Metabolomics Workbench : NIH Data Repository : Analyze Studies

Metabolite structure	F1	F2	F3	F4	F5	F6
10-Hydroxydecanoic acid	137385.99	174767.31	191141.18	215523.79	330586.67	312853.09
10-Oxodecanoate	96454.19	90956.46	158093.82	172794.45	270585.95	302003.09
10-oxogeranial	48064.03	40115.11	76839.85	68611.43	53060.51	79049.88
1,2-dioctanoyl-1,2,6-hexanetriol	1385990.29	1592719.21	1455225.38	1407412.58	1254570.21	1426792.25
12-Hydroxydodecanoic acid	82612.67	70750.67	59162.33	41016.33	66557.00	74912.33
1,4-Bis(2-ethylhexyl) sulfosuccinate	258131.70	461343.44	244205.65	297100.11	264938.14	519868.72
1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide	78602.00	-	72566.00	-	-	-
1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one	104925.32	135694.30	172064.90	139173.18	200824.38	177063.89
16-hydroxypalmitate	322476.28	408088.65	705755.04	852825.35	1013041.94	1038528.75
1-Aminocyclopropane-1-carboxylate	94463.00	64999.33	96820.33	76122.67	88309.00	72552.00
1-Aminocyclopropane-1-carboxylate_2	164527.84	131473.45	177692.32	538192.20	475536.74	511052.24
1-naphthalenesulfonamide, n-(6-aminohexyl)-5- chloro-	234887.40	121791.62	275932.30	-	-	-
(1R)-Hydroxy-(2R)-glutathionyl-1,2-dihydronaphthalene	24664.82	-	31600.30	-	-	-
(1S,2R,4S)-(-)-Bornyl acetate	334391.56	244657.02	433161.02	778907.10	625535.75	735389.31
2,2-Iminodipropanoate	123708.23	108833.67	134328.47	661736.58	612895.48	678392.54
2,3,5-Trihydroxytoluene	26729.33	23664.00	164570.00	28123.67	29542.00	113391.00
2,3-Bisphospho-D-glycerate	1165138.67	158833.67	1204572.67	3494660.00	3083575.67	6615709.67
2,7-Anhydro-alpha-N-acetylneuraminic acid	4807545.17	5263364.83	4878017.83	11114515.67	11805105.67	11551450.67
2-(Acetamidomethylene)succinate	39484.75	38902.17	78930.07	180674.57	212145.38	213437.46
2-Acetolactate	3703262.67	2571579.67	8401507.33	3346028.33	3025001.33	6282413.00
2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate	-	-	-	77820.81	88049.28	134405.02
2(alpha-D-Mannosyl)-D-glycerate	1647929.92	1709962.92	2595347.50	3225415.25	3226019.50	6046574.33
2-Aminoacrylate	6758.33	5285.33	6995.00	178655.00	128604.67	157912.33
2-Aminomalonate semialdehyde	-	51746.77	-	166914.59	122485.79	257116.47
2-Butenoate	891717.02	647586.88	2141860.08	868547.52	728827.88	1716602.42
2-Butyne-1,4-diol	120457.33	87865.67	145900.00	205935.67	174545.67	208099.00
2-Dehydro-3-deoxy-D-gluconate	2032502.12	2688379.25	2082217.25	333939.57	383183.23	406316.75
2-Dehydro-3-deoxy-L-arabinonate	276650.00	244292.00	291359.33	264177.33	258984.33	277213.00
2-Dehydro-D-xylonate	71588.28	72803.28	83431.42	139206.09	136648.20	137980.88
2-Dehydro-D-xylonate_2	69533.00	51833.00	84111.67	61525.00	46931.67	85423.00
2-Deoxymugineic acid	170921.53	29989.34	155025.65	23768.19	25473.29	36584.82
2-Ethylhexyl phthalate	10972933.00	4677357.00	13509929.00	8454219.33	5308144.00	7631433.33
2-Formaminobenzoylacetate	112354.33	50504.00	191035.33	54526.00	109617.67	71886.00
2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestan	2708530.33	2197395.67	2926953.67	1635673.67	1426996.67	1645493.33
2-Hydroxy-2,4-pentadienoate	11474954.33	7787639.33	25699553.33	11445415.00	9548699.67	21358571.33
2-Hydroxybutane-1,2,4-tricarboxylate	52689.00	98897.67	76879.67	298532.00	298496.33	319040.33
2-Hydroxyethanesulfonate	381412.59	259577.38	464670.65	350975.68	307613.72	387274.26
2-Hydroxyethanesulfonate_2	354630.67	207769.33	312430.00	374413.00	3792421.00	243531.00
2-hydroxymethanesulfonate	170734.33	168175.16	121928.41	102389.23	64945.94	107313.22
2-(Hydroxymethyl)-3-(acetamidomethylene)succinate	22745.67	14514.33	24013.00	3203199.00	2794802.33	3225602.67
2-isocapryloyl-3R-hydroxymethyl-γ-butyrolactone	801132.88	883257.06	672193.25	652573.75	716007.21	723929.52
2-Octenedioicacid	160627.61	133855.51	174458.96	105712.25	144346.30	125679.22
2-Oxoadipate	253568.31	163047.36	370976.51	297926.68	228444.33	359965.43
2-Oxoglutaramate	294963.00	94445.67	521924.33	231726.33	557031.33	358362.67
2-Oxoglutarate	4240248.17	4374704.42	4009946.92	2033379.38	2565420.83	2408630.88
2-Oxooctadecanoic acid	606391.06	935686.94	1345438.62	6353017.17	8813682.67	9513525.67
2-oxosuberate	38121.00	29396.33	85947.67	39069.00	30029.00	52404.67
2-Oxosuccinamate	46637.92	24896.48	89419.88	34755.77	99715.99	61055.09
(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate	368285.03	376617.64	414102.06	334115.60	321396.32	355034.17
(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate_2	85170.23	45010.44	146912.17	83529.20	64640.30	153964.87
2-(sulfomethyl)thiazolidine-4-carboxylate	116705.33	22213.00	346303.00	122181.33	102593.33	112061.00
2-trans,6-trans-Farnesal	317812.27	312440.39	364994.85	269723.65	259234.02	235706.07
3,4-dihydroxybenzylamine	5687270.00	4484108.00	6509417.67	3510580.33	3128799.67	3141826.00
3,4-Dihydroxymandelaldehyde	-	-	96553.30	41186.77	-	65036.32
3,4-Dihydroxypyridine	24021.67	20783.33	27980.33	1323516.67	1160638.00	1295660.33
3-(4-Hydroxyphenyl)pyruvate	119679.61	86169.07	106731.62	68897.40	74419.83	90309.61
3,6,8-Trimethylallantoin	103262.67	41084.67	209976.33	20535.67	64916.33	37751.67
3,7-Dimethyl-2E,6E-decadien-1,10-dioic acid	39343.48	101655.13	367041.15	444462.33	498034.31	422905.50
3-acetyl pyridine adenine dinucleotide	15107.60	29188.20	34304.05	46742.75	50360.53	115415.77
3-(ADP)-glycerate	22548.01	13386.94	24730.75	138556.71	106090.87	130870.10
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-al	100879.75	491849.49	487501.65	228141.71	424728.41	626350.75
3beta-Hydroxyandrost-5-en-17-one 3-sulfate	614230.33	354573.00	698942.67	454100.00	320588.00	392796.67
3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid	142428.33	61031.68	170097.17	81285.81	94064.21	84891.71
3-Dehydrocarnitine	178519.00	139154.00	228194.33	192604.33	156243.67	144194.67
3-Dehydroquinate	59253.01	51950.28	61545.54	93876.08	60982.52	96365.41
3-dimethylsulfoniopropionaldehyde	799818.00	550040.33	12135.00	725756.00	682325.33	14619.00
3-hydroxyacyl group of bacterial toxin	184750.74	634479.71	954207.67	215101.76	213635.58	374173.73
3-Hydroxydodecanedioicacid	91016.59	252631.48	347790.51	244748.06	427763.73	419512.26
3-Methylbutanoic acid	715878.92	697545.23	752585.94	1651865.12	1607951.38	1530262.92
3-Phospho-D-glycerate	2827569.33	1269091.00	3843875.67	2918397.67	2218797.33	4338875.00
3-Phospho-D-glyceroyl phosphate	127082.67	126672.33	180089.00	115869.33	120435.00	118570.00
3-Phosphonopyruvate	218305.66	240190.57	214569.22	877207.00	770581.71	997418.60
(3R)-beta-Leucine	3021804.00	2343052.00	3675201.33	3258938.67	2835406.33	3199486.00
3-Sulfino-L-alanine	163016.33	91878.67	166607.00	621563.33	467685.67	640607.67
3-Sulfolactate	108683.53	90284.11	76964.00	221525.41	196239.07	205142.51
3-sulfopropanoate	141808.00	119993.33	159698.33	154930.67	126244.00	113584.33
4-(2-Aminophenyl)-2,4-dioxobutanoate	768880.33	238010.00	1294114.33	256829.50	609576.33	506443.67
4-(2-Aminophenyl)-2,4-dioxobutanoate_2	123764.70	-	268488.81	507457.49	440121.39	916686.83
4-Amino-4-deoxychorismate	353161.69	352598.21	403850.52	278045.52	256068.52	277637.44
(4E)-2-Oxohexenoic acid	37255.79	64682.74	125104.71	55442.16	88339.60	59437.30
4-Hydroxyhexan-3-one	1003768.33	1126759.83	1720022.83	1525967.29	1574676.92	1638746.75
4-Hydroxyphenylacetylglycine	245845.00	343212.67	455083.67	559915.67	370453.67	449338.67
4-Hydroxyphenylacetylglycine_2	-	-	-	236988.75	175293.78	206655.88
4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde	311888.61	319764.28	295980.46	258023.45	251616.55	284257.01
4-Methylene-L-glutamate	148302.54	126976.79	140187.01	105251.70	107460.48	117507.21
4-Methylpentanal	872972.33	986672.33	677500.67	511573.33	407704.33	713991.33
4-Nitroaniline	47380.85	77539.88	54099.15	34839.42	108509.74	33262.79
4-Nitrophenyl-3-ketovalidamine	-	-	-	156417.14	165021.53	141513.56
4-Oxoglutaramate	18907.67	18084.00	22233.00	102136.33	104217.00	91697.67
4-Propylphenol	79887.74	112940.72	176383.46	107323.51	61699.62	56019.11
5,6-Dihydroxyindole-2-carboxylate	-	-	538228.48	501266.03	445637.59	555549.05
5-Acetamidopentanoate	918910.33	1567721.33	2599998.00	2049181.33	1849062.67	2614553.67
5-Acetamidopentanoate_2	14734356.33	16589118.00	14073569.67	237892.48	276291.17	349349.88
5beta-Cyprinolsulfate	88977.00	216967.00	207834.33	345751.67	146901.00	428578.00
5D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone	459608.33	436060.01	480733.92	196981.92	160206.60	213310.98
5-Dehydro-4-deoxy-D-glucarate	336230.21	494213.20	612781.50	361922.22	490831.45	454883.46
5-Deoxy-5-aminoshikimic acid	19864.33	15745.67	20159.67	694853.67	639541.00	688083.33
5-Hydroxycotinine	183750.93	143692.67	173573.00	89827.38	103772.74	97875.72
5-Hydroxyectoine	25760.78	19030.87	65521.36	13695.21	50088.23	25205.47
5-Hydroxyisourate	67991.91	85777.12	172277.06	99825.19	119550.91	130189.33
5-Hydroxypentanoate	545729.33	376987.33	470628.67	498940.00	364280.67	378700.67
5-Phenyl-1,3-oxazinane-2,4-dione	2662461.33	846485.00	4576302.33	861802.67	2345275.67	1420875.33
6-Acetyl-D-glucose	29211.67	13832.00	70151.33	153948.00	146946.33	198960.67
6-Acetyl-D-glucose_2	184817.10	194731.06	262035.32	265309.05	187526.11	384239.53
[6]-Gingerol	10171436.67	14835889.00	11430367.67	8529835.17	10014801.00	8006930.50
(+/-)-6-Hydroxy-3-oxo-alpha-ionone	18343.77	41519.08	90552.76	57412.38	89168.32	85272.12
6-Phospho-D-gluconate	473082.00	359901.33	510851.00	1752325.67	1609909.33	2574710.33
(6Z)-Octadecenoic acid	270008.90	267249.40	246558.35	240756.85	258352.86	280175.32
7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one	-	100255.00	91021.95	58586.01	111581.65	144438.76
7E,9E,11-Dodecatrienyl acetate	745503.90	1071061.08	844599.83	685079.83	756141.19	621193.52
8-keto-7-aminoperlagonate	885443.08	779851.21	2195987.38	1640197.50	1853804.83	1886069.96
9-Oxononanoic acid	469873.12	726131.12	1257017.67	648604.44	1154096.08	1124960.27
(9Z)-Hexadecenoic acid	2719961.00	1082871.67	1725494.00	2733853.42	4024585.08	3666391.58
(9Z)-Tetradecenoic acid	385961.16	178429.04	287211.18	212582.61	337593.35	344427.15
Abscisic acid glucose ester	117495.69	154684.35	210733.80	178726.73	282875.12	303859.46
Abscisic aldehyde	-	52060.76	181826.95	65213.11	164469.99	132646.48
Acetyl-CoA	91443.33	61423.33	100330.00	62014.67	58127.33	53280.67
ADP	33498044.67	26826886.00	37411932.00	21085723.33	15279626.00	21056590.00
