Data for ST003179   

(Analysis AN005222): Average values per metabolite and experimental factor (Units:Peak height)

Metabolite structureAll dataF1F2F3F4
"11,12,13-TriHOME"
51153.05 46726.10 46742.72 37283.63
"11,14,17-Eicosatrienoic acid"
1146959.22 1353339.67 1145844.62 1155412.75
1-[18-hydroxyoeoyl]-2-[18-hydroxy-linoleoyl]-sn-glycerol
308079.84 180396.13 187767.36 176497.13
"1,1^-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3...
115365.55 297029.42 181261.76 195491.73
"1,2-dibutyrin"
86797.76 74935.01 78526.94 85421.26
1-(2-methoxy-eicosanyl)-sn-glycero-3-phosphoserine
122578.30 125822.29 142743.09 109882.98
1-(2-methoxy-octadecanyl)-sn-glycero-3-phosphoserine
240577.44 273385.80 341827.95 332264.20
13-cis-Retinal
948298.12 904884.50 885294.58 1020470.31
14^-apo-beta-Carotenal
306484.94 345054.88 314920.23 332022.93
1-(4-Hydroxy-3-methoxyphenyl)-3-decanone
204672.14 180687.15 192074.17 171006.96
1-Arachidonoylglycerophosphoinositol
257354.92 498977.51 371123.52 493316.14
1-Deoxy-D-altro-heptulose 7-phosphate
544381.23 220654.72 258408.78 230913.86
1-Oleoylglycerophosphoserine
536317.56 2440418.25 1788130.25 2508334.75
1-Oleylglycerol
106772.70 131496.61 120155.64 103623.68
1-Palmitoylglycerophosphoinositol
670610.52 478051.98 697910.98 499434.38
"(1R*,3R*,3^S*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)...
271679.38 296917.26 338805.31 316406.22
1-(sn-Glycero-3-phospho)-myo-inositol
259255.57 263234.95 198397.12 306613.66
1-Stearoylglycerophosphoglycerol
2961714.56 2247983.92 2752422.50 2134018.92
1-Stearoylglycerophosphoinositol
2564089.38 1762397.92 2010286.12 1854113.92
1-Stearoylglycerophosphoserine
352894.98 469772.08 407645.28 467319.81
1-thio-beta-D-glucose
3990457.38 2017953.54 2647526.83 1960413.50
"2-(2-Thienylmethylene)-1,6-dioxaspiro[4.4]non-3-ene"
58962.81 78659.09 72709.63 64882.65
"2-{[(3,5-dimethoxyphenyl)(hydroxy)methylidene]amino}acetic ...
4149227.06 2436755.67 3821720.83 2303013.21
"2,3,5-Trihydroxytoluene"
293045.12 219040.17 234742.76 208060.03
"2,3,6-Trihydroxypyridine"
133186.50 137249.42 142955.71 150772.39
"2,3-Diaminosalicylic acid"
120238.04 125855.34 137102.94 125933.57
"2,3-Dihydroxycyclopentaneundecanoic acid"
170795.55 199698.39 209962.03 192592.97
"2-[4-(4-chloro-1,2-diphenylbut-1-en-1-yl)phenoxy]acetaldehy...
126551.26 - 59509.39 66689.84
"2,5,6-Trihydroxy-5,6-dihydroquinoline"
188821.43 165427.12 165559.36 158865.43
"2,5-Dimethyl-1H-pyrrole"
323259.43 265265.33 267184.65 279872.97
"2,5-Dioxopentanoate"
1722375.25 1617494.75 1639367.54 1496210.50
"2-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3-hydroxybutan...
24421.60 75966.52 26486.86 80733.09
"2,6-Dihydroxy-N-methylmyosmine"
122034.40 78382.67 129031.32 62698.39
"2,7-Anhydro-alpha-N-acetylneuraminic acid"
2365968.81 2593315.50 2466964.83 2469508.25
2-Aceto-2-hydroxybutanoic acid
331462.23 398749.41 326309.32 374846.43
2-Acetolactate
680788.33 964737.00 759266.56 977254.08
"2alpha-(3-Hydroxypropyl)-1alpha,25-dihydroxy-19-norvitamin ...
148863.66 173865.17 166142.60 176738.96
2-amino-2-deoxy-isochorismate
430003.88 463734.25 434830.74 466054.66
2-amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid
780794.72 498224.77 597675.99 528243.61
"2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate"
187074.14 196134.73 189568.03 206775.73
2-Amino-3-carboxymuconic acid semialdehyde
152836.51 89182.79 117952.55 75239.41
"2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(...
- 95355.45 3759.00 70402.27
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[2...
143455.64 - 48663.40 -
"2-amino-4-[(2-{[1-carboxy-2-(6,7-dimethoxy-2H-1,3-benzodiox...
130784.09 41682.72 86219.38 47710.06
2-Amino-4-methylenepentanedioic acid
212048.48 111542.59 177647.06 127816.97
2-amino-4-methylphenol
120422.36 107365.53 110273.88 122949.45
2-Aminomuconic acid
152711.06 120388.25 136325.09 102976.11
2-chloro-2-iodoacetamide
1262090.91 1247096.88 1456643.46 1269062.67
"2-C-methyl-D-erythritol-2,4-cyclodiphosphate"
2249163.00 330202.73 939119.85 316628.48
2-C-Methyl-D-erythritol 4-phosphate
1859583.62 111492394.67 20653826.67 87748088.00
2-Decarboxyphyllocactin
168389.22 99396.36 131367.68 100962.01
2-Dehydro-3-deoxy-D-glucarate
804621.53 694570.23 685009.17 758529.69
"2-Deoxy-2,3-dehydro-N-acetylneuraminic acid"
1569192.22 1795354.00 1735660.12 1842662.08
2^-Deoxy-5-hydroxymethylcytidine-5^-diphosphate
95231.55 42193.53 49048.86 35404.69
2-Ethylhexanoic acid
922827.11 670390.85 923160.90 741971.23
"2-{[hydroxy(2,3,4-trimethoxyphenyl)methylidene]amino}acetic...
273038.10 187541.27 236487.96 202904.21
"(2-hydroxy-2-{9-hydroxy-7-oxo-2H,3H,7H-furo[3,2-g]chromen-2...
447933.93 34433.06 237188.25 37632.05
"2-{[hydroxy(4-hydroxy-3,5-dimethoxyphenyl)methylidene]amino...
894394.50 839237.12 798908.27 856403.08
2-Hydroxydecanoate
102036.33 115012.66 120305.22 114839.11
2-Hydroxyethanesulfonate
158804.39 170880.72 173186.26 148539.76
(2-hydroxyethoxy)sulfonic acid
827579.48 742258.50 680249.38 698834.33
2-Hydroxyhexadecanoic acid
326820.20 319572.01 311628.72 296121.78
2-(Hydroxymethyl)-3-(acetamidomethylene)succinate
142294.05 84847.35 112607.88 92316.00
2-Hydroxymyristic acid
106288.27 111052.01 98392.07 98339.14
2-hydroxynonanoic acid
245281.66 217073.82 194399.17 193183.26
2^-hydroxypyridoxol
313675.24 263250.66 268518.00 253294.35
2-Hydroxystearic acid
286772.66 267502.07 267621.14 258052.91
2-hydroxytridecanoate
35694079.50 22589638.00 25791090.67 18257432.67
2-Hydroxyundecanoate
883222.19 582749.69 610973.12 430350.89
2-Keto-glutaramic acid
2294497.81 2351414.67 2366335.42 1958132.58
2-Methylhexanoic acid
489417.97 374017.38 523009.24 433246.52
2-Octenedioic acid
2298606.00 2362461.00 2343761.08 2022865.42
2-oxobut-3-enanoate
260059.88 167945.21 275294.65 216791.76
2-oxopropane sulfonate
146435.36 123024.96 131037.08 114892.65
"(2S,4S,6S)-2-[2-(4-Hydroxy-3-meyhoxyphenyl)ethyl]tetrahydro...
