Data for ST001202   

(Analysis AN002000): Average values per metabolite and experimental factor (Units:Peak intensity)

Metabolite structureAll dataF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21F22F23F24F25F26F27F28F29F30F31F32F33F34
1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-g...
231535.30 209652.15 217877.68 190405.80 250726.20 185736.09 186396.51 193432.14 227157.65 245642.08 218993.80 136864.79 206140.72 180496.52 196163.28 141909.42 204663.59 85415.39 90268.53 86318.43 84080.57
1,4-Lactone
153559.11 134507.21 120245.98 96531.53 162821.26 141915.61 127340.71 83445.20 56830.05 133868.56 121177.91 97649.68 70899.97 145662.35 120533.37 97433.97 71413.29 113387.89 114980.20 120818.70 108830.96
1,6-diaminohexane
35873.97 17403.91 53316.37 8645.96 32160.68 16742.26 14002.22 - - 22731.65 - - - 24835.93 9279.57 9801.73 13304.98 - - - 9965.92
1-Methylhypoxanthine
81347.45 100676.58 88098.49 106847.74 92935.62 89291.22 103647.88 111034.85 85973.07 87855.20 87564.69 105054.62 108130.73 97057.06 94138.04 108740.36 98179.87 95586.81 108193.39 105756.06 99069.40
2,3-Dihydroxyindole
41992.82 36903.85 58814.01 94315.01 33272.43 36282.64 65709.56 96261.03 118568.43 37292.72 66084.57 99194.25 120912.75 33283.38 67966.68 107066.32 117695.48 79332.41 69852.79 71150.99 62476.95
2,3-Dimethylmaleate
879702.44 952509.31 628190.00 525494.56 854464.20 883438.47 730442.91 533603.44 323356.95 825027.49 625290.15 519727.84 357352.76 896994.61 640032.14 532570.10 362229.23 242363.46 453145.83 221619.82 185703.38
(24R,24^R)-Fucosterol epoxide
1121201.26 711245.61 853033.36 515695.48 1286691.74 705068.49 588647.29 600328.23 853467.38 1390715.28 890087.73 489070.83 853869.56 710175.73 714484.72 594941.18 842696.29 1087152.37 1232652.23 1180555.18 1677731.25
2-(4-sulfophenyl)butyrate
58765.16 62473.67 70084.73 74179.67 64418.19 57286.34 70420.58 69548.52 64610.06 69259.78 56465.42 57234.71 60288.00 91493.72 80515.25 66410.32 69945.70 54227.11 49758.09 43856.05 62940.48
2-Amino-2-deoxy-D-gluconate
199892.58 302201.96 274653.63 303153.97 212139.04 287633.81 277636.45 287249.65 206179.73 205616.73 209771.52 332707.31 242504.89 271252.65 280563.73 322852.00 225795.14 257077.85 249635.89 264109.75 199551.93
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate
272537.90 267887.56 277461.71 314282.57 254531.56 272293.98 284189.69 333213.39 271894.06 217844.15 240196.89 296365.04 296869.22 266667.68 259454.89 291229.47 323500.95 166216.50 133156.42 151470.64 129538.08
2-Ethylhexyl phthalate
651752.81 530762.42 906811.77 532446.87 817725.24 598895.42 824648.02 600239.41 917341.42 942405.85 988329.45 893018.12 747804.53 1017897.46 639306.69 637007.10 681023.51 992336.09 917077.84 776734.73 1399664.12
2-Furoate
33447.34 44470.92 45182.74 49121.37 37752.77 46144.83 40036.01 45879.05 42568.45 33251.99 43115.22 47936.25 37587.87 38462.59 45747.87 44681.54 38798.37 57786.63 69389.75 64635.61 61377.05
2-hydroxy-3-carboxy-4,5-cyclopropylhex-5-enoate
93466.70 105673.48 93305.39 116828.37 85570.35 86128.76 112279.97 108620.05 92700.08 104976.19 103250.28 106100.80 104120.25 90955.74 95442.04 115907.48 95885.38 129409.98 121895.77 124098.21 113674.51
2-Hydroxy-cis-hex-2,4-dienoate
4936341.57 4174986.12 3854124.51 2830887.06 5346581.73 4812735.80 3916367.55 2512198.34 1577912.63 4586926.73 3865326.67 2733952.48 1928006.14 5448923.35 3849227.84 3074770.89 1973576.60 2535201.19 2569854.03 2448351.23 2274838.43
2-Methylbutyroylcarnitine
159313.15 166804.57 169381.52 182226.67 168892.81 139776.21 181543.51 168455.28 158929.79 159256.85 160517.81 181754.75 171780.28 186333.77 172229.22 190851.41 164703.03 351136.03 332664.06 337265.52 324706.04
3-(1-Pyrrolidinyl)-2-pentanone
212424.33 135879.45 156893.81 114239.87 221538.36 160296.57 135480.35 140610.55 167288.89 216537.47 154411.90 102004.65 144078.26 264227.75 180083.10 134910.70 122135.97 126186.63 162931.25 155669.79 198844.02
3-Amino-2-piperidone
18755.11 18269.80 22329.19 44441.96 17427.28 17742.74 35803.04 39024.90 30835.01 21527.00 23120.54 43474.05 33249.94 18476.56 24847.26 37529.33 25052.45 35991.39 34334.86 40337.48 31774.54
3-Butynoate
44684.25 55694.13 47968.26 52266.26 41890.73 47806.69 55853.80 43444.37 41729.53 46873.14 47993.73 55151.03 42518.40 48812.91 55224.07 51883.40 45220.73 163892.79 134263.99 145625.30 121319.79
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine
64990.66 74037.09 68101.28 84360.35 67991.32 77236.27 83483.70 84727.39 69478.48 64032.02 76583.86 97931.96 84886.33 64569.83 76645.00 89486.42 80798.06 79549.97 83865.96 90057.94 78822.44
3-Methyleneoxindole
72834.45 64000.47 53659.78 64198.09 68962.05 57398.12 64420.60 54917.08 70620.72 67390.78 79096.76 62357.63 78602.81 58834.13 57847.99 59962.50 81105.08 95665.80 89861.06 97069.81 86434.17
3-nitro-2-pentanol
26253.46 55341.81 54068.94 73251.29 64398.35 67349.42 65455.06 76809.75 59776.68 24374.46 66871.78 87324.12 75286.53 44488.92 59614.27 96620.65 82043.58 78628.40 69181.78 76540.90 55270.60
4a-Hydroxytetrahydrobiopterin
264880.40 279131.52 246947.99 251928.22 240474.95 250876.55 270480.36 243949.41 247085.57 246590.77 265706.41 253800.05 234279.18 246158.54 260130.76 265411.04 201366.55 298982.01 295738.22 271351.67 308410.61
4-amino-4-deoxy-L-arabinose
32006.61 29750.31 39339.90 36879.39 32809.15 34033.23 39384.89 34793.31 24887.27 23594.45 32730.86 32080.92 22022.11 30399.96 37912.56 40479.30 24603.11 83280.63 73342.31 81123.82 70823.67
4-Aminobutanal
229343.76 396016.51 369606.03 441517.15 414079.08 381076.10 449241.86 408041.72 422248.65 345384.48 342987.60 480782.73 414823.02 410262.57 384577.05 437184.01 385849.57 200747.99 202650.70 209061.12 185812.03
4-Aminobutanoate
611906.01 679621.19 604471.83 800107.01 609754.36 680952.86 690025.53 700541.12 603386.44 534532.23 654311.51 814971.77 646161.74 719264.23 719712.05 760676.24 685021.53 422103.54 420474.70 436568.44 390387.34
4-Hydroxy-4-methylglutamate
199134.28 255319.99 264470.64 300644.34 224178.84 266627.58 284704.64 316220.56 241098.98 203032.82 255055.16 314512.50 273813.94 207967.94 281229.31 309284.02 275344.14 291667.86 308073.94 321963.23 260390.22
4-Imidazolone-5-propanoate
78400.91 75834.55 70709.86 65375.19 73536.13 79849.16 76362.47 69775.89 53963.07 71680.73 70788.24 74646.93 67100.33 81385.96 76660.79 63114.76 61084.43 104246.00 104421.72 92469.28 93063.65
4-(Trimethylammonio)but-2-enoate
5999987.06 6754022.64 7029718.98 7151642.37 5799314.85 6757748.91 7362053.87 7082100.35 5119539.89 5514082.84 5998846.01 7064730.15 6059069.27 7042474.71 6733705.83 7350647.66 5906976.44 7525661.85 7870797.66 8534038.94 7990718.50
4-Trimethylammoniobutanoate
16048959.54 21349766.59 18856484.38 22288953.87 16454427.44 19932755.91 20928983.96 20766197.72 16534854.06 16494240.35 17864986.03 22497953.70 19312050.36 19551306.27 20189754.60 22313583.86 18442853.79 19282752.10 19493200.79 21383681.53 17836388.08
5,6-Dihydrothymine
1719367.07 2214916.12 2186065.86 2471881.44 1862034.86 2394237.88 2542042.35 2256542.17 1734913.41 1786671.37 1991925.20 2449935.18 2024463.38 2062670.30 2203355.79 2467224.68 2023730.20 4643074.68 4598913.30 5057981.31 4504080.75
5-6-Dihydrouridine
76761.76 115276.79 131228.73 159399.80 116900.93 139786.09 107052.54 136724.10 119371.95 99846.63 117832.03 139673.13 91149.02 97357.87 88904.20 99014.38 93650.91 205682.90 169310.11 210940.33 201858.28
5-Acetamidopentanoate
1439621.41 1652669.47 1599914.06 1766649.89 1426452.09 1672430.38 1764855.20 1700256.91 1276000.60 1372937.76 1328313.55 1788835.92 1598794.52 1642769.60 1618270.26 1715714.08 1445067.86 1687400.39 1742861.73 1731431.23 1523759.55
5-Hydroxytryptophan
515064.83 455165.56 389793.36 496353.18 365222.31 433570.50 481985.02 547678.10 465992.02 342057.47 459224.29 504087.27 549179.65 635571.10 456779.44 583745.35 537869.27 472308.80 610289.06 486662.80 457098.26
5^-Methylthioadenosine
413150.49 701841.74 696017.21 953711.35 509442.22 731958.50 811090.77 935870.55 860762.36 428157.67 781450.14 1090762.71 987162.92 595012.92 797525.65 1250204.46 1078345.86 678957.36 665082.64 736130.85 664564.88
5-Nitro-2-(3-phenylpropylamino)benzoic acid
304760.45 384272.89 548076.19 589089.84 320825.62 344790.07 635355.33 504934.65 401183.10 298024.82 514236.74 651142.73 431364.73 266565.51 548136.03 576372.06 454456.42 404788.89 346289.84 407751.90 407519.32
5S-HETE di-endoperoxide
254481.59 102060.40 596504.85 190807.63 172052.30 134971.32 131578.95 140477.49 414275.06 91416.13 218695.55 87814.63 327833.50 63189.13 224687.99 194184.79 291808.14 144140.40 217799.47 185549.84 366192.63
(+/-)-5-[(tert-Butylamino)-2^-hydroxypropoxy]-1,2,3,4-tetrah...