ADP ribose 1,2-phosphate	396918.39	303820.38	388478.09	608447.58	507169.70	551736.59
A-Ketoglutaricacidoxime	11832.15	18779.47	65286.92	69486.34	91778.38	73402.90
Ala-Asn-Asp	42425.64	36929.18	29572.50	112230.35	128013.24	127791.56
Ala-Asp	27107.39	45373.21	30163.30	89336.19	109969.26	94811.52
Ala-Asp-Asp	17142.67	22596.67	20122.33	515123.00	575289.33	610644.00
Ala-Asp-Ser	82184.67	117551.00	69341.67	264621.33	241485.00	295006.00
Ala-Ser-His	53796.18	61878.53	121628.93	153063.08	126001.29	255879.07
alpha-D-Glucosamine 1-phosphate	118514.05	115739.06	106205.12	61294.57	70129.98	68354.06
alpha-D-Glucosamine 1-phosphate_2	3163587.33	3308118.50	2998090.42	9107416.50	10279221.33	10152783.67
alpha-D-Glucose	319436.67	327399.16	592995.02	347165.50	391437.30	538224.00
alpha-D-Mannoheptulopyranose	126934.76	119523.92	110719.77	-	-	-
alpha-(Methylenecyclopropyl)glycine	227465.33	160111.33	281997.67	229975.33	228102.00	251744.33
ancymidol	338463.69	294778.61	326495.69	152069.66	153920.43	155665.21
Apiole	660332.67	604331.67	564149.33	630454.00	649021.67	704983.33
Arecoline	134742.00	112227.67	147612.67	135455.00	127448.67	124216.67
Arg-Cys-Gln-Tyr	188825.38	274855.11	155884.19	249334.37	235087.05	244075.77
Arg-Leu-Val-Asn	25416.86	27724.53	26909.47	189463.32	195004.93	209974.00
Ascorbate	14606902.33	3342202.83	17620048.00	7017705.50	4305729.08	11216793.67
Asn-Asp-Asp-Pro	-	-	-	393702.43	396178.17	456712.77
Asn-Asp-Gly	23343.74	29945.73	21554.71	208304.03	238890.94	254222.53
Asn-Gln-Tyr-His	-	-	16223.92	-	-	21665.96
Asn-Gly	44719.33	-	46755.67	191022.00	130221.00	196887.67
Aspartyl-L-proline	29028.35	29477.99	26589.10	1061585.29	1113509.12	1054533.27
Asp-Asp	223394.35	239114.81	220801.47	733819.48	802301.88	814373.50
Asp-Asp_2	-	-	-	17949.31	58839.93	39758.14
Asp-Gln	38553.13	36581.04	88630.93	84577.61	114083.01	106249.89
Asp-Gly-Ser	-	30019.05	-	120720.42	111778.57	133172.63
Asp-Gly-Tyr	-	-	-	99560.60	95689.45	98499.43
Aspidinol	-	29080.05	163871.40	80224.00	78398.92	99751.04
Asp-Leu-Lys-Lys	9364.20	9776.30	9597.78	95403.90	96599.25	102073.94
Asp-Met-Cys-Cys	-	-	-	442251.98	500867.90	468073.15
Asp-Ser	25293.00	39161.00	29101.00	103992.67	118588.33	101898.33
Benzoate	2223071.33	1504616.00	1820907.67	1983467.33	1786599.67	1530977.33
Benzofuran	1289835.00	1038339.00	1429263.67	875007.00	809569.33	772999.00
beta-D-Glucose	500251.34	340822.49	828577.81	499073.55	434555.44	843065.79
Botrydial	733691.58	739754.15	591157.08	623617.54	570653.83	656388.98
Brassicanal A	120341.77	198260.40	1569864.17	455173.55	565080.77	648743.12
Butanoic acid	201858.67	188528.67	180721.67	314930.67	301435.33	267983.00
CAI-1	581272.67	376025.33	464201.33	562375.00	681451.00	765583.00
Camoensine	386578.48	245270.74	429914.51	240116.96	161347.23	237299.77
Cantleyine	975423.67	793635.33	1465679.00	1648909.67	1831861.00	1883089.00
Capryloylglycine	119464.00	141467.00	88673.00	165474.33	136682.67	110564.67
Capryloylglycine_2	609311.39	829456.71	1197496.96	585489.09	688031.65	616918.79
Cardiospermin	71284.23	73999.49	103382.78	85149.88	72745.26	54815.43
CDP	-	-	-	113215.72	80923.46	93541.64
Cer(d18:2/16:0)	39087.59	49978.10	53605.13	438957.71	376061.78	454598.44
Cholesterolsulfate	2499451.67	2435493.92	1963406.00	2332901.75	2222716.50	2243914.08
cis-1,2-Dihydro-3-ethylcatechol	22014.42	40074.83	72793.07	57610.13	89217.25	93144.58
cis-3-Chloroacrylic acid	-	-	27738.25	-	-	-
Citrate	35791066.67	18356494.67	43883772.00	63658368.00	54639368.00	65502533.33
Clitidine 5-phosphate	74335.08	47527.14	102208.19	-	-	-
CMP-N-acetylneuraminate	20519.05	12007.60	-	1511850.08	1413716.50	1506386.62
CoA-glutathione	42882.76	26746.11	34855.77	120129.20	83623.47	115852.33
Cyanuric acid	402866.00	41094.33	41890.33	62252.33	41960.00	45974.00
Cyclic ADP-ribose	1661105.33	1468648.33	1722025.67	4248065.33	3801365.00	4268986.67
Cyclohexane-1,3-dione	34292.63	51118.22	78534.46	105667.28	100596.47	140318.50
Cys-Met-Met-Phe	-	-	-	56774.33	168211.44	101488.43
Cys-Met-Pro-His	159485.37	149741.13	181856.80	164175.15	151060.93	207022.10
Cys-Thr-Ser-Tyr	69570.84	89284.26	263946.85	145947.89	144511.89	-
D-Alanyl-D-alanine	39934.24	18957.08	47790.91	31053.92	23064.98	27345.00
dATP	69887.67	38500.33	79008.67	102938.00	88629.00	120233.33
Decanoic acid	1745045.62	1344086.21	1554523.00	1739397.58	1650975.79	1497715.38
Dehydrojuvabione	152772.27	420230.49	307684.29	132181.28	179988.78	190379.98
Demethyltorosaflavone D	725236.58	641877.94	657794.10	372162.40	385064.78	333058.75
D-Fructose	45167382.67	37454523.33	46469777.33	5698980.33	6772302.83	5280662.67
D-Fructose 1,6-bisphosphate	730814.00	289472.00	1066361.33	1266871.00	1118881.67	3863550.33
D-Galactose	468683.26	457154.63	936930.44	593089.70	461077.02	1110004.00
D-Galacturonate	3294152.08	3459319.83	3366665.17	455457.17	514430.72	654001.04
D-Glucarate	382140.02	335835.48	382387.25	39468.58	36338.02	39942.16
D-Gluconic acid	57741866.67	62863777.33	53622928.00	2410717.38	2685491.33	2706280.08
D-Glucose	29976406.67	18905916.67	67662644.00	27635294.67	22731264.00	54059840.00
D-Glyceraldehyde 3-phosphate	20842.00	20318.00	35478.33	93008.67	90477.00	113671.67
D-Glycerate	175529.67	146605.00	250176.67	217417.33	194195.00	263196.33
Dichloroacetate	110095.99	-	579555.94	-	237441.43	59423.46
Diethofencarb	-	24445.89	112200.58	588489.27	602104.15	562976.81
Diethyl 2-methyl-3-oxosuccinate	120344.76	172767.77	215241.83	89415.58	156062.46	139455.95
Diethyl adipate	342664.46	468179.79	560287.91	251340.30	404842.34	283137.75
dihomocitrate	6659.72	5792.32	7690.62	106918.68	117776.15	111762.85
D-Mannose	525874.16	430915.06	1026997.33	596095.23	387108.28	1029213.22
D-Mannose 6-phosphate	18427852.33	19774993.00	19982703.33	1802318.58	1436887.08	2454221.17
Docosahexaenoicacid	358994.78	250243.71	134423.24	216172.01	154786.11	171094.81
Docosanoic acid	142991.19	170196.28	150715.29	259832.02	213101.76	249227.06
Dodecanedioic acid	67107.08	142467.32	184527.93	154993.75	282658.40	318704.84
D-Proline	434384.00	335381.67	534532.00	508130.33	588012.00	707513.33
D-Ribose 5-phosphate	191287.00	153222.00	255909.33	177807.33	182444.00	402271.00
D-Sedoheptulose 7-phosphate	522556.67	474758.67	2480275.67	1476216.33	788808.33	4316435.67
D-Sorbitol	36892398.67	40802629.33	38563165.33	3632198.83	3130698.92	5185490.50
dTDP-3-oxo-4,6-dideoxy-alpha-D-glucose	517165.67	410738.67	608015.67	413596.00	413077.00	313754.00
dXMP	1678936.79	1790732.21	2096004.92	4735642.67	4711083.17	5644121.67
D-Xylonolactone	10629899.33	12803400.67	10171919.67	23058381.33	22579825.33	21909577.33
D-Xylulose	1858929.33	1154470.67	4017769.00	1712443.00	1463814.00	3206752.33
Ecgonine	170354.01	199015.91	157844.04	90306.52	84167.40	82162.53
ethanedisulfonate	615998.00	253653.33	754952.67	864080.33	834099.67	896443.33
ethyl-(2R)-methyl-(3S)-hydroxybutanoate	278438.16	449697.56	931555.96	573982.29	904388.00	853278.31
Ethyl 3-oxohexanoate	187456.05	166640.03	245820.19	177118.57	195748.53	267256.35
ethylpyruvate	168693.06	174738.25	167857.79	327484.01	336504.85	299486.02
Ethyl (R)-3-hydroxyhexanoate	109407.37	128719.46	233620.33	177485.30	234351.40	182590.09
[FA (10:1/2:0)] 2E-Decenedioic acid	103832.32	198678.87	284995.00	159114.19	273444.54	274542.84
[FA (11:0)] undecanoic acid	420025.33	304665.67	326470.33	429416.00	392969.33	455302.67
[FA (11:1)] 10-undecenoic acid	59567.35	67309.30	93924.21	101484.78	135315.44	97488.51
[FA (13:0/2:0)] Tridecanedioic acid	158991.00	134970.33	111105.67	111702.67	80721.00	113682.00
[FA (13:2)] 3E,5E-tridecadienoic acid	205043.74	149432.49	136331.07	155531.08	149655.43	167906.45
[FA (14:0/2:0)] Tetradecanedioic acid	61142.33	61559.00	82760.00	34857.33	45949.00	55798.00
[FA (14:2)] 5,8-tetradecadienoic acid	112840.58	29539.01	36271.91	40015.12	92916.65	43112.36
[FA (17:0)] heptadecanoic acid	1808216.88	2367214.92	3300097.83	3191163.83	4529648.33	4552040.33
[FA (18:1)] 9Z-octadecenoic acid	12695324.33	7015070.00	12271554.67	11354576.00	10866014.33	12039900.00
[FA (18:2)] 9S-hydroperoxy-10E,12Z-octadecadienoic acid	230484.28	159055.96	504066.39	430637.85	606426.12	703259.21
[FA (18:2)] 9Z,11E-octadecadienoic acid	107734.65	130376.48	100807.73	68810.12	62084.71	65018.37
[FA (18:3)] 13S-hydroperoxy-9Z,11E,14Z-octadecatrienoic acid	48159.33	38910.90	556510.97	355076.02	396387.82	469397.55
[FA (20:0)] 11Z-eicosenoic acid	132206.89	140446.24	178731.84	175271.28	168029.98	161180.41
[FA (20:0/2:0)] Eicosanedioic acid	-	116066.13	169218.48	85045.55	154460.19	159245.20
[FA (20:0)] eicosanoic acid	792657.73	608291.92	493382.60	718468.92	463068.35	587423.29
[FA (20:2)] 15S-hydroperoxy-11Z,13E-eicosadienoic acid	-	-	294546.24	66813.78	109455.76	95242.53
[FA (20:4)] 5Z,8Z,11Z,14Z-eicosatetraenoic acid	1064417.42	658384.25	727094.40	965745.67	787454.48	929746.15
[FA (22:0)] 13Z-docosenoic acid	-	69742.56	121670.59	164517.44	160145.92	212499.21
[FA (22:4)] 7Z,10Z,13Z,16Z-docosatetraenoic acid	-	69717.45	76962.83	174081.46	135055.68	181150.53
[FA (24:0)] 15Z-tetracosenoic acid	-	-	57386.13	234103.27	210371.84	201321.35
[FA (8:0)] octanoic acid	1670927.83	2841752.17	3495397.92	2399516.25	2671348.00	2261290.92
[FA (8:1)] 2Z-octenoic acid	138876.86	203000.35	542357.02	467292.05	590183.65	596177.22
FAD	56099.12	64449.69	57179.23	156304.40	164582.34	166361.49
[FA dimethyl(13:0)] 2,5-dimethyl-2E-tridecenoic acid	169570.09	117762.92	109356.45	317950.95	458062.09	463607.48
[FA dioxo(8:0)] 4,7-dioxo-octanoic acid	256693.05	267541.23	229906.57	242498.89	297618.35	318736.49
Fagomine	1235231.79	1324718.46	1198771.33	473206.57	524812.85	538708.66
Fagomine_2	479009.72	495637.23	452737.75	325481.47	300757.82	326254.99
[FA hydroxy(11:1)] 2-hydroxy-10-undecenoic acid	75923.67	66420.33	97803.33	102730.00	124696.00	123845.67
[FA hydroxy(11:2/11:2)] 2R,9R-dihydroxy-3S,4S,7S,8S-diepoxy-...	56399.19	77849.10	128769.83	80512.95	88649.80	120040.70
[FA hydroxy(13:0)] 2-hydroxy-tridecanoic acid	843779.85	1539833.33	1380716.58	967002.81	1262974.42	1119708.50
[FA hydroxy(18:0)] 2S-hydroxy-octadecanoic acid	393409.76	388344.39	570252.80	790330.04	909789.08	971970.54
[FA hydroxy(18:2)] 9S-hydroxy-10E,12Z-octadecadienoic acid	390666.68	352396.26	841406.02	3218546.50	4199752.83	4428586.33
[FA hydroxy(20:4)] 15S-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoi...	155617.33	124169.33	212198.67	265771.33	222882.00	245413.33