184161.45 181558.67 175470.33 141813.71
"2-trans,6-trans-Farnesal"
149591.91 74683.32 115437.39 79617.43
"(2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol"
90652.93 73317.30 99975.48 66835.96
"3^-(2^^,3^^-Digalloylglucosyl)-phloroacetophenone"
112651.15 - 30986.41 -
"3-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydrox...
121897.91 18153.10 60672.28 20748.17
"3,3^-Thiobispropanoic acid"
418835.23 273610.13 379469.05 263329.03
"3,4,5-trihydroxy-6-(2-{5-hydroxy-8,8-dimethyl-2-oxo-2H,8H-p...
149790.54 128529.22 171109.61 146329.72
"3,4,5-trihydroxy-6-[(3-methoxy-3-oxopropanoyl)oxy]oxane-2-c...
152910.16 223208.85 229974.49 252642.23
"3,4,5-trihydroxy-6-{4-[-3-oxo-3-[(3,4,5,6-tetrahydroxyoxan-...
70448.15 209597.13 94589.71 216935.82
"3,4-Dihydroxybenzylamine"
6348708.12 4745858.17 5395563.33 4677668.67
"3,5-Di-O-galloyl-1,4-galactarolactone"
538277.45 90524.12 95490.64 113246.73
"{3-[6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy...
108534.69 96946.76 82813.29 103396.78
"3,7-Dimethyl-8,11-dioxo-dodecatrienal"
191199.40 158192.67 191839.57 150410.76
"3,7-Dimethyl-decadien-1,10-dioic acid"
93629.86 142755.17 102205.01 90170.17
"3a,7a-Dihydroxycholanoic acid"
314293.17 110768.36 215583.91 109912.09
"3a,7b,12a-Trihydroxyoxocholanyl-Glycine"
5368942.12 2716700.75 4222415.08 2397704.08
"3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate"
394796.05 123750.97 266025.68 106352.38
3-Amino-2-piperidone
49009.14 - 19830.86 -
"3-carboxy-2,3-dihydroxypropanoate"
186094.24 167034.46 177242.08 166790.86
3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid
129568.73 217679.84 135635.03 170350.78
3-carboxy-6-(methylsulfanyl)-2-oxohexanoate
58136.26 116245.92 230616.43 95897.48
3-Dehydro-L-threonate
6572231.50 4518483.33 5166343.33 3733231.75
3-Ethylmalate
690473.67 736240.21 704703.65 692326.88
"3-Glucosyl-2,3^,4,4^,6-pentahydroxybenzophenone"
234692.23 310716.94 282718.63 317368.61
"3-Hydroxy-2-methylpyridine-4,5-dicarboxylate"
66105.11 161889.61 94957.35 123769.10
3-Hydroxyanthranilic acid
239620.38 201837.95 179074.29 163456.98
3-hydroxypalmitic acid methyl ester
83724.96 83960.46 63739.21 60390.21
3-Isopropenyl-6-oxoheptanoate
274932.77 262871.72 289041.85 255451.31
3-ketothreonate
2352763.94 1616510.12 1948197.21 1370349.38
3-Mercaptolactic acid
102666.01 102909.38 117513.22 93501.65
3-Methylbutyl glucosinolate
115358.25 - 41104.18 -
3-Oxododecanoic acid
139842.40 120901.33 122410.20 115759.21
3-Oxotetradecanoic acid
110738.88 108296.93 104233.43 112086.66
3-Phosphoglyceric acid
43492.68 56672.16 33798.91 64641.04
3-Propylmalate
211249.15 216402.01 212112.80 210027.58
3-Succinoylpyridine
139018.67 110259.55 137449.14 124090.45
"4,5-Dihydroorotic acid"
458620.92 60002.32 117208.75 70033.29
"4-[6,11-dihydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-2,8-dio...
118433.35 97865.05 83979.98 97489.32
4-Amino-4-deoxychorismate
1612948.16 1451207.75 1433677.08 1366082.25
4-Coumaryl alcohol
94673.34 93589.80 96019.97 77737.92
4-Heptyloxyphenol
129405.40 132001.66 138688.28 116399.84
4-Hydroxybenzoic acid
217085.78 162003.35 129980.15 171271.94
4-Hydroxyhexan-3-one
1586716.56 1550164.71 1756070.90 1575527.17
4-Hydroxyphenylacetaldehyde-oxime
213467.23 138039.06 167804.39 125381.41
4-hydroxy-tridecanoic acid
990052.05 984153.59 959727.88 665652.72
4-Methoxyglucobrassicin
110098.05 17856.47 35517.70 26385.03
4-methylumbelliferyl-beta-D-cellobioside
59310.08 51269.23 58019.90 53412.41
4-O-beta-D-glucosyl-indol-3-yl formamide
773236.36 366199.70 605361.81 314019.36
4-Octylphenol
293567.53 271119.95 271379.04 273779.06
4^-Phosphopantothenate
27189576.50 7307071.50 8868414.00 6761842.67
4-Pyridoxic acid
215540.07 150331.16 165678.08 145600.59
4-toluenecarboxylate-adenylate
40874.64 50054.31 43526.43 45812.92
"5-(2^-Formylethyl)-4,6-dihydroxypicolinate"
207391.09 285743.16 372859.94 247948.21
5-Acetamidovalerate
413315.48 262472.66 365974.98 211902.83
5-Aminolevulinic acid
757387.89 1182001.67 991389.25 1021234.15
5beta-Cyprinolsulfate
93262.62 96360.74 96632.62 94416.43
5-Dehydro-4-deoxy-D-glucarate
1214917.12 950688.90 1034170.27 1022652.52
5^-dehydrouridine
33919.14 - 3759.00 -
5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid
318237.62 387168.09 380840.98 401837.84
"5-hydroxy-3-[(3aS,4S,5R,7aS)-7a-methyl-1,5-dioxo-octahydro-...
1303725.47 1216313.21 1236673.10 1086816.02
5-Methyldeoxycytidine diphosphate
331767.15 259235.81 293093.50 259556.28
5-methyl-tetradecanedioic acid
50560.12 70399.96 57015.32 61882.43
"5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone"
274269.50 388544.76 342460.24 371843.52
5-Thymidylic acid
4866862.00 2638714.42 4072444.58 2595611.17
(+/-)-6-Acetonyldihydrochelerythrine
83651.52 46404.11 64142.86 51666.06
6-formylpterin
484376.66 842607.52 457286.18 637774.44
6^^-O-Malonylwistin
86687.42 - 50491.76 -
6-Phosphogluconic acid
18177.97 20127.41 13469.44 19062.42
7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
- 558120.44 52072.53 392830.41
"8,13-Abietadien-18-oic acid"
818696.12 1040994.10 924462.25 982992.02
8-Amino-7-oxononanoate
1408678.78 689741.64 2617598.84 1558185.97
"8-chloro-6-O-(6""-O-malonyl)-beta-D-glucoside-2-(2-phenylet...
229641.11 188469.66 242109.96 145579.84
9-Oxo-nonanoic acid
775962.12 905617.96 815348.50 771130.46
"a-Amino-2,5-dihydro-5-oxo-4-isoxazolepropanoic acid N2-gluc...