577830.78 401132.83 676935.81 284979.80 386176.88 342340.06 464074.11 360752.16 350905.30 390541.88 563494.90 249766.91 239454.95 2518441.42 426675.28 323322.62 289568.33 284212.43 233779.56 312434.05 440238.01
6-Acetyl-D-glucose
293774.99 336520.99 301710.37 321290.44 299813.26 298674.09 246982.54 306153.05 275057.80 266217.73 269919.63 344883.31 296881.48 303960.91 301572.96 345227.67 289768.09 399634.81 344227.23 396951.29 281463.45
6-diazo-5-oxonorleucine
88382.69 90426.51 73575.88 75290.77 71164.90 79969.48 71842.94 74426.21 59228.95 78784.00 66293.53 65345.65 80096.38 119181.36 69538.10 88604.67 67779.25 63042.08 59095.10 87360.56 79975.26
6-Hydroxyl-1,6-dihydropurine ribonucleoside
102285.42 149223.55 128926.29 134217.23 127263.17 148321.90 145298.51 143126.13 108549.76 88531.78 101421.51 148318.86 134257.86 145069.00 127743.47 139762.29 135502.63 134230.05 117989.88 126379.08 79129.85
6-methyltetrahydropterin
486461.63 597748.92 461905.07 439465.61 640028.88 496919.27 646101.87 558504.25 473501.29 532215.42 582026.10 623883.42 445602.38 650361.76 469922.89 555416.26 522095.41 621430.28 587976.87 502136.22 618292.61
7,8-H2pterin-6-ylmethyl-l-(4-aminophenyl)-1-deoxy-5-[1-alpha...
80885.19 64829.79 67990.02 63261.39 83246.94 61355.46 64381.12 66210.50 84505.66 87816.47 81138.68 61799.86 78465.59 74135.97 72715.26 66913.37 77422.45 84197.65 87738.23 67600.61 99380.22
8-Amino-7-oxononanoate
3378622.65 4044596.61 3666002.34 4365522.83 3749178.53 3901731.11 4008477.18 4301639.80 3678859.30 3508017.07 3928848.98 4337366.75 4194536.01 3118298.13 3972911.75 4302432.79 4238016.51 4305400.90 4241055.05 4243649.51 4031136.45
Acetyl-CoA
45299.61 70820.10 64555.52 73829.60 47575.40 73006.55 70599.95 78503.08 71548.72 43277.39 58540.65 83944.77 70521.91 45153.62 66552.08 80280.35 73913.75 109904.41 111459.42 136142.21 97478.51
Acetylpseudotropine
46987.66 49049.53 46916.38 57333.49 37229.34 46865.98 51470.15 44923.81 42633.14 42674.75 40011.12 53997.67 48808.02 45890.44 54768.58 58520.72 49750.04 45540.13 45730.47 48164.07 41623.61
a Cysteine adduct
401904.14 394368.23 213011.42 233588.42 484520.82 529857.71 294226.03 259214.39 208529.01 396473.32 262978.68 206551.83 133522.55 464744.03 282771.84 244922.49 138643.23 936981.62 1123474.12 924022.96 914692.62
Adenine
147954.00 173405.72 201959.37 263201.62 171960.86 181435.23 224377.88 220129.76 189781.32 155416.73 199973.70 273704.49 227943.20 172128.60 190691.96 273717.18 225984.25 238862.69 246230.54 236633.08 241209.74
Adenosine
190164.19 203102.08 193790.47 224789.36 191200.70 200027.43 212546.26 216283.46 178189.73 170774.34 186085.47 225443.97 211280.32 217537.37 210689.32 240461.52 227507.34 270831.48 233263.12 242954.57 230212.80
ADP ribose 1^^,2^^-phosphate
65043.25 92540.68 94337.84 122492.73 67222.03 116184.65 120108.28 141689.33 104101.95 66374.71 105112.02 138338.06 119811.91 93407.48 98933.41 150739.20 114919.05 41278.90 37160.38 37870.19 36002.54
Ala-Ala-Ala-Ser
624807.35 631121.13 633288.33 678648.42 618885.92 654893.10 646722.74 653693.80 547259.68 580442.97 604221.52 733083.46 596135.80 654843.45 638476.76 699191.39 596556.81 429672.90 424345.96 443583.07 393182.70
Ala-Asn-Asp
80206.35 96683.40 98845.52 112509.25 83000.41 107889.63 102914.39 112834.83 82996.29 81551.91 93332.66 107492.42 96476.69 94564.29 96157.53 119646.12 92532.43 94473.49 93540.68 97668.44 82827.24
Ala-Asp
122376.88 137578.20 129732.12 143607.28 100629.58 152022.70 148439.72 145899.79 119038.57 115483.15 140643.60 159470.29 98543.35 110321.81 153552.17 158511.32 125661.62 122815.63 127943.58 140499.11 100629.42
Ala-Asp-Asp
58317.27 73427.04 67508.39 77172.06 50006.09 67428.40 75183.03 74996.50 59247.81 54598.19 64886.16 78413.40 62062.89 61337.76 70345.07 80466.12 66459.41 59521.47 65027.52 68132.03 45469.70
Ala-Asp-Asp-Cys
40524.66 51683.12 50116.68 52535.69 43695.61 61599.83 48332.54 58260.49 41572.21 37559.55 44385.18 53943.54 48976.15 42705.52 52977.37 51884.57 45582.90 21997.73 22350.55 29078.23 17142.56
Ala-Asp-Cys-Ser
200930.57 258755.90 249499.69 336629.11 207358.35 279100.76 285702.13 308173.32 261331.04 191199.08 252386.20 373121.87 319213.71 215689.93 275576.83 354139.03 309325.58 88980.94 80663.86 105589.29 78810.15
Ala-Asp-Gly
78400.45 98325.25 88796.14 106052.32 80721.87 105854.08 98078.33 108223.45 79764.23 70677.13 86641.71 108680.71 88259.77 83744.22 100434.67 103234.79 95063.12 81622.02 85696.20 73023.12 68192.19
Ala-Asp-Gly-Tyr
92588.27 107719.01 92315.76 112544.47 96555.45 101350.03 110437.25 116377.41 110767.97 87960.82 103677.77 120396.71 105473.74 111907.16 99561.79 117845.84 106681.75 108076.24 89265.78 93117.40 85593.16
Ala-Asp-Ser
214384.65 267109.43 263085.18 295501.84 224187.98 263761.06 282584.39 292947.66 249277.17 208652.42 258572.10 330140.16 265130.19 248484.79 275438.79 309554.36 261462.06 104519.59 105075.06 109508.21 82812.80
Ala-Leu-Lys-Asp
58556.01 73523.14 72456.32 89946.85 65891.74 78345.62 81816.80 78886.74 67655.92 61617.26 71841.94 87119.52 79104.56 77447.97 72663.30 84013.14 86429.12 69981.08 65496.01 72557.59 54663.54
Ala-Leu-Thr-Ala
2196362.34 2440021.80 2515774.08 2713832.63 2304385.41 2465610.27 2503286.46 2583796.18 2170700.26 2206908.49 2514939.54 2816177.43 2519986.82 2442798.64 2523409.19 2696222.29 2487495.16 2207913.84 2332516.26 2366021.59 2078932.95
Ala-Pro
96043.10 66369.68 28106.82 22359.30 118491.30 138620.47 127658.07 157887.55 160862.79 99633.36 46459.07 34199.39 22323.96 113753.66 59397.62 40595.94 24302.43 14854.74 11922.33 14300.40 13582.46
Ala-Ser
380892.09 270223.78 275001.49 303862.95 367324.00 228797.33 291518.17 326338.30 299459.74 343599.89 191120.44 326133.35 249614.83 290889.89 291556.95 292835.64 240428.31 163044.86 199818.31 195579.40 132327.86
Ala-Ser-Ser
31275.00 43345.39 45726.57 35936.94 28054.64 45972.67 38828.44 46320.48 30213.38 34232.47 36286.18 52640.38 54308.34 48612.38 55397.94 50849.96 36011.20 75882.47 77271.86 70364.85 75573.86
Ala-Thr-Ala-Asp
72348.91 92567.00 88225.75 99778.20 81397.97 94407.20 102204.81 100713.62 78366.91 70346.40 78605.71 114991.86 94972.36 95396.53 101107.72 113146.30 93337.73 80110.57 77054.03 89221.01 62652.09
Ala-Thr-Ala-Ser
58461.41 66961.85 65061.34 71716.51 55115.78 68748.49 71561.49 67325.95 57633.48 56341.22 57918.24 82136.67 70149.71 59426.70 71360.05 76714.30 65158.34 56857.10 57505.27 57949.31 51421.33
Ala-Trp-Gly-Gly
318764.10 210508.54 137020.95 83157.74 348528.22 220136.57 159022.31 71449.48 47845.75 314110.90 160076.09 97061.33 52254.39 315617.59 174977.09 90480.00 56681.07 127298.75 121561.67 116545.97 103600.59
Ala-Val-Asp-Ser
66288.50 84333.13 84991.92 88964.76 66117.58 78265.14 89388.91 89276.94 72783.75 59842.53 75010.06 99204.63 72294.41 75534.14 84751.88 91063.41 70594.13 69117.47 70332.96 73482.83 53275.03
alpha-(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate ...
