58787.00	59602.00	58439.00	49726.00	53696.00	55662.00	56712.00	35253.00	36568.00
Dihomomethionine	11957.00	19669.00	7812.00	10851.00	10825.00	11675.00	11016.00	15937.00	1.00	1.00	16472.00	18811.00	14745.00	20554.00	17720.00	17194.00	1.00	1.00	9609.00	8895.00	1.00	9084.00	13080.00	15495.00
C29 H55 N13 O3 S	21934.00	26104.00	19436.00	16120.00	11042.00	7712.00	1.00	1.00	13377.00	21458.00	10192.00	8988.00	14110.00	12215.00	11270.00	8150.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
n-Pentadecylamine	16883.00	18539.00	16218.00	18385.00	19173.00	16161.00	22863.00	16213.00	35231.00	21066.00	22562.00	22165.00	14338.00	25075.00	23427.00	21402.00	21951.00	18554.00	18730.00	17566.00	26829.00	20652.00	29667.00	22841.00
8-Prenyllepidissipyrone	14729.00	15342.00	19425.00	17617.00	17744.00	17683.00	17715.00	18229.00	1.00	1.00	19165.00	16419.00	20292.00	17823.00	18017.00	17298.00	17753.00	18215.00	15355.00	15846.00	16939.00	18134.00	12232.00	11703.00
C15 H13 N5 O	1.00	1.00	1.00	1.00	13174.00	12066.00	1.00	1.00	1.00	1.00	1.00	1.00	13195.00	13440.00	21082.00	21588.00	12056.00	14166.00	1.00	1.00	15236.00	13010.00	1.00	1.00
Hexylamine	16298.00	16696.00	14219.00	15726.00	10069.00	12942.00	17634.00	14758.00	18840.00	20476.00	11466.00	13081.00	8893.00	11353.00	12954.00	12361.00	12473.00	12301.00	12440.00	10738.00	17190.00	16518.00	14691.00	14181.00
C26 H41 N13 O S	14669.00	18471.00	11242.00	9560.00	14034.00	13648.00	20765.00	20467.00	14328.00	14794.00	10003.00	10121.00	14233.00	13857.00	11735.00	13336.00	16459.00	16692.00	13967.00	10702.00	14057.00	15830.00	13710.00	14957.00
C32 H25 N7 O27	21462.00	19101.00	21158.00	24472.00	19122.00	23188.00	23021.00	20310.00	23215.00	23373.00	20105.00	21583.00	17309.00	17811.00	18825.00	23224.00	21118.00	19662.00	23264.00	19376.00	20654.00	21085.00	21248.00	20226.00
C32 H57 N8 O11	18708.00	19221.00	16819.00	15616.00	19191.00	18297.00	15868.00	18318.00	19847.00	16818.00	19229.00	18210.00	20816.00	18140.00	22134.00	22740.00	18999.00	18386.00	18991.00	20140.00	18080.00	18717.00	19603.00	19553.00
N-methyl-Gabapentin	14121.00	11166.00	1.00	6389.00	11816.00	12387.00	1.00	1.00	1.00	1.00	24309.00	11245.00	1.00	1.00	1.00	1.00	12074.00	15297.00	20002.00	21921.00	1.00	1.00	1.00	1.00
C12 H16 N10 O4 S	16945.00	20124.00	19311.00	18743.00	20924.00	19482.00	17794.00	17418.00	22798.00	18901.00	22307.00	14968.00	15019.00	13092.00	17340.00	18006.00	19347.00	15925.00	17937.00	13993.00	15755.00	21315.00	15473.00	20769.00
C41 H21 N5 O2 Esi+10.953999	432317.00	466285.00	1.00	1.00	49172.00	58551.00	40489.00	44885.00	1.00	1.00	1.00	1.00	144643.00	109785.00	232810.00	264858.00	104902.00	112190.00	36135.00	36132.00	40728.00	45051.00	69218.00	76722.00
C9 H16 N2 O7 S	17792.00	15130.00	17281.00	20306.00	13198.00	12799.00	14957.00	15241.00	9983.00	9940.00	9295.00	9933.00	9039.00	9189.00	11330.00	12761.00	13881.00	14652.00	12673.00	14059.00	15778.00	17320.00	15222.00	14976.00
C18 H Cl3 O18 S3	27512.00	20204.00	18260.00	20268.00	26994.00	19601.00	27202.00	14597.00	1.00	7167.00	21104.00	19526.00	25311.00	17618.00	18607.00	18569.00	21210.00	17095.00	21398.00	18829.00	17809.00	19586.00	17154.00	14082.00
C21 H43 N2 O10	14365.00	14496.00	11555.00	10693.00	12421.00	13272.00	10916.00	13385.00	11735.00	10843.00	15239.00	10876.00	9773.00	14812.00	16827.00	14052.00	11606.00	12479.00	9736.00	11370.00	12581.00	10541.00	13242.00	9900.00
C22 H2 N O21 S	18491.00	18283.00	17726.00	18058.00	21926.00	20149.00	18806.00	15917.00	1.00	1.00	19670.00	16808.00	16616.00	15709.00	17121.00	14138.00	16205.00	17542.00	18056.00	18257.00	19065.00	16844.00	14177.00	12459.00
C25 H45 N2 O2 S3	21644.00	23100.00	15461.00	1.00	24384.00	21951.00	1.00	1.00	23552.00	28163.00	1.00	15264.00	16181.00	15690.00	15264.00	13226.00	19541.00	17559.00	14190.00	11873.00	12907.00	14227.00	13674.00	9280.00
C9 H2 N O4 S2	20514.00	20529.00	11740.00	13565.00	19422.00	24182.00	20879.00	24456.00	1.00	1.00	26543.00	18206.00	15428.00	17944.00	1.00	12333.00	16346.00	14467.00	22995.00	25922.00	12871.00	14466.00	17473.00	16443.00
C23 H45 N27 O	16817.00	13401.00	16655.00	15290.00	17314.00	13432.00	13680.00	11562.00	11442.00	10349.00	16409.00	9496.00	12424.00	10427.00	20858.00	15646.00	12073.00	12668.00	12736.00	12798.00	1.00	16480.00	14534.00	10938.00
5-?-Hydroxybutyl Hydantoin	31096.00	6682.00	14353.00	15041.00	16436.00	13042.00	12096.00	10318.00	9289.00	1.00	8080.00	7865.00	14863.00	12373.00	12943.00	18673.00	15766.00	14446.00	13830.00	12517.00	12571.00	13099.00	9561.00	7955.00
C25 H4 O	23848.00	19811.00	18829.00	24192.00	17632.00	19829.00	16547.00	17323.00	1.00	1.00	21848.00	14793.00	21994.00	14964.00	22093.00	19424.00	20336.00	21336.00	21838.00	15838.00	20465.00	20405.00	16177.00	10778.00
trans-2-Enoyl-OPC6-CoA	13432.00	13509.00	20952.00	19294.00	16512.00	15397.00	17427.00	15719.00	1.00	1.00	17295.00	16533.00	17604.00	15786.00	19038.00	21966.00	19418.00	21256.00	14538.00	14795.00	16734.00	18108.00	11950.00	12154.00
C30 H40 N23 O	15119.00	15770.00	1.00	1.00	10004.00	10420.00	1.00	1.00	20449.00	19454.00	1.00	1.00	1.00	5644.00	1.00	1.00	9641.00	8219.00	1.00	1.00	1.00	1.00	6786.00	7696.00
C16 Cl3 N3 O12 S5	15135.00	15212.00	13890.00	14388.00	15204.00	12037.00	15646.00	13179.00	13492.00	21518.00	13938.00	12676.00	15242.00	13721.00	15052.00	17423.00	14806.00	14736.00	13717.00	12641.00	16801.00	18266.00	20426.00	17738.00
C12 H21 N8 O6	18952.00	16505.00	17366.00	15951.00	17307.00	16435.00	17377.00	19502.00	21309.00	18340.00	16924.00	17100.00	16370.00	14600.00	17080.00	13433.00	16772.00	18156.00	19396.00	17557.00	16202.00	17777.00	16961.00	15782.00
Diphenylphosphine isopropyl ester	19794.00	22242.00	13236.00	13754.00	17503.00	17122.00	8924.00	9716.00	1.00	1.00	1.00	1.00	15140.00	13175.00	18280.00	18770.00	9546.00	11094.00	1.00	7624.00	8966.00	6931.00	1.00	1.00
C13 H2 N2 O14 S	20601.00	21203.00	20378.00	21043.00	19845.00	21471.00	16627.00	20403.00	1.00	1.00	18947.00	21370.00	17404.00	18286.00	16775.00	19381.00	20585.00	18576.00	21171.00	16692.00	18928.00	21268.00	9387.00	12103.00
C27 H31 N19 O	21044.00	19658.00	18931.00	18583.00	17453.00	17144.00	17373.00	17115.00	17613.00	20225.00	18832.00	19756.00	19069.00	17755.00	15730.00	18875.00	16380.00	18498.00	17307.00	15039.00	17596.00	19941.00	15506.00	16566.00
CoA(24:6(6Z,9Z,12Z,15Z,18Z,21Z)(3OH))	12807.00	15457.00	17266.00	18255.00	17246.00	15552.00	16399.00	17771.00	1.00	1.00	15013.00	16198.00	15530.00	17146.00	14734.00	14529.00	17912.00	17090.00	15041.00	16591.00	17932.00	17464.00	10419.00	11351.00
Zierin	17960.00	16680.00	9492.00	8992.00	12013.00	15049.00	13664.00	14831.00	10488.00	9856.00	14999.00	12349.00	13219.00	13045.00	1.00	7614.00	7050.00	8058.00	13272.00	15706.00	8990.00	7031.00	14240.00	11978.00
Pro Lys Gln	18537.00	16447.00	15232.00	16490.00	17382.00	15702.00	14914.00	13232.00	17046.00	17938.00	16001.00	15132.00	15135.00	15863.00	15386.00	17436.00	15113.00	15610.00	17922.00	18132.00	16022.00	12694.00	15372.00	15017.00
C44 H22 N4 O4	19919.00	21107.00	19489.00	24134.00	24028.00	22322.00	19894.00	22387.00	18940.00	20896.00	18742.00	22768.00	20377.00	21976.00	18923.00	21066.00	19304.00	20627.00	18819.00	22008.00	19861.00	18772.00	18640.00	19518.00
C19 H2 N O13	18946.00	16598.00	15856.00	15856.00	18059.00	18653.00	16107.00	15189.00	1.00	1.00	17807.00	16813.00	15854.00	16243.00	14223.00	14556.00	14246.00	14194.00	15366.00	17067.00	16422.00	16627.00	7680.00	9605.00
C19 H5 N4 O16 S Esi+14.451997	56078.00	67686.00	67797.00	63995.00	66478.00	60288.00	65052.00	58914.00	68433.00	65081.00	68893.00	67224.00	67011.00	60258.00	72261.00	70361.00	65282.00	68886.00	66312.00	53195.00	61480.00	64878.00	71632.00	62357.00
C43 H75 N2 O4 S Esi+13.178	31970.00	19376.00	17102.00	22704.00	25451.00	19821.00	10717.00	82463.00	27964.00	31495.00	22463.00	24948.00	13174.00	10353.00	60103.00	37412.00	24183.00	16137.00	25544.00	16611.00	8558.00	24475.00	41194.00	30380.00
C15 N2 O10 S2	23385.00	24047.00	23650.00	23116.00	27701.00	25315.00	22918.00	22174.00	1.00	1.00	27924.00	23994.00	21048.00	21394.00	19751.00	25252.00	20479.00	22414.00	22362.00	21535.00	24529.00	21685.00	14150.00	15013.00
C36 H60 N6 O12	25660.00	23126.00	21116.00	19671.00	15678.00	17370.00	20799.00	18029.00	21397.00	22531.00	14684.00	16248.00	17724.00	18513.00	18843.00	19655.00	19792.00	18788.00	20504.00	16988.00	16851.00	16303.00	14996.00	15632.00
C18 H Cl2 O8 S3	19001.00	16401.00	15021.00	15237.00	14317.00	15407.00	14316.00	14205.00	13204.00	17316.00	16616.00	11876.00	15787.00	16380.00	16814.00	19410.00	18105.00	15078.00	19616.00	19331.00	15602.00	16852.00	12101.00	17585.00
C15 H26 N12 O6	8080.00	7458.00	1.00	1.00	7252.00	1.00	8263.00	9683.00	1.00	1.00	1.00	1.00	1.00	1.00	9348.00	7764.00	13071.00	15329.00	20661.00	16840.00	19154.00	17411.00	10331.00	10527.00
C30 H67 N15 O19	16079.00	16332.00	18308.00	20406.00	21103.00	20209.00	16787.00	20620.00	1.00	1.00	19582.00	19342.00	19576.00	20207.00	22108.00	24625.00	19726.00	17922.00	16534.00	17497.00	19064.00	22956.00	15524.00	13646.00
C23 H18 O3	38075.00	40662.00	39474.00	42357.00	43967.00	42226.00	41752.00	37564.00	39298.00	37735.00	35559.00	37603.00	42311.00	42989.00	40448.00	42372.00	40664.00	44690.00	35794.00	32547.00	37470.00	36170.00	35735.00	36303.00
C21 H49 N4 O11	13551.00	11913.00	13309.00	12996.00	17014.00	14901.00	19737.00	22824.00	13158.00	14379.00	11090.00	12115.00	12638.00	12776.00	13363.00	12757.00	10989.00	14257.00	14784.00	13135.00	12733.00	14405.00	14766.00	10869.00
C26 H23 N14 O3 S	17983.00	19729.00	1.00	1.00	15418.00	11366.00	1.00	1.00	7703.00	6422.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
2,3',4,4',5'-Pentachlorobiphenyl	7036.00	1.00	1.00	1.00	12950.00	12751.00	15180.00	14795.00	7505.00	7325.00	13103.00	15693.00	20031.00	17109.00	1.00	1.00	1.00	1.00	24022.00	23174.00	9229.00	9488.00	16593.00	16356.00
C17 H26 N9 O	12222.00	11578.00	8639.00	12877.00	13277.00	12957.00	14707.00	16536.00	11787.00	13359.00	11104.00	14338.00	11930.00	12803.00	13202.00	15919.00	13780.00	11237.00	11793.00	13794.00	14949.00	11103.00	12083.00	12701.00
O-Desmethylquinidine glucuronide Esi+9.556	177325.00	169545.00	169784.00	167780.00	163330.00	163719.00	171362.00	169202.00	165380.00	164571.00	164387.00	167132.00	174742.00	167800.00	169189.00	162037.00	169317.00	155324.00	163599.00	162818.00	166503.00	168236.00	165281.00	169713.00
C26 H55 N O15	19115.00	16679.00	18322.00	17767.00	14794.00	16452.00	15854.00	17305.00	22805.00	22096.00	16462.00	14975.00	13893.00	17057.00	16566.00	19602.00	15447.00	16081.00	17715.00	22232.00	17732.00	16044.00	16056.00	17710.00
7-hydroxycoumarinyl-?-Linolenate	17328.00	11022.00	13490.00	17460.00	10532.00	12569.00	11841.00	19727.00	20722.00	14183.00	16297.00	10970.00	13419.00	14917.00	17568.00	14874.00	10785.00	14445.00	10500.00	19836.00	12886.00	17288.00	18781.00	13697.00
Licoricidin	16480.00	15843.00	23306.00	18582.00	15766.00	14509.00	16661.00	13061.00	18725.00	12238.00	12643.00	14938.00	20554.00	25112.00	15682.00	17196.00	26390.00	14213.00	17249.00	15844.00	19403.00	22739.00	16532.00	13002.00
C6 H14 N4 O S	15340.00	12707.00	17223.00	17886.00	15262.00	18379.00	13898.00	11930.00	1.00	1.00	13858.00	12109.00	15483.00	12247.00	16891.00	15480.00	18381.00	18350.00	17714.00	16366.00	14121.00	18458.00	9873.00	9071.00
C37 H58 N2 O4	19094.00	22407.00	17319.00	16111.00	28450.00	25699.00	20137.00	16920.00	18878.00	16629.00	13774.00	19996.00	16642.00	20327.00	16609.00	17679.00	16868.00	17193.00	17963.00	22760.00	16172.00	18137.00	23449.00	15599.00
MG(18:1(9Z)/0:0/0:0)[rac]	15127.00	14875.00	19277.00	12360.00	21467.00	25656.00	14830.00	13530.00	25973.00	14962.00	14673.00	18749.00	17994.00	23398.00	13580.00	23373.00	17816.00	20164.00	10168.00	12420.00	31697.00	15637.00	20345.00	23905.00
C25 H3 Cl3 N5 O10 S4	18408.00	18384.00	17655.00	18381.00	20285.00	21751.00	21028.00	18517.00	1.00	1.00	18680.00	19711.00	19742.00	16565.00	15274.00	17428.00	20237.00	16556.00	19844.00	18590.00	16559.00	13434.00	13692.00	15997.00
C18 H3 O2	6207.00	1.00	8604.00	10509.00	11510.00	15312.00	10174.00	10434.00	1.00	1.00	10923.00	10584.00	10915.00	11187.00	12546.00	11940.00	13109.00	14937.00	10433.00	12463.00	8932.00	11824.00	1.00	6906.00