214948.98 73198.47 129378.91 67873.72
Acetoacetic acid
381684.02 447229.42 412905.52 457457.03
Acetohydroxamic Acid
1106395.48 533497.68 1916100.17 561697.88
Acetone cyanohydrin
91980.77 96325.00 99618.48 71901.04
acetylglutathione
76874.92 92470.76 61154.15 65642.94
Acetylphosphate
199999.28 91755.07 93911.68 96102.30
Adenosine diphosphate ribose
434875.20 300885.02 380382.46 296779.13
Adlupone
126076.66 83922.59 123822.16 88892.59
Adrenic acid
239362.49 265001.01 244966.92 264621.82
Adrenochrome
3013615.19 3633058.08 3250560.25 3769373.33
Ala/Ala/Asp/Tyr
2033306.41 243740.96 945274.96 222613.57
Ala/Ala/Cys
44559.47 90363.96 68673.90 79384.60
Ala/Arg/Arg/Tyr/Tyr
221430.99 168705.80 191351.71 171108.20
Ala/Asn/Pro/Arg/Trp
516804.45 282008.19 403453.61 349743.68
Ala/Asp/Asp/Asn/Pro
157007.72 133553.00 170807.76 129989.34
Ala/Asp/Asp/Pro
49319.93 35212.84 29046.23 39844.74
Ala/Asp/Glu/Lys/Thr
108096.21 153685.85 152325.83 160861.77
Ala/Asp/Glu/Lys/Tyr
109344.59 - 44276.80 -
Ala/Asp/Glu/Met/Gln
135256.43 75791.17 118728.52 68876.14
Ala/Asp/Gly
116694.73 34152.39 64558.59 37991.01
Ala/Asp/Gly/Tyr
807262.48 484316.33 795028.73 457393.43
Ala/Asp/Met/Arg/Thr
532976.41 353042.55 480814.03 339679.94
Ala/Asp/Phe/Ile/Arg
196230.41 289312.30 286802.01 278197.32
Ala/Asp/Phe/Lys/Lys
200292.91 119644.61 180618.39 131832.50
Ala/Asp/Ser/Ser/Thr
264309.57 175378.07 252458.58 179372.22
Ala/Cys/Asp/Asn/Trp
140334.43 170048.96 169083.22 182497.65
Ala/Cys/Asp/Asp/Tyr
399961.93 318737.75 584056.19 322908.91
Ala/Cys/Asp/Glu
95931.58 39411.62 73402.12 49762.25
Ala/Cys/Asp/Glu/Pro
108006.64 126853.12 115544.94 106785.51
Ala/Cys/Asp/His/Arg
194429.73 39002.34 115441.36 48018.30
Ala/Cys/Asp/Lys/Ser
260372.83 - 185131.81 -
Ala/Cys/Asp/Met/Met
1069899.09 299025.73 703682.98 332518.53
Ala/Cys/Asp/Ser/Trp
55625.35 85915.20 85872.12 83605.66
Ala/Cys/Cys/Asn/Tyr
266555.63 116000.46 179454.77 100213.04
Ala/Cys/Cys/Asp/His
284394.88 37438.09 93606.18 37041.39
Ala/Cys/Cys/Met/Met
176536.16 294487.32 201657.24 260808.99
Ala/Cys/Gln/Tyr
124858.55 103556.90 113673.32 112276.65
Ala/Cys/Glu/Met/Met
146409.68 - 92044.80 32309.70
Ala/Cys/His/Ser/Trp
83693.55 111657.21 98150.77 106540.40
Ala/Cys/Thr/Thr/Thr
93897.92 76413.14 98487.86 77916.70
Ala/Gln/Tyr/Tyr/Tyr
167973.30 263240.68 278185.41 256252.53
Ala/Glu/Ala/Glu
271491.50 72111.98 191039.73 77975.59
Ala/Glu/Glu/Gln/Gln
225022.64 333461.46 276142.14 275551.89
Ala/Glu/Glu/Tyr
202782.70 64523.22 94348.68 56554.98
Ala/Glu/Ile/Thr
272970.37 56159.04 151694.27 55528.64
Ala/Glu/Pro
144233.75 77629.49 120204.59 78773.95
Ala/Gly
154852.90 22402.73 68842.22 22276.22
Ala/Gly/Tyr
7030530.62 2149271.33 4711713.50 2027126.96
Ala/Ile/Arg/Thr/Tyr
158012.55 - 62046.65 -
Ala/Ile/Ile/Gln/Val
79565.93 109173.59 101658.76 99972.89
Ala/Ile/Met/Asn/Arg
92454.15 47557.12 84214.72 37914.06
Ala/Leu/Asn/Gly
351732.55 11613.58 130270.59 12212.57
Ala/Leu/Asp/Gly
138708.95 24786.31 88403.18 22663.32
Ala/Leu/Thr/Ser
820814.48 416568.84 679953.38 411842.67
Ala/Lys/Asp/Pro
167204.08 - 93897.35 -
Ala/Lys/Ser/Ser/Trp
133349.55 - 46267.36 -
Ala/Met/Gln/Ser
82837.35 103495.38 90767.92 84353.12
Ala/Met/Met/Met
262392.58 187024.21 186654.85 120318.27
Ala/Phe/Met/Pro/Arg
85014.40 111853.28 90184.74 105064.69
Ala/Ser
1185272.56 117810.81 555328.09 116872.45
Ala/Ser/Ser/Ser/Thr
100104.56 104347.26 98964.04 106659.91
Ala/Thr/Thr/Ala
92983.95 68282.53 88878.77 63228.61
Ala/Thr/Val/Ser
180844.44 52178.51 138495.81 51132.94
Ala/Val/Asp/Asp
1442476.19 510482.47 1253806.08 525634.11
Ala/Val/Asp/Ser
493321.62 184929.95 373516.47 171922.88
Albomaculine
645649.42 582338.77 597212.12 626847.81
aldehydo-octose 8-phosphate
58080.80 54037.08 52888.21 46250.30
"alpha,alpha^-Diethyl-4,4^-bis(2-propynyloxy)stilbene"
333427.05 196046.58 284473.75 193940.55
alpha-glutamyl-L-hydroxyproline
229331.63 103144.52 183480.41 89153.09
alpha-Irone
2395604.94 1340578.33 2033675.08 1419501.25
Alpha-Ketooctanoic acid
636337.59 435854.38 621975.21 439789.15
Alpha-Linolenic acid
2106165.62 1789328.83 1855666.08 1608883.67
Amidosulfonic acid
623074.58 543957.98 597642.40 552647.19
ancymidol
484871.05 417293.07 443156.51 451816.53
Anisatin
76381.57 96554.76 82978.58 82384.32
Apiole
613991.08 631859.75 639958.35 638758.85
apo-14^-zeta-carotenal
239719.40 228214.96 203714.11 243798.32
a polyisoprenyl-major wall teichoic acid (B. subtilis 168)
215123.95 130544.98 178233.68 136063.21
Arabinonate
366999.98 487817.02 391886.82 417309.69
Arachidic acid
1789416.41 1721516.00 1830962.54 1611789.17
Arachidonic acid
2159361.31 2978615.00 2473594.71 2635409.08
Arecoline
161017.12 154573.14 172628.10 138052.20
Arg/Asn/Asp/Cys
207191.37 57787.82 117446.56 50475.14
Arg/Ile/Ile/Phe