1171292.70 1363790.25 1291255.44 1691975.05 1097767.82 1423936.16 1355457.14 1583450.23 1260423.05 1078118.17 1249258.27 1601293.94 1494626.38 1188944.17 1307459.06 1665436.76 1533251.75 2346659.59 2165874.03 2475540.33 2099789.10
AMP
7103270.21 8076818.16 8110570.37 8351881.42 7635326.88 9135548.18 8522500.74 7742704.23 5134275.28 6942499.52 7604018.29 7965495.00 6126908.71 7666724.84 8343527.07 8812981.69 6203387.28 18349249.91 18313249.60 17479413.76 15526598.19
Anthranilate
491756.04 386680.61 587562.25 685961.09 548071.87 387253.98 670888.76 533349.20 472107.16 534680.55 513981.57 532713.63 592878.64 602115.34 390269.08 571553.98 521150.05 1709283.07 1714956.70 1608881.13 1493502.85
Arg-Asp-Asp-Gly
107246.62 155824.15 149242.45 163833.83 106224.67 154431.85 157811.61 158041.64 97508.24 103157.68 122093.91 171327.90 123554.49 135854.90 153335.75 175559.56 121383.01 146363.13 144686.93 156851.62 112541.40
Arsenobetaine
89576.20 87298.34 74939.92 89444.43 67813.74 75957.14 87603.26 85325.35 66355.90 71952.28 83772.28 93474.18 81994.55 100807.34 75826.51 87293.79 79753.12 129265.99 132330.01 133725.81 108435.86
Asn-Asn-Gly-His
162549.81 161309.16 176142.73 200144.16 169557.11 168140.17 179162.61 161470.98 140092.17 184251.38 154345.38 169267.94 168888.83 165619.09 170242.99 203467.78 168755.09 143036.83 141157.87 156680.03 147489.18
Asn-Asp
113811.98 139773.88 130873.57 144931.05 118450.20 136181.29 135261.32 142131.88 123734.62 103513.86 118427.89 153726.47 110885.45 125470.73 137007.80 148098.99 122613.71 102800.42 105099.05 108180.60 89303.66
Asn-Leu-Pro-Pro
48648.30 69506.14 27565.59 - 53217.84 88564.92 81195.34 93986.87 101190.45 54666.40 64012.17 25725.24 - 58314.47 69537.35 26115.83 - - - - -
Asn-Pro
1289622.83 1558570.37 1474734.74 1683316.15 1424537.36 1673978.35 1772735.83 1581382.24 1201691.98 1276112.66 1470050.77 1788062.21 1491394.16 1437771.87 1698085.78 1650385.83 1524235.80 1187581.97 1159991.77 1340648.97 1079320.95
Asn-Thr-Asn-Asn
169148.06 187989.50 194352.50 208999.57 174904.96 191080.93 205784.20 188345.19 164632.68 152071.84 170872.99 197503.49 177613.27 177572.63 183138.28 205298.08 157622.35 127502.32 133690.62 145761.66 115341.36
Asparaginyl-Hydroxyproline
60543.80 60807.49 62278.64 68894.44 52662.00 68283.07 74882.26 69958.05 52835.35 52456.82 54964.30 73038.27 67767.78 64131.17 66408.02 76934.83 58150.87 74245.51 84427.99 86973.13 75391.39
Asp-Arg
67362.25 79689.14 81197.53 94942.60 72208.79 77110.02 78805.60 83437.45 66678.93 59204.15 77261.67 91608.85 80602.34 79094.90 78111.37 92192.93 79991.71 66271.82 68903.71 69535.09 56092.04
Asp-Asp
247860.27 344666.17 332440.19 361260.33 229857.91 363038.61 381872.71 406135.29 300105.19 235818.49 293371.36 383910.15 308671.38 280915.72 361653.50 391219.46 305467.62 260672.89 262422.16 291294.68 201047.07
Asp-Gly-Arg
175723.06 167758.84 163248.01 177251.19 168834.42 171479.46 169566.61 161922.10 141702.68 163738.12 166243.60 175084.03 161609.40 179992.58 176656.36 191424.42 155823.44 123280.78 125678.01 127594.02 106751.78
Asp-Leu-Gln-Pro
97059.99 106864.08 116235.60 130982.73 102901.40 118197.47 119705.63 128318.30 101067.15 100664.96 113063.19 131578.94 119235.23 116806.89 107982.79 126355.49 109306.12 110011.00 113286.73 125595.72 103768.04
Asp-Leu-Lys-Asp
130435.56 149360.39 132366.66 155974.25 144481.78 138249.64 147836.02 154812.44 115875.05 137155.68 133593.69 150174.37 127344.58 133452.21 141344.77 165864.74 141710.40 134454.78 139781.16 141547.68 121278.94
Asp-Leu-Lys-Lys
134466.26 182102.14 182782.25 221662.11 136700.99 182705.08 205673.42 197119.42 123082.82 125052.52 152593.74 218077.89 172800.07 166864.13 191319.94 212671.77 150471.81 225763.91 206433.79 230358.96 179666.14
Asp-Ser
146094.81 185762.31 179815.26 201893.36 157335.70 184708.74 187721.76 199473.61 162880.08 141798.40 151807.20 192253.71 165727.03 172817.57 188636.46 216806.78 178297.30 152343.32 153362.89 151258.93 132653.60
Asp-Val-Gly-Ser
49062.39 65060.57 57972.55 71385.86 52649.28 64512.92 65135.10 70233.93 55089.05 51457.34 57949.27 64308.41 54089.77 69968.65 63437.32 69198.81 60609.88 50705.39 53530.84 53861.52 45119.25
Benzene-1,2,4-triol
793595.99 595138.92 504047.00 616327.07 752926.47 556619.46 531011.24 648289.88 650392.40 797087.27 522648.48 673587.09 657760.60 868455.12 553191.36 649130.29 619245.97 166538.50 132965.64 280411.67 133937.07
beta-Citryl-L-glutamic acid
337524.53 836062.01 773706.43 916085.10 355858.71 896786.98 880164.27 939782.98 472155.22 355393.68 581122.25 963832.52 591981.31 497821.79 852911.66 989492.67 575978.60 1015956.17 1033009.46 1172120.00 770291.24
Betaine
58408789.38 67878853.17 67108747.13 73276802.91 56901939.17 76693772.60 72583346.05 68144461.33 48205461.42 57594044.72 61562485.22 72084113.47 63653863.56 69071380.01 70586070.42 76949798.64 59100156.68 79193504.09 81113929.62 90198511.06 78138829.55
Biotin
45915.77 54027.48 44014.05 58900.51 53652.16 45259.63 57560.89 60966.01 61789.00 49258.50 48817.27 65251.68 55731.50 53259.39 51448.27 58361.01 57193.22 59200.20 62874.91 57836.92 58084.25
Biotin amide
338938.67 353497.81 376484.17 399130.19 388489.09 350642.50 388540.50 350931.55 365694.98 321528.92 363939.70 475132.00 377572.57 372627.59 426244.60 442356.18 392082.55 405792.19 388672.67 374332.27 338815.11
Bis(2-ethylhexyl)phthalate
1646497.87 1357506.15 1449745.93 1018658.67 1489012.64 1148886.90 1214856.16 1017079.24 1182710.64 1690355.98 1140857.68 1027917.43 1098819.73 2632783.93 1224029.00 1158829.05 1201507.60 1796592.33 1841353.02 1720543.67 2054738.56
Bisacurone epoxide
389643.32 170941.18 269058.03 214705.25 350383.17 237143.71 219480.64 195258.38 291528.14 357664.72 406127.05 204766.50 318289.32 350062.35 193143.78 221241.85 250200.83 264212.79 297972.78 235439.93 280264.85
Camptothecin
336604.89 388567.15 345744.77 399556.37 330111.12 383457.46 385776.10 402937.36 326917.59 299777.53 344585.08 435168.46 362429.62 324774.46 374183.08 427385.36 368382.48 386535.87 390916.40 401861.28 313112.13
CDP-choline
261220.79 332709.15 324730.40 436862.50 247831.00 320470.50 337143.15 356991.11 293562.30 242213.01 264610.23 416653.19 339606.07 306661.95 325753.99 388536.07 371127.69 201326.44 192251.08 211882.41 166123.59
CDP-ribitol
44412.51 62363.25 67339.29 69519.54 46708.91 65756.30 65241.30 63436.14 49981.03 44555.70 51956.83 66353.29 50304.12 55203.62 61013.45 64475.38 49278.71 54738.65 56411.98 55125.50 37936.12
Cer(d40:2)
367547.36 284683.50 292110.87 279665.01 500117.29 317905.00 195491.30 273376.75 329456.49 458105.12 292137.08 228457.76 333171.69 422331.79 256664.20 234138.88 295052.82 269304.63 261471.73 220737.03 372944.48
Cerulenin
815647.52 878361.35 742584.71 896352.49 944370.55 764344.60 905125.95 759843.86 868493.46 795936.80 875996.86 831359.70 889873.30 875423.19 855912.88 805440.52 891972.37 1041174.51 1064959.19 1043808.58 907262.92
Chelilutine
89779.53 88629.86 92730.12 110243.30 93486.33 125952.97 109446.03 85323.97 95273.65 80873.49 87810.54 180959.28 97939.03 86966.95 94545.54 151070.24 112049.95 100024.25 107565.25 90065.12 84045.63
Chelirubine
29493.53 33571.01 34605.85 47571.97 23934.04 30816.90 42733.29 50432.74 43612.91 16071.03 38875.14 66338.61 46635.91 32447.40 37197.17 46787.80 58099.34 55487.19 60329.53 53077.30 50477.42
Cholesta-5,7-dien-3beta-ol
33196.63 51094.96 50668.72 85446.30 39346.57 74747.95 100751.90 76668.07 66623.16 40340.37 77857.90 98289.21 68718.65 35949.55 75900.02 134428.83 76160.08 70194.59 77123.31 63771.60 52093.74
Choline
8040881.20 10380296.45 10232513.31 12469308.63 8447251.20 9666787.28 11332520.84 11584553.18 10287219.84 7928425.84 9746497.01 12890665.55 11736887.41 8983413.77 10640921.53 12565168.15 11511841.08 12349660.88 12131055.26 12791479.26 11020208.77