C26 H36 N22 O6	14971.00	17734.00	15107.00	14879.00	17228.00	15712.00	15274.00	14735.00	17747.00	16466.00	13161.00	13881.00	12785.00	12644.00	14639.00	18138.00	13057.00	16226.00	12729.00	12822.00	13468.00	13274.00	16820.00	15813.00
C12 H9 N4 O	1.00	1.00	16733.00	16756.00	13794.00	13163.00	15272.00	15065.00	1.00	1.00	16316.00	16281.00	13306.00	1.00	1.00	1.00	1.00	1.00	14842.00	1.00	14774.00	18619.00	1.00	1.00
C9 H2 N O11 S	28937.00	28332.00	12825.00	14252.00	23837.00	30803.00	17346.00	24913.00	12423.00	16353.00	28598.00	22132.00	19799.00	24609.00	10787.00	7170.00	10744.00	13296.00	21314.00	20657.00	16219.00	19549.00	16614.00	16009.00
C17 H22 N9 S	69571.00	67499.00	65133.00	63457.00	67061.00	64561.00	64896.00	67494.00	71024.00	74813.00	63195.00	57989.00	63501.00	55291.00	69307.00	64818.00	77051.00	66857.00	86580.00	84575.00	59272.00	63537.00	60061.00	64399.00
C10 H10 N3 O2	13260.00	16460.00	10387.00	9730.00	9989.00	10699.00	13296.00	13094.00	12308.00	15092.00	21390.00	12810.00	14665.00	15090.00	13643.00	9710.00	8163.00	7709.00	11731.00	11023.00	10641.00	13034.00	13693.00	16683.00
C14 O19 S Esi+0.8509999	49270.00	51201.00	41288.00	46276.00	46102.00	49725.00	40862.00	49207.00	6081.00	7656.00	46050.00	44143.00	49254.00	46505.00	41547.00	45929.00	43180.00	44751.00	43369.00	45723.00	40822.00	46015.00	34075.00	32821.00
9,15-dioxo-11R-hydroxy-2,3,4,5-tetranor-prostan-1,20-dioic acid	8224.00	7870.00	13215.00	10188.00	15898.00	18153.00	11370.00	9099.00	7890.00	9816.00	8103.00	8927.00	8959.00	10601.00	9639.00	1.00	9240.00	9508.00	8350.00	10572.00	10372.00	8768.00	1.00	7588.00
C30 H22 N19	10780.00	12459.00	15285.00	10790.00	13979.00	11394.00	13308.00	13618.00	12111.00	11780.00	15344.00	11665.00	14064.00	10784.00	17221.00	10003.00	10231.00	10881.00	10892.00	11554.00	11632.00	11728.00	21654.00	12956.00
2,2',4,4'-Tetrahydroxybenzil	21333.00	19380.00	14496.00	15414.00	14314.00	16212.00	13863.00	15348.00	1.00	1.00	14883.00	15266.00	15689.00	13910.00	11949.00	13349.00	14875.00	12190.00	14724.00	13984.00	14830.00	14598.00	10408.00	9603.00
C18 H19 N9	11784.00	12290.00	20941.00	19427.00	15353.00	12168.00	12131.00	17615.00	10429.00	12370.00	20651.00	1.00	1.00	1.00	1.00	10052.00	15958.00	34929.00	12221.00	10605.00	1.00	10488.00	1.00	1.00
C37 H75 N8 O9 Esi+12.324003	63372.00	64051.00	36980.00	43318.00	82079.00	77032.00	35622.00	42208.00	74803.00	74482.00	43997.00	45149.00	48236.00	46898.00	59341.00	63601.00	73443.00	77150.00	47501.00	49010.00	82587.00	59533.00	45280.00	45685.00
C56 H64 N15	5916.00	1.00	8386.00	8697.00	12700.00	10301.00	1.00	1.00	8435.00	6548.00	1.00	1.00	1.00	1.00	1.00	1.00	18178.00	16687.00	1.00	1.00	1.00	1.00	1.00	1.00
C18 H12 N O6	13148.00	12227.00	14318.00	11429.00	12492.00	12554.00	13303.00	14837.00	11883.00	11542.00	12660.00	12955.00	12303.00	14143.00	11787.00	12239.00	11811.00	12366.00	13865.00	11804.00	13652.00	11481.00	11441.00	12155.00
C38 H69 N12 O2	22242.00	19682.00	22812.00	16391.00	16857.00	27422.00	22815.00	20416.00	15186.00	21444.00	24323.00	19330.00	16049.00	36083.00	20177.00	22549.00	20746.00	21037.00	19679.00	23094.00	19162.00	22974.00	23430.00	17873.00
C32 H25 N23 O4	16226.00	18904.00	17252.00	18534.00	18741.00	19575.00	18903.00	15583.00	16552.00	19149.00	20893.00	16981.00	18667.00	17427.00	21148.00	17677.00	19864.00	19539.00	21994.00	17035.00	19718.00	21318.00	21672.00	23789.00
C24 H46 N11 O19	13524.00	11649.00	9820.00	14349.00	14051.00	14055.00	12868.00	10793.00	10908.00	11347.00	12551.00	12228.00	12182.00	8875.00	11064.00	11164.00	13666.00	10460.00	9916.00	12110.00	12133.00	13277.00	16869.00	16890.00
C3 H2 N2 O6	11900.00	14216.00	12787.00	13546.00	12788.00	13697.00	14176.00	14118.00	1.00	1.00	12931.00	13501.00	15454.00	16098.00	14008.00	18028.00	12828.00	9128.00	12409.00	14459.00	19008.00	18562.00	7797.00	1.00
Thalidomide	17484.00	18414.00	11599.00	10685.00	13430.00	11755.00	7759.00	1.00	1.00	1.00	7957.00	8085.00	7267.00	1.00	6972.00	7747.00	8970.00	11228.00	10204.00	9436.00	8154.00	1.00	1.00	1.00
Stearoylethanolamide	22416.00	26873.00	28617.00	23691.00	23714.00	25881.00	17929.00	23804.00	32759.00	25276.00	20636.00	21979.00	27364.00	22921.00	18312.00	34472.00	20178.00	22736.00	20283.00	23032.00	26348.00	19462.00	23579.00	31559.00
C41 H26 N2 O3	14086.00	15189.00	17258.00	14212.00	18202.00	12229.00	11718.00	13181.00	13683.00	11656.00	17914.00	12420.00	14939.00	11165.00	16458.00	13842.00	14236.00	12852.00	11987.00	12751.00	15493.00	13663.00	20697.00	12326.00
C12 H26 O3 Esi+7.1939993	17121.00	17782.00	1.00	1.00	16293.00	17984.00	1.00	7714.00	15977.00	15373.00	9357.00	11201.00	14015.00	13724.00	1.00	1.00	11320.00	11958.00	41860.00	34414.00	1.00	1.00	1.00	1.00
C24 H53 N4	16634.00	13310.00	13812.00	14746.00	19426.00	17481.00	15936.00	14648.00	16938.00	10170.00	20336.00	16727.00	15884.00	15441.00	12648.00	15589.00	17730.00	9307.00	16927.00	15788.00	17459.00	13475.00	14807.00	9267.00
Jervine Esi+5.658998	34028.00	30513.00	34053.00	33265.00	34086.00	31549.00	33912.00	30994.00	34810.00	30397.00	32669.00	35015.00	29798.00	32952.00	29773.00	26238.00	29734.00	32580.00	31291.00	29747.00	33398.00	31312.00	31136.00	28057.00
Bisindolylmaleimide I Esi+10.240998	16599.00	22001.00	15019.00	16017.00	18988.00	22225.00	14584.00	11324.00	25415.00	24502.00	13476.00	10660.00	16205.00	19398.00	14030.00	14884.00	20992.00	19339.00	12581.00	10021.00	16678.00	12175.00	13096.00	10684.00
11-Hydroxyyohimbine	16885.00	16607.00	18018.00	15945.00	13158.00	13522.00	13891.00	14713.00	9651.00	10683.00	19514.00	18350.00	15408.00	16706.00	16465.00	12104.00	13397.00	12597.00	14867.00	15571.00	8028.00	14058.00	12665.00	17154.00
C16 H28 N5 O3	17138.00	32418.00	17370.00	17884.00	10979.00	12633.00	15467.00	12878.00	14334.00	11629.00	22371.00	19362.00	15176.00	13343.00	21053.00	16737.00	17823.00	21299.00	15409.00	22747.00	17718.00	26870.00	10036.00	14197.00
ethyl-2-amino-4-methyl-Thiazole-5-Carboxylate	9562.00	8425.00	10811.00	10129.00	10644.00	9683.00	11124.00	10536.00	10242.00	9944.00	11505.00	8606.00	11498.00	7750.00	11287.00	8445.00	10063.00	10241.00	9658.00	7409.00	10949.00	7792.00	16180.00	7411.00
C37 H38 N2 O13	14810.00	13206.00	1.00	1.00	10045.00	10557.00	1.00	1.00	19038.00	17532.00	1.00	1.00	6579.00	6139.00	1.00	1.00	9687.00	8550.00	1.00	1.00	1.00	1.00	7841.00	7025.00
C12 H15 N7 O	7461.00	7661.00	35657.00	36086.00	37793.00	39023.00	40471.00	38454.00	1.00	1.00	25243.00	26739.00	35695.00	35644.00	8728.00	10015.00	13073.00	13281.00	18012.00	17917.00	8018.00	46190.00	9813.00	9658.00
4-n-Hexylphenol	13593.00	11579.00	10455.00	7644.00	15895.00	15098.00	16292.00	18521.00	11953.00	8801.00	1.00	1.00	14438.00	9389.00	17630.00	16551.00	1.00	1.00	20656.00	23634.00	12284.00	9759.00	8838.00	10279.00
C19 N O21 S2	20038.00	22515.00	15287.00	16483.00	17411.00	16909.00	15888.00	15361.00	1.00	1.00	18695.00	17735.00	16384.00	15934.00	14100.00	16813.00	16552.00	14468.00	13256.00	15916.00	15183.00	16108.00	14084.00	12595.00
C19 H2 N O22 S	25327.00	22443.00	24108.00	21985.00	18398.00	22681.00	21552.00	20487.00	20304.00	23287.00	21866.00	19164.00	20679.00	17665.00	26418.00	24934.00	23665.00	19751.00	19061.00	18409.00	20053.00	21964.00	18088.00	23166.00
Piperaduncin B	1.00	1.00	16826.00	17886.00	9474.00	9861.00	13909.00	11200.00	1.00	1.00	20088.00	17567.00	10427.00	9822.00	8204.00	7437.00	9872.00	10584.00	10157.00	9697.00	15853.00	14874.00	1.00	1.00
C21 H37 N12 O2	10625.00	12641.00	11616.00	12415.00	10803.00	12250.00	16662.00	16171.00	11337.00	11492.00	12610.00	11326.00	10843.00	11662.00	11232.00	12480.00	12373.00	11346.00	12666.00	12682.00	11862.00	12292.00	9623.00	9190.00
C39 H61 N19	1.00	1.00	1.00	1.00	11265.00	9145.00	1.00	1.00	1.00	7512.00	8129.00	1.00	1.00	1.00	19763.00	18197.00	1.00	1.00	25242.00	17334.00	1.00	1.00	1.00	1.00
Zalcitabine Esi+1.1149999 :1	34908.00	29770.00	41408.00	34034.00	37085.00	31087.00	23586.00	27831.00	1.00	1.00	16566.00	14976.00	33259.00	32865.00	34154.00	40927.00	35033.00	32935.00	28401.00	27487.00	23594.00	25545.00	20821.00	21079.00
C26 H12 N6 O9	14893.00	17170.00	15873.00	13781.00	15916.00	16454.00	14848.00	14586.00	15393.00	18043.00	13861.00	17724.00	16091.00	15860.00	17523.00	18150.00	12914.00	17163.00	16900.00	15653.00	16398.00	15817.00	15449.00	15986.00
Azomycin	21884.00	16132.00	18983.00	17500.00	13442.00	11910.00	12525.00	14913.00	1.00	1.00	9767.00	9337.00	11288.00	15361.00	12868.00	12653.00	12765.00	15273.00	9809.00	9609.00	8181.00	10645.00	9204.00	7473.00
dichlorphenamide	33639.00	35715.00	33680.00	35225.00	35017.00	34172.00	35156.00	37633.00	1.00	1.00	37559.00	37924.00	37599.00	35873.00	30059.00	31698.00	30307.00	30314.00	35566.00	35274.00	33467.00	35080.00	27160.00	30328.00
C5 H2 Cl2 N6 O2 S2	19797.00	18917.00	17558.00	17134.00	14869.00	10671.00	17923.00	16597.00	6946.00	8965.00	13241.00	14923.00	16789.00	1.00	23165.00	24725.00	13096.00	9003.00	16611.00	17193.00	13919.00	10937.00	10751.00	15629.00
Scyphostatin A	72510.00	72409.00	27267.00	22589.00	33204.00	40236.00	17497.00	1.00	1.00	1.00	17456.00	20474.00	62019.00	62245.00	36498.00	38715.00	28236.00	27056.00	19444.00	19245.00	46084.00	40907.00	20146.00	25798.00
Xestoaminol C Esi+9.505999	13219.00	13491.00	9683.00	15361.00	8589.00	10644.00	11346.00	13893.00	10393.00	12967.00	13447.00	15478.00	10785.00	10084.00	12041.00	10461.00	1.00	11852.00	9539.00	11834.00	11723.00	11000.00	8835.00	17606.00
C23 H31 N7 O15	7031.00	1.00	11734.00	10632.00	10583.00	11261.00	9819.00	8290.00	10815.00	11269.00	17476.00	19953.00	15196.00	15211.00	10943.00	11817.00	7580.00	9167.00	1.00	1.00	7881.00	9100.00	8684.00	7951.00
C5 H10 N O7	7709.00	7469.00	12815.00	11629.00	20219.00	20654.00	12194.00	8780.00	1.00	1.00	10935.00	12819.00	11421.00	13603.00	18674.00	20068.00	19201.00	20100.00	12280.00	12128.00	16238.00	17200.00	1.00	1.00
Clitidine	13183.00	14467.00	17965.00	16382.00	17919.00	16850.00	12601.00	17617.00	1.00	1.00	19884.00	17527.00	16228.00	19843.00	16569.00	16792.00	10706.00	15144.00	14848.00	15009.00	18865.00	13742.00	12070.00	10327.00
C14 H28 N4 O7	1.00	1.00	9754.00	9061.00	12035.00	11933.00	12230.00	10959.00	1.00	1.00	1.00	1.00	10680.00	9051.00	11999.00	12966.00	16733.00	18787.00	15544.00	13843.00	15039.00	15303.00	8900.00	7863.00
C27 H41 N12 O	17675.00	21790.00	17511.00	22856.00	15924.00	19467.00	16337.00	13910.00	17492.00	13304.00	15511.00	13039.00	15745.00	22012.00	20750.00	14995.00	17226.00	14985.00	12817.00	15426.00	20121.00	19195.00	17327.00	15271.00
3-Butylidene-7-hydroxyphthalide Esi+11.944	58469.00	54964.00	44945.00	40209.00	43723.00	52775.00	49792.00	54331.00	47284.00	47525.00	54350.00	49904.00	41242.00	41656.00	39364.00	42449.00	43531.00	38447.00	43078.00	48263.00	50491.00	48266.00	52464.00	44174.00
C28 H61 N16 O15	14101.00	12244.00	15408.00	15296.00	16880.00	14478.00	15410.00	14514.00	1.00	1.00	16753.00	13315.00	13935.00	13336.00	16543.00	16488.00	14622.00	16028.00	13337.00	13851.00	15043.00	14381.00	10674.00	10207.00
C35 H48 N11 O	14023.00	16660.00	18786.00	17251.00	17221.00	18939.00	18620.00	12606.00	17275.00	20099.00	16185.00	17235.00	16454.00	16568.00	15447.00	18852.00	18068.00	12878.00	16493.00	16028.00	16417.00	17373.00	23850.00	18659.00
C38 H71 N	25674.00	20064.00	22300.00	23017.00	21164.00	24415.00	23718.00	1.00	18149.00	20735.00	20902.00	20345.00	21229.00	22176.00	18439.00	19744.00	20590.00	17294.00	20979.00	21387.00	20344.00	21787.00	26483.00	21547.00
14,15-LTD4	15699.00	13301.00	17362.00	14660.00	13871.00	12372.00	13097.00	13471.00	13885.00	13457.00	15138.00	17597.00	15981.00	15476.00	11779.00	12387.00	11175.00	11884.00	15350.00	10950.00	12984.00	11451.00	14105.00	10364.00
C17 H20 N2 S2 Esi+11.938997 :1	57402.00	57577.00	38012.00	39394.00	40983.00	48013.00	47129.00	44323.00	40623.00	45565.00	49999.00	47473.00	38530.00	38320.00	38571.00	37076.00	37723.00	33342.00	38707.00	40902.00	42028.00	42644.00	38919.00	39690.00
C42 H83 N5 O11 Esi+12.668 :1	64860.00	69900.00	31624.00	40628.00	74655.00	68460.00	41254.00	44525.00	73881.00	90058.00	54812.00	43451.00	46976.00	35508.00	70424.00	59934.00	85816.00	71056.00	51037.00	43979.00	38912.00	50920.00	44008.00	51893.00
C6 H11 Cl N3 S	13296.00	14265.00	12139.00	14119.00	14439.00	15663.00	10416.00	11881.00	1.00	1.00	16468.00	17434.00	12469.00	12779.00	13298.00	11604.00	12045.00	12095.00	13070.00	13825.00	11607.00	11287.00	8494.00	8726.00