233548.26 297247.19 340295.32 297919.80
Arg/Phe/Phe/His
71688.95 67823.78 91862.62 70897.42
Ascorbate
35910.21 15071.26 9361.13 -
Asn/Arg/Thr/Thr/Tyr
240870.41 337104.99 380593.97 313551.72
Asn/Asp
99453.32 35781.45 58696.89 36222.56
Asn/Asp/Cys/Pro
132095.88 106083.47 96300.39 88186.27
Asn/Cys/Ser
1754688.84 1512174.96 1955280.92 1790237.62
Asn/Gly
295053.72 99287.67 217712.12 110590.91
Asn/Ile/Ile/Ser
430142.41 351215.43 417165.39 328695.10
Asn/Leu/Asn/Asp
101656.08 69958.57 105181.89 69020.66
Asn/Leu/Gln/Ser
104305.13 65804.18 102410.80 59363.58
Asn/Leu/Ser/Tyr
85013.17 10223.79 48624.26 -
Asn/Met/Asp/Gln
151966.60 135708.82 152203.12 126659.73
Asn/Met/Cys/Gly
65658.71 81558.23 80663.84 93113.69
Asn/Met/Pro/Ser
385725.93 248484.56 308074.88 229083.68
Asn/Met/Thr/Gln
129128.38 83032.90 127905.62 87574.37
Asn/Pro/Pro
245256.86 156470.20 207905.25 148977.02
Asn/Ser
87128.22 112890.98 115856.54 116983.57
Asn/Val/Ser/Ser
96984.67 - 45489.20 -
Asp/Arg/Ser/Ser/Tyr
169960.43 150980.39 202350.84 140487.93
Aspartate-semialdehyde
690906.94 876757.04 792724.48 847101.40
Asp/Asn/Thr/Thr/Thr
107827.16 61449.07 79747.88 57928.58
Asp/Asp/Asn/Asn/Asn
100306.97 19655.70 53956.40 15923.76
Asp/Asp/Asp/Arg/Thr
93593.42 58083.55 77134.64 56917.10
Asp/Asp/Glu/Glu/Pro
91457.66 - 37975.19 -
Asp/Asp/Gly/His/Trp
50845.91 21911.43 27717.99 12408.52
Asp/Asp/Ile/Trp/Tyr
77172.55 82320.86 111351.33 75641.37
Asp/Cys/Gly
175615.50 86266.87 128600.91 96949.62
Asp/Glu/Arg/Thr/Tyr
86279.50 115301.96 107417.01 108970.78
Asp/Glu/Glu/Thr
3455792.38 474490.07 1845597.67 466497.29
Asp/Glu/Ile/Gln/Gln
222296.09 17368.95 147963.30 17611.40
Asp/Glu/Ile/Lys/Pro
843274.62 256674.03 616617.81 269596.55
Asp/Glu/Lys/Lys/Lys
82114.52 95740.07 95098.40 85871.33
Asp/Glu/Lys/Thr/Thr
113104.13 99025.36 130066.69 94234.98
Asp/Glu/Phe/Phe/Trp
617908.75 1169557.12 886951.48 1310969.54
Asp/Gly
287479.86 105037.57 193345.14 80922.51
Asp/Gly/Asn/Asn/Trp
334148.48 49096.48 128541.60 51360.07
Asp/Gly/Pro
143894.62 130871.92 135687.82 95584.18
Asp/Gly/Tyr/Tyr/Tyr
62770.22 92969.22 72581.76 88044.63
Asp/His/Met/Pro/Arg
5770345.62 4567694.83 5436218.83 4163987.25
Asp/Ile/Arg/Thr/Tyr
224740.55 44870.64 212175.81 43718.75
Asp/Ile/Ile/Met/Trp
507170.27 380094.49 438531.76 393517.22
Asp/Ile/Ile/Thr/Thr
343896.05 76996.20 189620.53 -
Asp/Leu
562091.52 206399.08 329868.29 194817.51
Asp/Leu/Ser
3290202.44 194613.26 1510175.33 162001.13
Asp/Lys/Met/Gln/Thr
1737385.44 57699.44 916245.17 60372.31
Asp/Met/Asp/Gly
47017.26 30870.36 35685.91 38553.38
Asp/Met/Phe/Phe
273578.13 376319.08 345902.75 417106.42
Asp/Phe/Cys/Gly
176910.41 88639.28 118321.03 84031.46
Asp/Phe/Phe/Met/Tyr
260410.50 65923.26 237642.83 119244.49
Asp/Pro/Ser
1781688.66 378551.25 1033554.31 344868.46
Asp/Pro/Ser/Tyr
383419.16 271129.88 349414.49 248704.16
Asp/Ser
152695.92 32581.79 81354.90 36174.02
Asp/Thr/Ser/Ser
807203.09 98956.78 335560.48 98325.44
Asp/Tyr
209806.05 78861.29 158651.66 63651.45
Azelaic acid
379591.85 489582.74 486798.14 424387.47
Behenic acid
73442.13 231746.69 162061.09 208213.07
Bendiocarb
126150.20 101928.00 108586.11 102534.23
Bile salt
2367117.47 715279.73 1627433.75 752568.50
Botrydial
777416.54 759164.73 843136.35 518593.05
Brassicanal B
194045.73 204223.61 210164.35 211728.56
Candimine
124224.84 - 65104.23 -
Capric acid
1009774.39 673801.60 946718.58 795233.15
CDP-Ethanolamine
5100168.00 2610681.50 3144567.33 2460162.42
CDP-N-dimethylethanolamine
134471.73 69460.86 63672.83 52414.92
Cer(d33:1)
209408.22 204295.43 181569.67 217750.88
Cer(d34:2)
360486.21 352835.82 334277.71 372442.81
Cer(d36:1)
171505.71 168431.62 164377.01 193105.80
Cer(d38:2)
97698.51 123699.98 97577.38 140572.29
Cer(d40:1)
318536.31 173462.84 207624.85 189548.71
Cer(d40:2)
506096.65 391578.09 194951.72 541367.47
Cer(d41:2)
293204.91 318859.50 266510.88 287597.08
Chaetoglobosin A
75006.30 98491.76 194465.08 99336.34
Chelirubine
540768.80 486567.68 369201.53 316491.41
Chenodeoxyglycocholate
713643.00 329293.05 567040.42 387478.59
Chlorate
671144.59 971745.00 682678.96 1023617.06
Chlorotrianisene
115203.94 30338.50 60645.58 30241.85
Cholic acid
12745068.25 2665773.00 7324474.17 2393386.42
Cidofovir
127678.88 89562.73 90136.33 70628.75
cis-Aconitic acid
296058.24 167684.90 187308.64 190716.41
cis-(homo)3aconitate
251552.79 291239.82 269090.50 266769.74
Citric acid
1145202.81 901913.35 77125.86 988220.62
Cladinose
224359.78 244721.95 306821.58 193163.54
Clavulanate
523841.17 248329.04 353091.76 236708.97
coptisine
3943662.31 2621156.83 3396120.08 2599175.83
Cyclic ADP-ribose
20703289.00 14507490.00 17768806.67 13591486.00
cyclopentanehexanoic acid
99058.60 99322.28 84680.09 94540.88
"cyclopropane phosphatidylglycerol (dihexadec-9,10-cyclo-ano...