Choline phosphate
3333750.31 4832624.83 7740512.74 15345941.75 3052899.63 4577711.34 4572795.26 4889648.85 4176355.03 3173668.10 4931099.17 10970176.07 13975524.64 3868573.04 5773526.58 9638259.56 11406833.01 2066324.93 1806902.52 2342014.01 1699955.48
Choline sulfate
49715.77 62013.26 54101.92 72343.60 50060.43 60155.88 60375.43 65027.22 48390.68 44322.55 53411.32 69370.44 59975.71 55543.12 57435.15 63044.43 59793.28 75668.16 75472.64 75808.32 57994.15
cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene
1660395.43 1825155.47 1866101.29 2371301.58 1743406.27 2015541.85 2201512.18 2090036.12 1653811.15 1616717.84 1768048.11 2167216.68 1772455.39 1897948.97 1986613.23 2312790.63 1921046.59 2980256.46 2932062.77 2868463.44 2642801.39
CMP
37200.73 45420.05 53747.26 90119.28 34309.80 36879.17 37433.56 35644.45 40235.68 32581.03 44453.45 74196.50 84114.78 37415.35 43589.67 70034.59 77365.38 48279.33 40412.42 50009.01 38252.04
CMP-N-trimethyl-2-aminoethylphosphonate
3616303.85 4284757.54 3985284.23 4248150.65 3490558.56 4123816.10 4402197.43 4296470.89 3573110.54 3432583.68 3589167.77 4474370.64 3956566.02 4025492.33 4155277.34 4455977.63 3905719.21 4123546.91 3717395.86 4035357.91 3483958.22
Cohibin C
278771.83 245141.67 261959.59 210129.10 271468.39 233325.45 237632.58 257231.03 338947.24 287712.85 266627.40 163864.13 261851.37 221290.35 229280.37 155191.31 248742.65 87626.65 116187.62 95346.56 98437.53
Corydaline
2266895.07 3471781.89 3623123.41 4181448.45 2452602.69 3338026.90 4118433.45 4388419.01 3996246.29 2524231.82 3549360.11 4428570.17 4056590.95 2405144.50 3594411.51 4687573.75 4054735.39 1747367.10 1744944.14 2021288.66 1622703.12
Creatine
149690606.88 231820248.32 212492495.80 241667493.18 200719075.60 252701947.20 235386382.00 237134044.10 169986535.05 190042428.12 226465317.28 264172012.93 204360359.43 221167744.35 218043299.90 265478679.72 198858361.85 434544038.70 390082742.35 424810916.80 367526342.88
Creatinine
395338.57 216626.72 146850.56 141275.10 424637.71 210589.33 167336.08 166910.73 141100.01 396594.00 143285.13 175673.64 169060.34 427598.12 188525.83 165436.76 152858.50 317410.01 324971.99 334001.90 313739.56
Crotanecine
72803.99 92146.31 82576.41 93904.04 78848.80 89708.70 104828.30 92309.88 82099.34 81467.85 99874.07 99906.49 96664.11 82960.25 96433.36 100544.86 86447.27 47050.79 47178.27 48884.68 43517.08
Crotonoyl-CoA
153230.01 198039.03 181146.28 193424.00 149616.65 230630.39 206436.32 186529.92 149777.75 131065.50 200174.94 221438.78 176699.32 178380.70 251478.31 224099.25 157446.64 46250.55 - 80474.85 -
CTAB
470038.89 150725.25 215441.73 154026.98 234433.17 156390.51 117780.68 151698.90 169855.05 263319.32 150627.40 117890.34 175007.15 208677.82 167795.34 98982.69 136933.53 55960.92 58631.75 63322.16 66756.81
Cys-Gly-Pro
211408.10 103581.75 97661.85 98429.71 166987.19 125638.69 92629.63 84980.44 93176.12 126568.26 110697.50 113993.40 102743.05 252482.14 177160.68 113400.51 99632.66 64293.71 84701.37 55698.78 57853.52
Cysteinyl-Hydroxyproline
35782.67 47892.43 48882.92 63567.61 38273.50 43447.12 53105.47 53297.43 48840.16 33678.71 57830.44 61811.10 56461.85 39387.24 53076.13 61306.45 63833.22 98692.81 97929.54 105034.06 90892.62
Damascenine
139601.50 163861.85 246107.81 201679.72 166300.53 142595.83 249645.22 227519.85 224916.72 159893.20 270663.12 182681.52 176898.44 140872.73 249523.40 197038.20 231395.10 223409.75 226942.97 216899.70 322316.45
deacetylcolchicine
193679.94 190280.50 193786.74 202921.05 178797.22 182782.29 203301.54 182956.51 178425.01 188379.70 217201.00 199126.25 198112.51 205829.68 201705.57 211743.94 178358.81 139222.34 132360.23 126205.08 124883.77
Decanoyl-CoA
1130717.83 1323736.61 1321523.55 1334142.24 1206242.04 1453131.67 1260970.86 1351991.65 1025906.97 1138177.37 1207254.00 1383028.40 1192158.90 1263669.48 1300078.92 1420130.91 1237506.68 1466227.51 1345759.49 1449340.72 1306669.11
Decitabine
39441.07 59043.25 56984.96 71263.92 45127.75 54546.50 63738.98 64360.29 54954.46 51193.41 50598.77 74652.37 58207.83 49747.33 60557.25 65764.60 64808.06 13573.88 16106.15 13830.16 12707.88
Deoxymannojirimycin
21910.01 20605.80 24952.39 23413.85 20817.49 28743.73 24576.45 18398.98 14756.44 20153.15 16935.90 19242.63 15854.15 17851.64 22069.41 23698.49 18103.69 71769.51 67287.24 72653.86 63984.86
D-Erythrose 4-phosphate
894787.84 1116761.45 1555101.14 1532240.96 866985.39 1128800.21 1434470.28 1291397.24 844220.22 713182.52 1245890.77 1355951.36 1105839.61 857140.43 1488134.45 1409634.05 1134458.68 1550771.17 1697186.27 1728279.88 1242253.90
D-Glucosamine
2163667.02 2270824.09 1544872.47 1318796.06 1030981.54 2132784.22 1745711.75 1586874.34 1042568.99 2033757.02 1504627.07 1335723.38 982603.80 2175173.45 1495212.08 1400628.84 1061716.16 1592342.77 1673753.05 1400541.00 1440807.20
dGMP
100852.26 153201.99 139941.42 150999.95 113602.80 161606.29 150058.97 150528.38 121451.58 114143.40 144860.74 174418.70 139944.55 248907.26 146935.98 151104.73 139817.58 211435.33 205259.20 234576.09 170146.41
Di(2-ethylhexyl) adipate
172530.33 97378.78 462261.52 69712.46 160191.72 233415.48 66918.82 122839.41 426993.06 151852.27 272496.72 44360.83 217942.28 - 156983.90 172632.92 242780.05 112365.33 362049.90 73859.08 212334.33
dibenzothiophene-5-oxide
144169.23 165635.21 149559.98 187182.39 154928.63 171693.89 182432.48 177438.08 131056.65 138767.03 149191.05 175509.31 146234.03 173283.67 181634.39 188697.76 157114.93 249397.33 257181.09 236260.05 207641.31
Dihydrobiopterin
33294030.21 35109363.90 34890477.60 42815964.86 36901760.44 33504602.54 40573695.16 43188710.45 42163505.35 35053056.66 37934615.70 42880439.95 41045102.98 35800082.30 38564627.96 44405439.97 44862612.32 16900655.32 14732869.95 16012846.57 14836206.66
DL-Methionine sulfone
12138.72 12076.01 16394.03 14923.91 22120.81 11655.21 11062.94 9093.39 - 22469.58 10380.42 17335.37 - 12189.93 15599.03 12036.05 - 46847.12 51274.61 46815.33 39947.44
D-myo-Inositol 1,2-cyclic phosphate
943623.65 1133448.52 824491.31 774549.42 879640.14 1124486.01 875159.14 637486.09 621058.12 742320.15 696392.04 989587.69 696179.23 1138489.60 1038202.93 732062.77 563475.80 3870739.00 3491320.37 3775198.73 3236863.53
Docosa-4-7-10-13-16-pentaenoylcarnitine
100813.11 70413.16 85729.79 74923.63 80995.78 58018.92 89162.05 57195.92 139979.05 144090.87 114195.97 55878.29 125594.63 115903.67 62003.17 70146.42 111194.37 519218.72 463800.86 408601.67 681187.73
D-O-Phosphoserine
46960.15 108933.00 106346.01 130754.98 48235.98 113154.21 127157.74 129337.76 90885.92 51328.32 96604.48 131810.00 118879.11 58318.05 105418.85 137569.66 115035.24 90959.07 92953.08 107403.95 87461.46
EPC(d33:1)
119611.31 114597.85 116393.17 125426.61 136163.68 121422.21 159518.13 124549.18 186858.36 131242.17 151657.25 148032.52 132653.47 216087.57 114760.63 155240.08 140460.83 384684.41 280013.33 232883.93 359725.44
Ergothioneine
37072691.09 41657637.64 39100251.28 48374098.76 37883682.97 43584756.31 46039082.22 43725369.09 40539462.28 35249038.28 38197496.09 46288018.62 41787010.33 38780245.90 42839520.34 46573716.37 41852969.22 46502164.31 46643526.70 51196205.72 41355949.06
Ethanolamine phosphate
158558.93 203082.03 246084.89 367001.91 156005.47 174347.51 195833.13 205369.93 227352.98 147867.46 187731.09 343417.87 387103.42 148385.52 209479.48 301082.78 362739.03 47209.68 46069.07 38708.85 33176.43
[FA (5:2)] 2,4-pentadienoic acid
459557.25 357172.03 360914.59 269046.65 456848.23 419829.80 400754.72 248786.46 186470.54 337560.97 349497.36 270441.96 205620.03 348719.32 357716.28 288433.80 211909.57 428616.72 439622.72 420712.31 374639.76
FAD