C36 H61 N20	17780.00	21464.00	17091.00	19022.00	12255.00	15021.00	21453.00	17618.00	12902.00	16189.00	20310.00	17632.00	13949.00	14881.00	19097.00	18205.00	17793.00	12707.00	14597.00	15535.00	16889.00	21456.00	17246.00	15004.00
Tazobactam	17718.00	16958.00	1.00	1.00	16346.00	15204.00	15648.00	16284.00	1.00	1.00	10797.00	10795.00	15563.00	14402.00	1.00	1.00	1.00	1.00	12542.00	12871.00	1.00	1.00	7757.00	6570.00
C38 H73 N15 O4 Esi+13.036001	45122.00	49650.00	29713.00	29029.00	46728.00	61028.00	41361.00	20847.00	15175.00	59362.00	6497.00	24804.00	1.00	1.00	12647.00	10101.00	14773.00	14782.00	8977.00	7649.00	44380.00	37540.00	10613.00	34150.00
C33 H26 N6	17570.00	17280.00	1.00	1.00	6291.00	6598.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	17290.00	17423.00	11916.00	11579.00	10019.00	9388.00	11547.00	11949.00	10311.00	8626.00
C26 H27 N16 S2	38908.00	37383.00	31992.00	35727.00	40946.00	36033.00	37850.00	42122.00	33847.00	36758.00	33056.00	33657.00	32707.00	40262.00	31386.00	36419.00	39177.00	40302.00	39090.00	35434.00	34571.00	39740.00	37253.00	36022.00
C44 H58 N3 O2	19949.00	15992.00	28928.00	14352.00	13471.00	16703.00	13954.00	21342.00	18743.00	15228.00	17799.00	19034.00	17625.00	19718.00	13057.00	16772.00	18024.00	27591.00	17703.00	20984.00	20202.00	13435.00	18721.00	12665.00
C9 H20 N2 Esi+7.0879984	22493.00	15722.00	14017.00	19452.00	18886.00	16773.00	20466.00	18457.00	18867.00	18331.00	16836.00	18057.00	23110.00	17110.00	17941.00	17528.00	12819.00	17418.00	19753.00	18737.00	16953.00	15758.00	15360.00	19397.00
C29 H63 N28 O3	24839.00	28612.00	24056.00	21612.00	28278.00	30340.00	23067.00	26457.00	25418.00	20534.00	21532.00	34622.00	24630.00	25316.00	19830.00	24114.00	23119.00	17346.00	21998.00	13884.00	19029.00	19239.00	23168.00	19104.00
C12 H16 O16	10722.00	11187.00	12953.00	13664.00	11460.00	13487.00	8167.00	8569.00	1.00	1.00	14300.00	16148.00	9537.00	8777.00	9908.00	8949.00	12695.00	13413.00	10010.00	10734.00	11688.00	11868.00	7908.00	7400.00
Phyllanthin	13556.00	13122.00	12608.00	13590.00	13384.00	15555.00	13870.00	11177.00	12658.00	13250.00	14291.00	14668.00	16056.00	13971.00	13729.00	12976.00	13663.00	17731.00	12094.00	12923.00	12519.00	16810.00	10672.00	16631.00
C22 H45 N O15 S2	17326.00	20219.00	13282.00	16627.00	18160.00	17063.00	16599.00	16410.00	16047.00	19089.00	15279.00	16656.00	16698.00	14664.00	16623.00	18809.00	13734.00	17144.00	14410.00	12418.00	15793.00	15575.00	18955.00	19261.00
C18 H19 N9 Esi+8.747001	16279.00	12658.00	21648.00	19997.00	15194.00	17742.00	18802.00	11259.00	16878.00	12164.00	13709.00	1.00	1.00	1.00	1.00	10342.00	15780.00	16990.00	11510.00	10677.00	1.00	10003.00	1.00	1.00
C25 H39 N5 O4	10157.00	9760.00	11177.00	10222.00	10057.00	11074.00	11677.00	11189.00	12867.00	9907.00	9614.00	10126.00	10238.00	7929.00	10630.00	11066.00	10582.00	15208.00	9578.00	9142.00	11765.00	9373.00	10750.00	9756.00
C37 H59 N15 O	24157.00	23426.00	18481.00	21633.00	19598.00	23103.00	19527.00	20041.00	20771.00	18968.00	17017.00	21978.00	19038.00	18725.00	23041.00	16383.00	16726.00	21937.00	18396.00	16085.00	22134.00	18045.00	18981.00	16657.00
17-phenyl trinor Prostaglandin F2? serinol amide	10009.00	10468.00	10588.00	9222.00	10624.00	10281.00	8498.00	13602.00	13042.00	9125.00	9687.00	10876.00	8388.00	10384.00	17123.00	12132.00	11883.00	15618.00	12603.00	10530.00	11175.00	11264.00	12433.00	13381.00
C42 H42 N4	19446.00	18204.00	15148.00	15882.00	17906.00	16904.00	9839.00	9919.00	19495.00	19133.00	10037.00	10979.00	11413.00	7671.00	1.00	9176.00	15766.00	15553.00	1.00	1.00	11280.00	9214.00	1.00	7806.00
C16 H2 N2 O16 S	14531.00	15572.00	14334.00	13703.00	16735.00	15594.00	13084.00	12760.00	1.00	1.00	18222.00	16826.00	15034.00	15558.00	15011.00	14539.00	13550.00	12908.00	15475.00	14576.00	15640.00	13876.00	9200.00	8857.00
C29 H40 N12 S	27727.00	25614.00	22829.00	19523.00	31558.00	26245.00	14496.00	13694.00	37487.00	35227.00	17774.00	15619.00	16803.00	16820.00	14106.00	12011.00	26657.00	27691.00	16435.00	1.00	17311.00	18099.00	1.00	1.00
C18 H37 N6 O11 S	16067.00	15859.00	12697.00	12290.00	10016.00	10432.00	9200.00	7741.00	1.00	1.00	8594.00	7763.00	11594.00	10006.00	12108.00	13054.00	11115.00	10751.00	9240.00	11542.00	9704.00	8989.00	11522.00	11558.00
1-amino-3,3-diethoxypropane	1.00	1.00	10479.00	8905.00	10679.00	11692.00	1.00	1.00	1.00	1.00	12428.00	12972.00	1.00	1.00	1.00	1.00	1.00	1.00	17304.00	18728.00	1.00	1.00	1.00	1.00
C34 H53 N22 O3	16814.00	15866.00	15505.00	14353.00	14107.00	15180.00	14261.00	14155.00	15096.00	13098.00	13022.00	13219.00	16623.00	12956.00	18407.00	17692.00	15597.00	12583.00	11936.00	15069.00	15481.00	13460.00	13062.00	14894.00
C10 H18 N6 O9	13432.00	14255.00	7737.00	29861.00	17768.00	18983.00	18010.00	17997.00	1.00	1.00	16995.00	15105.00	15387.00	21074.00	18178.00	22863.00	24592.00	24902.00	14063.00	13885.00	24346.00	23646.00	11135.00	12226.00
Jervine Esi+5.658998 :1	35973.00	32124.00	35366.00	33257.00	33160.00	32090.00	31615.00	26553.00	34810.00	30460.00	31583.00	33991.00	29561.00	33753.00	28237.00	25848.00	29964.00	31603.00	30385.00	29947.00	32533.00	31610.00	31724.00	28749.00
Okadaic acid	15067.00	10701.00	12219.00	11162.00	10608.00	10814.00	11959.00	11061.00	11056.00	10191.00	10751.00	10967.00	12156.00	10829.00	16582.00	13020.00	11503.00	10659.00	11216.00	12651.00	9657.00	10033.00	12506.00	11371.00
?-Glutamyl-?-aminopropiononitrile	23794.00	21656.00	14891.00	15429.00	17379.00	15264.00	14697.00	14451.00	12568.00	9631.00	14449.00	15781.00	14561.00	15574.00	20571.00	17755.00	18941.00	18766.00	18254.00	17632.00	17853.00	18611.00	11917.00	9940.00
Thiodiglycol	12375.00	12589.00	8856.00	13175.00	13762.00	12337.00	13035.00	13096.00	10178.00	13406.00	10213.00	13538.00	9881.00	10740.00	10869.00	11898.00	10428.00	10907.00	9337.00	13607.00	14246.00	13896.00	12480.00	13612.00
C55 H41 Cl N16	12718.00	13106.00	15906.00	15821.00	15751.00	15960.00	15875.00	14743.00	1.00	1.00	15157.00	14859.00	14035.00	14029.00	16695.00	13739.00	17425.00	14316.00	13327.00	12583.00	14507.00	16342.00	10984.00	10357.00
C10 H16 N9 O5	39473.00	40044.00	39781.00	42016.00	44327.00	42241.00	41590.00	37944.00	38136.00	38728.00	35832.00	37666.00	43041.00	42939.00	39730.00	40946.00	40690.00	45060.00	34661.00	32673.00	38797.00	35771.00	38167.00	36052.00
C10 H8 N4 O9 S	18398.00	19550.00	14627.00	12465.00	15806.00	15945.00	18465.00	14933.00	1.00	1.00	15062.00	17297.00	16876.00	15095.00	17318.00	17879.00	16503.00	14629.00	16617.00	15558.00	15041.00	15978.00	9346.00	7109.00
C12 H20 N2 O7 S Esi+6.0469985	21547.00	27412.00	19118.00	23881.00	35001.00	40179.00	18954.00	22169.00	72515.00	75861.00	30676.00	28626.00	41801.00	38507.00	39422.00	45141.00	61182.00	61854.00	31930.00	33825.00	56787.00	58050.00	49281.00	47321.00
C14 H13 N5 O	25740.00	29931.00	14289.00	26164.00	26791.00	23869.00	23239.00	23021.00	28830.00	24262.00	23285.00	26038.00	28024.00	28825.00	25971.00	17934.00	15944.00	22960.00	15740.00	21282.00	23351.00	24681.00	23840.00	24701.00
C17 H27 N12 O	18630.00	12796.00	15510.00	10935.00	17896.00	16210.00	17595.00	12406.00	15696.00	14180.00	13693.00	15362.00	13776.00	16074.00	15942.00	15877.00	16716.00	15646.00	18179.00	15535.00	12732.00	17286.00	12701.00	14449.00
C14 H29 N2 O16	15612.00	17817.00	15334.00	14088.00	13252.00	8597.00	12178.00	12186.00	1.00	8316.00	7826.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C11 H25 N4	17572.00	22144.00	15062.00	21260.00	12141.00	12183.00	18181.00	27813.00	17334.00	15030.00	20396.00	15879.00	11955.00	18176.00	12081.00	13592.00	17802.00	26288.00	18193.00	16764.00	17040.00	18427.00	26264.00	15108.00
Homolanthionine	10810.00	12492.00	17727.00	14755.00	10239.00	8953.00	11253.00	11170.00	6629.00	8089.00	9209.00	7744.00	8653.00	7443.00	9649.00	8242.00	11031.00	11168.00	7262.00	1.00	13347.00	12691.00	9443.00	10634.00
Tyr Ser Phe	13589.00	15217.00	1.00	6389.00	7531.00	8481.00	1.00	1.00	1.00	1.00	6051.00	6064.00	7559.00	7005.00	14588.00	12637.00	7770.00	9417.00	1.00	6466.00	8254.00	10208.00	1.00	1.00
C14 O19 S Esi+0.8549998	48927.00	52040.00	42316.00	46545.00	46105.00	50857.00	41849.00	50449.00	1.00	6293.00	45071.00	44263.00	48393.00	47199.00	41038.00	45666.00	43306.00	44616.00	43716.00	45150.00	40436.00	44961.00	35554.00	33082.00
C9 H5 N2 O7 S	15484.00	13185.00	15120.00	12892.00	15854.00	14104.00	12954.00	12316.00	1.00	1.00	15342.00	12591.00	13603.00	14496.00	11855.00	13264.00	11796.00	11768.00	15732.00	16657.00	10801.00	12564.00	11859.00	9490.00
C12 H13 N8 O4	15398.00	15060.00	14345.00	11279.00	10892.00	11182.00	9585.00	12514.00	1.00	1.00	11033.00	11788.00	12629.00	14028.00	12957.00	12945.00	12398.00	11885.00	12269.00	9024.00	12024.00	13702.00	7454.00	6251.00
Hinokitiol glucoside	13958.00	13015.00	16593.00	15919.00	16806.00	12221.00	10630.00	17284.00	14964.00	11267.00	6668.00	14354.00	1.00	17372.00	9875.00	15568.00	14701.00	12343.00	12068.00	13815.00	10215.00	11304.00	12996.00	12220.00
C14 H18 N7 O9	13545.00	11557.00	14123.00	14206.00	11336.00	14854.00	14129.00	15485.00	14943.00	17250.00	11975.00	12927.00	12568.00	13037.00	13945.00	16055.00	12232.00	15453.00	15502.00	15565.00	15359.00	12264.00	10996.00	10719.00
C26 H34 N4 O10	13509.00	10841.00	13049.00	10436.00	16365.00	18282.00	27604.00	30278.00	9350.00	11705.00	23728.00	17836.00	19484.00	18329.00	11831.00	11286.00	16260.00	15501.00	14417.00	13254.00	21173.00	25603.00	28820.00	24884.00
Villol	17726.00	21292.00	26650.00	22319.00	18949.00	18516.00	20064.00	22504.00	19115.00	20014.00	19527.00	22128.00	17712.00	19669.00	30066.00	24205.00	22119.00	23265.00	23646.00	28109.00	18437.00	17520.00	19902.00	24262.00
Cysteic acid	16048.00	8256.00	14161.00	12685.00	14020.00	15521.00	14719.00	11593.00	1.00	1.00	11536.00	9980.00	12031.00	13117.00	19810.00	12668.00	19577.00	12151.00	14065.00	12945.00	12346.00	10149.00	10394.00	14502.00
C15 H2 N O15 S2	16726.00	14590.00	13897.00	14780.00	18234.00	15564.00	12552.00	12835.00	1.00	1.00	18817.00	15362.00	14338.00	15367.00	12236.00	13378.00	15788.00	14982.00	14440.00	15330.00	13190.00	13661.00	7147.00	9415.00
C45 H29 N9 O	16898.00	17352.00	17171.00	17057.00	19794.00	15619.00	19143.00	14811.00	18597.00	16748.00	17497.00	17455.00	18901.00	14699.00	13560.00	14314.00	17961.00	17334.00	14670.00	18171.00	16990.00	16843.00	16082.00	16295.00
C29 H26 N16 O11	11135.00	12542.00	1.00	1.00	11514.00	9395.00	1.00	1.00	17694.00	14877.00	1.00	1.00	1.00	1.00	1.00	1.00	9399.00	9408.00	1.00	1.00	1.00	1.00	1.00	7899.00
C6 H3 N O4 S	10770.00	12045.00	23138.00	19221.00	14977.00	14615.00	15883.00	17596.00	1.00	1.00	13589.00	12477.00	15109.00	11936.00	13305.00	24450.00	25542.00	23689.00	15010.00	14719.00	20207.00	18733.00	18535.00	15825.00
C14 H Cl O2 S3	13628.00	12715.00	1.00	1.00	14685.00	15165.00	11958.00	19433.00	1.00	8474.00	10414.00	12229.00	11849.00	7857.00	1.00	1.00	1.00	1.00	15756.00	12106.00	1.00	1.00	12969.00	9434.00
C21 H6 N O23 S	15615.00	13387.00	16057.00	1.00	11539.00	10197.00	14112.00	14502.00	15629.00	14495.00	15828.00	15261.00	1.00	14675.00	21027.00	15432.00	16792.00	15020.00	12333.00	16050.00	12135.00	14011.00	15408.00	18383.00
C39 H79 N24 O4	17726.00	17219.00	13992.00	16912.00	16416.00	17740.00	16933.00	18231.00	1.00	1.00	14602.00	16786.00	16477.00	17711.00	11996.00	14179.00	15466.00	16365.00	15986.00	17823.00	13348.00	15158.00	14175.00	14570.00
C14 H4 N2 O14 S	12649.00	14927.00	12647.00	14123.00	15643.00	15530.00	15520.00	14981.00	1.00	1.00	16024.00	16300.00	12910.00	14718.00	17157.00	17343.00	13272.00	14266.00	13800.00	15291.00	18432.00	14722.00	1.00	1.00
Calomelanol D Esi+9.421998	14859.00	15415.00	17814.00	17459.00	18229.00	18470.00	17587.00	20588.00	15763.00	17114.00	19204.00	18502.00	15914.00	18635.00	17662.00	16624.00	15986.00	17180.00	14191.00	18999.00	17000.00	15330.00	18116.00	15401.00
Oxidized Photinus luciferin Esi+0.82900023	13649.00	15711.00	56238.00	52184.00	13017.00	12823.00	20582.00	16262.00	1.00	1.00	16531.00	13567.00	10951.00	11691.00	42628.00	51098.00	49109.00	48521.00	18390.00	19024.00	46381.00	48359.00	8678.00	36696.00