200770.30 93490.55 129051.82 93801.28
Cys/Asn/Gln/Arg/Arg
597056.23 582919.79 553332.35 566435.50
Cys/Asp/Asp/Gly/Pro
78976.12 96463.48 98997.29 108662.20
Cys/Asp/Asp/Ser/Thr
242466.44 154157.93 226847.99 132837.14
Cys/Asp/Gly/Pro/Ser
85941.71 33008.51 66353.02 30654.49
Cys/Asp/Phe/His/Arg
379279.16 67393.04 216452.51 63376.29
Cys/Cys/Asp/Met/Pro
120619.91 73913.85 84483.68 71462.42
Cys/Cys/Asp/Met/Thr
262637.63 290230.30 349606.04 309471.24
Cys/Cys/Cys/Gly/Ser
346755.03 148541.87 92173.38 167798.83
Cys/Cys/Cys/His/Thr
194461.75 170500.72 295592.33 171302.79
Cys/Cys/Cys/Leu/Trp
- 138055.57 36803.14 107052.42
Cys/Cys/Gly/His/Arg
120546.09 98163.88 119334.30 114972.99
Cys/Cys/His/Asn/Gln
49686.01 35456.10 43138.64 34672.38
Cys/Cys/His/Gln/Gln
303496.14 416148.04 329734.64 406185.80
Cys/Cys/Leu/Met/Trp
- 453801.65 80769.71 312289.42
Cys/Cys/Met/Met/Met
174692.78 53170.16 81093.41 54605.84
Cys/Gln/Gln/Arg/Arg
789361.30 32141.14 352777.01 25927.31
Cys/Gly
154045.16 80725.91 141823.53 85293.46
Cys/Gly/Lys/Ser/Tyr
273123.78 - 121597.60 -
Cys/Gly/Trp/Trp/Trp
480925.84 525650.95 514072.28 534372.54
Cys/His/Asn/Ser/Ser
77763.99 100450.12 70169.93 108771.55
Cys/His/Pro/Arg/Thr
170127.06 - 115867.94 -
Cys/Ile/Arg/Trp/Trp
273647.38 214576.99 225105.27 196425.65
Cys/Ile/Ile/Lys/Trp
64798.60 108585.61 86407.74 93973.72
Cys/Ile/Ile/Met/Met
110475.99 85945.65 102819.30 68065.81
Cys/Met/Gln/Pro
198337.39 392796.57 233089.86 412447.14
Cys/Met/Gly/Pro
12343.22 9704.91 12932.68 10460.28
Cys/Met/Met/Phe
87891.84 89136.60 73617.79 83507.80
Cys/Phe/Gly/Asn/Trp
64168.58 94731.96 81554.01 87811.86
Cys/Ser/His
138943.45 67202.27 161367.37 71145.65
cysteine-adenylate
80829.51 - 55198.69 -
cytidine 5^-{[hydroxy(2-hydroxyethyl)phosphonoyl]phosphate}
255406.88 298906.95 288687.28 303288.39
demethyl-phosphinothricin
214903.17 129507.30 222681.67 177386.22
deoxypumiloside
746178.94 186029.51 407926.72 165391.89
Deoxyribose
95590.46 122095.90 99486.34 107666.20
Deoxyribose 5-phosphate
314744.55 269351.29 157956.01 230348.30
DG(11D3/11M3/0:0)
541609.25 466481.91 514587.32 553716.15
DG(11D3/11M5/0:0)
160134.73 196553.23 142044.80 158484.73
DG(11M3/9D3/0:0)
274594.43 170338.62 224810.16 160816.57
Dictyoquinazol C
119771.24 102585.18 120841.67 112914.86
Diethyl adipate
236963.94 203642.01 191389.09 194811.08
Diethyl oxalpropionate
442157.98 386958.96 490086.76 461563.36
Diethyl tartrate
67805.95 69781.63 68439.37 72966.46
Dihydroclavaminic acid
150107.42 51414.61 131188.04 40299.72
Dihydroxyacetone phosphate
26002.58 130561.31 23116.37 153707.69
Diketogulonic acid
545979.62 431997.20 351879.06 459495.45
Dimethyl adipate
396689.82 312046.92 489365.68 331487.24
Docosahexaenoic acid
351485.34 536168.64 407290.45 453478.32
Docosapentaenoic acid (22n-3)
1271668.97 1686505.17 1501401.00 1463775.21
Dodecanedioic acid
153279.05 138601.72 149792.54 131462.85
Dodecanoic acid
2931062.19 2446653.83 2594417.67 2386897.25
Dopamine
4544845.94 2766024.17 3688983.75 2763837.17
Dopaquinone
306022.48 199745.61 270855.53 214664.20
Drotaverine
103286.95 123531.38 122120.72 132063.03
dTDP
519316.12 546093.14 939891.35 512136.04
Eicosenoic acid
276521.89 392393.74 368461.76 363787.03
Epinephrine sulfate
126094.79 99396.88 127485.53 74439.89
erucamide
216261.51 218378.93 207526.38 215048.62
erythro-L-galacto-Nonulose
98268.64 99801.66 77657.43 104096.27
Erythronic acid
3942267.75 1817345.83 3109769.50 1498261.46
ethyl-(2R)-methyl-(3S)-hydroxybutanoate
88270.98 87023.16 86402.22 84524.56
Ethyl 3-oxohexanoate
337486.59 297825.21 330484.90 287189.52
Ethyladipic acid
321017.76 371116.18 310179.85 376954.79
Ethylene brassylate
43799.08 44675.37 48955.62 49430.34
Euchrenone b3
114737.25 127395.01 117765.26 125896.65
FA (19:1)
347198.25 361838.36 400486.69 386266.32
FA (23:1)
90690.48 175817.46 140833.64 164274.28
FA dioxo(10:0)
218341.51 261218.39 221945.94 225140.40
FA methyl(16:1)
928050.94 732732.81 741950.50 706955.71
FA methyl(8:0)
4416666.19 3031933.67 4118388.67 3362495.42
FA oxo(7:0)
745772.42 495304.51 795329.35 467276.33
ferric dicitrate
106105.42 85107.30 84904.00 71566.15
Ferruginol
287228.08 388138.57 320448.96 392658.58
Flavaprin
82066.62 111267.52 95559.93 118029.89
Flucythrinate
192117.25 137121.37 164455.84 109911.73
Fluocinolone
74681.94 81608.24 87328.78 80785.05
Formylglutathione
143479.27 138720.40 105520.38 125429.05
formyl-isoglutamine
150386.23 33469.23 83232.38 30889.12
Formylpyruvate
765213.30 376345.55 482148.08 346343.76
Fructose
5671971.38 6291566.50 5681361.00 5569839.17
Fructose 6-phosphate
1041012.59 1001521.92 768582.54 982731.33
Fucose 1-phosphate
240905.68 36932.13 117421.70 47298.56
Fumaric acid
366950.16 205295.46 289703.94 215949.27
Fumarycarnitine
187214.46 229316.83 213686.07 198405.35
Galactinoldihydrate
100332.30 136501.19 106545.99 122059.79
Galacto-2-heptulose
114534.79 114908.55 123786.04 98539.85
Galactonic acid
66687426.00 55019116.00 58760942.67 50429364.00
Galactose
2278933.19 2910463.83 2632711.67 3192097.83
gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide
345082.21 97891.67 251590.38 82400.65
"GDP-3,6-dideoxy-D-galactose"
2298726.22 1510814.54 1913769.71 1504318.88
Genipin
363564.55 214496.80 366007.94 287706.18
Gentisyl alcohol
150100.36 134240.17 135687.38 138844.80
Gln/Val/Pro/Pro
199164.75 124031.76 152702.58 106462.49
Glu/Ala/Gly
171412.27 96260.85 101359.22 87666.09
Glu/Ala/Ile
125930.88 - 45497.20 -
Glu/Ala/Ser
3871328.38 1020544.31 2202278.83 1242406.90
Glu/Asp/Phe
89380.63 45509.87 59196.11 26466.06
Glu/Asp/Pro
149288.01 45848.59 90253.46 49008.51
Glucosamine 6-phosphate
168133.54 322737.34 211426.45 358468.19
glucosylglycerate
273587.49 281277.98 264902.86 275060.39
Glucuronic acid
151615.89 210557.31 129385.21 201860.72
Glu/Glu/Glu/Phe/Pro