[FA hydroxy(6:0)] 4-hydroxy-hexanoic acid	217086.36	185080.66	264295.17	232202.30	264238.65	263653.76
[FA hydroxy(7:1/2:0)] 2,4-dihydroxy-2-heptenedioc acid	105015.00	93765.67	92846.00	-	-	26349.00
[FA hydroxy,trihydroxy(3:0/2:0)] N-(1,3-dihydroxypropan-2-yl...	-	-	-	36813.40	30317.66	34178.56
[FA methyl(14:0)] 12-methyl-tetradecanoic acid	2328649.67	2142125.92	2561323.17	2736405.75	3407115.25	3663049.75
[FA methyl(19:0/2:0)] 13-methylnonadecane-1,2-diol	308383.00	225349.67	389514.33	394702.67	266357.67	295120.33
[FA methyl(6:0)] 2-methyl-hexanoic acid	596545.42	916338.40	1018108.81	857680.75	965082.06	905573.21
[FA] Methyl jasmonate	38920.12	46632.94	100039.67	134661.26	162105.05	147778.94
[FA oxo(12:1)] 12-oxo-10E-dodecenoic acid	101751.13	284308.82	474846.33	551448.75	760324.85	827225.19
[FA oxo(16:0)] 3-oxo-hexadecanoic acid	392846.76	560214.82	926902.67	2979914.17	3624567.42	3625795.67
[FA oxo(4:0)] 11-oxo-5Z,9,12E,14E-prostatetraenoic acid	90149.33	89315.00	110052.33	97250.00	91759.33	106965.00
[FA oxo(5:1/5:0/4:0)] (1R,2R)-3-oxo-2-(2Z-pentenyl)-cyclopen...	24517.25	88467.06	120074.69	66109.99	113542.75	146816.51
[FA oxo(7:0)] 2-oxo-heptanoic acid	235063.60	490914.21	1840652.42	924128.75	1363489.46	1475382.08
[FA oxo(8:0)] 3-oxo-octanoic acid	360852.17	199029.66	617141.58	373826.29	544063.23	545568.38
[FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid	200989.67	150389.33	211422.67	209378.00	166688.00	199337.67
[FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid_2	9384754.00	11748598.67	8523974.00	998198.27	1130489.75	1081376.25
Farnesoic acid	672038.00	351892.67	511691.00	1009560.33	830136.00	828350.33
[FA trihydroxy(18:1)] 9S,12S,13S-trihydroxy-10E-octadecenoic...	283925.09	245931.03	258675.50	237215.76	285689.38	259188.93
[FA trihydroxy(4:0)] 2,2,4-trihydroxy-butanoic acid	2281669.00	2404503.33	2393478.75	31672.37	28700.29	32086.57
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acid	1337544.00	2430968.33	1474642.67	3695116.33	1932131.00	4253209.00
Flaccidin B	1316602.67	228194.33	2119946.00	209885.33	1464537.00	515041.33
Fumarate	1670442.54	1408087.33	1720061.42	2690035.33	2546480.25	2809854.00
Furfural diethyl acetal	92437.27	110099.27	1233328.83	211944.31	343587.07	312168.10
[Fv Methyl,trimethoxy,hydrox] 3,4-Methylenedioxy-2,4,6-trime...	102594.97	-	215769.36	-	177281.05	-
Galactinoldihydrate	252085.96	265482.69	376057.21	-	-	-
gamma-L-Glutamyl-L-cysteinyl-beta-alanine	34833.28	35487.44	34545.28	113932.43	96078.47	119858.26
GDP-L-fucose	280376.05	252385.46	284805.56	182047.56	160079.41	198592.03
GDP-mannose	476622.00	381024.67	499775.67	1321437.00	414806.33	1632477.67
Gentisate aldehyde	89555.33	56289.00	95983.33	82884.67	83605.33	69162.67
Gentisyl alcohol	66516.91	78024.54	94005.98	76051.28	94840.41	93436.38
Glu-Asp-Cys	139873.74	64776.54	227205.40	73621.48	151401.05	106437.63
Glu-Asp-Met	37760.69	116563.32	65747.52	-	-	-
Glucosyl sphingosine	315667.33	341470.00	311766.00	79224.67	55624.00	65550.33
Glu-Cys-Cys	21934.00	12882.00	51660.33	57855.00	56661.67	66860.33
Glu-Cys-Cys_2	-	7805.09	-	24727.79	121938.24	-
Glu-Glu	56501.86	54077.71	19180.84	43814.76	49305.36	32421.07
Glu-Glu_2	-	-	-	60232.40	80702.76	104892.94
Glu-Leu	109490.06	106495.35	90020.61	185633.51	202198.62	176727.20
Glu-Met-Cys-His	-	-	-	60379.71	-	58725.72
Glu-Met-Met-His	1042576.54	993648.40	279560.83	471436.78	632148.68	518214.95
Glu-Ser	53478.39	32386.62	55380.79	490490.44	632686.65	485817.19
Glutarylglycine	12766.12	21687.26	19197.47	220689.87	234637.97	235384.37
Glutathione	94142762.67	83834309.33	26646496.00	41352575.33	50476394.67	49414909.33
glutathione-sulfite	104992.12	79071.91	212125.12	286430.35	154547.47	235385.66
Glu-Thr-Thr	184988.24	101211.95	141717.81	-	-	-
Glycerol	286991.00	166008.67	194680.33	147712.67	97093.67	94511.33
Glycerophosphoglycerol	451950.63	400678.46	395737.86	1102718.27	1059955.40	1225665.83
Glycochenodeoxycholate	300959.61	235205.89	305095.59	254032.66	217431.95	273106.51
Glycylproline	130755.67	72083.67	227732.00	65383.33	116489.33	89446.67
GMP	95745.89	95604.74	96236.34	143358.97	116235.20	159536.75
GMP-N-ε-(N-α-acetyl lysine methyl ester) 5-phosphoramidate	45420.50	37698.33	259318.00	-	38537.00	275146.67
[GP (16:0/18:1)] 1-hexadecanoyl-2-(11Z-octadecenoyl)-sn-glyc...	956102.81	1208411.12	811627.25	243683.05	325948.72	366972.26
[GP (16:0)] 1-hexadecanoyl-2-sn-glycero-3-phosphate	2217491.33	1968523.33	1930997.33	2198199.67	1756348.33	1939566.33
[GP (18:0/18:2)] 1-octadecanoyl-2-(9Z,12Z-octadecadienoyl)-s...	603124.19	710475.85	534527.64	125448.06	146162.43	178678.38
[GP (18:0)] 1-octadecanoyl-2-sn-glycero-3-phosphate	1107862.33	1000166.67	991879.00	1056588.00	926759.00	1017042.33
[GP (20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-...	121159.00	110619.33	141751.00	204246.00	231128.00	218412.67
HEPES	625185706.67	249610064.00	752034282.67	980740608.00	867458944.00	960931093.33
herbicide 14A	269704.67	213883.00	314697.00	257489.00	200768.67	193599.67
Hexadecanoic acid	114439930.67	86619514.67	107348234.67	113808429.33	74231677.33	100116552.00
Hexanoic acid	2016647.50	3729492.42	9113911.67	6661110.00	8782804.33	8827155.00
His-Met-Trp-Ser	250803.77	39007.29	461449.80	134295.68	68838.38	300079.00
Homogentisate	95556.30	97520.80	83122.91	81177.02	54539.65	49530.80
homovanillate	100940.79	101285.92	101225.04	95744.96	83449.60	89856.61
Hydantoin-5-propionate	86524.52	108493.38	94824.39	1321185.88	1419551.00	1392339.92
hydrogen iodide	1147599.60	1290323.46	1126253.73	237116.35	262266.04	241083.01
Hydroxymethylphosphonate	931787.67	596802.33	1108430.67	885029.33	1074800.33	1071105.67
hydroxypyruvaldehyde phosphate	-	-	24652.00	97853.33	87158.33	159025.67
Hydroxypyruvate	204019.51	521148.50	671430.35	706878.69	866329.90	882669.96
Hymexazol O-glucoside	-	-	-	1842151.75	1798784.54	1946499.67
Icosadienoic acid	-	72236.00	112240.67	143385.00	154578.33	156619.33
Icosatrienoic acid	125553.65	65993.56	165547.67	234197.66	202933.92	229953.94
Iminoaspartate	39624.07	-	157051.52	-	127592.78	-
Indole-3-acetaldehyde	657536.33	376583.67	598105.33	421139.33	305195.67	361434.67
indole-3-acetyl-valine	60145.33	39233.67	75587.33	38991.33	19377.00	29886.67
Indole-5,6-quinone	35229.19	29948.73	53005.39	58205.03	53213.60	53763.86
Indoxylsulfate	569765.33	395501.00	430413.33	383128.00	279057.67	344245.33
(-)-jasmonoyl-L-valine	-	-	101844.42	192514.50	193277.47	241067.79
L-2-Amino-3-oxobutanoic acid	158642.00	132938.67	106992.00	182293.67	159658.67	206794.33
L-2-Aminoadipate 6-semialdehyde	223870.45	417493.02	517785.85	430818.98	349969.58	464854.46
L-Ala-L-Glu	214444.30	177743.16	285463.69	866971.94	867903.46	950027.25
L-Ala-L-Glu_2	157730.67	109258.00	254582.00	136355.00	157359.67	147677.33
L-Arabinonate	7434931.33	3267376.33	8580748.67	1325307.67	744966.33	1930941.67
L-Aspartate	128575629.33	103245346.67	127427445.33	211489509.33	187667898.67	210246416.00
L-Aspartate 4-semialdehyde	74332.33	87624.33	86921.67	80079.33	78716.00	85293.67
Laudanosine	167237.33	73893.33	140249.00	96565.67	108899.67	160397.67
L-Cysteate	88642.50	170794.86	244226.41	787309.73	860674.67	993876.40
L-Cysteine	-	-	5515.80	-	-	-
L-Cysteinylglycinedisulfide	23374.00	19121.00	25454.00	33000.00	31275.00	25805.00
L-Dehydroascorbate	1398261.48	1618218.04	1360021.29	5300548.00	5036104.50	5911062.17
L-Erythrulose	372716.00	335037.00	366983.33	175853.67	163623.33	235226.67
Leu-Ala-Asp	-	-	-	161391.10	142346.13	117464.78
Leu-Asp-Gly	-	9343.35	11717.18	101077.01	109678.49	108707.77
L-Glutamate 5-semialdehyde	174520.51	85691.96	276129.71	254592.55	145789.71	406635.02
L-Glutamate 5-semialdehyde_2	569214.31	554412.07	505975.96	1548706.92	907069.90	1318278.38
L-Glycericacid	215459.00	155079.00	264711.67	217019.00	134305.33	219790.33
L-Histidinol phosphate	1786822.33	1145552.67	222122.67	1770797.00	1435085.33	17980.67
L-Hypoglycin	91194.33	95210.67	163586.00	68391.00	61377.00	77153.00
Linoleate	6980332.50	2851901.17	5191024.83	4853279.33	5014048.00	5666584.33
L-Noradrenaline	64755.93	66784.04	74689.87	52542.05	52347.68	61934.95
LPA(0:0/16:0)	1446703.67	1164569.67	1167487.67	1257390.33	916292.67	1052816.00
LPA(0:0/18:0)	620180.67	690146.00	613371.33	681945.00	516872.67	591332.00
LPA(0:0/18:1(9Z))	699998.00	613222.00	604920.33	730159.67	596262.33	637726.67
LPA(0:0/18:2(9Z,12Z))	225755.06	179097.72	220207.29	191609.84	155948.22	168149.33
LPA(18:2(9Z,12Z)/0:0)	114283.33	119093.50	75628.00	101652.00	-	39680.00
L-Rhamnose	658338.42	456148.63	772754.46	720914.83	651688.85	750275.21
(L-Seryl)adenylate	8117038.33	6950678.33	8847650.00	641616.67	610964.00	755556.67
Lys-Asp	31621.67	35329.33	29066.67	132223.33	147366.00	139297.33
LysoPC(20:3(5Z,8Z,11Z))	-	74211.22	267005.03	45579.23	-	49589.51
LysoPE(0:0/20:2(11Z,14Z))	26225.00	28099.33	-	408967.00	533397.33	490899.00
Maleamate	340083.67	215850.33	265181.67	139393.33	143428.67	246287.33
Maleamate_2	718954.94	594568.35	727278.46	1234661.08	1081825.06	1276410.17
(-)-Medicocarpin	-	-	-	259393.89	214579.10	532615.97
Melibiitol	21490.99	-	-	59284.73	55353.18	86009.02
melibionate	384572.38	379001.89	370970.40	39285.65	53050.86	37699.44
Mesaconate	125041.12	126454.14	141269.86	107780.40	129945.19	126570.55
Met-Ala	-	-	145065.83	-	-	-
Met-Gly-Arg	115810.00	82982.33	114386.67	80491.33	66295.67	84156.67
Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-to...	781406.56	407228.90	711224.40	766254.44	649180.04	918396.77
Met-Met-Pro-Tyr	50995.00	35425.00	73043.67	59594.00	41464.00	88516.00
MG(0:0/24:1(15Z)/0:0)	223114.33	282814.00	245317.33	220981.00	219786.33	230063.00
momilactone A	140610.34	134397.49	151542.71	134015.22	139857.71	139458.84
Monomethyl sulfate	980833.88	1051166.40	1006713.67	922309.08	965181.52	938369.75
Muramic acid	11715259.33	10967694.33	18312419.33	19723710.00	15997832.00	30882358.67
Muramic acid_2	630451.00	206795.00	1146054.33	1095684.67	529172.00	1637681.00
myo-Inositol	939105.33	738913.00	1077604.67	5216109.33	5140193.00	5842969.33
N2-Acetyl-L-aminoadipate	3093598.83	3342512.83	2787048.75	8393885.83	9536111.83	10282494.67
N2-Acetyl-L-aminoadipate_2	39675.00	41918.67	48215.67	189667.00	158773.33	176536.00
N-(2-hydroxypentadecanoyl)-4,8-sphingadienine	44066.71	109108.74	99735.18	83316.04	68666.48	115660.93