(+)-3,7(11)-Acoradiene	12487.00	13033.00	10311.00	15941.00	12585.00	11651.00	15623.00	16463.00	7456.00	13433.00	11543.00	14227.00	12735.00	13780.00	17217.00	13725.00	12376.00	16533.00	15736.00	14438.00	13302.00	16602.00	15359.00	17490.00
C25 H45 N8 O2	9722.00	13548.00	12682.00	16738.00	12815.00	12944.00	10598.00	10428.00	15409.00	13957.00	11074.00	11633.00	11176.00	13698.00	10974.00	9753.00	7987.00	9427.00	12176.00	16005.00	11232.00	11491.00	13146.00	11000.00
C24 H12 N2 O4	1.00	1.00	12424.00	12460.00	7264.00	7041.00	8926.00	10720.00	1.00	1.00	15326.00	15128.00	6823.00	1.00	1.00	1.00	7545.00	8135.00	9398.00	1.00	10160.00	9993.00	1.00	1.00
C18 H44 N18 O2 S	14061.00	12811.00	11760.00	9796.00	12722.00	10569.00	13169.00	10323.00	11962.00	13468.00	12550.00	10427.00	8899.00	11149.00	13954.00	14076.00	13301.00	11888.00	12219.00	11969.00	11664.00	10671.00	9849.00	9976.00
C16 Cl2 N2 O17 S2	35429.00	31167.00	28281.00	30732.00	31781.00	31765.00	32672.00	30398.00	6637.00	1.00	31598.00	32246.00	29386.00	28955.00	26552.00	30099.00	23088.00	27906.00	32970.00	31880.00	29872.00	27457.00	25697.00	24297.00
C50 H77 N2 O4	23307.00	16868.00	37956.00	25997.00	12971.00	8178.00	10741.00	33080.00	9599.00	22572.00	12588.00	20949.00	14516.00	33255.00	18977.00	33455.00	39827.00	21320.00	33777.00	21183.00	30747.00	36836.00	32477.00	20877.00
Dolastatin 15	15669.00	15778.00	18105.00	15463.00	16171.00	15708.00	15744.00	14661.00	14656.00	16502.00	15095.00	14594.00	14490.00	15645.00	13646.00	13889.00	18574.00	15738.00	15133.00	15207.00	16457.00	13443.00	13881.00	15911.00
C7 H6 O7 S	12411.00	8809.00	16559.00	16918.00	16411.00	22783.00	13662.00	10055.00	1.00	1.00	11501.00	11282.00	16840.00	12389.00	12529.00	13397.00	16376.00	18557.00	17306.00	13493.00	11256.00	11092.00	15223.00	15199.00
C27 H52 N6 O26	11783.00	13524.00	1.00	1.00	8721.00	8078.00	1.00	1.00	17403.00	14914.00	1.00	1.00	1.00	1.00	1.00	1.00	7071.00	7440.00	1.00	1.00	1.00	1.00	1.00	1.00
C13 H2 O4 S3	15748.00	14896.00	17158.00	16261.00	20876.00	18470.00	19830.00	18532.00	1.00	1.00	15586.00	18698.00	23095.00	20650.00	11612.00	8700.00	13922.00	12830.00	18152.00	16703.00	15728.00	18807.00	14040.00	13290.00
1-Kestose	18008.00	1.00	1.00	1.00	9124.00	1.00	16034.00	17672.00	13095.00	18289.00	1.00	1.00	9829.00	12536.00	1.00	10503.00	10644.00	13076.00	1.00	1.00	8750.00	8376.00	8885.00	1.00
Arg His Val	8841.00	12043.00	1.00	9908.00	16298.00	9550.00	7680.00	1.00	13065.00	12966.00	8970.00	7295.00	11982.00	7600.00	13458.00	8988.00	11737.00	9845.00	9045.00	1.00	11067.00	11869.00	15971.00	13643.00
C9 H10 O8 Esi+1.1140002	192974.00	194227.00	33561.00	18759.00	28448.00	57575.00	27632.00	24204.00	99603.00	110810.00	57703.00	57236.00	28495.00	28502.00	21017.00	23517.00	18407.00	66574.00	21584.00	10410.00	12696.00	14376.00	28128.00	7900.00
C56 H83 N3 O5	42581.00	28809.00	24717.00	21917.00	34765.00	43061.00	15972.00	14926.00	41858.00	33326.00	27036.00	22296.00	32786.00	24889.00	30114.00	34581.00	31816.00	30584.00	34561.00	27388.00	21744.00	26890.00	23981.00	31357.00
C16 H O3	1.00	6318.00	10785.00	9659.00	12009.00	11711.00	10378.00	8417.00	1.00	1.00	9467.00	11151.00	11637.00	11673.00	10797.00	13997.00	12493.00	12850.00	7547.00	7968.00	10445.00	11263.00	1.00	1.00
C44 H93 N11 O3	31935.00	30239.00	28940.00	23050.00	32250.00	28948.00	26771.00	28713.00	1.00	1.00	30340.00	29481.00	27066.00	25769.00	20130.00	25340.00	21988.00	21282.00	25223.00	28381.00	24415.00	26557.00	20942.00	19089.00
4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinazoline Esi+3.5920005	14147.00	14545.00	12209.00	14742.00	15896.00	13562.00	14473.00	15687.00	1.00	1.00	14729.00	12960.00	24503.00	15208.00	16715.00	16495.00	18258.00	16354.00	15585.00	17339.00	13315.00	13138.00	8902.00	9887.00
C25 H39 N7 O	15322.00	16234.00	13331.00	15530.00	17256.00	13378.00	13908.00	14970.00	12954.00	15042.00	18892.00	16197.00	13925.00	15674.00	14896.00	15069.00	15171.00	14916.00	18087.00	11176.00	15794.00	14917.00	15483.00	15368.00
C4 H6 N5 O4	31741.00	42732.00	43083.00	34505.00	32085.00	29702.00	47291.00	48158.00	11343.00	14366.00	31038.00	35576.00	35700.00	19422.00	51223.00	45511.00	32709.00	37165.00	39767.00	50892.00	45286.00	37319.00	33215.00	28370.00
C15 H32 N20 O	12135.00	12447.00	12064.00	10724.00	11914.00	13187.00	11784.00	13629.00	11590.00	11124.00	11856.00	8455.00	10224.00	12021.00	10107.00	15019.00	11562.00	12355.00	10411.00	9981.00	10917.00	9399.00	12447.00	12377.00
C25 H35 N11 O	8819.00	8777.00	8295.00	8467.00	11152.00	9599.00	9682.00	8732.00	9574.00	9479.00	1.00	8362.00	9268.00	1.00	17750.00	9371.00	8603.00	9124.00	1.00	1.00	9303.00	8527.00	9719.00	9548.00
C22 H22 N10 O9	10630.00	11235.00	8812.00	10543.00	8876.00	7786.00	6693.00	6317.00	1.00	1.00	6983.00	1.00	6881.00	6251.00	14917.00	14609.00	13195.00	13001.00	1.00	1.00	10737.00	10817.00	1.00	1.00
C5 N2 O6 S3 Esi+0.8479997	23399.00	27873.00	13993.00	13779.00	24879.00	22811.00	26546.00	23222.00	1.00	7975.00	23753.00	19087.00	18750.00	21109.00	16586.00	1.00	12059.00	9700.00	21423.00	24403.00	14094.00	13783.00	15289.00	16275.00
C21 H13 Cl3 N2 O7 S5	35590.00	29393.00	29351.00	31181.00	35455.00	35241.00	29192.00	33169.00	1.00	1.00	30575.00	31066.00	31468.00	30058.00	29940.00	31043.00	30858.00	28681.00	30365.00	32407.00	27693.00	29576.00	29707.00	22669.00
C12 H4 O7 S3	15449.00	14979.00	1.00	1.00	13874.00	15050.00	14118.00	14609.00	1.00	1.00	15573.00	11065.00	10043.00	10005.00	1.00	1.00	6728.00	5901.00	16755.00	17957.00	6994.00	6986.00	11833.00	10733.00
1?,3?,4?-p-menthane-3,8-diol	13803.00	13223.00	10415.00	10944.00	8135.00	7089.00	9419.00	7806.00	14519.00	13448.00	10894.00	11927.00	1.00	7786.00	1.00	1.00	1.00	1.00	8603.00	1.00	7317.00	9633.00	9869.00	12748.00
Phenanthrene-4,5-dicarboxylate	1.00	7863.00	6709.00	6288.00	9178.00	9834.00	9649.00	8769.00	1.00	1.00	8225.00	9211.00	11634.00	10795.00	1.00	1.00	1.00	1.00	14851.00	14813.00	1.00	6588.00	6570.00	8103.00
C27 H29 N13	10852.00	12311.00	10580.00	11242.00	12858.00	12150.00	9997.00	12023.00	11625.00	11914.00	11021.00	11037.00	12121.00	11005.00	11118.00	11762.00	10504.00	11809.00	9774.00	10174.00	12029.00	10258.00	15273.00	16090.00
C24 H33 N24 O5	11372.00	13873.00	10074.00	11102.00	14307.00	12475.00	8239.00	11419.00	11320.00	11995.00	9339.00	11893.00	10702.00	11180.00	11894.00	10946.00	10627.00	11934.00	9169.00	8694.00	10941.00	11860.00	14377.00	13207.00
2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate	12948.00	10252.00	9909.00	13690.00	10008.00	11388.00	9332.00	13305.00	11982.00	13285.00	15248.00	12649.00	8427.00	10064.00	10008.00	8563.00	12877.00	11615.00	8555.00	12253.00	10609.00	12094.00	14594.00	9899.00
C15 H35 N4	8127.00	1.00	9836.00	10981.00	13656.00	12216.00	9542.00	10997.00	13372.00	15279.00	10447.00	8364.00	12556.00	11467.00	11472.00	8202.00	13374.00	11135.00	9478.00	1.00	13241.00	12929.00	15030.00	12345.00
C16 H5 N4 O2	13039.00	11747.00	12777.00	10327.00	11890.00	13148.00	11048.00	11060.00	12942.00	14425.00	12631.00	10642.00	10431.00	11492.00	12556.00	14063.00	14132.00	12149.00	10859.00	12945.00	12849.00	10398.00	14520.00	14737.00
C25 H45 N Esi+12.528004	22954.00	8705.00	46347.00	29339.00	12045.00	12941.00	21236.00	18017.00	39019.00	19023.00	10350.00	11914.00	17057.00	8156.00	13438.00	11985.00	15387.00	9882.00	12424.00	28594.00	11477.00	6302.00	1.00	20697.00
C32 H23 N7 O3	12120.00	12395.00	15504.00	11905.00	13288.00	11772.00	13157.00	13860.00	15251.00	12848.00	13909.00	9402.00	11166.00	12775.00	13465.00	10019.00	16333.00	13581.00	13900.00	12336.00	12003.00	13176.00	13085.00	12965.00
2-Hydroxyethylphosphonate	15929.00	16914.00	19636.00	15305.00	14696.00	17663.00	15277.00	18573.00	18223.00	16532.00	16270.00	18534.00	18394.00	20336.00	21081.00	16208.00	16772.00	19703.00	19286.00	14824.00	16622.00	19202.00	17981.00	19296.00
C14 H2 N3 O9 S	16175.00	16753.00	12645.00	12868.00	13286.00	13112.00	15165.00	14706.00	1.00	1.00	13192.00	14294.00	14240.00	13798.00	11913.00	13555.00	12096.00	13122.00	12687.00	15291.00	14675.00	12548.00	7928.00	1.00
C12 H4 O10 Esi+0.8990001	25299.00	23001.00	22087.00	16668.00	27109.00	17554.00	23362.00	19846.00	1.00	1.00	19162.00	21184.00	21448.00	13268.00	23569.00	17633.00	13325.00	10368.00	19405.00	20699.00	12794.00	16606.00	8084.00	7205.00
C12 N2 O	14279.00	12570.00	16679.00	15893.00	16199.00	17149.00	13102.00	11017.00	1.00	1.00	11774.00	12705.00	14271.00	13816.00	16693.00	19485.00	20230.00	16468.00	14368.00	16828.00	18332.00	15202.00	14142.00	16377.00
C10 H6 N O14 Esi+0.882	20702.00	17271.00	14017.00	16530.00	19223.00	18921.00	15244.00	13728.00	1.00	1.00	16300.00	15036.00	13650.00	13884.00	15074.00	14438.00	17239.00	15538.00	12496.00	15337.00	15282.00	15987.00	8714.00	9289.00
C33 H3 N	12699.00	10464.00	12812.00	11173.00	11102.00	13066.00	10160.00	12563.00	1.00	1.00	14343.00	7426.00	9211.00	7895.00	13485.00	13962.00	14558.00	12590.00	1.00	7168.00	11981.00	10619.00	7272.00	1.00
C29 H62 Cl N8 O26	9835.00	10581.00	17536.00	13359.00	12267.00	13851.00	13811.00	14517.00	1.00	1.00	11711.00	12264.00	12653.00	13283.00	14124.00	15379.00	14645.00	16437.00	11420.00	10514.00	14454.00	15422.00	8862.00	8900.00
C34 H46 N10 O3	18599.00	18089.00	15908.00	18265.00	16359.00	17335.00	16476.00	17995.00	14519.00	16834.00	15114.00	14331.00	17002.00	14855.00	13779.00	15557.00	16827.00	14903.00	13809.00	15479.00	12027.00	14336.00	16744.00	16688.00
C56 H97 N2	13399.00	14242.00	14091.00	12877.00	14320.00	15217.00	13208.00	13495.00	15178.00	17947.00	16096.00	12345.00	14483.00	13755.00	16481.00	17108.00	13442.00	14015.00	11114.00	14460.00	12034.00	16563.00	15948.00	17071.00
C34 H57 N29	13096.00	11443.00	9807.00	9887.00	10783.00	10887.00	10746.00	12059.00	10259.00	10509.00	11464.00	10692.00	9888.00	9679.00	11507.00	15073.00	11164.00	11437.00	10549.00	12749.00	9140.00	11461.00	13128.00	10503.00
C21 H5 Cl N2 O6 S5	15378.00	20076.00	15272.00	14164.00	16867.00	20880.00	15290.00	14011.00	1.00	1.00	15542.00	15414.00	16486.00	13341.00	16131.00	11352.00	12926.00	15879.00	16642.00	17856.00	16728.00	13882.00	13086.00	14728.00
Murrayanine	18097.00	17617.00	15507.00	18707.00	15788.00	18934.00	17407.00	18994.00	18374.00	19378.00	20180.00	21551.00	18484.00	21548.00	18579.00	18724.00	18068.00	19683.00	17824.00	18890.00	20265.00	20180.00	17414.00	17880.00
C30 H53 N8 O10	12317.00	10909.00	8556.00	13382.00	11598.00	11427.00	11437.00	11100.00	11794.00	10719.00	12091.00	9569.00	10325.00	11442.00	11887.00	11559.00	12263.00	10662.00	10203.00	10071.00	11403.00	9778.00	10685.00	10981.00
C26 H28 N5 O	14184.00	15241.00	14060.00	11593.00	13309.00	14402.00	12511.00	10654.00	17102.00	15753.00	8462.00	9410.00	16893.00	11685.00	10564.00	11591.00	13853.00	14462.00	10797.00	12141.00	13806.00	14039.00	9850.00	11530.00
Succinoadenosine	12385.00	12711.00	9899.00	12978.00	14902.00	14127.00	10061.00	11279.00	1.00	1.00	1.00	9538.00	10391.00	12499.00	12056.00	13383.00	9596.00	13146.00	10647.00	11767.00	13593.00	12578.00	1.00	1.00
C26 H36 N O13	13895.00	12153.00	12213.00	13404.00	11841.00	12928.00	11545.00	10067.00	15387.00	14240.00	12460.00	11755.00	13301.00	12507.00	15160.00	11350.00	11741.00	13580.00	10002.00	10485.00	12464.00	15107.00	14992.00	15112.00
C29 H40 N3 O7	11135.00	12749.00	14863.00	11893.00	9927.00	10156.00	9216.00	13437.00	10872.00	1.00	10008.00	1.00	10378.00	10832.00	10621.00	11108.00	14088.00	13633.00	9879.00	10692.00	11098.00	1.00	10214.00	10027.00
C11 H23 N10 O7	7181.00	6520.00	13643.00	11710.00	11538.00	9111.00	8738.00	8505.00	1.00	1.00	6644.00	8353.00	8506.00	7251.00	8921.00	9446.00	9831.00	10517.00	7772.00	7027.00	8816.00	8011.00	1.00	1.00
C19 H31 N12 O2	14198.00	14978.00	13071.00	15207.00	14341.00	16156.00	19365.00	17438.00	13747.00	15893.00	15039.00	13713.00	17425.00	15002.00	10373.00	14809.00	15763.00	16574.00	13877.00	16732.00	13019.00	14992.00	10540.00	14122.00
Disialosyl galactosyl globoside	11483.00	10812.00	15559.00	13895.00	11847.00	12609.00	13432.00	11884.00	1.00	1.00	12498.00	11727.00	12327.00	11946.00	14853.00	15891.00	15336.00	13632.00	12259.00	9564.00	12630.00	13720.00	9122.00	8796.00
Halaminol A Esi+12.548003	11479.00	10000.00	7396.00	9254.00	8681.00	11104.00	8196.00	8983.00	12231.00	11737.00	15108.00	12517.00	8691.00	11703.00	10391.00	9786.00	6851.00	11047.00	1.00	10624.00	11840.00	12658.00	9035.00	7029.00