183560.47 177107.95 212436.17 169893.52
Glu/Gly/Val
122318.09 67859.93 86599.53 71643.04
Glu/Leu
1707079.06 250738.66 872400.27 237300.53
Glu/Lys/Met/Met/Pro
106399.55 - 55847.43 -
Glu/Met/Ser
128646.48 373859.49 172983.76 370672.33
Glu/Phe/Asp/Asp
21153.11 27910.56 21766.36 18269.58
Glutamate methylester
600590.00 581040.08 664554.21 462894.31
Glutamic acid
89210356.00 128030744.00 98607669.33 127022293.33
Glutamic gamma-semialdehyde
299734.71 118554.38 239447.89 104518.76
glutathione sulfinate
919691.64 801413.52 886351.69 813756.08
Glu/Thr
10819694.25 2699394.92 5604155.67 2884426.75
Glu/Thr/Val/Gly
108285.18 63873.09 86811.76 69571.35
Glu/Val/Val
350718.44 164730.56 256537.58 164717.31
Glyceraldehyde 3-phosphate
39234.09 16095.44 3759.00 -
Glyceric acid
335577.04 255005.59 233248.56 262150.62
"Glyceric acid 1,3-biphosphate"
99155.21 51525.31 61140.81 56595.41
"Glycerol 1,3-didodecanoate 2-decanoate"
525929.28 348103.00 380748.54 335914.67
Glycerol 3-phosphate
7707457.75 19657634.00 8881523.33 19330708.00
glycero-L-galacto-Octulose
472798.54 590459.06 579628.83 603571.66
Glycerol tributanoate
168001.95 119936.97 151656.10 112981.11
Glycerol tripropanoate
50951.98 63983.88 58004.71 54713.27
Glycerophosphoglycerol
14968168.75 11235755.33 11324795.67 11140385.67
Glycine
2005390.06 1963589.33 1916100.17 1871071.50
glycyl-L-hydroxyproline
1391371.00 132056.28 685156.50 131427.27
Gly/Ser
168833.18 39329.69 100794.85 37161.73
Gly/Ser/Tyr
5149704.75 2957806.75 4229801.92 2883313.83
"Gossypetin 7,4^-dimethyl ether 8-acetate"
73907.25 107408.27 92217.15 120737.98
Guanosine diphosphate mannose
117513.21 94612.45 92823.58 76123.17
"Gulono-1,4-lactone"
4069861.06 4379309.83 4161936.58 4362429.33
Heptadecanoic acid
1514815.72 2619200.75 2122330.29 2740858.17
heptaprenylphospho-beta-D-mannose
326866.85 233831.80 288004.38 217187.01
Hericenone C
97188.79 62262.75 80379.57 47028.93
hexafluorophosphate
97065.23 84902.73 99620.50 87210.78
His/Arg/Arg/Val/Trp
234166.54 237602.79 225304.45 224883.40
Hydantoin-5-propionic acid
138752.97 34782.77 81934.36 34320.60
Hydrogen phosphate
24410577.50 24387398.67 25952064.00 24881462.00
hydroxy-3-(tetradecenoyloxy)-propanoic acid
78668.29 85100.88 85977.02 80934.01
hydroxylauric acid
196442.66 146449.02 163658.99 129622.62
Hydroxymethylphosphonate
2726291.25 1547523.75 1966744.67 1662807.83
Hydroxypropionic acid
2632189.88 2374478.08 2515066.92 2080047.88
Hydroxypyruvic acid
181859.15 266518.56 114772.10 202416.47
Hymenoflorin
31757.03 61803.94 41469.03 45874.73
Hymenoxon
59004.01 144505.64 73238.03 100750.79
Hymexazol O-glucoside
108295.33 48268.00 64917.60 46729.90
Ile/Ala/Ser
372954.46 80505.85 222374.34 77140.53
Ile/Asp/Gly
186624.40 40172.83 110160.54 42783.92
Ile/Lys/Lys/Ser/Val
128333.85 120940.61 138435.52 113636.80
Ile/Met/Met
171782.43 85671.12 137824.05 85359.06
Ile/Ser/Thr
167142.24 120974.62 150442.18 121968.56
Ile/Trp
277158.62 - 131967.15 -
Ile/Tyr
156724.68 125016.09 168103.57 133609.02
Imidazoleacetic acid ribotide
469951.61 79118.90 259658.56 79668.65
Iminodiacetic acid
31853974.00 21472465.33 29380638.00 22470044.67
Indoleacrylic acid
163246.22 147559.13 162639.36 156417.60
Inosine
472400.83 438375.94 506891.06 421156.67
Inosinic acid
5974690.88 6419909.50 3810741.83 6388855.50
Inositol cyclic phosphate
198770.96 147668.76 167810.18 144371.89
iodovulone I
95797.28 69675.97 100980.58 68649.51
Ketoleucine
949983.41 816444.21 1273727.23 824600.19
kifunensine
20496308.00 13649403.33 18197072.00 14067221.00
LacCer(d32:1)
1985228.69 1930408.67 1801663.21 1897242.00
Lactic acid
74208758.00 45501377.33 64489454.67 40129092.00
Lactosylceramide (d18:1/12:0)
5778296.38 5055382.33 6447966.00 5915368.50
lesquerolate
61513.60 43852.01 69827.56 72605.27
Leu/Ala/Ala
3440104.62 - 1392337.12 -
Leucodopachrome
36919.02 101235.25 36781.92 51559.55
Linoleic acid
7123772.25 5093837.42 6951125.67 6669013.83
Longifolonine
2176011.62 1871725.79 2006897.00 1909121.58
Lynestrenol
248647.80 286397.82 271507.53 302018.47
Lys/Arg/Arg/Arg/Arg
10137680.75 4159858.67 6166847.67 4594781.00
Lys/Gly
886366.06 108979.18 361767.96 102488.68
LysoPA(16:0)
143845.70 42298.88 39647.11 53802.28
LysoPA(18:1)
167829.56 94735.36 91254.34 88115.49
LysoPC(20:3)
- 115169.48 54297.82 79818.53
LysoPE(18:2)
182840.42 194178.22 179207.50 174988.12
LysoPE(18:3)
119683.21 108247.46 119069.13 86830.10
LysoPE(20:4)
174766.14 289252.60 176021.87 226241.94
LysoPG(16:0)
1740119.50 1455685.46 1750822.79 1366715.08
LysoPG(18:1)
340787.02 340226.76 375772.91 342079.43
LysoPG(18:2)
312899.69 256116.06 322344.27 249497.74
LysoPI(17:0)
114096.93 77418.37 88695.92 72803.59
LysoPI(20:3)
83271.43 155823.39 117347.45 147044.18
LysoPS(16:0)
55446.36 115291.98 114710.64 118361.07
LysoPS(20:4)
111192.61 507004.80 318672.64 513999.68
LysoPS(20:5)
52857.26 198018.13 122631.54 201919.11
Maleic acid homopolymer
475462.48 358655.89 569228.18 433182.97
Malic acid
2898984.19 1459773.08 1631015.92 1290704.67
Malonic semialdehyde
1882805.12 1966884.08 1868210.75 1934557.83
malyl alpha-D-glucosaminide
- 1202582.38 108516.11 665238.28
mandeloylglutathione
174784.06 228675.26 163939.82 252161.41
Mannitol
5810144.38 7952234.83 6672808.33 8093461.33
Mannitol 1-phosphate
2600768.50 2054629.42 1750745.42 2030967.58
Melatonin glucuronide
76478.01 87428.13 72341.50 77305.25
Metazocine
155362.14 149250.61 141997.41 129875.14
methyl-5^-thioinosine
361835.38 132113.05 301290.64 133529.89
Methyl jasmonate
133589.02 161039.85 139330.28 144145.61
Methylmalonic acid
11299977.75 7433202.67 8213394.17 6652063.50
Met/Val
249662.28 - 73786.98 -
MG(14:1)
49223.84 49406.08 42672.14 34245.56
Miraxanthin-III
78878.18 73692.77 96446.06 63970.18
monic acid
183898.88 194630.31 184351.42 191622.36
monolinuron