N3-fumaramoyl-L-2,3-diaminopropanoate	472449.70	280589.62	641407.39	510177.88	386078.62	578851.86
N4-(Acetyl-beta-D-glucosaminyl)asparagine	849537.67	693285.00	1961883.00	514729.50	439602.00	823770.67
N4-(Acetyl-beta-D-glucosaminyl)asparagine_2	227215.67	287160.33	237055.33	848644.33	863213.00	902187.67
n-Acetylasparagine	20297.31	50298.15	23693.14	90123.52	58637.19	138696.42
N-Acetyl-D-fucosamine	46782.68	87649.50	19722.54	85385.04	86849.22	89126.12
N-Acetyl-D-fucosamine_2	-	173660.33	-	86036.62	163136.29	82715.55
N-Acetyl-D-glucosaminate	1090669.25	1108803.10	1152195.83	588684.68	282566.59	890401.15
N-Acetyl-D-glucosamine	46070.33	45193.67	37341.33	115964.33	117161.67	113833.00
N-Acetyl-D-glucosamine 1,6-bisphosphate	88574.00	57669.00	91540.67	234716.67	194206.00	238716.33
N-Acetyl-D-glucosamine 6-phosphate	349049.33	268675.33	366696.67	1441933.67	1306809.33	1477493.33
N-Acetylgalactosaminate	-	-	-	594152.84	635746.08	564058.14
N-Acetyl-L-glutamate 5-semialdehyde	1652155.67	514783.00	3023658.33	828926.00	1916723.67	1197356.00
N-Acetyl-L-glutamate 5-semialdehyde_2	359446.54	399388.86	318439.48	3244999.33	3187691.00	3024416.42
N-Acetyl-L-leucine	237335.33	148578.33	467329.33	457773.67	547358.00	595044.33
N-Acetyl-L-leucine_2	743748.69	743524.40	715011.94	69839.73	76098.64	90750.32
N-Acetyl-L-phenylalanine	184741.33	135724.33	321664.67	374721.00	433707.67	481509.67
N-Acetylmuramate	20700.84	25872.23	45569.56	12088.48	23901.81	43737.18
N-Acetylneuraminate	329115.33	248005.33	315800.67	6114416.33	4398704.00	6139899.00
N-Butyryl-L-homoserine lactone	335122.49	296284.80	762655.35	521812.16	638678.54	532898.47
N-Butyryl-L-homoserine lactone_2	101274.74	110921.09	259242.36	182459.69	189165.19	199098.66
Neuraminic acid	477319.88	424778.04	993689.90	877713.00	1045146.67	2529596.25
N-Formyl-L-aspartate	28247.20	40444.23	33935.92	136156.30	131789.51	196192.38
N-Formyl-L-methionine	727206.27	567901.08	589240.58	576759.75	304987.33	621887.25
N-Glycolyl-D-glucosamine	72367.80	38867.00	134202.81	508922.79	426268.34	981600.21
N-Glycosyl-L-asparagine	701189.00	206450.00	1335794.00	1218269.33	669675.00	1989694.33
N-hexanoyl-D,L-homoserine lactone	23921.22	26165.60	155991.01	188478.89	208442.35	237629.10
N-Hydroxy-1-aminonaphthalene	29177.49	56719.85	222017.88	248002.18	308268.95	259533.61
N-hydroxyisoleucine	20889.72	28159.17	30721.41	173735.12	172655.40	156549.72
Nitrilotriacetic acid	16190.68	-	76091.29	27745.46	58811.94	38571.06
N-(L-Arginino)succinate	-	-	-	64738.81	57435.04	63423.43
nocardicin G	80037.47	105321.57	75146.48	-	-	26658.21
N-oleoyl threonine	-	-	114650.43	352762.50	356983.13	427176.73
Nonanoic acid	7903015.17	9208258.33	10321162.67	7683347.67	8776321.00	8447912.00
nonulose 9-phosphate	68076.30	71911.11	76609.57	408231.75	555441.07	600345.04
nonulose 9-phosphate_2	-	155731.67	-	726296.04	968077.17	671306.35
Norepinephrinesulfate	98371.00	66689.00	98022.00	7988.00	7106.00	11799.33
N-Succinyl-L-glutamate	384481.02	150987.11	369194.92	57121.26	43573.93	96912.67
N-Succinyl-L-glutamate_2	-	-	-	714411.35	783251.31	739140.65
N-Undecanoylglycine	3953001.58	6261941.17	6486690.83	3662108.00	3634116.58	4046150.58
N-Undecanoylglycine_2	267375.41	336833.88	291855.28	308655.43	270621.36	317775.06
O-Acetyl-L-homoserine	361030.72	406355.65	653951.67	1019843.46	1189959.71	1110827.25
O-Acetyl-L-homoserine_2	367868.67	114847.33	632854.00	527809.00	252324.00	778238.33
Obliquine	203831.00	95657.67	201318.33	110752.33	210545.00	128822.67
Octadecanoic acid	66012460.00	46634352.00	49017208.00	59572753.33	34822353.33	50962014.67
octulose 8-phosphate	411989.67	313919.67	487449.33	659579.00	359985.00	930539.67
omega-Cyclohexylundecanoic acid	568318.04	620933.06	1057298.04	1486676.88	2138702.00	2308114.67
Orotate(Fragment)	241362.87	274764.03	230560.40	452622.98	516129.89	553868.17
Orotidine	1032010.56	1126955.35	921934.94	2412469.00	2589818.17	2877133.25
Otonecine	255265.67	221270.00	721788.67	456175.33	569093.67	707104.33
Oxalate	279769.46	225266.25	325737.34	225399.38	203780.73	270666.34
Oxalosuccinate	19886.79	13307.31	20115.36	122891.27	184317.40	211894.59
Oxoamide	82597.33	49354.00	91972.67	59136.00	53494.00	58837.00
PA(36:1)	336962.46	459290.15	323028.21	-	-	-
PA(36:3)	551890.67	601173.33	350802.00	192275.67	175336.00	228649.67
PA(36:4)	719732.67	589670.67	411151.00	319158.67	244592.67	296149.67
[PC (15:1)] 1-(1Z-pentadecenyl)-sn-glycero-3-phosphocholine	274058.24	331168.01	316114.30	170008.81	90180.94	136381.40
[PC (17:0)] 1-(10Z-heptadecenoyl)-sn-glycero-3-phosphocholin...	38251.00	65139.33	35947.33	227023.67	326870.00	287601.67
[PC (7:0/8:0)] 1-heptanoyl-2-octanoyl-sn-glycero-3-phosphoch...	18088.22	80428.49	140078.79	838897.33	1020754.98	1028296.73
[PC acetyl(18:2)] 1-(9Z,12Z-octadecadienoyl)-2-acetyl-sn-gly...	-	136116.43	315320.65	326714.14	414661.06	387357.57
P-DPD	284952.67	161034.00	305823.67	708661.67	324340.67	764504.33
PE(14:0/22:5(4Z,7Z,10Z,13Z,16Z))	163051.67	132647.00	132748.00	279233.00	189482.33	190368.33
[PE (16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phosphoethanolam...	218729.18	225862.09	242885.98	98105.06	59715.41	79745.08
[PE (18:0/18:2)] 1-octadecanoyl-2-(9Z,12Z-octadecadienoyl)-s...	721632.33	707646.33	607319.33	240223.00	253298.00	215341.67
[PE (18:0/20:4)] 1-octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetra...	1434696.67	1272262.33	985936.67	2714248.67	2341835.67	2227029.67
PE(20:2(11Z,14Z)/18:3(6Z,9Z,12Z))	1653281.12	1528799.88	1064803.83	1959381.04	1438219.83	1396795.50
PE(22:4(7Z,10Z,13Z,16Z)/P-18:0)	443025.06	436348.95	305708.45	216183.97	150229.25	194376.92
penem CGP31608	72539.57	93628.59	36637.28	67845.80	46023.77	47945.45
penem CGP31608_2	147794.29	218728.36	266062.58	410887.56	318835.15	401388.89
Pentanoate	216277.33	253764.84	294674.94	341569.25	407968.27	294587.11
perchlorate	640583.67	63599.67	120594.33	80013.67	137560.67	72871.00
PG(36:3)	-	-	-	486136.61	380599.58	418748.64
PG(40:8)	-	-	-	93496.59	97045.95	88323.66
PG(P-16:0/15:1(9Z))	-	66360.32	103841.32	308626.58	382028.22	390832.31
Phenol	77125.71	82909.42	86699.14	89008.28	63655.21	68495.62
Phenol sulfate	208044.31	181572.66	256285.79	189790.96	152647.52	189254.07
Phenolsulfonphthalein	78482794.67	66381362.67	85655578.67	48925917.33	41694697.33	48745201.33
Phenylacetaldehyde	78456.93	53133.44	55088.26	43432.34	73803.82	54339.10
Phenylacetylglycine	2331372.33	3644862.92	3012007.42	2414275.92	2620563.17	2748747.75
Phenylpyruvate	88010.66	102493.75	131560.32	86930.71	78529.73	90227.47
phlorisobutyrophenone	46828.14	48323.94	70206.40	67294.25	55136.30	40236.29
phosphinomethylmalate	429702.67	289795.33	439766.67	321228.00	171715.67	285898.67
Phosphodimethylethanolamine	-	30735.22	35087.16	551098.26	504948.24	636634.58
Phosphoenolpyruvate	1178924.67	471085.33	1722159.67	1187899.00	862311.00	1679078.67
Phthalate	480714.89	846905.90	783765.23	914766.50	880516.19	1154412.88
[PI (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1-myo-inosi...	104176.03	113518.40	123092.27	544493.04	535090.20	601136.85
PI(36:2)	467110.78	361511.32	290702.46	185450.59	157712.16	220985.11
PI(36:4)	1081692.54	895458.17	814858.17	319749.14	264215.62	246028.26
PI(38:4)	2777713.67	2432204.00	1809597.67	3802115.33	4140027.33	3912788.33
PI(38:5)	545540.76	467384.06	358122.36	468753.57	447723.30	455446.20
PIPES	21939768.67	18540462.33	21304804.67	19806211.33	20556887.67	22122735.33
[PR] 2-methylbacteriohopane-32,33,34,35-tetrol	59614.96	-	70296.75	61669.48	56903.17	65683.34
[PR] 9-Hydroxy-helminthosporol	54226.11	84349.01	131560.24	231197.05	278860.80	267934.08
[PR] Citronellyl acetate	84642.32	64914.68	96058.93	127317.45	147096.18	161524.34
Progesterone	238766.83	123337.55	115421.04	116535.32	170594.11	128553.65
[PR] Tretinoin/All-Trans Retinoic Acid	1245776.67	843473.00	805377.33	1374640.00	790494.33	762814.33
[PS (10:0)] 1,2-didecanoyl-sn-glycero-3-phosphoserine	60106.58	303941.99	348337.00	212982.16	324196.56	376285.84
PS(13:0/12:0)	54045.48	154907.39	291808.78	178962.70	259216.89	296879.41
PS(15:0/22:4(7Z,10Z,13Z,16Z))	344830.00	220208.67	254867.00	545255.67	625468.67	610009.67
[PS (18:0)] 1-octadecanoyl-sn-glycero-3-phosphoserine	353630.97	701324.75	1003980.19	831612.71	792048.88	1079803.44
[PS (18:0/22:6)] 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-doc...	10289106.33	8173846.33	5595947.00	2857955.33	2490932.33	2615446.67
PS(19:1(9Z)/22:2(13Z,16Z))	103545.33	62743.67	-	339254.67	242274.00	287325.67
[PS (20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-...	175093.67	136461.00	104001.00	226484.00	189773.00	223152.67
PS(40:8)	316849.00	296156.33	194801.00	185748.00	170163.00	168239.67
Pseudouridine	40429.00	42112.00	40225.00	278521.67	255663.00	237485.33
Pseudouridine_2	-	-	-	978380.27	1124032.60	973694.63
PS(P-18:0/17:2(9Z,12Z))	126293.33	165540.00	230642.00	210554.00	219131.67	236710.00
Pyruvate	3154074.67	1859117.33	3367451.67	1549017.00	1306275.33	1854254.00
Quassin	69235.72	25940.99	41703.06	20736.03	34886.07	35173.26
Quinate	1219128.08	1856444.21	1039545.00	53673.57	66448.89	77387.27
(R)-2,3-Dihydroxy-3-methylbutanoate	370521.67	329243.00	366474.00	230225.67	228014.67	252446.00
(R)-3-Hydroxybutanoate	95578.33	62101.00	119807.67	90233.67	77850.67	91752.33
(R)-AMAA	21249.18	10787.02	51588.01	31740.02	114375.43	76134.70
(R,R)-Tartaric acid	223451.81	136792.53	237894.44	112485.40	88317.50	120663.40
(R)-S-Lactoylglutathione	75402.55	83920.09	74462.16	139447.74	104504.20	187105.63
(S)-1-Pyrroline-5-carboxylate	5144072.33	2710677.33	6415945.67	2097429.67	1027472.00	2360755.00
(S)-2-Aceto-2-hydroxybutanoate	256361.67	218996.33	281684.33	283883.33	231271.00	276173.33
(S)-3-Methyl-2-oxopentanoic acid	1426890.33	941815.79	1440754.71	6502092.17	5311594.67	5380770.67
Salicylaldehyde	143849.33	124476.00	144577.33	117398.67	135259.67	109270.67
(S)(+)-Allantoin	39253.16	27413.62	54831.24	27743.39	26548.75	26579.46
Sedoheptulose	118169.00	109741.67	121017.00	17760.00	17292.00	21147.67
S-(Formylmethyl)glutathione	60576.21	63925.82	46597.09	102658.92	92717.07	99086.10
Sinapoyl aldehyde	72173.67	56282.67	86711.00	42132.33	50989.50	52853.67
sinapoyltyramine	-	-	-	157679.85	138253.14	130950.67
(S)-Lactate	4232616.00	3338832.50	4323574.17	7671403.17	7110970.50	8075838.33
(S)-Malate	3686767.58	3839213.25	3894434.33	40558013.33	39549832.00	41074801.33