Crucigasterin 277	9237.00	10250.00	8154.00	8434.00	8641.00	9373.00	8096.00	13483.00	1.00	12857.00	6996.00	10969.00	8776.00	10837.00	10174.00	8480.00	17430.00	9723.00	7526.00	11844.00	13879.00	15592.00	9996.00	8452.00
C19 N O21	13098.00	13447.00	12006.00	12934.00	14215.00	15851.00	12789.00	10433.00	1.00	1.00	15033.00	15958.00	14858.00	14132.00	11068.00	13884.00	13453.00	11525.00	16073.00	11313.00	11323.00	12511.00	8274.00	7506.00
Zinc protoporphyrin-9	12140.00	15945.00	14870.00	13320.00	15448.00	15735.00	15230.00	13216.00	1.00	1.00	14651.00	13134.00	14436.00	14808.00	13802.00	13731.00	12580.00	12939.00	13242.00	12463.00	13912.00	15304.00	10295.00	7943.00
C15 H10 N2 O16	12948.00	14637.00	11684.00	11005.00	13406.00	13806.00	11055.00	11823.00	1.00	1.00	14008.00	14292.00	11090.00	10231.00	9670.00	10593.00	13165.00	12753.00	9973.00	11379.00	13257.00	12500.00	7123.00	1.00
Allyxycarb	1.00	11990.00	1.00	1.00	14138.00	8905.00	13700.00	16167.00	1.00	1.00	10670.00	12044.00	11428.00	1.00	11941.00	13941.00	10651.00	11855.00	1.00	1.00	1.00	1.00	1.00	7761.00
C50 H100 Cl2 N O2	12982.00	14305.00	14251.00	12478.00	10477.00	12528.00	12936.00	14246.00	1.00	1.00	15407.00	15126.00	12668.00	15362.00	13399.00	12990.00	13510.00	8281.00	15933.00	13516.00	12388.00	13953.00	12007.00	11978.00
C6 H2 N O4 S2	1.00	1.00	1.00	1.00	7605.00	6351.00	6901.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	17003.00	16493.00	1.00	1.00	10973.00	10162.00	1.00	1.00	1.00	1.00
C10 H23 N O	1.00	1.00	11221.00	9237.00	11699.00	15946.00	1.00	1.00	1.00	1.00	6742.00	7405.00	1.00	1.00	1.00	1.00	1.00	1.00	12652.00	14290.00	1.00	1.00	1.00	1.00
C26 H21 N2 S	1.00	1.00	7845.00	6943.00	7679.00	6625.00	9300.00	11360.00	1.00	1.00	6023.00	6588.00	1.00	8989.00	15960.00	16769.00	8898.00	13067.00	8425.00	9006.00	10287.00	9874.00	1.00	1.00
C31 H2 Cl2 N6 O9 S5	16402.00	13305.00	16588.00	15923.00	16523.00	16532.00	13648.00	15720.00	1.00	1.00	15197.00	14876.00	14715.00	12471.00	13883.00	15284.00	14321.00	11279.00	14721.00	15106.00	14993.00	13565.00	9590.00	12878.00
C27 H47 N15 O3 Esi+8.043	41098.00	37747.00	35735.00	39517.00	34417.00	37106.00	35860.00	38929.00	36926.00	35144.00	37787.00	36624.00	34895.00	32413.00	35978.00	31990.00	32863.00	33279.00	36138.00	33687.00	32134.00	33137.00	31524.00	34261.00
C41 H34 N10 O8	12238.00	10495.00	1.00	1.00	8716.00	7557.00	1.00	1.00	14088.00	14625.00	1.00	1.00	1.00	1.00	1.00	1.00	6717.00	7514.00	1.00	1.00	1.00	1.00	1.00	1.00
Diethylstilbestryl disulfate	12030.00	11281.00	13478.00	11004.00	14204.00	12695.00	12284.00	11178.00	14007.00	11240.00	12065.00	10249.00	12746.00	9418.00	12545.00	10202.00	11559.00	10725.00	10026.00	8537.00	13848.00	10539.00	12105.00	9226.00
C16 H8 N2 O5	9913.00	8206.00	12695.00	13197.00	11801.00	13316.00	13485.00	10905.00	1.00	1.00	6385.00	8554.00	10961.00	10571.00	13366.00	12049.00	12619.00	12416.00	9948.00	8602.00	9796.00	9198.00	9832.00	9738.00
C24 H39 N10	9672.00	23130.00	8809.00	11148.00	16608.00	17763.00	19432.00	10862.00	13010.00	11882.00	18831.00	18488.00	21635.00	9258.00	9113.00	1.00	10045.00	17800.00	17174.00	19190.00	17127.00	20476.00	9474.00	11443.00
Neoilludin A Esi+6.4089975 :1	43005.00	63998.00	43507.00	54648.00	77001.00	76625.00	38600.00	43956.00	131249.00	137384.00	54083.00	55400.00	67684.00	72892.00	70355.00	68382.00	123286.00	115467.00	59798.00	71449.00	93374.00	60427.00	76689.00	69298.00
AF-2	11503.00	10835.00	8950.00	8715.00	8203.00	9538.00	10715.00	10947.00	10655.00	10272.00	11080.00	11501.00	8676.00	10062.00	8478.00	9464.00	1.00	1.00	8296.00	8695.00	10329.00	9485.00	7172.00	8171.00
C8 H8 N4 O2 S	13338.00	11382.00	13985.00	12972.00	11575.00	9597.00	13323.00	10846.00	9433.00	9475.00	7512.00	8537.00	8757.00	10389.00	10143.00	10863.00	8143.00	7601.00	13233.00	12890.00	9573.00	11850.00	9305.00	12471.00
C25 H5 Cl3 N4 O12 S5	27838.00	29634.00	23403.00	24189.00	21793.00	25326.00	26986.00	22752.00	1.00	1.00	30468.00	20552.00	25911.00	23538.00	22707.00	21492.00	23054.00	20111.00	28532.00	23770.00	26348.00	24288.00	18502.00	21725.00
N-isopropyl ?,?-dimethylarachidonoyl amine	7046.00	9969.00	9574.00	11226.00	9904.00	12512.00	10851.00	8508.00	10321.00	18609.00	10528.00	9816.00	9428.00	1.00	9922.00	6761.00	7951.00	9039.00	1.00	11678.00	1.00	7992.00	7816.00	9351.00
L-902,688	9283.00	10960.00	12423.00	12237.00	12166.00	11813.00	10797.00	10618.00	1.00	1.00	11881.00	12003.00	10289.00	11540.00	13625.00	12944.00	11915.00	10181.00	10635.00	9320.00	12846.00	11235.00	6721.00	6684.00
C18 H28 N11 O	15955.00	16453.00	11181.00	11648.00	11213.00	11451.00	11823.00	12141.00	15336.00	13400.00	11453.00	10791.00	11100.00	17621.00	12125.00	12746.00	10024.00	10350.00	9885.00	14989.00	8867.00	13235.00	13869.00	13301.00
Thr-Nap-OH Esi+10.945004	28141.00	28138.00	26874.00	28619.00	27471.00	29881.00	26530.00	28990.00	29254.00	31463.00	27170.00	25583.00	26490.00	26007.00	32007.00	27955.00	26544.00	27621.00	28334.00	30460.00	26167.00	27175.00	28067.00	30024.00
C35 H33 N14 O2	17121.00	15180.00	16109.00	14435.00	13470.00	15004.00	13500.00	13933.00	13379.00	14008.00	12298.00	14390.00	12525.00	15474.00	15309.00	14993.00	13834.00	14071.00	13316.00	14606.00	14592.00	14388.00	15371.00	12982.00
(+/-)-6-Acetonyldihydrosanguinarine	10750.00	13690.00	11803.00	11060.00	14112.00	13090.00	12687.00	15550.00	11727.00	13533.00	14322.00	12096.00	11692.00	10107.00	11085.00	13453.00	15286.00	12115.00	11331.00	13290.00	11697.00	14326.00	10057.00	14173.00
4-Hydroxyphenyl-4-hydroxybenzoate	17160.00	17225.00	16316.00	16764.00	12078.00	14483.00	14583.00	13436.00	1.00	1.00	13003.00	12709.00	12816.00	15488.00	15759.00	12725.00	14489.00	14967.00	12662.00	9957.00	17486.00	13765.00	7571.00	7184.00
C5 H6 N2 O5	11895.00	10953.00	10460.00	10244.00	12689.00	13523.00	12477.00	10462.00	1.00	1.00	11914.00	10568.00	10107.00	10377.00	11966.00	17315.00	16672.00	19764.00	11280.00	12701.00	13861.00	14729.00	10959.00	9897.00
C27 H57 N23 O10	7285.00	6886.00	14253.00	12090.00	13719.00	11437.00	6942.00	10408.00	1.00	1.00	12171.00	13037.00	11334.00	10801.00	11411.00	14757.00	13436.00	13327.00	11237.00	10964.00	9530.00	10978.00	7378.00	7277.00
C22 H4 N3 O19	13085.00	14959.00	9188.00	9767.00	12546.00	11726.00	13917.00	14647.00	1.00	1.00	9542.00	10369.00	10018.00	8300.00	9978.00	11764.00	12217.00	11645.00	8316.00	8300.00	10554.00	10460.00	1.00	1.00
PS(P-20:0/0:0)	13984.00	13964.00	13231.00	16325.00	13230.00	13356.00	13910.00	12498.00	13510.00	13633.00	11687.00	16129.00	12871.00	11520.00	12916.00	13318.00	13671.00	12356.00	11060.00	11182.00	14282.00	11681.00	14009.00	10363.00
C39 H59 N19	13564.00	10775.00	1.00	1.00	14941.00	20610.00	16759.00	1.00	17763.00	18806.00	18269.00	12737.00	16444.00	1.00	16252.00	14318.00	15822.00	19689.00	1.00	18678.00	15358.00	1.00	17145.00	9904.00
C19 H27 N18 O2 S2	14539.00	12356.00	12705.00	10348.00	12372.00	12412.00	10308.00	11217.00	11078.00	10927.00	12055.00	11154.00	11797.00	13708.00	11965.00	11918.00	13352.00	10472.00	12927.00	11361.00	13585.00	9675.00	12218.00	12764.00
C17 H8 O20	10751.00	11349.00	9691.00	8611.00	10491.00	9206.00	9971.00	9589.00	1.00	1.00	10674.00	11623.00	9060.00	8671.00	8330.00	8434.00	12903.00	10172.00	9237.00	9274.00	10264.00	10851.00	1.00	1.00
C5 H12 N O6 S2	20646.00	19895.00	30990.00	35428.00	29957.00	34742.00	21829.00	23385.00	1.00	1.00	18939.00	17370.00	26911.00	25168.00	33197.00	30111.00	27591.00	27379.00	22070.00	23106.00	28918.00	26621.00	18465.00	15591.00
C25 N O16 S2	25783.00	24334.00	20490.00	24504.00	22785.00	24010.00	24675.00	22224.00	1.00	1.00	26223.00	22741.00	25795.00	22767.00	18424.00	18682.00	20648.00	19895.00	21562.00	25638.00	23723.00	22707.00	18498.00	19460.00
C11 H26 N3 O13	10008.00	11100.00	10626.00	11910.00	10418.00	10282.00	11810.00	11642.00	10554.00	12645.00	10519.00	9894.00	10067.00	9902.00	10652.00	16548.00	8305.00	10552.00	10070.00	10481.00	11367.00	10133.00	13681.00	13555.00
Crassin Acetate Esi+12.716002	7195.00	12953.00	19393.00	10779.00	10342.00	7830.00	9005.00	9675.00	9622.00	12199.00	14585.00	9435.00	10978.00	10137.00	7575.00	11371.00	9840.00	13261.00	5771.00	13308.00	8315.00	9178.00	10279.00	11634.00
C17 O21 S Esi+0.8430003	26561.00	31000.00	25575.00	24839.00	26999.00	25431.00	29672.00	28384.00	1.00	1.00	21903.00	25197.00	31410.00	27756.00	26868.00	27109.00	25462.00	24096.00	25394.00	28691.00	26527.00	28057.00	14005.00	18588.00
C45 H95 N2	11111.00	10459.00	10904.00	8720.00	10894.00	11210.00	8474.00	9529.00	12904.00	10141.00	10628.00	10548.00	10182.00	8004.00	11576.00	10934.00	10719.00	11269.00	9454.00	8085.00	11083.00	9269.00	12375.00	13095.00
C13 H34 N11 O4 S	18517.00	11785.00	19200.00	14845.00	15579.00	15158.00	12562.00	16175.00	14838.00	14808.00	17485.00	13087.00	7336.00	14147.00	12046.00	14232.00	12270.00	17699.00	15095.00	10704.00	13260.00	10715.00	14012.00	11065.00
C23 H43 N15 O3	9465.00	8360.00	9511.00	9350.00	8451.00	9318.00	13537.00	13713.00	10007.00	8839.00	8220.00	7962.00	8009.00	11250.00	11852.00	7084.00	9928.00	8776.00	9563.00	8945.00	9764.00	8277.00	9814.00	9052.00
C36 H25 N23	17904.00	16228.00	19984.00	17110.00	20891.00	20053.00	16886.00	19187.00	24435.00	21328.00	16816.00	17258.00	18327.00	14832.00	19157.00	19098.00	20638.00	16434.00	17551.00	15607.00	18266.00	20813.00	23271.00	25931.00
C11 H29 N6 O11	10597.00	13789.00	15126.00	15588.00	13217.00	12057.00	9746.00	10960.00	1.00	1.00	12375.00	11651.00	11141.00	11729.00	12256.00	12110.00	10815.00	10952.00	11576.00	9397.00	14608.00	14518.00	7147.00	1.00
C23 H20 N8 O5 S	6179.00	8957.00	9151.00	1.00	10987.00	9216.00	7218.00	10073.00	6443.00	1.00	9472.00	7235.00	6071.00	6490.00	7481.00	10139.00	7279.00	1.00	9401.00	5174.00	7755.00	6847.00	12335.00	5752.00
C24 H43 N6 O7	9512.00	1.00	7544.00	9111.00	8586.00	11451.00	1.00	9762.00	9615.00	1.00	10131.00	12138.00	10428.00	1.00	12780.00	1.00	1.00	8143.00	9930.00	9188.00	10020.00	1.00	11317.00	8539.00
Ser-Nap-OH	11685.00	14350.00	14490.00	12037.00	10663.00	14696.00	11508.00	11386.00	12926.00	14775.00	12359.00	14310.00	15795.00	13134.00	13521.00	13185.00	11196.00	12692.00	13606.00	11385.00	13103.00	15654.00	9516.00	13651.00
C15 H20 N14 O5	13695.00	12346.00	11968.00	10679.00	11352.00	12071.00	12364.00	8817.00	11170.00	12157.00	9192.00	12875.00	10964.00	9818.00	13678.00	10059.00	12036.00	10988.00	10864.00	11400.00	7539.00	10190.00	13257.00	9178.00
C9 H9 N7 O3	7185.00	1.00	10667.00	10349.00	8992.00	8673.00	8407.00	7593.00	1.00	1.00	7328.00	1.00	10352.00	7388.00	9135.00	12320.00	6899.00	7994.00	1.00	1.00	10217.00	9579.00	1.00	1.00
Met Met	9444.00	9935.00	14116.00	13319.00	8957.00	9918.00	7838.00	8602.00	1.00	1.00	1.00	1.00	1.00	7409.00	1.00	1.00	1.00	7624.00	7579.00	10745.00	9127.00	8485.00	10490.00	11122.00
DU 122290	11646.00	10427.00	10848.00	8025.00	10079.00	10023.00	8769.00	8520.00	8977.00	9796.00	8850.00	10305.00	7882.00	10003.00	8971.00	11310.00	8899.00	9046.00	9905.00	10154.00	9598.00	7211.00	10373.00	8400.00
C40 H29 N7 O4	12317.00	12164.00	11434.00	9211.00	12355.00	10582.00	10408.00	7828.00	10705.00	9950.00	9859.00	8884.00	9249.00	9914.00	13599.00	11830.00	15080.00	10541.00	9309.00	10104.00	10272.00	12738.00	13081.00	11874.00
C30 H30 N23	14619.00	13982.00	1.00	1.00	12833.00	14129.00	14145.00	13030.00	13929.00	15825.00	1.00	1.00	12167.00	10243.00	11521.00	1.00	1.00	13573.00	1.00	1.00	12777.00	1.00	10194.00	8790.00
C17 H22 N9 S Esi+11.457	66917.00	69291.00	66411.00	67070.00	64988.00	64279.00	65734.00	68445.00	70626.00	74444.00	62850.00	53029.00	60921.00	55093.00	67521.00	63094.00	76639.00	64601.00	87875.00	83309.00	59976.00	68682.00	64375.00	68210.00
C15 O21 Esi+0.8430003	25734.00	26437.00	24182.00	25870.00	27432.00	26466.00	25971.00	26907.00	1.00	1.00	24834.00	23898.00	24960.00	23464.00	22189.00	23325.00	24268.00	20513.00	25245.00	26680.00	22679.00	26593.00	20995.00	21247.00
C18 H4 N4 O4	12654.00	9067.00	11667.00	12624.00	15326.00	11134.00	10226.00	12721.00	1.00	1.00	9980.00	13338.00	9584.00	7603.00	8420.00	11321.00	9527.00	10316.00	11402.00	10381.00	9588.00	12580.00	1.00	6841.00
C38 H56 N13 O15	9823.00	10397.00	1.00	1.00	8882.00	7840.00	1.00	1.00	11521.00	12691.00	1.00	1.00	1.00	1.00	1.00	1.00	5931.00	6518.00	1.00	1.00	1.00	1.00	1.00	1.00