117831.18 150364.32 161284.94 174313.63 125032.36 175050.78 168197.47 193835.76 154755.20 129387.45 156351.12 200596.34 165552.98 158323.11 159538.49 195526.17 167535.34 134079.15 143256.12 146177.77 138073.67
[FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid
270277.64 301376.81 247581.24 309230.70 271675.14 260427.60 314060.39 291205.39 243125.66 285707.75 273626.47 322479.34 273633.84 267507.21 273170.12 321862.08 286697.65 1057476.03 1143744.66 1079020.04 918969.11
Formyl-N-acetyl-5-methoxykynurenamine
130324.07 116792.84 80300.44 90788.40 170056.06 104069.18 126648.01 78720.60 76679.39 143775.27 124680.32 103788.94 65590.09 73244.74 119793.74 92554.50 76241.47 562965.34 552788.79 583774.61 412863.71
Furfural
53033.92 80184.59 106393.80 128100.02 50137.40 92217.58 106479.72 97640.18 62938.46 55493.54 76432.16 119857.58 85756.51 61561.79 115808.18 130928.94 87792.54 348590.73 362517.06 355290.02 278662.97
gamma-Glutamyl-beta-cyanoalanine
435254.48 485352.26 442613.82 534222.93 421079.37 492684.29 487976.24 496746.90 462460.13 388157.46 454630.25 524246.44 489731.53 434791.50 481257.49 526626.75 509229.25 237930.79 218652.64 249876.55 202501.28
gamma-Glutamyl-Se-methylselenocysteine
214243.79 193302.32 155559.89 154522.47 189477.53 184664.36 134748.07 168193.83 163904.93 202554.48 127516.85 146273.84 176567.22 205237.46 133124.14 154653.24 176648.07 309287.01 261553.41 234309.92 274486.67
gamma-L-Glutamyl-L-cysteinyl-beta-alanine
76084.81 102984.82 104015.05 116803.64 81392.15 105281.49 109663.16 107672.30 80607.65 84062.63 88022.09 111760.51 95219.93 87794.89 113781.98 111421.85 98805.16 134324.44 144371.01 140396.14 124680.63
gamma-thiomethyl glutamate
260528.72 296794.11 261841.84 300765.84 266650.48 315568.27 294082.14 294923.39 238759.26 291240.79 269459.91 346157.31 254717.70 318504.86 288016.30 317672.89 275985.68 138876.67 59917.68 76291.80 94868.83
Ganglioside GA1 (d18:1/24:0)
328016.31 271187.29 333282.69 140957.31 287817.53 247935.58 186345.74 318433.45 482828.76 326744.94 197939.50 252601.37 284968.69 302018.82 413090.81 181863.61 263665.54 237964.09 233301.78 316035.93 334517.37
GDP
613551.10 675510.53 662676.37 729679.26 420228.19 689729.15 671516.68 654438.05 557390.17 576660.44 671521.17 740839.06 578507.60 651471.88 703630.60 675348.79 615153.68 545645.11 539772.51 550660.07 529708.14
Ginkgotoxin
129056.59 142573.31 173789.71 166516.27 146282.30 137415.06 167210.20 177846.03 132624.62 124915.81 139706.19 177908.51 183858.78 116762.44 184336.27 157925.15 129522.29 136056.87 154325.28 166674.73 118487.09
Glu-Ala-Gly
106024.99 111451.92 87466.26 86130.56 94954.03 104920.15 104041.32 115123.79 99453.22 94948.00 82073.56 91821.56 57830.12 110103.78 109936.01 95022.75 76779.58 30650.65 36186.73 57461.42 29718.97
Glu-Ala-Ser
360883.20 445307.75 441751.80 438876.26 362798.56 498748.01 518871.05 534896.28 465668.27 318066.52 399019.42 545324.70 554472.37 421201.92 472396.66 483402.23 513109.26 169873.93 184419.41 212509.02 179856.26
Glucosylgalactosylhydroxylysine
91898.73 105047.86 105197.39 122325.91 87564.92 112358.00 120139.80 128912.82 85512.87 87881.24 100887.62 133231.82 110153.65 100803.94 108727.96 119349.58 98997.60 93080.05 86805.16 100560.64 77567.85
Glu-Leu
685231.41 799040.69 870127.64 941684.73 665210.31 824686.59 899929.84 916026.31 772616.86 677704.56 872624.76 927087.30 841543.56 767733.00 916691.65 967814.44 853597.52 501575.22 486848.65 476487.74 481288.84
Glu-Met-Ser
1522550.56 1791130.46 1771898.55 2242216.08 1650754.96 1939536.58 1914239.38 2131638.04 1884632.78 1550390.57 1832163.67 2211706.34 2147430.41 1675472.56 1979863.05 2154714.99 2089659.88 1177606.55 1088169.70 1164581.77 1034093.08
Glu-Met-Thr
126474.64 57989.00 84555.98 91353.28 105649.73 57450.37 71892.84 75280.56 51332.49 113323.44 66350.50 91882.93 71367.41 107623.61 78348.07 85262.29 66173.67 55544.40 32408.60 53370.38 37788.23
Glu-Pro
110713.50 96855.09 97216.23 149167.52 106745.10 156021.43 177202.62 205999.75 194861.25 114554.41 101164.18 144831.10 102894.06 149840.55 135211.66 156146.89 107587.18 77083.70 41298.04 77477.85 74628.48
Glutathione
209988773.45 239079603.60 219075700.68 253909625.32 180049985.08 242485256.88 233724903.80 244090952.25 213374171.18 208610621.72 216187881.93 255266856.53 232408981.75 177748871.20 235158547.28 259307179.47 227545627.07 230080771.45 222043787.93 230771276.22 201810402.93
Glutathione disulfide
11316506.00 12163205.65 11780549.05 16395674.46 10031135.19 13232898.17 13687672.48 15192861.18 14379954.14 9522744.34 12586099.36 18082771.05 14557601.32 15983111.30 13218748.49 17301738.00 15074783.97 15972367.65 15335983.08 18131308.41 12771481.59
Glu-Thr
1035570.17 1362806.52 1156937.89 1175703.98 1073897.83 1464143.44 1223645.21 1197111.84 995486.97 1020905.54 1158420.69 1133547.93 1054586.92 1187487.27 1252906.20 1186445.17 971474.62 663023.33 625098.50 698589.22 556174.54
Glycerophosphoglycerol
693344.95 846139.33 802591.13 898335.75 720918.78 883033.38 931048.30 915500.94 670920.98 651858.07 760822.33 1000001.27 735465.54 803197.80 895694.35 1007772.52 775061.54 50923.23 50050.16 56296.05 42021.34
GMP
158556.90 155012.78 139591.27 143026.03 166924.47 183718.72 154413.70 137795.71 94752.54 152910.54 137439.84 139969.37 104529.67 159802.25 158073.96 137777.45 104110.84 113310.77 115777.98 105922.89 96723.72
GTP
1041951.32 2132449.57 1871070.12 2335681.85 1118828.37 2280470.69 2290723.59 2429452.15 1826436.25 1138513.65 1717958.07 2617083.70 1701898.27 1426654.71 2095403.31 2608284.52 1934625.14 1023744.04 1050068.70 1185830.43 909562.67
Guanidinoacetate
39717.66 31397.82 23006.18 25652.85 40425.72 30468.90 26226.61 29313.83 17428.20 27051.24 40142.08 27090.59 20257.98 19497.40 32063.20 31289.05 16350.60 139785.42 139851.77 133040.73 123516.97
Guanine
279692.31 321423.38 348538.18 558017.38 316446.77 347129.62 462118.05 618083.16 667096.26 291159.48 357921.46 576897.73 601331.94 311316.10 384280.61 605471.45 592100.41 284379.26 263767.90 262944.59 252623.58
Heptadecanoylcarnitine
707605.44 639057.35 641937.63 620086.93 988882.77 562109.32 670161.45 603605.38 1442641.68 1098571.31 958282.09 726699.29 888492.80 971766.53 626794.99 669904.63 861614.52 3478844.57 2760626.44 1932563.76 4723324.60
Hercynine
2439255.52 1431148.40 1592096.33 2084735.19 1707714.15 1491183.12 1613105.10 2077306.46 2169584.94 1554810.34 1495556.12 1736961.07 2276863.60 2147526.04 1782525.87 1769012.16 2008929.92 1310405.24 1704278.35 1244712.50 1124814.19
Hexadecasphinganine
162305.13 70102.76 86468.02 46335.55 270601.38 54212.11 57346.74 58482.24 234352.87 269878.69 147444.38 53222.24 117797.05 205888.26 68004.81 56048.45 130229.89 126992.53 110242.07 88211.18 178416.87
Hexadeceylamin
851432.64 499970.53 562625.56 480771.08 813718.34 474768.85 596812.83 592719.20 994677.63 944812.00 623188.34 437833.35 602132.31 646846.71 509405.96 465587.50 654532.71 225887.03 231373.15 269195.01 198345.55
Hexanoylcarnitine
53061.23 34022.53 37634.74 44252.31 37978.33 34666.24 45141.38 53105.93 36679.91 53835.52 37228.71 46916.43 100744.69 40538.26 47432.85 58786.16 46990.24 460344.73 446791.02 448604.87 409678.21
Homostachydrine
108681.28 118119.02 107371.03 128456.83 131975.72 118301.12 125792.69 124989.29 107207.42 92825.23 101511.57 115067.78 143136.75 123930.24 123998.16 107734.71 95098.40 202372.10 189493.06 207433.57 188519.87
Hydroxybutyrylcarnitine
200699.14 211968.28 221256.63 243287.00 235333.14 212625.69 213809.46 246873.59 194613.57 202377.13 204738.40 240852.30 216180.20 230264.40 231539.03 255299.51 218388.95 402461.84 401136.85 404886.74 364390.80
Hydroxyhexanoycarnitine
54199.21 59309.98 47349.77 61783.72 54400.82 53599.38 61356.89 55709.36 47983.92 54775.09 49254.00 56849.19 53916.61 51072.62 56888.05 50633.19 51857.04 78490.88 69163.32 73748.61 68656.95