10-Hydroxydecanoic acid

137385.99

174767.31

191141.18

215523.79

330586.67

312853.09

10-Oxodecanoate

96454.19

90956.46

158093.82

172794.45

270585.95

302003.09

10-oxogeranial

48064.03

40115.11

76839.85

68611.43

53060.51

79049.88

1,2-dioctanoyl-1,2,6-hexanetriol

1385990.29

1592719.21

1455225.38

1407412.58

1254570.21

1426792.25

12-Hydroxydodecanoic acid

82612.67

70750.67

59162.33

41016.33

66557.00

74912.33

1,4-Bis(2-ethylhexyl) sulfosuccinate

258131.70

461343.44

244205.65

297100.11

264938.14

519868.72

1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide

78602.00

-

72566.00

-

1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one

104925.32

135694.30

172064.90

139173.18

200824.38

177063.89

16-hydroxypalmitate

322476.28

408088.65

705755.04

852825.35

1013041.94

1038528.75

1-Aminocyclopropane-1-carboxylate

94463.00

64999.33

96820.33

76122.67

88309.00

72552.00

1-Aminocyclopropane-1-carboxylate_2

164527.84

131473.45

177692.32

538192.20

475536.74

511052.24

1-naphthalenesulfonamide, n-(6-aminohexyl)-5- chloro-

234887.40

121791.62

275932.30

-

(1R)-Hydroxy-(2R)-glutathionyl-1,2-dihydronaphthalene

24664.82

-

31600.30

-

(1S,2R,4S)-(-)-Bornyl acetate

334391.56

244657.02

433161.02

778907.10

625535.75

735389.31

2,2-Iminodipropanoate

123708.23

108833.67

134328.47

661736.58

612895.48

678392.54

2,3,5-Trihydroxytoluene

26729.33

23664.00

164570.00

28123.67

29542.00

113391.00

2,3-Bisphospho-D-glycerate

1165138.67

158833.67

1204572.67

3494660.00

3083575.67

6615709.67

2,7-Anhydro-alpha-N-acetylneuraminic acid

4807545.17

5263364.83

4878017.83

11114515.67

11805105.67

11551450.67

2-(Acetamidomethylene)succinate

39484.75

38902.17

78930.07

180674.57

212145.38

213437.46

2-Acetolactate

3703262.67

2571579.67

8401507.33

3346028.33

3025001.33

6282413.00

2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate

-

77820.81

88049.28

134405.02

2(alpha-D-Mannosyl)-D-glycerate

1647929.92

1709962.92

2595347.50

3225415.25

3226019.50

6046574.33

2-Aminoacrylate

6758.33

5285.33

6995.00

178655.00

128604.67

157912.33

2-Aminomalonate semialdehyde

-

51746.77

-

166914.59

122485.79

257116.47

2-Butenoate

891717.02

647586.88

2141860.08

868547.52

728827.88

1716602.42

2-Butyne-1,4-diol

120457.33

87865.67

145900.00

205935.67

174545.67

208099.00

2-Dehydro-3-deoxy-D-gluconate

2032502.12

2688379.25

2082217.25

333939.57

383183.23

406316.75

2-Dehydro-3-deoxy-L-arabinonate

276650.00

244292.00

291359.33

264177.33

258984.33

277213.00

2-Dehydro-D-xylonate

71588.28

72803.28

83431.42

139206.09

136648.20

137980.88

2-Dehydro-D-xylonate_2

69533.00

51833.00

84111.67

61525.00

46931.67

85423.00

2-Deoxymugineic acid

170921.53

29989.34

155025.65

23768.19

25473.29

36584.82

2-Ethylhexyl phthalate

10972933.00

4677357.00

13509929.00

8454219.33

5308144.00

7631433.33

2-Formaminobenzoylacetate

112354.33

50504.00

191035.33

54526.00

109617.67

71886.00

2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestan

2708530.33

2197395.67

2926953.67

1635673.67

1426996.67

1645493.33

2-Hydroxy-2,4-pentadienoate

11474954.33

7787639.33

25699553.33

11445415.00

9548699.67

21358571.33

2-Hydroxybutane-1,2,4-tricarboxylate

52689.00

98897.67

76879.67

298532.00

298496.33

319040.33

2-Hydroxyethanesulfonate

381412.59

259577.38

464670.65

350975.68

307613.72

387274.26

2-Hydroxyethanesulfonate_2

354630.67

207769.33

312430.00

374413.00

3792421.00

243531.00

2-hydroxymethanesulfonate

170734.33

168175.16

121928.41

102389.23

64945.94

107313.22

2-(Hydroxymethyl)-3-(acetamidomethylene)succinate

22745.67

14514.33

24013.00

3203199.00

2794802.33

3225602.67

2-isocapryloyl-3R-hydroxymethyl-γ-butyrolactone

801132.88

883257.06

672193.25

652573.75

716007.21

723929.52

2-Octenedioicacid

160627.61

133855.51

174458.96

105712.25

144346.30

125679.22

2-Oxoadipate

253568.31

163047.36

370976.51

297926.68

228444.33

359965.43

2-Oxoglutaramate

294963.00

94445.67

521924.33

231726.33

557031.33

358362.67

2-Oxoglutarate

4240248.17

4374704.42

4009946.92

2033379.38

2565420.83

2408630.88

2-Oxooctadecanoic acid

606391.06

935686.94

1345438.62

6353017.17

8813682.67

9513525.67

2-oxosuberate

38121.00

29396.33

85947.67

39069.00

30029.00

52404.67

2-Oxosuccinamate

46637.92

24896.48

89419.88

34755.77

99715.99

61055.09

(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate

368285.03

376617.64

414102.06

334115.60

321396.32

355034.17

(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate_2

85170.23

45010.44

146912.17

83529.20

64640.30

153964.87

2-(sulfomethyl)thiazolidine-4-carboxylate

116705.33

22213.00

346303.00

122181.33

102593.33

112061.00

2-trans,6-trans-Farnesal

317812.27

312440.39

364994.85

269723.65

259234.02

235706.07

3,4-dihydroxybenzylamine

5687270.00

4484108.00

6509417.67

3510580.33

3128799.67

3141826.00

3,4-Dihydroxymandelaldehyde

-

96553.30

41186.77

-

65036.32

3,4-Dihydroxypyridine

24021.67

20783.33

27980.33

1323516.67

1160638.00

1295660.33

3-(4-Hydroxyphenyl)pyruvate

119679.61

86169.07

106731.62

68897.40

74419.83

90309.61

3,6,8-Trimethylallantoin

103262.67

41084.67

209976.33

20535.67

64916.33

37751.67

3,7-Dimethyl-2E,6E-decadien-1,10-dioic acid

39343.48

101655.13

367041.15

444462.33

498034.31

422905.50

3-acetyl pyridine adenine dinucleotide

15107.60

29188.20

34304.05

46742.75

50360.53

115415.77

3-(ADP)-glycerate

22548.01

13386.94

24730.75

138556.71

106090.87

130870.10

3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-al

100879.75

491849.49

487501.65

228141.71

424728.41

626350.75

3beta-Hydroxyandrost-5-en-17-one 3-sulfate

614230.33

354573.00

698942.67

454100.00

320588.00

392796.67

3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid

142428.33

61031.68

170097.17

81285.81

94064.21

84891.71

3-Dehydrocarnitine

178519.00

139154.00

228194.33

192604.33

156243.67

144194.67

3-Dehydroquinate

59253.01

51950.28

61545.54

93876.08

60982.52

96365.41

3-dimethylsulfoniopropionaldehyde

799818.00

550040.33

12135.00

725756.00

682325.33

14619.00

3-hydroxyacyl group of bacterial toxin

184750.74

634479.71

954207.67

215101.76

213635.58

374173.73

3-Hydroxydodecanedioicacid

91016.59

252631.48

347790.51

244748.06

427763.73

419512.26

3-Methylbutanoic acid

715878.92

697545.23

752585.94

1651865.12

1607951.38

1530262.92

3-Phospho-D-glycerate

2827569.33

1269091.00

3843875.67

2918397.67

2218797.33

4338875.00

3-Phospho-D-glyceroyl phosphate

127082.67

126672.33

180089.00

115869.33

120435.00

118570.00

3-Phosphonopyruvate

218305.66

240190.57

214569.22

877207.00

770581.71

997418.60

(3R)-beta-Leucine

3021804.00

2343052.00

3675201.33

3258938.67

2835406.33

3199486.00

3-Sulfino-L-alanine

163016.33

91878.67

166607.00

621563.33

467685.67

640607.67

3-Sulfolactate

108683.53

90284.11

76964.00

221525.41

196239.07

205142.51

3-sulfopropanoate

141808.00

119993.33

159698.33

154930.67

126244.00

113584.33

4-(2-Aminophenyl)-2,4-dioxobutanoate

768880.33

238010.00

1294114.33

256829.50

609576.33

506443.67

4-(2-Aminophenyl)-2,4-dioxobutanoate_2

123764.70

-

268488.81

507457.49

440121.39

916686.83

4-Amino-4-deoxychorismate

353161.69

352598.21

403850.52

278045.52

256068.52

277637.44

(4E)-2-Oxohexenoic acid

37255.79

64682.74

125104.71

55442.16

88339.60

59437.30

4-Hydroxyhexan-3-one

1003768.33

1126759.83

1720022.83

1525967.29

1574676.92

1638746.75

4-Hydroxyphenylacetylglycine

245845.00

343212.67

455083.67

559915.67

370453.67

449338.67

4-Hydroxyphenylacetylglycine_2

-

236988.75

175293.78

206655.88

4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde

311888.61

319764.28

295980.46

258023.45

251616.55

284257.01

4-Methylene-L-glutamate

148302.54

126976.79

140187.01

105251.70

107460.48

117507.21

4-Methylpentanal

872972.33

986672.33

677500.67

511573.33

407704.33

713991.33

4-Nitroaniline

47380.85

77539.88

54099.15

34839.42

108509.74

33262.79

4-Nitrophenyl-3-ketovalidamine

-

156417.14

165021.53

141513.56

4-Oxoglutaramate

18907.67

18084.00

22233.00

102136.33

104217.00

91697.67

4-Propylphenol

79887.74

112940.72

176383.46

107323.51

61699.62

56019.11

5,6-Dihydroxyindole-2-carboxylate

-

538228.48

501266.03

445637.59

555549.05

5-Acetamidopentanoate

918910.33

1567721.33

2599998.00

2049181.33

1849062.67

2614553.67

5-Acetamidopentanoate_2

14734356.33

16589118.00

14073569.67

237892.48

276291.17

349349.88

5beta-Cyprinolsulfate

88977.00

216967.00

207834.33

345751.67

146901.00

428578.00

5D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone

459608.33

436060.01

480733.92

196981.92

160206.60

213310.98

5-Dehydro-4-deoxy-D-glucarate

336230.21

494213.20

612781.50

361922.22

490831.45

454883.46

5-Deoxy-5-aminoshikimic acid

19864.33

15745.67

20159.67

694853.67

639541.00

688083.33

5-Hydroxycotinine

183750.93

143692.67

173573.00

89827.38

103772.74

97875.72

5-Hydroxyectoine

25760.78

19030.87

65521.36

13695.21

50088.23

25205.47

5-Hydroxyisourate

67991.91

85777.12

172277.06

99825.19

119550.91

130189.33

5-Hydroxypentanoate

545729.33

376987.33

470628.67

498940.00

364280.67

378700.67

5-Phenyl-1,3-oxazinane-2,4-dione

2662461.33

846485.00

4576302.33

861802.67

2345275.67

1420875.33

6-Acetyl-D-glucose

29211.67

13832.00

70151.33

153948.00

146946.33

198960.67

6-Acetyl-D-glucose_2

184817.10

194731.06

262035.32

265309.05

187526.11

384239.53

[6]-Gingerol

10171436.67

14835889.00

11430367.67

8529835.17

10014801.00

8006930.50

(+/-)-6-Hydroxy-3-oxo-alpha-ionone

18343.77

41519.08

90552.76

57412.38

89168.32

85272.12

6-Phospho-D-gluconate

473082.00

359901.33

510851.00

1752325.67

1609909.33

2574710.33

(6Z)-Octadecenoic acid

270008.90

267249.40

246558.35

240756.85

258352.86

280175.32

7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one

-

100255.00

91021.95

58586.01

111581.65

144438.76

7E,9E,11-Dodecatrienyl acetate

745503.90

1071061.08

844599.83

685079.83

756141.19

621193.52

8-keto-7-aminoperlagonate

885443.08

779851.21

2195987.38

1640197.50

1853804.83

1886069.96

9-Oxononanoic acid

469873.12

726131.12

1257017.67

648604.44

1154096.08

1124960.27

(9Z)-Hexadecenoic acid

2719961.00

1082871.67

1725494.00

2733853.42

4024585.08

3666391.58

(9Z)-Tetradecenoic acid

385961.16

178429.04

287211.18

212582.61

337593.35

344427.15

Abscisic acid glucose ester

117495.69

154684.35

210733.80

178726.73

282875.12

303859.46

Abscisic aldehyde

-

52060.76

181826.95

65213.11

164469.99

132646.48

Acetyl-CoA

91443.33

61423.33

100330.00

62014.67

58127.33

53280.67

ADP

33498044.67

26826886.00

37411932.00

21085723.33

15279626.00

21056590.00

ADP ribose 1,2-phosphate

396918.39

303820.38

388478.09

608447.58

507169.70

551736.59

A-Ketoglutaricacidoxime

11832.15

18779.47

65286.92

69486.34

91778.38

73402.90

Ala-Asn-Asp

42425.64

36929.18

29572.50

112230.35

128013.24

127791.56

Ala-Asp

27107.39

45373.21

30163.30

89336.19

109969.26

94811.52

Ala-Asp-Asp

17142.67

22596.67

20122.33

515123.00

575289.33

610644.00

Ala-Asp-Ser

82184.67

117551.00

69341.67

264621.33

241485.00

295006.00

Ala-Ser-His

53796.18

61878.53

121628.93

153063.08

126001.29

255879.07

alpha-D-Glucosamine 1-phosphate

118514.05

115739.06

106205.12

61294.57

70129.98

68354.06

alpha-D-Glucosamine 1-phosphate_2

3163587.33

3308118.50

2998090.42

9107416.50

10279221.33

10152783.67

alpha-D-Glucose

319436.67

327399.16

592995.02

347165.50

391437.30

538224.00

alpha-D-Mannoheptulopyranose

126934.76

119523.92

110719.77

-

alpha-(Methylenecyclopropyl)glycine

227465.33

160111.33

281997.67

229975.33

228102.00

251744.33

ancymidol

338463.69

294778.61

326495.69

152069.66

153920.43

155665.21

Apiole

660332.67

604331.67

564149.33

630454.00

649021.67

704983.33

Arecoline

134742.00

112227.67

147612.67

135455.00

127448.67

124216.67

Arg-Cys-Gln-Tyr

188825.38

274855.11

155884.19

249334.37

235087.05

244075.77

Arg-Leu-Val-Asn

25416.86

27724.53

26909.47

189463.32

195004.93

209974.00

Ascorbate

14606902.33

3342202.83

17620048.00

7017705.50

4305729.08

11216793.67

Asn-Asp-Asp-Pro

-

393702.43

396178.17

456712.77

Asn-Asp-Gly

23343.74

29945.73

21554.71

208304.03

238890.94

254222.53

Asn-Gln-Tyr-His

-

16223.92

-

21665.96

Asn-Gly

44719.33

-

46755.67

191022.00

130221.00

196887.67

Aspartyl-L-proline

29028.35

29477.99

26589.10

1061585.29

1113509.12

1054533.27

Asp-Asp

223394.35

239114.81

220801.47

733819.48

802301.88

814373.50

Asp-Asp_2

-

17949.31

58839.93

39758.14

Asp-Gln

38553.13

36581.04

88630.93

84577.61

114083.01

106249.89

Asp-Gly-Ser

-

30019.05

-

120720.42

111778.57

133172.63

Asp-Gly-Tyr

-

99560.60

95689.45

98499.43

Aspidinol

-

29080.05

163871.40

80224.00

78398.92

99751.04

Asp-Leu-Lys-Lys

9364.20

9776.30

9597.78

95403.90

96599.25

102073.94

Asp-Met-Cys-Cys

-

442251.98

500867.90

468073.15

Asp-Ser

25293.00

39161.00

29101.00

103992.67

118588.33

101898.33

Benzoate

2223071.33

1504616.00

1820907.67

1983467.33

1786599.67

1530977.33

Benzofuran

1289835.00

1038339.00

1429263.67

875007.00

809569.33

772999.00

beta-D-Glucose

500251.34

340822.49

828577.81

499073.55

434555.44

843065.79

Botrydial

733691.58

739754.15

591157.08

623617.54

570653.83

656388.98

Brassicanal A

120341.77

198260.40

1569864.17

455173.55

565080.77

648743.12

Butanoic acid

201858.67

188528.67

180721.67

314930.67

301435.33

267983.00

CAI-1

581272.67

376025.33

464201.33

562375.00

681451.00

765583.00

Camoensine

386578.48

245270.74

429914.51

240116.96

161347.23

237299.77

Cantleyine

975423.67

793635.33

1465679.00

1648909.67

1831861.00

1883089.00

Capryloylglycine

119464.00

141467.00

88673.00

165474.33

136682.67

110564.67

Capryloylglycine_2

609311.39

829456.71

1197496.96

585489.09

688031.65

616918.79

Cardiospermin

71284.23

73999.49

103382.78

85149.88

72745.26

54815.43

CDP

-

113215.72

80923.46

93541.64

Cer(d18:2/16:0)