4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinazoline Esi+3.474999	11921.00	12575.00	10587.00	15471.00	12524.00	11922.00	14219.00	15705.00	1.00	1.00	14685.00	10784.00	24503.00	8977.00	10317.00	26767.00	10619.00	11623.00	10189.00	11880.00	11188.00	9018.00	8938.00	9549.00
C23 H10 N8 O	11597.00	12994.00	14801.00	11710.00	16148.00	10606.00	8196.00	14729.00	12851.00	13971.00	13356.00	14056.00	10586.00	12819.00	13725.00	13216.00	11983.00	10835.00	13210.00	12741.00	10567.00	10381.00	10360.00	11387.00
Dihydro-7-Desacetyldeoxygedunin	47593.00	37884.00	41386.00	37076.00	34235.00	30802.00	36371.00	31263.00	39281.00	37093.00	33712.00	37719.00	33549.00	94059.00	36287.00	47611.00	28010.00	25732.00	28413.00	38121.00	31502.00	27138.00	33328.00	89677.00
C3 H5 O2 S Esi+0.80400026	41173.00	40849.00	20395.00	25418.00	41151.00	45545.00	32478.00	43239.00	19985.00	20388.00	27558.00	36469.00	37640.00	38078.00	13374.00	17805.00	26440.00	20507.00	45236.00	44176.00	24139.00	20584.00	30102.00	28105.00
Lys Trp Asp	10595.00	11855.00	10031.00	10677.00	11601.00	10139.00	12227.00	12162.00	8415.00	10128.00	8796.00	10745.00	10370.00	9583.00	10249.00	10810.00	1.00	10162.00	9687.00	10127.00	10599.00	9474.00	10508.00	9274.00
C20 H23 N17 O8	8738.00	1.00	1.00	1.00	7113.00	1.00	1.00	1.00	1.00	6166.00	1.00	1.00	1.00	1.00	1.00	6517.00	9549.00	8204.00	1.00	1.00	1.00	6635.00	1.00	1.00
C16 Sphinganine	10684.00	10347.00	9899.00	12237.00	12073.00	10533.00	10678.00	9393.00	12251.00	12218.00	13043.00	10312.00	10569.00	1.00	7221.00	12409.00	8723.00	12239.00	9002.00	10391.00	10919.00	10411.00	12774.00	11651.00
C13 H2 N2 O17	20808.00	21576.00	20133.00	22221.00	20284.00	20575.00	19682.00	18828.00	1.00	1.00	20832.00	17964.00	20203.00	20357.00	18704.00	16994.00	17490.00	16232.00	18673.00	16779.00	19507.00	20044.00	15133.00	19654.00
Tecostanine	9483.00	9875.00	14937.00	11403.00	8494.00	9767.00	14338.00	15292.00	1.00	1.00	1.00	1.00	1.00	1.00	14002.00	10815.00	1.00	8571.00	9330.00	8256.00	11584.00	10124.00	1.00	6888.00
C19 H4 O18	9528.00	11308.00	11886.00	10796.00	12057.00	10892.00	9950.00	10809.00	1.00	1.00	11215.00	12728.00	10027.00	9328.00	8205.00	9148.00	9100.00	9974.00	9555.00	11115.00	10252.00	11426.00	1.00	1.00
C6 H2 N O9 S2 Esi+0.91300005	41258.00	48369.00	46610.00	41178.00	55838.00	47963.00	51684.00	43121.00	1.00	1.00	46155.00	48638.00	51920.00	53400.00	40529.00	35881.00	36147.00	28676.00	48046.00	43561.00	51662.00	57568.00	24646.00	30843.00
4-Carboxy-2-oxo-3-hexenedioate	13572.00	13182.00	12105.00	13543.00	10132.00	9411.00	7545.00	11066.00	1.00	1.00	7252.00	9338.00	10008.00	11317.00	12292.00	12966.00	8993.00	8751.00	8622.00	9339.00	9389.00	10640.00	1.00	1.00
Anhydroeschscholtzxanthin Esi+14.1849985	40029.00	41766.00	29980.00	43274.00	42996.00	34565.00	40064.00	33334.00	40335.00	39064.00	38411.00	34917.00	37731.00	39348.00	39376.00	38436.00	37516.00	39983.00	39324.00	37519.00	38282.00	37287.00	38161.00	36673.00
C39 H77 N4 O15 S	12335.00	13767.00	10359.00	12157.00	11791.00	13430.00	11875.00	13438.00	11824.00	13037.00	9390.00	12776.00	9565.00	12590.00	10892.00	10434.00	10176.00	9841.00	12444.00	9897.00	10086.00	10423.00	10324.00	11175.00
C17 H8 N4 O18	11889.00	10274.00	7250.00	8017.00	8871.00	8641.00	10156.00	10277.00	1.00	1.00	1.00	9777.00	8497.00	11305.00	9205.00	9707.00	10464.00	9911.00	8703.00	8143.00	9034.00	8390.00	1.00	1.00
Mycosporine Esi+1.5940003	16100.00	36186.00	28258.00	26279.00	31836.00	36215.00	26280.00	32238.00	1.00	1.00	24028.00	26735.00	27089.00	27563.00	43343.00	46604.00	39012.00	34537.00	29222.00	30058.00	34934.00	32293.00	14392.00	14552.00
C21 H2 N2 O19 S2	9692.00	10995.00	11167.00	7241.00	10931.00	8065.00	8309.00	8181.00	1.00	1.00	9379.00	7442.00	8610.00	8494.00	1.00	1.00	1.00	10569.00	1.00	6777.00	7840.00	7594.00	1.00	1.00
Molybdenum cofactor (sulfide)	12243.00	10759.00	10128.00	8901.00	10025.00	9528.00	8489.00	10283.00	10408.00	8744.00	9682.00	8898.00	10808.00	10645.00	10610.00	10394.00	8426.00	9515.00	11948.00	8185.00	8176.00	7735.00	9410.00	9606.00
C13 H4 Cl2 N4 O4 S5 Esi+0.87299985	23285.00	22511.00	13642.00	13464.00	18348.00	23627.00	21550.00	16243.00	7558.00	1.00	23080.00	19148.00	24678.00	22498.00	16762.00	13085.00	16390.00	15346.00	24768.00	25972.00	20214.00	15170.00	23140.00	16775.00
Capsi-amide Esi+12.294999	1.00	8511.00	9950.00	1.00	7356.00	1.00	1.00	10885.00	6327.00	7298.00	8074.00	12359.00	12560.00	7110.00	12582.00	1.00	7084.00	8505.00	10967.00	9148.00	6875.00	6498.00	6305.00	5714.00
Calcein AM	7328.00	7752.00	11919.00	11059.00	10097.00	9930.00	9142.00	8600.00	1.00	1.00	11621.00	8766.00	10062.00	9202.00	10961.00	11304.00	11405.00	11040.00	7735.00	7039.00	10473.00	10145.00	7280.00	6609.00
C27 H29 N19	13159.00	10186.00	11238.00	8701.00	10516.00	10217.00	10394.00	9899.00	11491.00	11127.00	12260.00	8824.00	10959.00	10347.00	9955.00	11290.00	9853.00	7042.00	9704.00	9384.00	9241.00	8827.00	8429.00	8039.00
C47 H85 N16 O	15363.00	17861.00	11947.00	14901.00	21622.00	17032.00	18282.00	16277.00	1.00	1.00	16049.00	19194.00	16220.00	13836.00	14065.00	13884.00	16087.00	14489.00	19204.00	19013.00	14172.00	13662.00	12922.00	11094.00
N,N'-Diacetylchitobiosyldiphosphodolichol	8100.00	9901.00	10345.00	9529.00	13444.00	9602.00	11219.00	10442.00	1.00	1.00	11802.00	9349.00	9527.00	9508.00	12545.00	9009.00	9467.00	10543.00	1.00	9308.00	12222.00	1.00	12995.00	1.00
C16 H10 N O2 S Esi+11.882	10144.00	8891.00	8885.00	9892.00	9248.00	8006.00	9126.00	8849.00	9498.00	8246.00	10229.00	9003.00	9016.00	8007.00	9495.00	7817.00	8556.00	7248.00	7456.00	7122.00	10642.00	1.00	12077.00	6012.00
Bisindolylmaleimide I Esi+10.24	27958.00	23089.00	14781.00	15580.00	22335.00	22630.00	14562.00	13510.00	23140.00	24735.00	13703.00	12688.00	16501.00	18999.00	14644.00	16028.00	21535.00	21070.00	12752.00	11260.00	15705.00	12518.00	12273.00	10470.00
Triciribine Esi+6.4089975	52795.00	53054.00	38719.00	39174.00	66366.00	62994.00	29323.00	34144.00	109678.00	117303.00	44142.00	51116.00	62747.00	64538.00	61270.00	58111.00	101996.00	96279.00	56873.00	59584.00	84758.00	85241.00	66630.00	65901.00
XE991	13144.00	14562.00	8288.00	9798.00	9548.00	9372.00	8638.00	7111.00	1.00	1.00	9472.00	8137.00	9548.00	8128.00	13262.00	11728.00	11717.00	8624.00	9869.00	9849.00	11130.00	10047.00	1.00	1.00
Ammelide	22540.00	24731.00	28481.00	34328.00	28649.00	25004.00	23115.00	21053.00	1.00	1.00	22783.00	19072.00	22115.00	19968.00	39109.00	33426.00	27068.00	30729.00	20264.00	21888.00	32442.00	34714.00	13519.00	12610.00
C26 H17 N17 O3	544243.00	512518.00	27009.00	1.00	88262.00	101397.00	49056.00	59725.00	34911.00	35496.00	1.00	1.00	152196.00	149548.00	334349.00	320691.00	140751.00	157703.00	40439.00	40388.00	65028.00	63924.00	106129.00	142422.00
C60 H59 N3	9781.00	12890.00	13269.00	11548.00	12168.00	9764.00	12666.00	13343.00	9635.00	10305.00	10500.00	11596.00	11939.00	10396.00	9131.00	10850.00	8492.00	11995.00	9922.00	9909.00	10529.00	11788.00	11709.00	12860.00
C18 H18 N6 O10	12092.00	12112.00	1.00	6651.00	8761.00	7060.00	9821.00	6886.00	1.00	1.00	7814.00	6094.00	6180.00	5959.00	1.00	1.00	7745.00	1.00	6538.00	8869.00	1.00	7334.00	1.00	1.00
C25 H5 Cl3 N4 O9 S3 Esi+0.8400001	24697.00	23373.00	22101.00	24381.00	22478.00	24584.00	25820.00	23394.00	1.00	1.00	27798.00	25824.00	23205.00	24173.00	19715.00	21777.00	21680.00	23701.00	24633.00	26500.00	22875.00	23116.00	20519.00	19983.00
Deoxykhivorin	12664.00	10392.00	1.00	1.00	13880.00	1.00	12051.00	12232.00	11275.00	10497.00	1.00	1.00	1.00	9358.00	1.00	1.00	10578.00	1.00	1.00	1.00	7871.00	9475.00	9323.00	1.00
C42 H91 N15 O	18394.00	19575.00	17718.00	19466.00	22493.00	20614.00	19371.00	17494.00	1.00	1.00	20544.00	21711.00	19807.00	19971.00	17215.00	18440.00	18384.00	17251.00	19782.00	20714.00	18873.00	19319.00	16448.00	18960.00
C24 H39 N10 Esi+6.7940016	9198.00	14951.00	11622.00	12679.00	10308.00	21907.00	12226.00	11418.00	12505.00	10939.00	11138.00	20252.00	10274.00	10190.00	10404.00	10436.00	10909.00	21275.00	10117.00	25976.00	10266.00	10385.00	9298.00	10918.00
C13 H29 N4	12460.00	17923.00	17921.00	12969.00	24246.00	11387.00	15334.00	11766.00	1.00	10615.00	9021.00	14074.00	11729.00	13085.00	10705.00	10948.00	12282.00	15892.00	11063.00	14002.00	15405.00	8655.00	15107.00	14022.00
C13 H8 N2 O Esi+4.240999	14730.00	15306.00	11770.00	11832.00	12753.00	14182.00	12064.00	10833.00	10623.00	11698.00	9770.00	9576.00	11480.00	13336.00	8551.00	13695.00	14157.00	11071.00	18291.00	17167.00	7913.00	1.00	7583.00	8047.00
C26 H29 N18 O13	11134.00	11415.00	1.00	1.00	6742.00	7704.00	1.00	1.00	12544.00	12957.00	1.00	1.00	1.00	1.00	1.00	1.00	6191.00	6947.00	1.00	1.00	1.00	1.00	1.00	1.00
C23 H32 N11 O3	14502.00	17336.00	19368.00	16748.00	19025.00	17327.00	19352.00	15172.00	14928.00	17909.00	13186.00	14206.00	19298.00	18414.00	13681.00	1.00	19152.00	13400.00	15278.00	19304.00	16235.00	15960.00	16754.00	14571.00
C13 H4 N2 O5 S	10329.00	11504.00	14290.00	13869.00	11094.00	10196.00	12632.00	11045.00	11596.00	14057.00	12756.00	12947.00	15156.00	12373.00	12228.00	13947.00	13189.00	13369.00	13204.00	1.00	12942.00	11568.00	11294.00	13658.00
C36 H57 N22 O4	9224.00	10889.00	9839.00	8278.00	7658.00	8980.00	8481.00	7764.00	8324.00	7265.00	8829.00	8748.00	8100.00	6801.00	13933.00	12194.00	9158.00	9388.00	9099.00	8429.00	8223.00	7504.00	9182.00	7595.00
C20 H48 N13 O8	9815.00	8524.00	9432.00	9192.00	9675.00	9619.00	11404.00	7202.00	9163.00	10687.00	8185.00	7715.00	7722.00	1.00	13756.00	12532.00	7595.00	10642.00	11183.00	12658.00	6937.00	7985.00	8265.00	8683.00
C17 H43 N16 O7 Esi+6.0189986	55781.00	50871.00	47371.00	47774.00	47190.00	41202.00	42724.00	53229.00	51166.00	39162.00	48175.00	43639.00	49064.00	43769.00	49195.00	53116.00	48317.00	43346.00	45904.00	48219.00	46644.00	44381.00	44496.00	50959.00
C18 O20 S	11168.00	15271.00	12305.00	11969.00	13306.00	15928.00	14810.00	17137.00	1.00	1.00	12783.00	14330.00	16852.00	12191.00	16612.00	12388.00	10729.00	12607.00	14502.00	11890.00	11820.00	11365.00	1.00	1.00
Ketoconazole Metabolite (Piperazine, 1-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl	7891.00	8956.00	10903.00	10049.00	9022.00	8263.00	8525.00	9579.00	1.00	1.00	9063.00	9950.00	10445.00	8864.00	11028.00	10472.00	11217.00	11234.00	8218.00	8364.00	11332.00	11114.00	7588.00	7014.00
C26 H24 N24 O7	9296.00	7661.00	1.00	1.00	6204.00	6826.00	1.00	1.00	12262.00	9655.00	1.00	1.00	1.00	1.00	1.00	1.00	6056.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C6 H3 N3 O	23223.00	25125.00	15260.00	15065.00	15954.00	15398.00	21829.00	17535.00	1.00	1.00	1.00	1.00	1.00	1.00	16392.00	14616.00	19648.00	20326.00	1.00	10440.00	12434.00	13177.00	1.00	9187.00
C14 H2 N4 O3 S	10201.00	8504.00	8444.00	10890.00	9902.00	8832.00	7900.00	8334.00	1.00	1.00	6442.00	1.00	10289.00	10675.00	9312.00	8520.00	9391.00	9580.00	7562.00	7766.00	6372.00	7898.00	1.00	1.00
C14 H15 N4 O4	81056.00	79192.00	74752.00	77834.00	79958.00	78839.00	71475.00	80684.00	78735.00	82367.00	80384.00	75468.00	72409.00	69951.00	78552.00	78581.00	77666.00	72087.00	70736.00	71688.00	75833.00	72604.00	73390.00	76148.00
Neoilludin A Esi+6.192001	74815.00	82537.00	67269.00	70681.00	105127.00	101424.00	45577.00	56415.00	188844.00	211799.00	75392.00	78837.00	107113.00	105908.00	91248.00	100109.00	168716.00	172753.00	95346.00	102859.00	139899.00	141349.00	115940.00	121554.00
C35 H35	13234.00	12105.00	10025.00	7304.00	6983.00	11217.00	8757.00	9591.00	11438.00	8934.00	8344.00	7602.00	10865.00	1.00	10486.00	12474.00	9248.00	11017.00	10434.00	1.00	1.00	1.00	8372.00	15284.00
1-O-Acetyllycorine	12033.00	12243.00	9372.00	9147.00	11897.00	11710.00	9099.00	10602.00	1.00	1.00	1.00	8569.00	8816.00	11572.00	11885.00	12961.00	12812.00	1.00	10989.00	10432.00	12719.00	12128.00	1.00	1.00
C22 H51 N21 O2 S Esi+8.093001	33719.00	33574.00	31563.00	35128.00	32261.00	31376.00	31110.00	31524.00	30251.00	27953.00	36013.00	29816.00	30645.00	31372.00	28238.00	31713.00	32575.00	27881.00	28920.00	31972.00	27283.00	33645.00	28472.00	25655.00
C19 H45 N18 O3 S	43503.00	43464.00	39582.00	40357.00	36810.00	34994.00	40284.00	41547.00	37227.00	39474.00	41105.00	39045.00	39920.00	34436.00	34611.00	45848.00	42010.00	42070.00	42332.00	39897.00	38446.00	38873.00	40185.00	40265.00