Hypaphorine
6489957.81 7268406.75 6535735.06 7476386.26 6701393.49 6788906.57 7272305.27 7154786.57 6799868.24 6501585.96 7260514.71 7665361.40 7269886.21 6563062.59 7465548.68 7346381.05 7441567.05 12681879.72 11297990.50 12149317.71 10918930.14
Hypoxanthine
282480729.10 324072285.38 294601049.30 313086713.05 321825537.68 302189247.95 316641475.27 310537221.93 299664624.75 300867752.15 291079081.77 330712127.73 313238201.65 331943263.48 293566384.90 341655432.65 318097301.23 329055688.45 329214272.00 336491451.62 335148459.02
IDP
124663.71 222117.93 243137.39 250252.56 137598.97 267003.16 244104.18 227028.05 136312.99 132577.07 203389.63 244959.26 166691.17 173306.27 249705.74 251006.61 159518.90 209184.23 194780.48 230688.49 197097.85
Imidazole-4-acetate
85883.77 44919.31 17996.74 - 79668.36 56952.47 18591.12 19699.47 - 80963.60 20449.36 - 13470.59 91578.07 26739.33 22578.28 - - 10285.71 19895.68 14620.05
Indole
128788.66 158219.88 143659.22 164558.56 148096.19 164338.11 166935.41 179030.54 148555.72 139841.14 136088.32 190433.74 153113.04 143133.27 164038.18 181053.97 161381.67 148962.01 152272.42 162092.37 153793.33
Indoleacrylicacid
962003.96 1049646.00 896489.14 1032107.24 943933.53 917053.68 1068850.56 993277.68 914607.44 907534.65 1047795.83 1083905.50 1006462.13 912975.72 1053481.28 1062763.73 1065742.46 1780188.31 1566257.26 1758303.95 1528244.19
Inosine
425604.39 444546.00 461987.36 481223.79 544540.14 545591.07 581887.15 534355.40 418590.30 413562.73 416882.94 552193.82 431907.83 529656.08 490818.43 607730.99 449371.51 753344.48 911326.97 750431.31 784294.01
Isobutyryl-L-carnitine
297333.33 351366.60 329235.15 338375.55 316305.31 339346.25 373595.53 328792.48 300579.95 280709.37 301917.45 382858.58 321608.06 355637.83 336810.44 362450.70 310943.55 705377.46 655647.75 670452.28 655307.20
Kievitone hydrate
1722714.90 2108305.38 2083898.16 2429730.94 1929923.41 2215404.03 2354077.46 2431385.77 2183793.71 1822153.02 2077544.90 2547901.84 2634516.25 2067513.80 2196887.75 2579122.50 2368076.56 1160299.26 1092771.31 1158300.37 1007258.14
Lactose
57730.78 60553.43 59990.16 66966.77 50487.59 58100.02 69074.84 67300.46 56235.15 53739.73 59643.04 69886.13 60805.16 62049.95 61374.34 69368.28 64582.87 61881.85 58430.88 62012.07 58488.89
Lactosylceramide(d18
103208.15 85299.00 96152.58 68655.74 65742.32 50549.24 67562.41 80543.13 58488.11 82328.16 75197.34 59804.60 100574.52 72787.80 52826.59 61382.39 70002.93 68678.30 108675.53 80142.52 60613.79
L-Alanine
2499860.24 2900177.90 2244048.34 2190772.51 2700435.71 3057974.79 2882669.73 3000095.60 2659597.05 2481867.52 2349688.75 2340295.14 2204581.77 2985520.55 2553878.77 2420098.49 2450210.29 2546176.67 2377301.57 2452849.57 2263547.54
L-Arginine
25940411.87 29578642.54 28757943.59 34067082.66 24528860.16 28531371.25 32157679.55 32343590.74 27399343.01 23968201.68 26368054.68 34805058.90 30483808.22 26788455.79 29995558.27 35062410.28 29793151.03 22493567.80 20171693.18 22269734.04 18765200.43
L-Asparagine
20348336.21 22853007.84 22066843.14 24912472.13 20644956.70 22059143.73 23119253.48 22833978.46 19127582.02 19718061.23 21151856.78 25784801.27 22551525.04 22156338.95 21817678.64 25738988.87 22844037.09 18505838.31 17771548.07 17316321.17 15927825.40
L-Carnitine
5622491.54 7069684.19 6252812.52 6674097.99 5840936.00 6749522.96 6724888.26 6136647.66 4482800.32 5575765.09 5545454.04 6782817.69 5271486.69 6605632.06 6593641.33 6456910.13 4936227.77 26601645.79 25414793.34 27562121.84 22165555.11
L-Citrulline
3819055.26 4645406.04 4252494.41 4777507.24 3799545.43 4541792.99 4697120.86 4677345.43 3559028.69 3730821.95 4084051.25 5199861.56 4164178.69 4334215.85 4692826.57 5183340.27 3873920.93 9954105.85 9279438.88 10204264.64 8536302.43
Leu-Ala
2892405.51 3805630.28 3504896.77 4114083.35 3030367.04 3689535.08 4068726.87 3692525.69 2958250.38 2842355.98 3089680.69 4185597.27 3289244.00 3425062.31 3935035.84 4133899.41 3181078.75 3974781.84 4204884.39 4891169.03 3908538.42
Leu-Asp
417774.60 531154.45 505193.41 566772.65 421136.63 580578.44 576222.11 535359.26 429193.61 409056.03 502533.98 571842.38 468832.99 491046.55 524876.36 571371.44 474202.80 350860.34 310353.66 343964.52 286403.07
Leu-Lys-Pro
1973809.25 2337414.55 2318869.05 2671492.72 2024510.15 2418403.89 2549441.96 2568395.66 2018440.50 1920159.21 2064660.84 2698809.19 2277145.26 2253850.02 2380648.73 2686848.08 2195747.36 1951102.91 2019083.32 2125515.73 1697003.63
Leu-Pro
1960357.48 2454003.26 2350499.89 2704028.40 1987907.15 2450302.65 2566349.01 2575819.54 2120359.18 1966815.41 2273420.63 2920219.81 2446026.53 2193585.52 2456954.20 2887932.55 2398827.09 2314983.63 2362771.55 2345680.18 2042567.04
Leu-Ser
40160.10 51845.61 48213.25 49863.27 36594.79 44642.85 54290.44 55326.33 37416.12 38988.34 39370.94 60928.23 47556.52 37594.60 55193.51 44211.83 47059.28 62972.51 71299.18 73340.83 59602.69
L-Glutamate 5-semialdehyde
38698363.97 47128518.99 44486214.11 50189909.34 38757715.26 49742318.34 50778805.19 51680565.08 42852666.15 28875625.06 42576235.54 55650021.45 45424611.81 42253176.87 48936678.00 50183101.14 45665762.84 40940356.39 46635403.07 45088321.69 39264398.23
L-Glutamine
130351710.03 169793121.75 160377171.50 177050156.30 147975235.72 164910111.97 168660285.50 160196168.70 138042576.95 138398725.90 158141193.25 170239299.68 156686227.03 151966762.70 172877123.70 193719839.78 153192083.40 111042686.03 98384620.48 106948851.06 105313673.02
L-Histidine
34827068.13 43709789.11 38635235.45 42535796.03 37789594.14 43411730.61 47699724.30 55290343.54 46960123.78 36874608.02 43503288.09 49015391.59 44440904.78 41227286.96 43731839.53 51596868.23 45422369.65 33047025.00 30550250.04 31897964.76 28586679.13
L-Homocitrulline
83340.81 85229.32 100037.33 94944.51 64770.35 99555.79 83117.46 81686.22 71689.47 67007.17 91900.48 140369.87 70764.75 75803.09 88950.33 105244.76 67195.81 203589.05 214321.53 226049.67 208447.93
L-Isoleucine
42714732.30 48339874.39 45891246.39 51283898.51 44983052.85 45067630.91 49311433.83 49509450.74 45129755.77 43032183.51 45107214.22 53708241.30 47523492.65 47008103.13 49387488.60 52985896.79 49303008.29 52347349.77 50187270.12 54001840.07 50650101.94
L-Leucine
41244182.21 47017227.27 44440472.45 50336857.23 42694030.49 43600881.23 50828820.82 47348880.94 42390878.12 41221790.61 42419259.74 53899677.28 46484733.36 46047131.51 46456641.41 49093271.47 47776166.43 49067587.02 48977558.29 48535172.52 46047049.68
L-Lysine
3736891.54 4647003.09 4325488.13 5390427.37 3582507.71 4437205.00 4958206.39 5792119.69 5059367.84 3744498.35 4054106.13 5641184.59 4835839.65 4174891.10 4711593.39 5729416.38 4800038.70 3353412.08 3180398.52 3500501.54 2874276.92
L-Methionine
18321057.76 19949207.90 19791368.41 23660184.05 14715580.80 21108443.07 22257946.32 20868601.98 18156309.07 17708633.62 19919370.91 23130473.71 20072734.48 20671736.98 20781181.28 22384649.05 19838232.89 22165702.15 21832679.02 23006880.49 22040696.75
L-Methionine S-oxide
346827.90 402271.68 451477.72 519393.44 347910.20 460699.04 526231.88 490918.47 464496.98 345161.80 395124.20 511207.83 453647.48 466090.20 474342.62 513978.45 444314.25 447865.96 517618.90 497419.90 395423.84
L-Ornithine
10433635.39 12090940.62 11290867.20 14282415.76 10121554.20 12117848.92 13140078.11 14122050.39 11718340.46 10211603.40 11095017.72 14392611.51 13229718.90 11570477.83 12482760.75 14668138.54 12776274.96 9340509.40 8808562.48 9425455.01 7901135.95
Lotaustralin
2671313.09 2792730.72 2705431.76 3324671.52 2751285.30 2863389.89 3092631.37 3123658.95 2853806.40 2546433.32 2766002.62 3276609.59 3111220.54 3009247.73 2959147.25 3345531.99 3043815.94 3267033.69 3109562.56 3313698.89 2680669.86