82762.51 59443.03 86810.05 61769.58
Monomethyl sulfate
593642.88 382066.32 439752.10 374777.93
Muricatenol
187031.53 103967.13 119282.50 104637.12
mycosporine glycine
139386.07 99496.50 111745.74 88604.72
Myristic acid
2185113.81 2462406.25 2096977.25 2065046.83
N-23-dihydroxybenzoyl-L-serine
14949.75 19226.12 11439.11 14333.81
N2-Succinyl-L-glutamic acid 5-semialdehyde
20956.59 76864.34 21384.59 40386.88
"N3-fumaramoyl-L-2,3-diaminopropanoate"
41039.45 34421.62 35217.02 30865.82
N3-hydroxyethylcytosine
1348830.75 815573.15 1158809.25 768875.42
N4-acetyl-N4-hydroxy-1-aminopropane
1199184.53 668906.71 891004.62 691610.12
N-(4-oxoglutaryl)-L-cysteinylglycine
12129091.75 4475264.92 7036656.67 3972793.50
N-Acetylanthranilate
510021.56 439655.48 483015.30 482795.20
N-Acetylasparagine
130643.29 79857.66 83994.25 75440.98
N-Acetylaspartylglutamic acid
141069.03 97836.26 99544.78 94230.07
N-acetyldemethylphosphinothricyl-L-alanyl-L-leucine
153932.51 269028.68 201272.16 287717.03
N-Acetyl-D-glucosaminate
469804.60 510307.72 453084.30 515960.46
N-Acetyl-D-Glucosamine 6-Phosphate
173574.95 144741.16 136064.25 173468.61
N-Acetylglutamic acid
8077346.12 9187118.00 7714879.67 8961446.50
N-Acetyl-L-aspartic acid
1339963.53 821283.79 1018651.46 787365.17
N-Acetyl-L-methionine
13679602.75 9852039.00 15557509.67 8058486.83
N-Acetyl-S-(N-methylcarbamoyl)cysteine
237447.54 241233.83 232321.16 225853.21
NAD stem group
101485.12 37704.79 62751.03 30465.25
Narceine
98796.30 17854.87 52751.52 14459.70
N-Benzyloxycarbonylglycine
5948409.75 5445159.83 5599439.50 5014442.83
N-(butyryl)-L-homoserine
559870.41 224228.46 514682.78 203047.21
N-Decanoylglycine
147844.49 92757.38 172773.97 155394.86
Neodulin
161098.47 114902.34 119139.05 113262.03
Nervonic acid
67636.77 131842.62 84760.19 119875.01
N-Formimino-L-glutamate
196600.72 73484.43 168533.51 91635.64
N-Gluconyl ethanolamine phosphate
495191.93 1204167.85 462648.21 1287744.33
nhatrangin B
91959.54 15575.09 14703.05 -
N-Hydroxy-L-tyrosine
66391.02 120185.08 71630.66 88562.37
nicotinamide guanine dinucleotide
166326.68 67420.58 94126.29 57202.82
nicotinic acid N-oxide
223169.36 212796.51 213548.83 234975.27
Nitroethane
621795.73 505744.40 674068.12 467790.30
N-Lignoceroylsphingosine
198928.19 143073.97 136736.03 129484.65
N-methylmaleimide
161991.78 137792.31 157975.89 150036.92
"N,N-Dihydroxy-L-tyrosine"
319125.18 212978.56 295290.57 222634.28
"N,N-Dimethylsphingosine"
149674.65 319672.16 272540.07 325627.16
N-Nitrosoproline
119404.90 79959.97 106834.00 91756.95
N-Nonanoylglycine
696496.78 462864.11 904618.76 861492.76
nocardicin E
83397.80 203851.71 96568.03 160436.57
nocardicin G
448115.71 522184.04 477572.52 551619.80
N-Oleoylethanolamine
86690.67 166134.71 148023.31 172937.85
Nonate
478108.13 349649.89 641669.39 360280.64
Norepinephrine sulfate
1130382.27 4100413.83 1843781.71 3459963.17
N-Palmitoylsphingosine
972761.47 898898.23 714644.39 1156226.88
N-Succinyl-L-glutamate
43208204.00 24694080.67 34475630.00 20406136.00
O-Acetylserine
12479197.75 10108623.00 13286709.00 7914390.00
Oleoyl-CoA
400738.98 214505.12 323325.09 177905.14
Orotic acid
665503.52 194256.24 459129.18 225423.43
Orotidine
3776668.56 3035984.67 3367201.17 3091427.42
Oxamate
380241.93 484890.19 403210.96 443169.65
Oxoglutaric acid
9517116.38 2920595.33 2815149.00 2775718.08
PA(32:1)
439063.47 185512.92 192617.24 172090.92
PA(33:1)
259857.75 99311.66 109812.00 100757.49
PA(34:1)
276352.70 164172.22 219442.99 138394.52
PA(38:6)
199769.16 114730.52 107130.14 112559.27
Palmitoleic acid
2299081.88 1477649.83 1645490.38 1401142.12
Palmitoylethanolamide
95503.54 172367.89 136750.66 178066.64
p-aminobenzoyl glutamate
2984967.75 3191530.50 2517814.58 2870254.00
Pantetheine 4^-phosphate
128789.57 118557.73 213514.92 110164.87
PC(31:1)
3749641.19 3735770.67 3388936.67 3466554.92
PC(31:3)
690616.31 638730.04 812991.44 590800.31
PC(33:2)
1165229.84 1052764.44 1038084.25 980658.75
"PC(DiMe(11,3)/MonoMe(11,3))"
374851.12 249599.90 234699.06 259754.34
P-DPD
2457101.31 1217247.75 1244192.33 1207778.71
PE(30:4)
364824.20 331864.21 316938.00 340265.96
PE(34:3)
263871.88 211799.10 221214.67 212373.37
PE(36:5)
393385.15 404985.92 380154.98 356266.34
PE(38:3)
535860.06 413101.74 521987.71 323627.56
PE(P-36:3)
157943.34 182940.70 173882.61 154024.86
PE(P-36:4)
162962.54 171725.88 169615.77 174661.56
PE(P-38:5)
266801.13 204867.27 219638.50 202417.19
peroxysulfate
102438.63 121495.40 143706.88 135119.83
PG(17:0)
225470.88 149241.11 220747.33 138056.58
PG(33:1)
1561203.09 553899.12 983048.02 586712.98
PG(33:2)
295210.80 141795.48 190654.04 161754.09
PG(34:2)
4385322.75 1215721.46 2536551.12 2070228.83
PG(34:3)
857629.16 457341.81 652953.19 299708.63
PG(35:1)
2349430.59 588617.16 985962.08 580794.85
PG(35:2)
2017708.94 690254.54 1109208.12 750857.88
PG(35:3)
794475.34 303373.76 451502.80 308523.32
PG(37:5)
312645.77 156510.81 200748.58 170346.40
PG(40:10)
474475.21 752601.31 445895.03 518450.38
Phe/Asp
617954.27 113516.99 309947.77 109761.12
Phe/His/His/His/Pro
124741.89 229576.42 212612.21 208079.63
Phe/Lys/Met/Arg/Arg
138566.09 170267.48 142314.53 165069.73
Phenethylamine glucuronide
131016.26 211305.14 127245.25 164584.55
Phenolsulfonphthalein
173199040.00 93217706.67 136694333.33 88850261.33
Phe/Pro/Pro/Thr/Trp
108232.03 214785.38 188760.53 233229.68
PHHdiA-PE
94750.86 172503.61 57521.32 117675.20
PHODiA-PE
98807.03 255099.59 93528.58 176691.68
Phosphodimethylethanolamine
8156829.25 7698360.50 10704728.33 7769380.67
Phosphoenolpyruvic acid
- 54408.27 28617.34 62055.73
Phosphoserine
70952.46 33877.84 43724.94 30592.36
Phyllospadine
490242.82 612004.29 519223.19 559995.04
PI(16:1)
103401.18 80937.92 117481.73 79214.31
PI(18:2)
276008.37 472238.11 432050.05 431779.76
PI(18:3)