39087.59

49978.10

53605.13

438957.71

376061.78

454598.44

Cholesterolsulfate

2499451.67

2435493.92

1963406.00

2332901.75

2222716.50

2243914.08

cis-1,2-Dihydro-3-ethylcatechol

22014.42

40074.83

72793.07

57610.13

89217.25

93144.58

cis-3-Chloroacrylic acid

-

27738.25

-

Citrate

35791066.67

18356494.67

43883772.00

63658368.00

54639368.00

65502533.33

Clitidine 5-phosphate

74335.08

47527.14

102208.19

-

CMP-N-acetylneuraminate

20519.05

12007.60

-

1511850.08

1413716.50

1506386.62

CoA-glutathione

42882.76

26746.11

34855.77

120129.20

83623.47

115852.33

Cyanuric acid

402866.00

41094.33

41890.33

62252.33

41960.00

45974.00

Cyclic ADP-ribose

1661105.33

1468648.33

1722025.67

4248065.33

3801365.00

4268986.67

Cyclohexane-1,3-dione

34292.63

51118.22

78534.46

105667.28

100596.47

140318.50

Cys-Met-Met-Phe

-

56774.33

168211.44

101488.43

Cys-Met-Pro-His

159485.37

149741.13

181856.80

164175.15

151060.93

207022.10

Cys-Thr-Ser-Tyr

69570.84

89284.26

263946.85

145947.89

144511.89

-

D-Alanyl-D-alanine

39934.24

18957.08

47790.91

31053.92

23064.98

27345.00

dATP

69887.67

38500.33

79008.67

102938.00

88629.00

120233.33

Decanoic acid

1745045.62

1344086.21

1554523.00

1739397.58

1650975.79

1497715.38

Dehydrojuvabione

152772.27

420230.49

307684.29

132181.28

179988.78

190379.98

Demethyltorosaflavone D

725236.58

641877.94

657794.10

372162.40

385064.78

333058.75

D-Fructose

45167382.67

37454523.33

46469777.33

5698980.33

6772302.83

5280662.67

D-Fructose 1,6-bisphosphate

730814.00

289472.00

1066361.33

1266871.00

1118881.67

3863550.33

D-Galactose

468683.26

457154.63

936930.44

593089.70

461077.02

1110004.00

D-Galacturonate

3294152.08

3459319.83

3366665.17

455457.17

514430.72

654001.04

D-Glucarate

382140.02

335835.48

382387.25

39468.58

36338.02

39942.16

D-Gluconic acid

57741866.67

62863777.33

53622928.00

2410717.38

2685491.33

2706280.08

D-Glucose

29976406.67

18905916.67

67662644.00

27635294.67

22731264.00

54059840.00

D-Glyceraldehyde 3-phosphate

20842.00

20318.00

35478.33

93008.67

90477.00

113671.67

D-Glycerate

175529.67

146605.00

250176.67

217417.33

194195.00

263196.33

Dichloroacetate

110095.99

-

579555.94

-

237441.43

59423.46

Diethofencarb

-

24445.89

112200.58

588489.27

602104.15

562976.81

Diethyl 2-methyl-3-oxosuccinate

120344.76

172767.77

215241.83

89415.58

156062.46

139455.95

Diethyl adipate

342664.46

468179.79

560287.91

251340.30

404842.34

283137.75

dihomocitrate

6659.72

5792.32

7690.62

106918.68

117776.15

111762.85

D-Mannose

525874.16

430915.06

1026997.33

596095.23

387108.28

1029213.22

D-Mannose 6-phosphate

18427852.33

19774993.00

19982703.33

1802318.58

1436887.08

2454221.17

Docosahexaenoicacid

358994.78

250243.71

134423.24

216172.01

154786.11

171094.81

Docosanoic acid

142991.19

170196.28

150715.29

259832.02

213101.76

249227.06

Dodecanedioic acid

67107.08

142467.32

184527.93

154993.75

282658.40

318704.84

D-Proline

434384.00

335381.67

534532.00

508130.33

588012.00

707513.33

D-Ribose 5-phosphate

191287.00

153222.00

255909.33

177807.33

182444.00

402271.00

D-Sedoheptulose 7-phosphate

522556.67

474758.67

2480275.67

1476216.33

788808.33

4316435.67

D-Sorbitol

36892398.67

40802629.33

38563165.33

3632198.83

3130698.92

5185490.50

dTDP-3-oxo-4,6-dideoxy-alpha-D-glucose

517165.67

410738.67

608015.67

413596.00

413077.00

313754.00

dXMP

1678936.79

1790732.21

2096004.92

4735642.67

4711083.17

5644121.67

D-Xylonolactone

10629899.33

12803400.67

10171919.67

23058381.33

22579825.33

21909577.33

D-Xylulose

1858929.33

1154470.67

4017769.00

1712443.00

1463814.00

3206752.33

Ecgonine

170354.01

199015.91

157844.04

90306.52

84167.40

82162.53

ethanedisulfonate

615998.00

253653.33

754952.67

864080.33

834099.67

896443.33

ethyl-(2R)-methyl-(3S)-hydroxybutanoate

278438.16

449697.56

931555.96

573982.29

904388.00

853278.31

Ethyl 3-oxohexanoate

187456.05

166640.03

245820.19

177118.57

195748.53

267256.35

ethylpyruvate

168693.06

174738.25

167857.79

327484.01

336504.85

299486.02

Ethyl (R)-3-hydroxyhexanoate

109407.37

128719.46

233620.33

177485.30

234351.40

182590.09

[FA (10:1/2:0)] 2E-Decenedioic acid

103832.32

198678.87

284995.00

159114.19

273444.54

274542.84

[FA (11:0)] undecanoic acid

420025.33

304665.67

326470.33

429416.00

392969.33

455302.67

[FA (11:1)] 10-undecenoic acid

59567.35

67309.30

93924.21

101484.78

135315.44

97488.51

[FA (13:0/2:0)] Tridecanedioic acid

158991.00

134970.33

111105.67

111702.67

80721.00

113682.00

[FA (13:2)] 3E,5E-tridecadienoic acid

205043.74

149432.49

136331.07

155531.08

149655.43

167906.45

[FA (14:0/2:0)] Tetradecanedioic acid

61142.33

61559.00

82760.00

34857.33

45949.00

55798.00

[FA (14:2)] 5,8-tetradecadienoic acid

112840.58

29539.01

36271.91

40015.12

92916.65

43112.36

[FA (17:0)] heptadecanoic acid

1808216.88

2367214.92

3300097.83

3191163.83

4529648.33

4552040.33

[FA (18:1)] 9Z-octadecenoic acid

12695324.33

7015070.00

12271554.67

11354576.00

10866014.33

12039900.00

[FA (18:2)] 9S-hydroperoxy-10E,12Z-octadecadienoic acid

230484.28

159055.96

504066.39

430637.85

606426.12

703259.21

[FA (18:2)] 9Z,11E-octadecadienoic acid

107734.65

130376.48

100807.73

68810.12

62084.71

65018.37

[FA (18:3)] 13S-hydroperoxy-9Z,11E,14Z-octadecatrienoic acid

48159.33

38910.90

556510.97

355076.02

396387.82

469397.55

[FA (20:0)] 11Z-eicosenoic acid

132206.89

140446.24

178731.84

175271.28

168029.98

161180.41

[FA (20:0/2:0)] Eicosanedioic acid

-

116066.13

169218.48

85045.55

154460.19

159245.20

[FA (20:0)] eicosanoic acid

792657.73

608291.92

493382.60

718468.92

463068.35

587423.29

[FA (20:2)] 15S-hydroperoxy-11Z,13E-eicosadienoic acid

-

294546.24

66813.78

109455.76

95242.53

[FA (20:4)] 5Z,8Z,11Z,14Z-eicosatetraenoic acid

1064417.42

658384.25

727094.40

965745.67

787454.48

929746.15

[FA (22:0)] 13Z-docosenoic acid

-

69742.56

121670.59

164517.44

160145.92

212499.21

[FA (22:4)] 7Z,10Z,13Z,16Z-docosatetraenoic acid

-

69717.45

76962.83

174081.46

135055.68

181150.53

[FA (24:0)] 15Z-tetracosenoic acid

-

57386.13

234103.27

210371.84

201321.35

[FA (8:0)] octanoic acid

1670927.83

2841752.17

3495397.92

2399516.25

2671348.00

2261290.92

[FA (8:1)] 2Z-octenoic acid

138876.86

203000.35

542357.02

467292.05

590183.65

596177.22

FAD

56099.12

64449.69

57179.23

156304.40

164582.34

166361.49

[FA dimethyl(13:0)] 2,5-dimethyl-2E-tridecenoic acid

169570.09

117762.92

109356.45

317950.95

458062.09

463607.48

[FA dioxo(8:0)] 4,7-dioxo-octanoic acid

256693.05

267541.23

229906.57

242498.89

297618.35

318736.49

Fagomine

1235231.79

1324718.46

1198771.33

473206.57

524812.85

538708.66

Fagomine_2

479009.72

495637.23

452737.75

325481.47

300757.82

326254.99

[FA hydroxy(11:1)] 2-hydroxy-10-undecenoic acid

75923.67

66420.33

97803.33

102730.00

124696.00

123845.67

[FA hydroxy(11:2/11:2)] 2R,9R-dihydroxy-3S,4S,7S,8S-diepoxy-...

56399.19

77849.10

128769.83

80512.95

88649.80

120040.70

[FA hydroxy(13:0)] 2-hydroxy-tridecanoic acid

843779.85

1539833.33

1380716.58

967002.81

1262974.42

1119708.50

[FA hydroxy(18:0)] 2S-hydroxy-octadecanoic acid

393409.76

388344.39

570252.80

790330.04

909789.08

971970.54

[FA hydroxy(18:2)] 9S-hydroxy-10E,12Z-octadecadienoic acid

390666.68

352396.26

841406.02

3218546.50

4199752.83

4428586.33

[FA hydroxy(20:4)] 15S-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoi...

155617.33

124169.33

212198.67

265771.33

222882.00

245413.33

[FA hydroxy(6:0)] 4-hydroxy-hexanoic acid

217086.36

185080.66

264295.17

232202.30

264238.65

263653.76

[FA hydroxy(7:1/2:0)] 2,4-dihydroxy-2-heptenedioc acid

105015.00

93765.67

92846.00

-

26349.00

[FA hydroxy,trihydroxy(3:0/2:0)] N-(1,3-dihydroxypropan-2-yl...

-

36813.40

30317.66

34178.56

[FA methyl(14:0)] 12-methyl-tetradecanoic acid

2328649.67

2142125.92

2561323.17

2736405.75

3407115.25

3663049.75

[FA methyl(19:0/2:0)] 13-methylnonadecane-1,2-diol

308383.00

225349.67

389514.33

394702.67

266357.67

295120.33

[FA methyl(6:0)] 2-methyl-hexanoic acid

596545.42

916338.40

1018108.81

857680.75

965082.06

905573.21

[FA] Methyl jasmonate

38920.12

46632.94

100039.67

134661.26

162105.05

147778.94

[FA oxo(12:1)] 12-oxo-10E-dodecenoic acid

101751.13

284308.82

474846.33

551448.75

760324.85

827225.19

[FA oxo(16:0)] 3-oxo-hexadecanoic acid

392846.76

560214.82

926902.67

2979914.17

3624567.42

3625795.67

[FA oxo(4:0)] 11-oxo-5Z,9,12E,14E-prostatetraenoic acid

90149.33

89315.00

110052.33

97250.00

91759.33

106965.00

[FA oxo(5:1/5:0/4:0)] (1R,2R)-3-oxo-2-(2Z-pentenyl)-cyclopen...

24517.25

88467.06

120074.69

66109.99

113542.75

146816.51

[FA oxo(7:0)] 2-oxo-heptanoic acid

235063.60

490914.21

1840652.42

924128.75

1363489.46

1475382.08

[FA oxo(8:0)] 3-oxo-octanoic acid

360852.17

199029.66

617141.58

373826.29

544063.23

545568.38

[FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid

200989.67

150389.33

211422.67

209378.00

166688.00

199337.67

[FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid_2

9384754.00

11748598.67

8523974.00

998198.27

1130489.75

1081376.25

Farnesoic acid

672038.00

351892.67

511691.00

1009560.33

830136.00

828350.33

[FA trihydroxy(18:1)] 9S,12S,13S-trihydroxy-10E-octadecenoic...

283925.09

245931.03

258675.50

237215.76

285689.38

259188.93

[FA trihydroxy(4:0)] 2,2,4-trihydroxy-butanoic acid

2281669.00

2404503.33

2393478.75

31672.37

28700.29

32086.57

[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acid

1337544.00

2430968.33

1474642.67

3695116.33

1932131.00

4253209.00

Flaccidin B

1316602.67

228194.33

2119946.00

209885.33

1464537.00

515041.33

Fumarate

1670442.54

1408087.33

1720061.42

2690035.33

2546480.25

2809854.00

Furfural diethyl acetal

92437.27

110099.27

1233328.83

211944.31

343587.07

312168.10

[Fv Methyl,trimethoxy,hydrox] 3,4-Methylenedioxy-2,4,6-trime...