L-Phenylalanine
17620704.27 18291873.13 17186619.91 17923148.28 18634532.57 17502914.10 18142043.27 18371944.23 17358047.25 17576673.64 16855848.38 18868342.69 17986063.88 19389451.17 17384069.97 18821375.92 17474093.77 21360450.65 20975005.50 20364774.52 22081584.98
L-Pipecolate
2253830.08 1655168.13 903490.17 392811.88 2465766.45 1560531.27 1017754.89 483271.15 495842.73 2170134.01 923338.35 423280.72 195688.74 2442085.72 942373.02 416561.41 197373.03 37407.93 37281.51 39292.35 33467.12
L-Proline
42986699.75 51647403.28 46865790.60 53832203.22 44837233.70 51066799.06 56177210.70 58121325.48 50676165.74 42019549.09 48777241.52 57054452.30 50772561.56 48059054.23 56128665.00 58283707.62 51643368.52 52475496.54 54614348.99 61110558.00 49725257.07
L-Serine
6582928.31 9990893.42 9832074.36 10342213.56 8720664.72 10516172.78 9980143.58 10943038.05 9106037.27 8609838.09 9479564.85 10879855.08 9453921.84 9689621.52 10104252.08 10839562.12 9179432.53 8245693.96 7903297.43 8108525.34 7280409.36
L-Threonine
6943854.66 7798208.69 6750824.89 7423134.92 6581146.62 7834384.96 7682517.74 8237802.14 7534900.81 6605103.30 6760046.70 8293358.32 6760738.14 7579689.48 7596112.02 7902360.96 7170229.85 8236773.65 8695526.11 8663265.77 7772264.11
L-Tryptophan
7418345.86 8959258.29 8425197.61 9555563.89 6044909.95 8676045.07 9544413.89 9112746.00 8152069.23 7520741.61 8323369.61 9888537.23 8583835.64 8175864.37 8660994.83 9967180.73 8672953.16 8639362.37 8510849.34 8665725.19 8266246.33
L-Tyrosine
34787826.79 38793452.30 36494225.02 40339111.31 32910973.70 38384602.84 39278131.22 39328255.41 35120281.41 31661961.03 36020000.72 43399899.27 36912009.97 34842844.93 37462014.26 42531403.38 37864900.56 38066773.42 35509127.98 37017257.21 34198942.42
L-Valine
13641540.50 14667496.93 13512434.15 16369485.59 13141916.66 15131049.29 16523087.62 15947591.70 14989784.98 12987625.06 14243734.13 17578506.21 14914380.92 20155450.41 14837099.43 17856915.10 15843847.60 15174179.63 16350871.67 15782471.01 14217732.33
Lycomarasmine B
62025.88 70569.14 69821.13 77075.78 63940.79 70696.03 78059.34 77132.77 57976.10 51666.30 64618.00 79393.01 68912.34 72223.00 67717.39 74850.93 63329.68 68122.49 61326.55 63442.90 50909.42
Lys-Asp
320884.31 379214.11 345599.79 395303.93 320524.11 373022.44 407052.27 370657.05 292468.30 301024.04 310798.06 401731.06 346039.64 361052.43 360617.23 415598.07 344321.09 303638.08 302981.97 314905.51 250517.90
[LysoPC(14:0)] 1-tetradecanoyl-sn-glycero-3-phosphocholine
109368.73 135687.92 127246.52 123679.35 109051.24 119839.42 138412.50 122852.47 157808.55 127480.61 134764.53 138429.98 126495.72 104963.34 106028.16 147066.66 144842.05 189332.56 185732.34 177450.39 187843.97
LysoPC(16:0)
10480907.19 11570013.94 10999370.93 10319596.64 11932167.53 11284265.30 12750071.12 10930765.58 14852510.19 12371305.95 13428143.69 12275130.29 11309045.89 15960928.13 11383092.26 13164258.23 12296716.51 20499670.36 21441515.37 15261614.58 24923080.15
LysoPC(16:1)
187823.33 172611.45 175985.38 153480.83 190682.29 165439.27 210551.96 172884.92 217320.46 213487.36 213423.78 207270.57 184234.49 205471.61 171370.93 207716.62 193832.10 264191.57 275171.99 222133.07 348098.15
[LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocholine
563806.71 584875.07 596514.89 550394.00 625085.29 581463.79 654725.59 556806.15 793578.79 634686.01 616110.72 731771.43 615834.23 809055.03 536812.25 667977.46 658188.21 1034773.61 1037914.52 822025.65 1351808.05
LysoPC(18:0)
19500028.86 21407031.36 19578962.48 22440951.05 26883132.84 23393360.92 23036295.45 21773523.13 34334512.25 26572189.00 26254583.31 25877233.15 23702911.79 36226059.08 20750598.50 23816763.67 23516982.12 43806433.44 37829169.80 31465572.47 52821170.49
LysoPC(18:1)
2219780.48 2456397.22 2492888.70 2268564.21 2593873.75 2309637.86 2808830.86 2226637.30 3264708.88 2864864.50 2919678.38 2633119.30 2536400.24 3529108.93 2338111.99 2733949.81 2493419.90 4444694.82 4677858.15 3311490.67 5443026.42
LysoPC(20:0)
292432.32 332396.14 337904.85 302764.59 353401.58 312577.83 395264.92 324981.78 466099.00 375686.95 376231.79 334897.84 342540.80 458742.34 289998.28 343225.13 343542.98 584042.48 606583.31 473475.62 764208.21
LysoPC(20:4)
191196.14 201009.74 208316.31 187127.57 199274.66 169181.40 234054.33 161677.46 264640.27 230007.88 215875.52 224725.30 194281.31 149882.20 195734.56 247433.50 209013.63 315147.60 302276.11 297134.50 341350.17
LysoPC(O-16:1)
698076.08 793904.51 770290.46 721705.77 775412.92 692875.85 890544.64 682652.96 1063220.30 895277.59 921795.42 899172.57 771232.88 1060617.42 732187.25 905873.53 789068.89 1399016.54 1383269.70 1076019.03 1636187.16
LysoPC(O-18:0)
428854.28 360651.54 417790.25 430163.49 510963.79 414110.84 386526.15 391781.71 646653.28 516187.43 520317.90 443729.03 432924.86 581469.75 395348.28 439160.05 455248.29 798793.52 656565.67 513226.47 914749.38
LysoPE(18:0)
651654.67 623633.26 655107.12 653139.60 708115.90 621724.22 729372.92 630492.47 729856.15 694504.52 731192.52 771461.90 658138.62 847330.47 619760.51 769538.48 595525.66 1027922.83 1035368.24 827560.91 1237458.93
LysoPE(18:1)
728230.77 774715.03 842297.88 754490.83 816056.45 725189.45 900033.47 837900.74 1025753.84 846473.01 910324.20 884609.15 840321.68 1101161.46 752072.35 897735.95 919138.91 1326642.11 1155274.59 974170.64 1565648.04
LysoPE(20:0)
1769637.95 1860626.93 1800008.44 1726647.99 2003807.25 1746102.52 2018787.58 1354982.62 2636482.18 2133708.63 2222514.50 2089584.86 1728877.99 2764804.40 1715194.64 2052223.24 1929092.19 3580398.38 3224224.00 2488880.84 3924952.24
LysoPE(20:1)
158031.07 132688.80 160511.87 154530.30 154112.09 135142.32 179042.04 140977.56 174019.68 184547.15 157532.20 196721.07 157768.58 195758.61 123653.24 185027.52 185829.98 227199.73 201422.43 169616.39 240835.98
LysoPE(20:4)
445233.18 418534.76 481690.87 442954.33 446847.92 341343.92 494306.48 447248.81 537406.53 495929.31 516533.10 518257.13 466629.28 518802.13 382020.82 529259.35 517139.41 634738.46 673336.36 423787.02 638401.25
LysoPE(22:0)
165384.81 155792.75 156260.10 172077.77 213817.12 194418.26 176704.13 180557.18 266491.94 236195.90 188331.06 211638.87 184079.14 265863.44 202343.86 209616.27 221566.83 331923.96 323187.42 247090.01 391156.08
LysoPE(P-20:0)
223997.14 244545.93 266826.77 230035.59 280510.87 209146.11 246476.23 243836.43 369693.78 289716.87 274392.64 251533.63 273655.97 380101.56 227274.46 281808.01 270341.94 386110.24 349865.69 288053.90 479307.79
Lys-Ser
74073.28 95230.67 82353.46 88012.42 81249.04 86081.67 90059.41 87901.54 80866.95 70966.09 79615.92 96242.54 87316.67 81107.57 86558.14 99076.69 78098.86 58813.77 53823.04 54692.75 49314.28
Lys-Thr-Ser
352607.17 391248.08 352486.38 459404.66 363076.46 402775.85 408230.33 427386.41 368886.31 341836.60 365626.53 435278.71 415434.85 359832.80 410632.97 450602.59 399301.29 326467.93 318421.35 317138.64 286772.07
Lys-Thr-Thr
218353.58 221716.13 222216.72 259160.65 209252.48 246518.91 233623.60 263865.29 210670.02 204572.73 227313.88 273126.06 240098.78 222339.91 211138.94 252777.57 239783.37 176395.85 171494.20 177132.09 161117.80
Lys-Thr-Val
94067.87 107444.56 95712.93 106505.38 106758.41 98483.62 107135.15 105862.73 104068.31 89941.80 109420.53 122317.87 104224.62 97306.86 100935.45 121299.06 104385.32 74806.10 67663.61 71785.40 66104.34
Lys-Val
357769.68 479720.36 487272.72 594088.85 369929.07 511051.70 557695.68 535114.75 348535.65 359489.95 411155.33 639378.97 460210.19 473291.87 560966.64 587177.58 429561.29 417493.29 388212.95 445344.68 372463.22
Maleamate
806799.30 661994.13 704453.99 850806.07 794522.94 921921.46 892184.19 993418.79 701277.20 751449.50 850330.92 842472.49 675570.01 859081.09 898688.42 1062810.67 810707.00 1024730.65 922556.64 870416.11 781096.21