C19 H8 N5 O3	9765.00	12554.00	14783.00	11671.00	16704.00	12656.00	9733.00	13264.00	11278.00	10317.00	18593.00	10119.00	12352.00	10183.00	12665.00	12711.00	10457.00	10881.00	10444.00	11559.00	12931.00	11687.00	25674.00	9747.00
Bisindolylmaleimide I Esi+10.240001	19250.00	17018.00	13441.00	12121.00	13389.00	15359.00	1.00	1.00	18533.00	19930.00	9704.00	9652.00	12376.00	13552.00	11374.00	11832.00	14577.00	17150.00	9903.00	8569.00	13701.00	9877.00	9461.00	9539.00
C49 H87 N O18	12378.00	12993.00	13077.00	10918.00	11829.00	11489.00	12241.00	10034.00	10979.00	11750.00	8562.00	11738.00	9906.00	10720.00	11431.00	9148.00	9038.00	10805.00	10607.00	9962.00	11088.00	11207.00	10939.00	9536.00
9-O-Demethyl-2alpha-hydroxyhomolycorine	8976.00	9661.00	8695.00	11142.00	7114.00	9230.00	8221.00	10324.00	9246.00	8691.00	8036.00	8763.00	9856.00	7844.00	7649.00	8342.00	10491.00	10890.00	8498.00	1.00	9718.00	7738.00	9941.00	7849.00
C39 H79 N8 O9	36450.00	38143.00	29759.00	20827.00	38571.00	43391.00	22767.00	13672.00	47780.00	37793.00	1.00	27650.00	13882.00	19062.00	25322.00	33680.00	38359.00	36344.00	14656.00	13593.00	17636.00	25606.00	15967.00	26088.00
C46 H67 N19 O2	11261.00	1.00	9545.00	9682.00	10252.00	11437.00	10098.00	12466.00	8259.00	9381.00	10173.00	9203.00	9543.00	11868.00	11226.00	7764.00	9164.00	9497.00	11197.00	10218.00	8561.00	9315.00	1.00	9789.00
C13 H4 O13	29892.00	33613.00	30839.00	28913.00	35518.00	39220.00	15793.00	38835.00	7712.00	8074.00	17462.00	34275.00	37049.00	33285.00	48825.00	15819.00	32837.00	35075.00	38231.00	43546.00	19079.00	37389.00	22997.00	27059.00
C25 H12 N5 O2	30063.00	28755.00	33688.00	28791.00	29090.00	30438.00	25697.00	30727.00	29403.00	32941.00	29461.00	28363.00	9810.00	25548.00	30167.00	27829.00	31809.00	28386.00	32301.00	32447.00	29086.00	27156.00	25943.00	28334.00
C26 H47 N15 O5 Esi+6.1959996	47005.00	42555.00	37512.00	40051.00	35749.00	40575.00	34582.00	40699.00	37456.00	35840.00	38748.00	38155.00	39800.00	40184.00	44546.00	43692.00	40377.00	39044.00	40482.00	41875.00	37186.00	38784.00	39150.00	45252.00
Asn Lys Trp	6699.00	1.00	10758.00	9295.00	9759.00	7337.00	1.00	1.00	1.00	1.00	1.00	1.00	7375.00	7620.00	14206.00	13238.00	10892.00	13204.00	1.00	1.00	9594.00	9417.00	1.00	1.00
Thr-Nap-OH Esi+11.194	8944.00	10913.00	1.00	12073.00	13479.00	12263.00	13537.00	13323.00	10446.00	11362.00	12104.00	11111.00	11545.00	10273.00	12638.00	12511.00	11646.00	9606.00	12656.00	8377.00	9720.00	12432.00	10668.00	10345.00
Adifoline Esi+10.390001	27586.00	19761.00	24067.00	26242.00	25185.00	22270.00	19944.00	27295.00	22839.00	30877.00	23092.00	26239.00	24369.00	24595.00	26623.00	22102.00	24523.00	19879.00	30793.00	26305.00	24131.00	30079.00	26776.00	21339.00
farnesyl triphosphate	10159.00	12391.00	12628.00	10021.00	10498.00	10106.00	10853.00	8980.00	10305.00	10653.00	12027.00	11063.00	10947.00	10766.00	11340.00	10736.00	10613.00	12354.00	11377.00	12065.00	11585.00	12533.00	8125.00	9227.00
C17 H21 N18 O4	6917.00	6993.00	5803.00	1.00	6956.00	7521.00	1.00	1.00	7994.00	11434.00	1.00	1.00	1.00	1.00	1.00	6114.00	6332.00	7840.00	1.00	1.00	1.00	1.00	1.00	1.00
C34 H42 N17	11911.00	9840.00	11679.00	9940.00	11596.00	12693.00	12298.00	11935.00	14612.00	11462.00	10931.00	12048.00	1.00	10332.00	13784.00	15066.00	12003.00	1.00	1.00	15169.00	11918.00	12066.00	10675.00	9044.00
Jervine Esi+5.658998 :2	33997.00	29893.00	34065.00	32373.00	34276.00	33395.00	33923.00	24843.00	35487.00	31909.00	31626.00	31865.00	27505.00	29291.00	30555.00	27128.00	29690.00	30249.00	30249.00	29387.00	30440.00	31613.00	31902.00	28079.00
C42 H53 O4	11642.00	7680.00	8467.00	9337.00	10205.00	11668.00	15025.00	15561.00	9120.00	8906.00	8792.00	8764.00	8575.00	9769.00	10655.00	11094.00	10297.00	8652.00	7536.00	10347.00	8519.00	9857.00	8218.00	9567.00
C15 H43 N14 O6 S	12253.00	12721.00	12892.00	13034.00	13229.00	14171.00	13392.00	13645.00	17760.00	13349.00	12832.00	13110.00	13064.00	12021.00	11663.00	13045.00	17211.00	16276.00	12662.00	12474.00	14030.00	13542.00	14040.00	1.00
Tauroursodeoxycholic acid	11473.00	9809.00	10715.00	7792.00	10472.00	11282.00	7493.00	9849.00	9717.00	9710.00	7725.00	12046.00	8794.00	11516.00	10639.00	9819.00	10142.00	1.00	1.00	8775.00	9418.00	1.00	9982.00	1.00
C4 H2 N2 O	8315.00	9058.00	6457.00	1.00	7213.00	6382.00	1.00	7314.00	1.00	1.00	1.00	1.00	1.00	1.00	7124.00	1.00	8774.00	9392.00	7605.00	13911.00	7491.00	10105.00	1.00	1.00
C18 H14 N3 O4	19179.00	23458.00	17422.00	20862.00	29965.00	46242.00	17216.00	18655.00	62135.00	64692.00	27484.00	24299.00	36345.00	34064.00	34125.00	38751.00	51534.00	51990.00	27552.00	31096.00	49138.00	48396.00	42966.00	40399.00
DAF-2 diacetate Esi+13.641999	1.00	14029.00	42469.00	42287.00	12405.00	1.00	12862.00	1.00	1.00	1.00	10732.00	1.00	1.00	1.00	1.00	10803.00	1.00	1.00	8143.00	1.00	1.00	1.00	12804.00	1.00
C28 H26 N17 O11	7921.00	9193.00	1.00	1.00	6464.00	1.00	1.00	1.00	9544.00	10354.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	6114.00	1.00	1.00	1.00	1.00	1.00	1.00
Streptidine Esi+0.9669996	577501.00	567612.00	387655.00	387555.00	428398.00	420564.00	367654.00	358675.00	31076.00	30774.00	237623.00	228674.00	250392.00	253010.00	1015892.00	1019068.00	661514.00	668985.00	465741.00	458854.00	562445.00	567105.00	206132.00	221115.00
C18 O23	16255.00	17092.00	15884.00	14334.00	17151.00	16335.00	17346.00	15252.00	1.00	1.00	15588.00	16260.00	16637.00	14354.00	14045.00	14337.00	15796.00	14317.00	14703.00	16761.00	16561.00	13547.00	13110.00	14004.00
Adifoline Esi+10.390001 :1	27179.00	20223.00	25434.00	24395.00	27119.00	23962.00	19955.00	26327.00	22836.00	27245.00	23092.00	24656.00	24517.00	24779.00	26638.00	22104.00	18180.00	19879.00	29018.00	26616.00	24020.00	29902.00	26723.00	21376.00
C19 H8 N O20 S	9859.00	8636.00	6664.00	9179.00	9240.00	8197.00	7784.00	9268.00	1.00	1.00	9569.00	9548.00	8678.00	6683.00	8342.00	7255.00	7546.00	8061.00	1.00	8255.00	1.00	7738.00	1.00	1.00
C51 H95 N12 O	7952.00	7388.00	7330.00	1.00	8802.00	6768.00	8445.00	7883.00	7931.00	7368.00	6907.00	7922.00	7780.00	8212.00	1.00	7038.00	8106.00	1.00	6957.00	1.00	1.00	1.00	11190.00	9754.00
C47 H29 N O3	1.00	1.00	6695.00	1.00	7466.00	1.00	1.00	1.00	1.00	1.00	8496.00	1.00	1.00	1.00	7101.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10425.00	1.00
C23 H47 N2 O S	41453.00	46024.00	40582.00	37260.00	28618.00	34297.00	30426.00	28833.00	37844.00	26774.00	37346.00	29432.00	34278.00	30874.00	28724.00	37437.00	29163.00	32647.00	26369.00	31523.00	33899.00	38200.00	34172.00	36915.00
Thr-Nap-OH Esi+11.194 :1	8944.00	10913.00	1.00	12098.00	12549.00	12263.00	13688.00	13265.00	10447.00	10826.00	12458.00	11124.00	10139.00	10208.00	12638.00	12511.00	11386.00	9606.00	12572.00	8377.00	9725.00	12432.00	10668.00	10345.00
C22 Sulfatide Esi+12.283998	15921.00	19051.00	15139.00	14720.00	23784.00	18282.00	11689.00	11291.00	18909.00	20557.00	12905.00	13863.00	13128.00	12232.00	7672.00	7937.00	19001.00	19056.00	13891.00	17837.00	14799.00	18366.00	14630.00	14179.00
C32 H26 N9 O2	11670.00	10554.00	1.00	1.00	12471.00	1.00	1.00	1.00	1.00	11710.00	1.00	1.00	1.00	1.00	1.00	1.00	10082.00	9828.00	1.00	1.00	1.00	1.00	1.00	1.00
C19 H47 N16 O8 Esi+6.1390023	40196.00	32600.00	23890.00	28000.00	32729.00	23956.00	30140.00	33795.00	31207.00	31717.00	35838.00	28846.00	30967.00	31810.00	40116.00	36178.00	33605.00	28999.00	36294.00	29536.00	33634.00	33143.00	28762.00	34902.00
Nilutamide	9053.00	7969.00	9245.00	8399.00	8528.00	9251.00	7954.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	11112.00	10590.00	1.00	8958.00	1.00	1.00	8224.00	11214.00	1.00	1.00
C22 H3 Cl3 N6 O12 S2	1.00	13644.00	11687.00	1.00	13087.00	12212.00	9618.00	13419.00	1.00	1.00	13485.00	11637.00	12750.00	10509.00	1.00	1.00	1.00	1.00	11207.00	11254.00	10827.00	9962.00	9153.00	9391.00
C17 H47 N14 O7 S	12919.00	12022.00	1.00	12130.00	14067.00	1.00	13691.00	10604.00	11776.00	10399.00	12471.00	11595.00	10688.00	11359.00	12549.00	10350.00	13568.00	10090.00	10640.00	1.00	1.00	11714.00	12312.00	1.00
C55 H101 N3 O6	11240.00	1.00	9968.00	8850.00	9388.00	9813.00	9244.00	1.00	10602.00	10656.00	9838.00	8888.00	10023.00	10906.00	9379.00	10213.00	10734.00	9415.00	7718.00	9171.00	10425.00	11436.00	13799.00	12377.00
C8 H6 N7 O	19812.00	27628.00	26639.00	24885.00	22549.00	29267.00	13656.00	7460.00	1.00	1.00	1.00	1.00	18977.00	1.00	21110.00	21754.00	13950.00	12315.00	1.00	1.00	10243.00	18407.00	1.00	1.00
C28 H46 N3 O14	7160.00	6702.00	7782.00	6812.00	6965.00	7025.00	7666.00	8495.00	1.00	6774.00	8414.00	7457.00	6197.00	7166.00	1.00	1.00	7063.00	7362.00	6611.00	1.00	6319.00	7863.00	7234.00	1.00
?-Rhodomycinone	36678.00	37255.00	37843.00	38850.00	36341.00	39210.00	42636.00	40460.00	39727.00	42538.00	38741.00	13592.00	35889.00	32823.00	39078.00	39661.00	39179.00	38094.00	38585.00	39000.00	40701.00	38898.00	40113.00	40082.00
C21 H20 N12 O12 Esi+10.393002	32898.00	32474.00	21825.00	19488.00	33378.00	31668.00	18618.00	19278.00	1.00	73060.00	1.00	8033.00	43766.00	46197.00	36434.00	36151.00	27149.00	22861.00	13314.00	14548.00	20517.00	1.00	22702.00	1.00
C12 H4 O10 Esi+0.903	10513.00	12350.00	6844.00	1.00	10281.00	9813.00	10055.00	9840.00	1.00	1.00	8972.00	10312.00	9624.00	8831.00	6909.00	10752.00	8968.00	6652.00	7773.00	9263.00	1.00	1.00	1.00	1.00
C31 H20 N8 O	6959.00	1.00	9151.00	1.00	8621.00	1.00	8162.00	7167.00	6602.00	7661.00	7795.00	6010.00	6746.00	6863.00	8536.00	1.00	1.00	1.00	1.00	1.00	7472.00	6538.00	9226.00	1.00
C23 H4 Cl2 N3 O21 S5	1.00	14739.00	13145.00	11008.00	13042.00	11898.00	11663.00	12478.00	1.00	1.00	9914.00	12724.00	11203.00	11088.00	12436.00	1.00	10520.00	11026.00	10299.00	10072.00	10825.00	8246.00	11206.00	9170.00
Tauroursocholic acid Esi+5.0339985	1.00	46929.00	51148.00	48019.00	44339.00	44116.00	49954.00	50895.00	50683.00	45793.00	50189.00	46230.00	51743.00	45558.00	45276.00	50362.00	46393.00	45194.00	45148.00	44219.00	48607.00	51196.00	52528.00	46338.00
C41 H47 O3	7988.00	6976.00	1.00	1.00	8406.00	7169.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	7584.00	1.00	1.00	1.00	9089.00	1.00	7481.00	1.00	1.00	1.00	7664.00
C16 H39 N18 O4	1.00	8097.00	7384.00	7643.00	8015.00	1.00	6721.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	8076.00	7835.00	1.00	1.00	7450.00	1.00	1.00
C31 H2 Cl2 N6 O9 S5 Esi+0.8400001	15717.00	13305.00	14596.00	14553.00	15325.00	15965.00	13492.00	15863.00	1.00	1.00	13770.00	14072.00	13861.00	12471.00	13076.00	14011.00	12912.00	11279.00	13705.00	14284.00	13917.00	13565.00	10044.00	11802.00
C18 H5 Cl3 N2 O10 S	19791.00	20555.00	1.00	1.00	22308.00	25900.00	19512.00	26133.00	25871.00	24558.00	22263.00	24494.00	21458.00	20656.00	1.00	1.00	1.00	1.00	28854.00	25293.00	9536.00	9122.00	18581.00	19583.00
C23 H53 N18 O5 S	25580.00	17610.00	16605.00	19524.00	18045.00	12646.00	21404.00	24210.00	17541.00	22624.00	19833.00	18243.00	19593.00	16558.00	26200.00	22944.00	15883.00	21018.00	18349.00	10991.00	22675.00	18270.00	17822.00	22221.00
C34 H65 N15 O2	1.00	68558.00	1.00	49553.00	232795.00	96853.00	41081.00	1.00	1.00	1.00	12508.00	1.00	1.00	57973.00	46281.00	67588.00	92138.00	1.00	12719.00	25036.00	47645.00	65236.00	1.00	1.00
C43 H79 N22	115926.00	117398.00	112047.00	109951.00	118059.00	123284.00	122465.00	117751.00	115619.00	126207.00	113309.00	136082.00	118304.00	102279.00	126711.00	116873.00	133742.00	105933.00	98394.00	120953.00	117737.00	109907.00	117837.00	99985.00
C24 H13 N11 Esi+10.945004	20377.00	11422.00	13953.00	19619.00	21044.00	16577.00	21194.00	10908.00	15305.00	19344.00	21045.00	17313.00	29058.00	9827.00	17919.00	18225.00	19820.00	12788.00	14051.00	16391.00	19522.00	19697.00	17268.00	19175.00
C15 H3 N5 O2	7866.00	9272.00	1.00	1.00	13441.00	13396.00	12326.00	13395.00	1.00	1.00	14532.00	12927.00	11019.00	10365.00	1.00	1.00	1.00	1.00	14875.00	14888.00	1.00	1.00	1.00	1.00
C19 H4 N O2	10760.00	11235.00	24100.00	19388.00	28037.00	30348.00	23310.00	26908.00	1.00	1.00	22422.00	24025.00	22482.00	22302.00	25329.00	23523.00	26711.00	26464.00	11218.00	9737.00	24287.00	22774.00	11867.00	10913.00
C24 H13 N11 Esi+10.944	20637.00	14505.00	13748.00	19629.00	23588.00	18991.00	21180.00	11114.00	17704.00	14536.00	19120.00	18397.00	28116.00	17030.00	18703.00	16693.00	20471.00	13235.00	12422.00	18143.00	19846.00	20192.00	17482.00	18729.00