102594.97

-

215769.36

-

177281.05

-

Galactinoldihydrate

252085.96

265482.69

376057.21

-

gamma-L-Glutamyl-L-cysteinyl-beta-alanine

34833.28

35487.44

34545.28

113932.43

96078.47

119858.26

GDP-L-fucose

280376.05

252385.46

284805.56

182047.56

160079.41

198592.03

GDP-mannose

476622.00

381024.67

499775.67

1321437.00

414806.33

1632477.67

Gentisate aldehyde

89555.33

56289.00

95983.33

82884.67

83605.33

69162.67

Gentisyl alcohol

66516.91

78024.54

94005.98

76051.28

94840.41

93436.38

Glu-Asp-Cys

139873.74

64776.54

227205.40

73621.48

151401.05

106437.63

Glu-Asp-Met

37760.69

116563.32

65747.52

-

Glucosyl sphingosine

315667.33

341470.00

311766.00

79224.67

55624.00

65550.33

Glu-Cys-Cys

21934.00

12882.00

51660.33

57855.00

56661.67

66860.33

Glu-Cys-Cys_2

-

7805.09

-

24727.79

121938.24

-

Glu-Glu

56501.86

54077.71

19180.84

43814.76

49305.36

32421.07

Glu-Glu_2

-

60232.40

80702.76

104892.94

Glu-Leu

109490.06

106495.35

90020.61

185633.51

202198.62

176727.20

Glu-Met-Cys-His

-

60379.71

-

58725.72

Glu-Met-Met-His

1042576.54

993648.40

279560.83

471436.78

632148.68

518214.95

Glu-Ser

53478.39

32386.62

55380.79

490490.44

632686.65

485817.19

Glutarylglycine

12766.12

21687.26

19197.47

220689.87

234637.97

235384.37

Glutathione

94142762.67

83834309.33

26646496.00

41352575.33

50476394.67

49414909.33

glutathione-sulfite

104992.12

79071.91

212125.12

286430.35

154547.47

235385.66

Glu-Thr-Thr

184988.24

101211.95

141717.81

-

Glycerol

286991.00

166008.67

194680.33

147712.67

97093.67

94511.33

Glycerophosphoglycerol

451950.63

400678.46

395737.86

1102718.27

1059955.40

1225665.83

Glycochenodeoxycholate

300959.61

235205.89

305095.59

254032.66

217431.95

273106.51

Glycylproline

130755.67

72083.67

227732.00

65383.33

116489.33

89446.67

GMP

95745.89

95604.74

96236.34

143358.97

116235.20

159536.75

GMP-N-ε-(N-α-acetyl lysine methyl ester) 5-phosphoramidate

45420.50

37698.33

259318.00

-

38537.00

275146.67

[GP (16:0/18:1)] 1-hexadecanoyl-2-(11Z-octadecenoyl)-sn-glyc...

956102.81

1208411.12

811627.25

243683.05

325948.72

366972.26

[GP (16:0)] 1-hexadecanoyl-2-sn-glycero-3-phosphate

2217491.33

1968523.33

1930997.33

2198199.67

1756348.33

1939566.33

[GP (18:0/18:2)] 1-octadecanoyl-2-(9Z,12Z-octadecadienoyl)-s...

603124.19

710475.85

534527.64

125448.06

146162.43

178678.38

[GP (18:0)] 1-octadecanoyl-2-sn-glycero-3-phosphate

1107862.33

1000166.67

991879.00

1056588.00

926759.00

1017042.33

[GP (20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-...

121159.00

110619.33

141751.00

204246.00

231128.00

218412.67

HEPES

625185706.67

249610064.00

752034282.67

980740608.00

867458944.00

960931093.33

herbicide 14A

269704.67

213883.00

314697.00

257489.00

200768.67

193599.67

Hexadecanoic acid

114439930.67

86619514.67

107348234.67

113808429.33

74231677.33

100116552.00

Hexanoic acid

2016647.50

3729492.42

9113911.67

6661110.00

8782804.33

8827155.00

His-Met-Trp-Ser

250803.77

39007.29

461449.80

134295.68

68838.38

300079.00

Homogentisate

95556.30

97520.80

83122.91

81177.02

54539.65

49530.80

homovanillate

100940.79

101285.92

101225.04

95744.96

83449.60

89856.61

Hydantoin-5-propionate

86524.52

108493.38

94824.39

1321185.88

1419551.00

1392339.92

hydrogen iodide

1147599.60

1290323.46

1126253.73

237116.35

262266.04

241083.01

Hydroxymethylphosphonate

931787.67

596802.33

1108430.67

885029.33

1074800.33

1071105.67

hydroxypyruvaldehyde phosphate

-

24652.00

97853.33

87158.33

159025.67

Hydroxypyruvate

204019.51

521148.50

671430.35

706878.69

866329.90

882669.96

Hymexazol O-glucoside

-

1842151.75

1798784.54

1946499.67

Icosadienoic acid

-

72236.00

112240.67

143385.00

154578.33

156619.33

Icosatrienoic acid

125553.65

65993.56

165547.67

234197.66

202933.92

229953.94

Iminoaspartate

39624.07

-

157051.52

-

127592.78

-

Indole-3-acetaldehyde

657536.33

376583.67

598105.33

421139.33

305195.67

361434.67

indole-3-acetyl-valine

60145.33

39233.67

75587.33

38991.33

19377.00

29886.67

Indole-5,6-quinone

35229.19

29948.73

53005.39

58205.03

53213.60

53763.86

Indoxylsulfate

569765.33

395501.00

430413.33

383128.00

279057.67

344245.33

(-)-jasmonoyl-L-valine

-

101844.42

192514.50

193277.47

241067.79

L-2-Amino-3-oxobutanoic acid

158642.00

132938.67

106992.00

182293.67

159658.67

206794.33

L-2-Aminoadipate 6-semialdehyde

223870.45

417493.02

517785.85

430818.98

349969.58

464854.46

L-Ala-L-Glu

214444.30

177743.16

285463.69

866971.94

867903.46

950027.25

L-Ala-L-Glu_2

157730.67

109258.00

254582.00

136355.00

157359.67

147677.33

L-Arabinonate

7434931.33

3267376.33

8580748.67

1325307.67

744966.33

1930941.67

L-Aspartate

128575629.33

103245346.67

127427445.33

211489509.33

187667898.67

210246416.00

L-Aspartate 4-semialdehyde

74332.33

87624.33

86921.67

80079.33

78716.00

85293.67

Laudanosine

167237.33

73893.33

140249.00

96565.67

108899.67

160397.67

L-Cysteate

88642.50

170794.86

244226.41

787309.73

860674.67

993876.40

L-Cysteine

-

5515.80

-

L-Cysteinylglycinedisulfide

23374.00

19121.00

25454.00

33000.00

31275.00

25805.00

L-Dehydroascorbate

1398261.48

1618218.04

1360021.29

5300548.00

5036104.50

5911062.17

L-Erythrulose

372716.00

335037.00

366983.33

175853.67

163623.33

235226.67

Leu-Ala-Asp

-

161391.10

142346.13

117464.78

Leu-Asp-Gly

-

9343.35

11717.18

101077.01

109678.49

108707.77

L-Glutamate 5-semialdehyde

174520.51

85691.96

276129.71

254592.55

145789.71

406635.02

L-Glutamate 5-semialdehyde_2

569214.31

554412.07

505975.96

1548706.92

907069.90

1318278.38

L-Glycericacid

215459.00

155079.00

264711.67

217019.00

134305.33

219790.33

L-Histidinol phosphate

1786822.33

1145552.67

222122.67

1770797.00

1435085.33

17980.67

L-Hypoglycin

91194.33

95210.67

163586.00

68391.00

61377.00

77153.00

Linoleate

6980332.50

2851901.17

5191024.83

4853279.33

5014048.00

5666584.33

L-Noradrenaline

64755.93

66784.04

74689.87

52542.05

52347.68

61934.95

LPA(0:0/16:0)

1446703.67

1164569.67

1167487.67

1257390.33

916292.67

1052816.00

LPA(0:0/18:0)

620180.67

690146.00

613371.33

681945.00

516872.67

591332.00

LPA(0:0/18:1(9Z))

699998.00

613222.00

604920.33

730159.67

596262.33

637726.67

LPA(0:0/18:2(9Z,12Z))

225755.06

179097.72

220207.29

191609.84

155948.22

168149.33

LPA(18:2(9Z,12Z)/0:0)

114283.33

119093.50

75628.00

101652.00

-

39680.00

L-Rhamnose

658338.42

456148.63

772754.46

720914.83

651688.85

750275.21

(L-Seryl)adenylate

8117038.33

6950678.33

8847650.00

641616.67

610964.00

755556.67

Lys-Asp

31621.67

35329.33

29066.67

132223.33

147366.00

139297.33

LysoPC(20:3(5Z,8Z,11Z))

-

74211.22

267005.03

45579.23

-

49589.51

LysoPE(0:0/20:2(11Z,14Z))

26225.00

28099.33

-

408967.00

533397.33

490899.00

Maleamate

340083.67

215850.33

265181.67

139393.33

143428.67

246287.33

Maleamate_2

718954.94

594568.35

727278.46

1234661.08

1081825.06

1276410.17

(-)-Medicocarpin

-

259393.89

214579.10

532615.97

Melibiitol

21490.99

-

59284.73

55353.18

86009.02

melibionate

384572.38

379001.89

370970.40

39285.65

53050.86

37699.44

Mesaconate

125041.12

126454.14

141269.86

107780.40

129945.19

126570.55

Met-Ala

-

145065.83

-

Met-Gly-Arg

115810.00

82982.33

114386.67

80491.33

66295.67

84156.67

Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-to...

781406.56

407228.90

711224.40

766254.44

649180.04

918396.77

Met-Met-Pro-Tyr

50995.00

35425.00

73043.67

59594.00

41464.00

88516.00

MG(0:0/24:1(15Z)/0:0)

223114.33

282814.00

245317.33

220981.00

219786.33

230063.00

momilactone A

140610.34

134397.49

151542.71

134015.22

139857.71

139458.84

Monomethyl sulfate

980833.88

1051166.40

1006713.67

922309.08

965181.52

938369.75

Muramic acid

11715259.33

10967694.33

18312419.33

19723710.00

15997832.00

30882358.67

Muramic acid_2

630451.00

206795.00

1146054.33

1095684.67

529172.00

1637681.00

myo-Inositol

939105.33

738913.00

1077604.67

5216109.33

5140193.00

5842969.33

N2-Acetyl-L-aminoadipate

3093598.83

3342512.83

2787048.75

8393885.83

9536111.83

10282494.67

N2-Acetyl-L-aminoadipate_2

39675.00

41918.67

48215.67

189667.00

158773.33

176536.00

N-(2-hydroxypentadecanoyl)-4,8-sphingadienine

44066.71

109108.74

99735.18

83316.04

68666.48

115660.93

N3-fumaramoyl-L-2,3-diaminopropanoate

472449.70

280589.62

641407.39

510177.88

386078.62

578851.86

N4-(Acetyl-beta-D-glucosaminyl)asparagine

849537.67

693285.00

1961883.00

514729.50

439602.00

823770.67

N4-(Acetyl-beta-D-glucosaminyl)asparagine_2

227215.67

287160.33

237055.33

848644.33

863213.00

902187.67

n-Acetylasparagine

20297.31

50298.15

23693.14

90123.52

58637.19

138696.42

N-Acetyl-D-fucosamine

46782.68

87649.50

19722.54

85385.04

86849.22

89126.12

N-Acetyl-D-fucosamine_2

-

173660.33

-

86036.62

163136.29

82715.55

N-Acetyl-D-glucosaminate

1090669.25

1108803.10

1152195.83

588684.68

282566.59

890401.15

N-Acetyl-D-glucosamine

46070.33

45193.67

37341.33

115964.33

117161.67

113833.00

N-Acetyl-D-glucosamine 1,6-bisphosphate

88574.00

57669.00

91540.67

234716.67

194206.00

238716.33

N-Acetyl-D-glucosamine 6-phosphate

349049.33

268675.33

366696.67

1441933.67

1306809.33

1477493.33

N-Acetylgalactosaminate

-

594152.84

635746.08

564058.14

N-Acetyl-L-glutamate 5-semialdehyde

1652155.67

514783.00

3023658.33

828926.00

1916723.67

1197356.00

N-Acetyl-L-glutamate 5-semialdehyde_2

359446.54

399388.86

318439.48

3244999.33

3187691.00

3024416.42

N-Acetyl-L-leucine

237335.33

148578.33

467329.33

457773.67

547358.00

595044.33

N-Acetyl-L-leucine_2

743748.69

743524.40

715011.94

69839.73

76098.64

90750.32

N-Acetyl-L-phenylalanine

184741.33

135724.33

321664.67

374721.00

433707.67

481509.67

N-Acetylmuramate

20700.84

25872.23

45569.56

12088.48

23901.81

43737.18

N-Acetylneuraminate

329115.33

248005.33

315800.67

6114416.33

4398704.00

6139899.00

N-Butyryl-L-homoserine lactone

335122.49

296284.80

762655.35

521812.16

638678.54

532898.47

N-Butyryl-L-homoserine lactone_2

101274.74

110921.09

259242.36

182459.69

189165.19

199098.66

Neuraminic acid

477319.88

424778.04

993689.90

877713.00

1045146.67

2529596.25

N-Formyl-L-aspartate

28247.20

40444.23

33935.92

136156.30

131789.51

196192.38

N-Formyl-L-methionine

727206.27

567901.08

589240.58

576759.75

304987.33

621887.25

N-Glycolyl-D-glucosamine

72367.80

38867.00

134202.81

508922.79

426268.34

981600.21

N-Glycosyl-L-asparagine

701189.00

206450.00

1335794.00

1218269.33

669675.00

1989694.33

N-hexanoyl-D,L-homoserine lactone

23921.22

26165.60

155991.01

188478.89

208442.35

237629.10

N-Hydroxy-1-aminonaphthalene

29177.49

56719.85

222017.88

248002.18

308268.95

259533.61

N-hydroxyisoleucine

20889.72

28159.17

30721.41

173735.12

172655.40

156549.72

Nitrilotriacetic acid

16190.68

-

76091.29

27745.46

58811.94

38571.06

N-(L-Arginino)succinate

-

64738.81

57435.04

63423.43

nocardicin G

80037.47

105321.57

75146.48

-

26658.21

N-oleoyl threonine

-

114650.43

352762.50

356983.13

427176.73

Nonanoic acid

7903015.17

9208258.33

10321162.67

7683347.67

8776321.00

8447912.00

nonulose 9-phosphate

68076.30

71911.11

76609.57

408231.75

555441.07

600345.04

nonulose 9-phosphate_2

-

155731.67

-

726296.04

968077.17

671306.35

Norepinephrinesulfate

98371.00

66689.00

98022.00

7988.00

7106.00

11799.33

N-Succinyl-L-glutamate

384481.02

150987.11

369194.92

57121.26

43573.93

96912.67

N-Succinyl-L-glutamate_2

-

714411.35

783251.31

739140.65

N-Undecanoylglycine

3953001.58

6261941.17

6486690.83

3662108.00

3634116.58

4046150.58

N-Undecanoylglycine_2

267375.41

336833.88

291855.28

308655.43

270621.36

317775.06

O-Acetyl-L-homoserine

361030.72

406355.65

653951.67

1019843.46

1189959.71

1110827.25

O-Acetyl-L-homoserine_2

367868.67

114847.33

632854.00

527809.00

252324.00

778238.33

Obliquine

203831.00

95657.67

201318.33

110752.33

210545.00

128822.67

Octadecanoic acid

66012460.00

46634352.00

49017208.00

59572753.33

34822353.33

50962014.67

octulose 8-phosphate

411989.67

313919.67

487449.33

659579.00

359985.00

930539.67

omega-Cyclohexylundecanoic acid

568318.04

620933.06

1057298.04

1486676.88

2138702.00

2308114.67

Orotate(Fragment)

241362.87

274764.03

230560.40

452622.98

516129.89

553868.17

Orotidine

1032010.56

1126955.35

921934.94

2412469.00

2589818.17

2877133.25

Otonecine

255265.67

221270.00

721788.67

456175.33

569093.67

707104.33

Oxalate

279769.46

225266.25

325737.34

225399.38

203780.73

270666.34

Oxalosuccinate

19886.79

13307.31

20115.36

122891.27

184317.40

211894.59

Oxoamide

82597.33

49354.00

91972.67

59136.00

53494.00

58837.00

PA(36:1)

336962.46

459290.15

323028.21

-

PA(36:3)

551890.67

601173.33

350802.00

192275.67

175336.00

228649.67

PA(36:4)

719732.67

589670.67

411151.00

319158.67

244592.67

296149.67

[PC (15:1)] 1-(1Z-pentadecenyl)-sn-glycero-3-phosphocholine

274058.24

331168.01

316114.30

170008.81

90180.94

136381.40

[PC (17:0)] 1-(10Z-heptadecenoyl)-sn-glycero-3-phosphocholin...