137030.41 135257.00 184784.72 155228.41
PI(20:5)
116288.97 126484.59 145109.28 133183.39
PI(34:1)
245599.20 253515.61 227401.46 252612.89
PI(36:2)
755458.47 849203.35 577128.17 946322.79
PI(38:4)
198852.56 323439.03 208670.81 250371.97
P-IsoPGF2-PC
252458.41 169224.90 202658.98 170477.17
Plaunol D
341175.34 445994.55 424087.15 501411.38
"Polyethylene, oxidized"
101501.57 96631.21 72817.54 75041.39
Ponatinib
112972.81 33021.75 57216.87 35941.34
potassium dihydrogen phosphate
96954.43 114262.15 110158.53 79878.69
Proacacipetalin
367031.42 441635.96 432162.39 369755.27
PS(18:3)
70809.06 209160.48 167920.59 218212.59
PS(36:2)
1808743.97 1720124.71 1647936.88 1549867.46
PS(40:6)
909915.73 1111140.88 721957.19 1054277.90
Pseudouridine
116154.64 106996.59 148233.29 87307.77
PS(O-34:1)
1266792.14 1399565.29 1636266.42 1494493.54
PS(O-36:2)
106925.32 136564.35 133056.65 140237.41
PS(O-42:2)
1053989.97 1198840.75 1101547.79 1234232.12
PS(P-34:0)
372507.66 437142.45 364689.25 404374.19
PS(P-42:1)
1053989.97 1198840.75 1101547.79 1226345.58
Pyrimidine 5^-deoxynucleotide
81304.54 78801.70 93042.01 81569.55
Pyroglutamic acid
7097458.38 5612942.50 6624262.33 4647712.83
Pyrophosphate
71998.86 70071.23 71092.35 70355.23
Pyruvaldehyde
297539.89 675493.23 273210.84 395530.30
Pyruvate oxime
205120.60 298204.26 229459.03 249732.83
Pyruvic acid
1891037.62 403798.55 997249.69 394568.60
Quinic acid
1152198.75 1359735.50 1273491.00 1474225.50
Reduced coenzyme F420
105086.79 43332.63 45342.41 42253.14
Reticuline
161010.37 161923.57 145659.33 165514.44
Ribose
350102.00 284808.05 318364.04 264303.42
Ribose 5-phosphate
267173.44 201956.68 153258.17 177695.25
Rishitin
1546153.50 1490676.38 1513288.46 1505674.42
Rugosal
31748.14 69488.73 37055.58 53395.27
Sarcinic acid
1388149.66 1721094.92 1409944.42 1449047.88
Secobarbital
2330108.75 2532187.92 2374274.08 2366488.08
Sedoheptulose 7-phosphate(2-)
831403.50 240357.79 465647.18 217737.11
Ser/Ser/Ser/Thr/Thr
87542.33 39519.38 58842.12 37414.33
"(S,E)-Zearalenone"
128301.96 115362.96 140848.47 123497.98
sinapoyltyramine
228819.27 249541.27 298886.06 293226.95
Sphingosine 1-phosphate
162528.96 144435.34 164137.31 118068.20
Stearic acid
12395340.50 32964962.00 24298113.33 31924401.33
Succinic acid
9257344.12 11981884.67 10528298.33 12047854.00
Succinyladenosine
3653603.25 2067989.04 2652136.83 2109240.62
Sulfate
1817561.41 1893691.71 1212890.46 1851158.21
Sulfinpyrazone sulfide
483819.85 319772.34 399825.99 321801.28
Sulfoacetaldehyde
1266065.53 1006055.38 1010455.19 969812.17
Sulforhodamine B
226333.40 76853.50 93553.39 68241.74
Talbutal
98451.28 91068.75 106267.73 84773.86
Tauro-b-muricholic acid
112064.44 73976.56 91381.34 84545.74
Taurohyocholate
334919.04 182452.66 323867.84 196497.24
Tetracosanoic acid
111551.48 163784.77 146679.47 184913.47
Tetranor-PGF1alpha
72116.41 74285.78 71987.56 60546.90
TG(36:0)
315239.98 290853.79 161802.69 299428.94
TG(49:6)
78662.59 97152.15 92724.66 91947.57
Thr/Ala/Pro
2567822.81 139275.52 980273.15 181743.52
Thr/Asn
906947.69 209041.33 581061.60 201646.41
Thr/Asp
329253.58 63557.05 103469.69 66374.23
threo-1-(p-Hydroxyphenyl)propylene glycol 4^-glucoside
84119.46 132336.03 107071.41 139515.33
Thr/Ser
2066927.00 399004.59 1248671.04 370155.40
Thr/Ser/Ser
110136.95 109138.30 128903.83 125001.41
Thr/Thr
711943.61 130485.16 354515.97 137896.86
Thr/Thr/Ala
171095.14 - 88384.37 -
Thymidine
645739.80 1095122.58 1281342.29 1120536.85
Thymidine 5^-triphosphate
19300.33 85612.74 51187.08 75979.74
Thymine
175436.00 245350.94 400375.55 258251.48
trans-Aconitic acid
94275.48 91098.18 107756.92 99807.48
trans-Dodec-2-enoic acid
126016.38 119099.88 122644.16 119394.61
trans-Tetra-dec-2-enoic acid
275061.60 151271.54 164719.61 151381.19
Tricosanoic acid
117676.34 163330.80 125885.09 188960.31
Tridecanoic acid
744315.33 700582.69 647635.33 660336.12
Tridecanoylglycine
120611.98 94908.11 118743.11 140395.62
Trifluoroacetic acid
461530.76 573188.75 496742.71 587841.96
Trigonelline
682370.16 543457.04 667841.96 508638.44
Trp/Pro/Tyr
134709.30 31740.73 80202.53 35379.08
Tuberculostearic acid
275556.59 456017.16 399555.61 448064.28
Tyrosine
5267446.88 6360465.83 5959973.67 5307648.00
UDP-glucose
1413021.19 1444062.00 1377296.21 1449706.29
Undecanedioic acid
91947.10 112902.98 121112.85 111365.09
Undecanoic acid
476265.53 347372.61 457331.83 357407.81
unstable precolibactin intermediate
105708.74 237902.50 173751.23 197598.46
Uplandicine
353357.63 474562.63 441844.77 492073.34
Ureidoisobutyric acid
487618.46 52187.00 220602.65 49765.30
Ureidosuccinic acid
108663.38 - 3759.00 -
Uridine
738587.30 283959.25 381516.02 234047.03
Uridine 5^-monophosphate
13908000.50 1045335.25 3044041.50 1087450.58
Uridine diphosphate glucuronic acid
23895.38 36948.62 29425.92 31716.90
Uridine diphosphate-N-acetylglucosamine
5706565.00 4905414.17 4513095.33 4757140.00
Uridine triphosphate
36422.88 30017.65 36601.15 26566.63
Val/Ser
766684.31 145674.12 392146.55 152386.21
Val/Thr
4085474.56 283264.73 1696268.58 292564.07
Vinylacetylglycine
854959.05 659420.58 1001284.00 518389.05
Vitamin A
1225720.50 1418050.04 1186701.73 1374323.54
Vitisin B
109681.39 79401.90 96078.26 82493.97
Xanthosine
49391.97 213182.04 78640.47 217281.79
Xanthoxin
411423.19 365966.83 526310.88 414321.70
xi-3-Hydroxy-5-phenylpentanoic acid O-beta-D-Glucopyranoside
145716.52 126059.59 127724.77 93104.61
xi-7-Hydroxyhexadecanedioic acid
- 86443.35 45777.49 69082.68
xi-gamma-Undecalactone
78648.83 60861.09 64238.77 57243.70
Xylobiose
96688.70 95201.55 102614.22 97314.18
Xylose
140103.24 159556.05 134922.62 149530.33

Factors:

F1Treatment:DMSO
F2Treatment:KAE609_20x_IC50
F3Treatment:KAE609_5x_IC50
F4Treatment:WJM992
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