Tauroursocholic acid Esi+5.0329995	69709.00	57597.00	60791.00	58272.00	54473.00	55712.00	63513.00	51859.00	65406.00	62563.00	55413.00	56103.00	52363.00	57610.00	57017.00	63346.00	56693.00	56055.00	63501.00	55212.00	57863.00	58715.00	51182.00	53857.00
C37 H75 N8 O9 Esi+12.087003	13914.00	16716.00	13714.00	17731.00	14466.00	24488.00	14441.00	18773.00	13197.00	16834.00	17274.00	17941.00	12818.00	14765.00	17145.00	13176.00	15608.00	13084.00	13506.00	22858.00	15397.00	16491.00	16202.00	13703.00
Cacodylic Acid	262087.00	253665.00	1.00	1.00	1.00	1.00	7505.00	1.00	47386.00	47464.00	1.00	1.00	8566.00	11349.00	17538.00	13976.00	10849.00	10724.00	12666.00	12423.00	1.00	1.00	1.00	1.00
C43 H63 N5 O3	85848.00	91613.00	1.00	1.00	1.00	1.00	23527.00	19922.00	1.00	1.00	208760.00	43701.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	100982.00	104166.00
C16 H13 N O8	190457.00	189072.00	1.00	1.00	1.00	1.00	12684.00	10051.00	91408.00	97993.00	1.00	1.00	18706.00	20080.00	21287.00	19901.00	7287.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C34 H74 N12 O6	57814.00	53584.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	107973.00	9155.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	146036.00	153185.00
LysoPC(22:6(4Z,7Z,10Z,13Z,16Z,19Z))	150515.00	145580.00	11097.00	12900.00	1.00	1.00	1.00	1.00	56125.00	58233.00	1.00	1.00	38444.00	42240.00	16055.00	15638.00	19412.00	16997.00	1.00	1.00	1.00	1.00	1.00	1.00
Hexadecanoic acid, 2-amino-, (R)-; (R)-2-Aminohexadecanoic acid	20868.00	45474.00	14252.00	13899.00	1.00	17960.00	23331.00	10263.00	37074.00	11204.00	112170.00	121161.00	13432.00	13485.00	8536.00	23222.00	14798.00	20415.00	28593.00	19051.00	22400.00	17491.00	14729.00	23918.00
C17 H38 N3 O3 Esi+12.977998	215506.00	440483.00	180661.00	165779.00	1.00	168487.00	350428.00	295395.00	184284.00	269217.00	216838.00	253760.00	191954.00	345689.00	226854.00	221714.00	173504.00	142065.00	233782.00	243661.00	333452.00	310974.00	271164.00	230980.00
C24 H47 N19 O9	111507.00	115164.00	21797.00	18588.00	1.00	1.00	1.00	1.00	62514.00	63621.00	1.00	1.00	1.00	1.00	8501.00	10319.00	32110.00	29386.00	1.00	1.00	1.00	1.00	1.00	1.00
C29 H4 N5 O28	82628.00	81284.00	17648.00	15473.00	1.00	1.00	1.00	1.00	28758.00	32812.00	1.00	1.00	7191.00	9090.00	7671.00	1.00	23217.00	22224.00	1.00	1.00	1.00	1.00	1.00	1.00
2-oxo-heneicosanoic acid	30255.00	36122.00	1.00	1.00	1.00	1.00	1.00	1.00	8254.00	1.00	54181.00	15033.00	1.00	1.00	1.00	1.00	1.00	1.00	16895.00	14046.00	1.00	1.00	71195.00	80289.00
C12 H17 N5 O Esi+1.6690001	42359.00	26508.00	1.00	1.00	1.00	1.00	25432.00	24785.00	1.00	1.00	1.00	1.00	1.00	1.00	95481.00	96774.00	33977.00	34552.00	18601.00	1.00	27920.00	26983.00	15841.00	1.00
LysoPC(20:4(8Z,11Z,14Z,17Z)) Esi+10.919999	68705.00	73128.00	1.00	1.00	1.00	1.00	1.00	1.00	68452.00	79175.00	1.00	1.00	18439.00	18379.00	1.00	1.00	8568.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C23 H6 O27 S	71894.00	66920.00	14062.00	12953.00	1.00	1.00	1.00	1.00	39366.00	34537.00	1.00	1.00	1.00	1.00	1.00	1.00	17691.00	17872.00	1.00	1.00	1.00	1.00	1.00	1.00
1-Phenylbiguanide	20618.00	21376.00	11770.00	15907.00	1.00	1.00	57161.00	58919.00	17078.00	12751.00	67316.00	67390.00	38310.00	38358.00	24762.00	21824.00	22787.00	20176.00	1.00	1.00	34859.00	38342.00	1.00	1.00
C32 H39 N4 O3	72735.00	70231.00	1.00	1.00	1.00	1.00	1.00	1.00	12298.00	14962.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
Palmityl-L-carnitine	65824.00	64185.00	1.00	1.00	1.00	1.00	1.00	1.00	49859.00	52157.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
Ethoxyquin	14879.00	13814.00	38744.00	37783.00	1.00	1.00	26342.00	27989.00	41988.00	40221.00	32934.00	30554.00	20916.00	24283.00	61584.00	54374.00	32714.00	32987.00	1.00	1.00	13200.00	13746.00	34616.00	29743.00
Erythroxanthin sulfate	63945.00	60665.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	33579.00	33466.00
C17 H38 N3 O3 Esi+12.974	273977.00	413176.00	1.00	1.00	1.00	369303.00	166108.00	276016.00	114544.00	262258.00	207728.00	224627.00	247470.00	400123.00	269062.00	278353.00	1.00	155562.00	127805.00	197318.00	200569.00	261415.00	277274.00	211654.00
C14 H27 N3 O2	7507.00	6704.00	7629.00	1.00	1.00	1.00	1.00	1.00	14438.00	13359.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C28 H37 N2 O9	40275.00	37768.00	1.00	1.00	1.00	1.00	1.00	1.00	7811.00	9059.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
Proline Esi+4.379	11701.00	10397.00	8129.00	1.00	1.00	1.00	27498.00	30510.00	9018.00	8144.00	37846.00	35589.00	19299.00	19464.00	13780.00	10469.00	9729.00	13040.00	1.00	1.00	15456.00	24316.00	1.00	1.00
C33 H53 O10	21843.00	23941.00	1.00	1.00	1.00	1.00	1.00	1.00	19378.00	17081.00	1.00	1.00	14347.00	14281.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C53 H82 N2 O11 S	11780.00	13268.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	15253.00	15206.00
C34 H61 N15 O	20777.00	14582.00	9482.00	16295.00	1.00	17834.00	22355.00	21572.00	13045.00	13722.00	1.00	22382.00	205756.00	189757.00	50611.00	12833.00	12661.00	1.00	1.00	1.00	15589.00	20545.00	25850.00	21017.00
C14 H31 N20	14371.00	19764.00	11252.00	12799.00	1.00	1.00	1.00	1.00	15903.00	1.00	1.00	1.00	9071.00	9247.00	1.00	10199.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
Spermidine	20935.00	20268.00	1.00	1.00	1.00	1.00	1.00	11126.00	1.00	1.00	110395.00	16663.00	1.00	1.00	13763.00	12327.00	8698.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
2-amino-14,16-dimethyloctadecan-3-ol	19109.00	19348.00	14507.00	1.00	1.00	16641.00	14461.00	1.00	14568.00	13137.00	17023.00	14377.00	17170.00	15456.00	1.00	21409.00	17305.00	16454.00	15848.00	11868.00	1.00	14411.00	17851.00	21558.00
C16 H34 O3 Esi+10.933	7624.00	8947.00	7374.00	1.00	1.00	1.00	1.00	1.00	1.00	8163.00	17268.00	19008.00	1.00	1.00	10700.00	10434.00	7186.00	7024.00	1.00	1.00	1.00	1.00	10660.00	10476.00
C26 H45 N12	10883.00	1.00	10926.00	7396.00	1.00	10081.00	1.00	1.00	1.00	9308.00	9966.00	1.00	1.00	1.00	10303.00	9034.00	12227.00	1.00	9987.00	1.00	1.00	1.00	14156.00	16816.00
C10 H10 N2 O9	9394.00	12460.00	1.00	5805.00	1.00	7128.00	7837.00	6693.00	17552.00	14462.00	1.00	6172.00	5408.00	6951.00	1.00	6157.00	1.00	1.00	6719.00	7479.00	1.00	1.00	1.00	1.00
CDP-DG(16:0/16:0)	12074.00	11272.00	10244.00	9940.00	1.00	8786.00	7436.00	9474.00	11781.00	1.00	9754.00	9827.00	9947.00	11193.00	8333.00	1.00	8348.00	10616.00	1.00	1.00	9973.00	9755.00	8825.00	1.00
C25 H15 N9 O21	11106.00	1.00	1.00	9310.00	1.00	1.00	1.00	13064.00	10803.00	13333.00	1.00	1.00	1.00	1.00	15209.00	13677.00	15087.00	14111.00	11750.00	10621.00	8811.00	8959.00	1.00	1.00
N-Methyl-N'-nitro-N-nitrosoguanidine	10792.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	7592.00	11560.00	15280.00	13314.00	12533.00	13972.00	12875.00	12425.00	12017.00	1.00	8223.00
Met Met Esi+4.4290004	11729.00	14031.00	12276.00	12728.00	1.00	1.00	1.00	1.00	1.00	1.00	8032.00	1.00	7826.00	1.00	7942.00	8679.00	10919.00	12437.00	8359.00	7370.00	7800.00	1.00	1.00	1.00
C18 H18 N16 O3	7973.00	7611.00	7526.00	10205.00	1.00	1.00	1.00	1.00	1.00	1.00	7050.00	9102.00	6853.00	8324.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	6246.00	1.00
DL-2-amino-octanoic acid	9510.00	11209.00	1.00	8850.00	1.00	1.00	11560.00	1.00	1.00	1.00	9369.00	8244.00	1.00	8710.00	11245.00	10420.00	7532.00	1.00	1.00	1.00	1.00	1.00	1.00	8203.00
PE(12:0/0:0)	12177.00	1.00	7199.00	9321.00	1.00	8965.00	9355.00	1.00	9609.00	11867.00	1.00	10372.00	8687.00	8750.00	9067.00	10401.00	10185.00	1.00	10179.00	7980.00	9360.00	1.00	10261.00	8587.00
C25 H51 N11 O10	10511.00	8599.00	8329.00	1.00	1.00	8393.00	1.00	1.00	9512.00	10474.00	1.00	8970.00	1.00	1.00	9308.00	11054.00	1.00	8650.00	9788.00	10677.00	8565.00	1.00	1.00	1.00
5?-Deoxy-5?-(methylthio)adenosine	8257.00	10392.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	8418.00	7663.00	1.00	6640.00	1.00	7308.00	8013.00	7917.00	1.00	1.00
2S,5S-Methionine sulfoximine	15126.00	13272.00	7577.00	9991.00	1.00	1.00	10195.00	8626.00	1.00	1.00	13054.00	14980.00	8554.00	1.00	11738.00	15338.00	11738.00	10998.00	1.00	1.00	9610.00	8924.00	9439.00	8179.00
C22 H37 N15 O2	8042.00	8163.00	9995.00	8197.00	1.00	8380.00	1.00	7280.00	9891.00	8564.00	8156.00	7552.00	8962.00	8190.00	1.00	1.00	7461.00	8214.00	1.00	8065.00	1.00	9629.00	8336.00	7643.00
C42 H37 N9 O2	6774.00	8089.00	1.00	1.00	1.00	1.00	1.00	1.00	8581.00	8143.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
C28 H57 N8 O10	7668.00	1.00	8240.00	7380.00	1.00	1.00	10031.00	10815.00	1.00	7598.00	1.00	7907.00	7023.00	7151.00	1.00	1.00	1.00	1.00	6598.00	1.00	1.00	7106.00	6565.00	8069.00
Creatine Esi+0.97599995	1.00	21000000.00	861168.00	1002789.00	1.00	1.00	19500000.00	19500000.00	1.00	1.00	1.00	16000000.00	1.00	1.00	1575949.00	1664908.00	1442042.00	1420796.00	1.00	21400000.00	1129652.00	1238258.00	15600000.00	1.00
C15 H34 N3 O2	1.00	144198.00	1.00	295048.00	1.00	187511.00	1.00	16445.00	1.00	1.00	114018.00	1.00	82004.00	83087.00	77755.00	86520.00	209997.00	1.00	96008.00	70005.00	137470.00	146634.00	81976.00	67531.00
Chamuvaritin Esi+9.666	1.00	1.00	120460.00	118978.00	1.00	1.00	85149.00	83307.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	94320.00	94509.00	54870.00	1.00	92092.00	87948.00	83870.00	78072.00
C11 H14 N4 O7 S	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	32429.00	31715.00	1.00	1.00	12174.00	14370.00	15993.00	21280.00	33548.00	34750.00	40322.00	34865.00	47839.00	49458.00	103898.00	106862.00
C11 H26 N8 O8	1.00	1.00	28028.00	1.00	1.00	1.00	1.00	23486.00	1.00	1.00	1.00	1.00	35947.00	31177.00	27079.00	1.00	36478.00	1.00	26759.00	1.00	1.00	30213.00	28027.00	27339.00
C12 H16 N4 O8 S	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	9575.00	10106.00	1.00	1.00	1.00	1.00	1.00	1.00	9090.00	13736.00	7950.00	8011.00	11409.00	12524.00	35559.00	39765.00
C20 H10 N2 O5	1.00	1.00	1.00	1.00	1.00	6916.00	1.00	1.00	20384.00	21923.00	1.00	1.00	1.00	1.00	1.00	1.00	13346.00	14020.00	15734.00	13380.00	12676.00	14700.00	33347.00	35849.00
SRT 1720	1.00	1.00	1.00	1.00	1.00	1.00	5987.00	1.00	1.00	1.00	1.00	1.00	16678.00	13738.00	16560.00	17478.00	12046.00	11029.00	17655.00	17911.00	27947.00	27482.00	14978.00	17547.00
C18 H24 N3 O9	1.00	1.00	1.00	1.00	1.00	1.00	5994.00	1.00	1.00	1.00	1.00	1.00	1.00	6801.00	22136.00	26294.00	7155.00	6670.00	12578.00	13500.00	31967.00	32240.00	9145.00	9418.00
(+)-Tephrorin B	1.00	1.00	6992.00	11752.00	1.00	6495.00	1.00	7011.00	1.00	1.00	1.00	7965.00	24270.00	17011.00	13803.00	11208.00	11964.00	11452.00	12874.00	14983.00	17511.00	13359.00	8116.00	9463.00
Danthron	1.00	7560.00	1.00	6615.00	1.00	1.00	10240.00	10135.00	1.00	1.00	1.00	1.00	10056.00	8250.00	17140.00	15958.00	9183.00	9342.00	13761.00	14862.00	18379.00	20253.00	12443.00	15275.00
Sulfadoxine suflate	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	16264.00	14999.00	18802.00	18838.00	21642.00	21210.00	15506.00	13279.00	14840.00	17599.00
AG-183	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	9579.00	10982.00	1.00	1.00	10962.00	10579.00	14366.00	13102.00	11919.00	9778.00
Thr-His-OH	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	10163.00	9001.00	1.00	1.00	10370.00	10954.00	7522.00	7849.00	6945.00	7529.00
C14 H21 N4 O10	1.00	1.00	9966.00	6174.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	8264.00	8538.00	8776.00	10637.00	1.00	1.00	8272.00	8423.00	1.00	1.00
C20 H28 N8 O16	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	7585.00	7479.00	1.00	1.00	6550.00	6098.00	9034.00	10651.00
C22 H19 N10 O3	1.00	1.00	6555.00	1.00	1.00	1.00	6277.00	1.00	1.00	1.00	6032.00	1.00	1.00	1.00	6245.00	6404.00	6235.00	6639.00	6314.00	1.00	7912.00	7469.00	1.00	1.00
C23 H12 N6 O4	1.00	1.00	6045.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	7230.00	7172.00	7603.00	7012.00	7454.00	1.00	1.00	6786.00	1.00	1.00
C37 H40 N16	1.00	1.00	1.00	7712.00	1.00	1.00	7577.00	1.00	1.00	6474.00	6427.00	1.00	7938.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	6579.00	1.00	6637.00
C30 H51 N O12	1.00	1.00	7242.00	1.00	1.00	1.00	252046.00	242369.00	8124.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	7859.00	1.00	10417.00	1.00	6848.00	1.00	7327.00	1.00
C33 H65 N5 O10 S	1.00	1.00	1.00	1.00	1.00	1.00	6696.00	1.00	6984.00	6902.00	51777.00	54548.00	1.00	1.00	8550.00	7653.00	1.00	1.00	1.00	1.00	1.00	1.00	7667.00	8998.00