38251.00

65139.33

35947.33

227023.67

326870.00

287601.67

[PC (7:0/8:0)] 1-heptanoyl-2-octanoyl-sn-glycero-3-phosphoch...

18088.22

80428.49

140078.79

838897.33

1020754.98

1028296.73

[PC acetyl(18:2)] 1-(9Z,12Z-octadecadienoyl)-2-acetyl-sn-gly...

-

136116.43

315320.65

326714.14

414661.06

387357.57

P-DPD

284952.67

161034.00

305823.67

708661.67

324340.67

764504.33

PE(14:0/22:5(4Z,7Z,10Z,13Z,16Z))

163051.67

132647.00

132748.00

279233.00

189482.33

190368.33

[PE (16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phosphoethanolam...

218729.18

225862.09

242885.98

98105.06

59715.41

79745.08

[PE (18:0/18:2)] 1-octadecanoyl-2-(9Z,12Z-octadecadienoyl)-s...

721632.33

707646.33

607319.33

240223.00

253298.00

215341.67

[PE (18:0/20:4)] 1-octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetra...

1434696.67

1272262.33

985936.67

2714248.67

2341835.67

2227029.67

PE(20:2(11Z,14Z)/18:3(6Z,9Z,12Z))

1653281.12

1528799.88

1064803.83

1959381.04

1438219.83

1396795.50

PE(22:4(7Z,10Z,13Z,16Z)/P-18:0)

443025.06

436348.95

305708.45

216183.97

150229.25

194376.92

penem CGP31608

72539.57

93628.59

36637.28

67845.80

46023.77

47945.45

penem CGP31608_2

147794.29

218728.36

266062.58

410887.56

318835.15

401388.89

Pentanoate

216277.33

253764.84

294674.94

341569.25

407968.27

294587.11

perchlorate

640583.67

63599.67

120594.33

80013.67

137560.67

72871.00

PG(36:3)

-

486136.61

380599.58

418748.64

PG(40:8)

-

93496.59

97045.95

88323.66

PG(P-16:0/15:1(9Z))

-

66360.32

103841.32

308626.58

382028.22

390832.31

Phenol

77125.71

82909.42

86699.14

89008.28

63655.21

68495.62

Phenol sulfate

208044.31

181572.66

256285.79

189790.96

152647.52

189254.07

Phenolsulfonphthalein

78482794.67

66381362.67

85655578.67

48925917.33

41694697.33

48745201.33

Phenylacetaldehyde

78456.93

53133.44

55088.26

43432.34

73803.82

54339.10

Phenylacetylglycine

2331372.33

3644862.92

3012007.42

2414275.92

2620563.17

2748747.75

Phenylpyruvate

88010.66

102493.75

131560.32

86930.71

78529.73

90227.47

phlorisobutyrophenone

46828.14

48323.94

70206.40

67294.25

55136.30

40236.29

phosphinomethylmalate

429702.67

289795.33

439766.67

321228.00

171715.67

285898.67

Phosphodimethylethanolamine

-

30735.22

35087.16

551098.26

504948.24

636634.58

Phosphoenolpyruvate

1178924.67

471085.33

1722159.67

1187899.00

862311.00

1679078.67

Phthalate

480714.89

846905.90

783765.23

914766.50

880516.19

1154412.88

[PI (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1-myo-inosi...

104176.03

113518.40

123092.27

544493.04

535090.20

601136.85

PI(36:2)

467110.78

361511.32

290702.46

185450.59

157712.16

220985.11

PI(36:4)

1081692.54

895458.17

814858.17

319749.14

264215.62

246028.26

PI(38:4)

2777713.67

2432204.00

1809597.67

3802115.33

4140027.33

3912788.33

PI(38:5)

545540.76

467384.06

358122.36

468753.57

447723.30

455446.20

PIPES

21939768.67

18540462.33

21304804.67

19806211.33

20556887.67

22122735.33

[PR] 2-methylbacteriohopane-32,33,34,35-tetrol

59614.96

-

70296.75

61669.48

56903.17

65683.34

[PR] 9-Hydroxy-helminthosporol

54226.11

84349.01

131560.24

231197.05

278860.80

267934.08

[PR] Citronellyl acetate

84642.32

64914.68

96058.93

127317.45

147096.18

161524.34

Progesterone

238766.83

123337.55

115421.04

116535.32

170594.11

128553.65

[PR] Tretinoin/All-Trans Retinoic Acid

1245776.67

843473.00

805377.33

1374640.00

790494.33

762814.33

[PS (10:0)] 1,2-didecanoyl-sn-glycero-3-phosphoserine

60106.58

303941.99

348337.00

212982.16

324196.56

376285.84

PS(13:0/12:0)

54045.48

154907.39

291808.78

178962.70

259216.89

296879.41

PS(15:0/22:4(7Z,10Z,13Z,16Z))

344830.00

220208.67

254867.00

545255.67

625468.67

610009.67

[PS (18:0)] 1-octadecanoyl-sn-glycero-3-phosphoserine

353630.97

701324.75

1003980.19

831612.71

792048.88

1079803.44

[PS (18:0/22:6)] 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-doc...

10289106.33

8173846.33

5595947.00

2857955.33

2490932.33

2615446.67

PS(19:1(9Z)/22:2(13Z,16Z))

103545.33

62743.67

-

339254.67

242274.00

287325.67

[PS (20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-...

175093.67

136461.00

104001.00

226484.00

189773.00

223152.67

PS(40:8)

316849.00

296156.33

194801.00

185748.00

170163.00

168239.67

Pseudouridine

40429.00

42112.00

40225.00

278521.67

255663.00

237485.33

Pseudouridine_2

-

978380.27

1124032.60

973694.63

PS(P-18:0/17:2(9Z,12Z))

126293.33

165540.00

230642.00

210554.00

219131.67

236710.00

Pyruvate

3154074.67

1859117.33

3367451.67

1549017.00

1306275.33

1854254.00

Quassin

69235.72

25940.99

41703.06

20736.03

34886.07

35173.26

Quinate

1219128.08

1856444.21

1039545.00

53673.57

66448.89

77387.27

(R)-2,3-Dihydroxy-3-methylbutanoate

370521.67

329243.00

366474.00

230225.67

228014.67

252446.00

(R)-3-Hydroxybutanoate

95578.33

62101.00

119807.67

90233.67

77850.67

91752.33

(R)-AMAA

21249.18

10787.02

51588.01

31740.02

114375.43

76134.70

(R,R)-Tartaric acid

223451.81

136792.53

237894.44

112485.40

88317.50

120663.40

(R)-S-Lactoylglutathione

75402.55

83920.09

74462.16

139447.74

104504.20

187105.63

(S)-1-Pyrroline-5-carboxylate

5144072.33

2710677.33

6415945.67

2097429.67

1027472.00

2360755.00

(S)-2-Aceto-2-hydroxybutanoate

256361.67

218996.33

281684.33

283883.33

231271.00

276173.33

(S)-3-Methyl-2-oxopentanoic acid

1426890.33

941815.79

1440754.71

6502092.17

5311594.67

5380770.67

Salicylaldehyde

143849.33

124476.00

144577.33

117398.67

135259.67

109270.67

(S)(+)-Allantoin

39253.16

27413.62

54831.24

27743.39

26548.75

26579.46

Sedoheptulose

118169.00

109741.67

121017.00

17760.00

17292.00

21147.67

S-(Formylmethyl)glutathione

60576.21

63925.82

46597.09

102658.92

92717.07

99086.10

Sinapoyl aldehyde

72173.67

56282.67

86711.00

42132.33

50989.50

52853.67

sinapoyltyramine

-

157679.85

138253.14

130950.67

(S)-Lactate

4232616.00

3338832.50

4323574.17

7671403.17

7110970.50

8075838.33

(S)-Malate

3686767.58

3839213.25

3894434.33

40558013.33

39549832.00

41074801.33

(S)-Methylmalonate semialdehyde

11830472.33

7981941.33

26294988.00

11928595.33

10132743.33

21447643.33

sn-glycero-3-Phospho-1-inositol

26970.21

32730.11

29533.48

282189.38

312648.36

317522.08

sn-Glycerol 3-phosphate

552349.76

505217.30

658349.44

7237751.67

6638785.33

9900652.00

sodium dodecyl sulfate

570013589.33

7756037.67

6572648.00

15561479.33

6377372.33

19340250.67

Sorbitol 6-phosphate

10291154.17

10121071.33

10413025.00

7341127.17

6014221.33

6350839.83

S-Sulfo-L-cysteine

22814.21

34219.05

62261.01

61087.41

23751.23

56438.76

[ST (4:0/4:0/4:0)] (5Z,7E)-(1S,3R,20R,22S)-24a-homo-9,10-sec...

229450.66

294806.65

246247.56

201596.28

227738.49

166759.46

Stealthin C

373910.17

648962.25

1049513.58

1943861.12

2351796.50

2402793.67

[ST hydrox] 3alpha,7alpha-Dihydroxy-5beta-cholan-24-oic Acid

107230.67

80060.00

117656.33

62529.67

55773.00

61303.33

[ST hydrox] 3alpha-hydroxy-5alpha-androstan-17-one 3-sulfate

302138.29

187938.24

318720.79

213362.23

175516.33

252402.51

Succinate

366266.20

415794.76

519247.30

2046055.08

1880473.96

2138429.42

Sucrose

79261.67

69200.67

479796.00

78717.33

121776.67

282178.00

Sulcatone

925190.33

2084351.33

1461516.33

904511.67

652817.67

1414872.33

Sulfoacetaldehyde

80288.33

73039.00

178611.00

360826.67

394843.33

387295.33

Sulfoacetaldehyde_2

54370.00

49378.33

122437.33

265572.00

247136.67

312510.33

Sulfoacetate

207075.67

265828.67

254685.33

251591.33

326190.00

315270.33

Sulmazole

71521.00

-

45192.33

90686.33

116478.00

116374.33

Taurine

4720672.33

5544415.33

4871694.17

723626.96

641840.79

687919.40

Tauropine

-

68560.73

297169.34

418117.47

574561.19

698294.35

Tetracosanoic acid

-

162063.85

126939.89

373465.97

331963.72

331246.48

Tetradecanoic acid

7203495.17

4582924.67

5276682.83

5983019.17

6470785.50

6378615.50

Tetranor-PGE1

133025.56

137105.59

131860.36

134751.33

125822.37

128382.01

Thiopental

70758.31

46722.01

152368.97

-

Thr-Ala-Ala

31593.22

27782.38

30512.06

112362.79

117729.46

121594.98

trans-4-Hydroxycyclohexanecarboxylate

194963.04

177860.60

284304.43

222336.59

222482.60

213636.61

Traumatic acid

90509.75

174619.10

402294.23

599027.96

628601.67

737234.98

UDP-glucose

338282.33

257526.00

1263652.33

3641821.67

2468161.67

11153232.00

UDP-glucuronate

147431.00

108898.00

145627.67

1308642.67

1115107.67

1392060.67

UDP-N-acetyl-D-glucosamine

4258803.17

4486455.17

4496976.67

16828715.33

14627845.67

18140357.00

UMP

218936.67

173305.67

104007.00

1044262.00

714471.67

1157258.00

Urate

1661829.67

673732.67

106907.00

74537.33

62105.33

75590.00

Urea-1-carboxylate

36688.00

28605.00

70596.00

58056.67

31694.00

34914.67

uridine-5-diphosphate bromoacetol

382760.33

101771.67

35247.00

1826234.00

2326484.67

15797.00

UTP

-

933286.33

603943.67

969444.33

Val-Asp-Ser

-

142902.18

122247.70

136637.41

Vanilpyruvicacid

128426.96

70040.63

107998.64

118257.81

53000.00

90551.37

Vinylacetylglycine

634610.33

599864.00

1115722.33

712690.00

590990.67

1011655.00

Vinylacetylglycine_2

137036.67

71636.67

121210.33

120226.00

78586.33

77388.00

XTP

302735.43

288398.12

541464.90

299504.15

278091.59

518107.58

Xylobiose

-

179728.43

-

112955.81

Zoxazolamine

-

8283.30

10466.16

14023.77

25008.97

21501.94

Data for ST000403

Factors:

F1	Cell type:Mature erythrocyte \| Glucose labelling:C13 glucose \| timepoint:1 hour
F2	Cell type:Mature erythrocyte \| Glucose labelling:C13 glucose \| timepoint:20 hours
F3	Cell type:Mature erythrocyte \| Glucose labelling:unlabelled \| timepoint:20 hours
F4	Cell type:Reticulocyte \| Glucose labelling:C13 glucose \| timepoint:1 hour
F5	Cell type:Reticulocyte \| Glucose labelling:C13 glucose \| timepoint:20 hours
F6	Cell type:Reticulocyte \| Glucose labelling:unlabelled \| timepoint:20 hours