MES
89488.93 96378.27 80903.27 92781.80 84184.55 88778.48 101090.44 97198.66 83355.08 93046.95 77089.57 95511.56 84862.34 96140.80 79503.86 103624.27 78428.02 81704.55 79880.18 84624.88 76445.47
Met-Ala-Gly
368347.28 403243.45 397189.06 487527.44 380680.73 406461.98 412331.74 474556.66 406870.50 341819.04 367695.98 478068.19 460773.07 421035.74 415784.18 507896.90 435185.44 399677.32 453380.22 497630.13 334592.30
Methacholine
11347732.99 15060757.36 13482109.83 15673853.26 11613654.18 14044813.00 14487150.34 14581050.65 11596169.80 11575106.33 12151447.50 15712896.01 13230718.10 13883348.97 14126449.34 15457305.60 12591130.74 12776398.19 12914944.18 14271150.45 11757317.23
methiin
482458.28 464038.42 477119.79 562927.57 496601.17 499562.82 590611.70 619742.97 545346.71 416079.66 510981.26 609423.57 635386.73 458550.79 502373.95 554668.99 609464.20 229606.10 201504.75 224992.19 197002.70
Methocarbamol
183279.53 232325.99 238520.75 324985.49 169188.73 223689.16 315018.36 307532.90 204353.77 176899.48 263461.82 274364.68 279405.29 181989.54 263057.09 275845.53 226799.99 249218.09 257230.85 227144.76 200145.88
Methyl 2-diazoacetamidohexonate
1985693.95 2345844.63 2070474.44 2471564.64 2216160.51 2061403.41 2289286.31 2299885.67 2041410.81 2002469.74 2086007.05 2543990.35 2401614.43 2261220.58 2040127.67 2603063.62 2211708.94 2071010.13 2370751.16 2173575.20 1747409.52
Met-Ser
225232.37 225452.81 182330.60 255430.94 191574.06 218965.75 221478.10 301224.89 226265.26 243947.51 236819.43 255440.82 273638.82 229727.53 266081.58 279236.51 213962.39 142434.02 136829.44 108374.97 106807.83
Montecristin
119927.17 97301.69 108932.11 94590.14 85743.30 96606.31 96975.92 106604.35 139458.64 117497.70 113487.42 73080.00 105121.18 98623.89 108973.10 78754.62 110495.15 65397.46 73691.16 57210.16 67605.29
MOPS
110236.55 109840.57 109522.93 122005.75 107716.91 122428.10 118161.47 117890.02 102225.96 116486.60 110399.40 112402.98 105145.83 114875.86 111826.76 118405.95 101328.18 113746.23 123494.08 113063.71 119112.60
Muramic acid
1771600.58 2055670.77 2113983.88 2368197.21 1791354.14 2337898.76 2153442.11 2393078.62 1954417.02 1769401.60 1941258.91 2553274.28 2223582.26 1949408.99 2233846.45 2322394.44 2214320.31 1710708.61 1690121.51 1793216.75 1407126.88
N2-Acetyl-L-aminoadipate
1170034.35 1494817.42 1418711.96 1650965.18 1233202.52 1505125.31 1644604.68 1582671.73 1139950.33 1097477.95 1266557.57 1639025.28 1366657.91 1390923.21 1526352.54 1681127.23 1339800.81 1958566.95 1980385.79 2097148.70 1732036.59
N2-Acetyl-L-aminoadipyl-delta-phosphate
135834.90 209426.50 200748.96 225072.13 129493.04 209419.65 210995.59 219222.93 167601.51 136649.22 187807.51 221927.09 166270.82 148577.28 206748.40 232523.53 181493.17 265744.07 288081.44 288096.11 233668.37
N2-(D-1-Carboxyethyl)-L-arginine
193966.76 217827.97 209817.54 249202.40 189795.31 236993.72 235155.38 227468.76 201008.64 178321.20 205633.52 250594.15 240071.47 222880.14 235591.14 276112.90 217519.16 139001.25 130640.81 142919.60 107212.05
N2-(D-1-Carboxyethyl)-L-lysine
292753.78 327716.45 286673.90 350714.11 278877.71 307119.97 330086.86 365217.22 298133.88 257484.06 309140.22 363027.05 322846.46 305711.24 335405.44 359618.19 341554.50 232978.63 227679.44 231643.79 190669.12
N2-Succinyl-L-ornithine
39790.74 50394.38 51692.09 62009.03 43605.00 56544.58 58652.69 56814.00 52677.78 38142.87 47736.69 66564.60 52456.91 43117.54 61516.48 67926.90 52225.43 97766.23 85505.99 102805.83 86575.38
N4-Acetylaminobutanal
58081.64 74014.77 73043.32 60417.09 79451.90 59189.59 84534.38 113533.94 58550.16 61770.11 55833.76 84098.43 82606.37 86400.62 55112.01 95464.73 63941.51 62979.47 67675.84 51314.93 69512.61
N5-acetyl-N5-hydroxy-L-ornithine
673173.96 795023.35 718984.35 881061.84 674031.40 806159.35 801287.86 809319.36 738672.99 617341.40 720703.66 905017.94 808045.23 704635.15 797223.35 902070.76 818330.73 361582.26 402307.91 443700.12 354523.98
N-(5-Methyl-3-oxohexyl)alanine
69475.48 77941.39 71889.74 78072.38 53508.80 81989.10 68684.27 93652.41 75168.44 59922.16 75994.52 88424.27 65677.20 75888.62 92504.43 82777.73 80228.35 88704.35 93351.82 87840.92 92778.77
N6-(1,2-Dicarboxyethyl)-AMP
21021.60 26861.96 27922.37 27822.27 24741.35 35902.36 36176.06 35841.15 13704.03 21692.04 24665.93 28024.40 20558.37 24706.37 30310.76 34056.88 18279.72 71290.87 86626.34 74727.81 51408.27
N6-Acetyl-N6-hydroxy-L-lysine
705974.74 794983.92 756864.80 944805.26 708057.77 814509.22 841026.84 864066.57 794894.60 688760.37 793586.65 923909.91 960159.70 759643.22 883449.24 922495.39 906497.07 360556.69 353892.07 386306.51 314698.49
N6,N6,N6-Trimethyl-L-lysine
2349597.25 2859458.31 2625678.18 3089883.67 2365212.58 2781622.66 2901716.06 2836819.03 2359830.89 2221696.46 2494236.75 3102660.38 2824902.25 2544451.89 2782462.78 3153197.71 2705132.22 2456968.41 2623970.79 2724220.27 2094424.70
N-Acetyl-beta-D-glucosaminylamine
87985.17 107120.10 98285.24 125363.17 81731.88 101203.72 109715.92 132241.34 100565.86 78811.12 100933.36 114599.76 117675.15 110163.35 104586.59 133294.95 108121.61 45342.41 43895.49 47902.72 36217.72
N-Acetylcadaverine
107344.63 147360.92 84051.91 75305.80 106684.49 124167.32 82492.22 141460.98 96042.34 69080.41 84603.53 126775.51 84633.11 108617.52 105460.02 112941.37 105390.48 135482.17 120603.64 122071.40 106175.33
N-Acetyl-D-mannosamine
276417.61 391954.28 388056.23 448407.95 328970.15 377479.37 435924.10 402418.70 289646.76 276265.55 327544.43 459451.20 332745.62 334752.90 397767.11 459846.37 334134.13 498683.77 506809.13 518158.86 445105.40
N-Acetyllactosamine
561200.59 689040.57 623939.56 738518.24 583986.15 683208.73 682660.59 695901.38 554599.07 578793.16 608468.49 751056.15 648292.88 634694.69 681106.36 754961.54 646524.94 557623.60 578455.19 636568.78 503723.10
N-Acetyl-L-leucine
1076122.50 1255636.39 1208446.36 1362148.31 1080907.86 1208471.54 1326064.39 1303938.14 1044907.49 1059500.45 1108931.37 1378182.00 1208690.62 1223262.92 1275381.90 1323299.55 1173155.51 1193499.24 1257086.25 1358639.27 1098492.13
N-Acetylputrescine
974101.92 1112486.77 1122588.85 1312962.52 991024.23 975988.70 1187189.68 1265308.16 1069104.21 906633.97 1082955.19 1333119.92 1289950.97 1004023.70 1188138.51 1385923.36 1237641.33 1056942.22 1048743.55 1104660.79 982763.00
NAD+
8867714.29 11402973.27 10922892.08 12830685.26 10183967.42 11023511.74 11072037.03 12388687.33 11351790.71 10095023.54 10252559.14 13050532.72 11730923.47 12322113.42 10963613.73 13064674.96 11832571.84 4306248.74 3863479.46 4141689.03 3789020.36
NADH
1489876.14 2578380.12 2466879.46 2406779.70 1666374.17 3029850.05 2486630.49 1937875.55 1251448.45 1483951.10 2102894.70 1945179.45 1636838.51 1919469.49 2397054.02 2176489.31 1856394.22 4565975.62 4780476.03 4645444.66 3940742.44
NADP+
2552201.77 3559831.15 3635857.34 4081852.17 2517878.37 3592975.45 3886484.84 3954131.13 2815032.24 2560609.25 3464505.17 4183452.73 3233467.35 2882742.29 3811952.38 3959223.73 3348780.00 3115004.01 3218118.08 3411072.88 2754495.37
NADPH
276692.05 708224.29 773029.05 1005798.79 368401.58 954453.84 905446.17 949646.62 611011.64 321810.28 638994.46 887018.33 641360.89 399188.10 816519.18 909594.13 730063.97 885147.93 926055.70 1054023.46 763355.59
N(alpha)-Benzyloxycarbonyl-L-leucine
43706.24 47118.54 44297.75 47404.90 48857.71 45277.06 52396.03 47002.93 43705.48 41831.53 47304.46 52449.98 46064.59 44491.62 50530.98 55514.10 51092.27 78692.33 77150.52 75860.13 72147.54
N-Carbamyl-L-glutamate
281840.50 310658.56 303459.55 370665.35 288122.64 327654.29 335467.18 340008.66 280989.66 272006.26 316442.39 356248.84 304776.91 308526.85 327039.14 350644.40 314036.35 349268.81 330568.38 323842.40 273995.86
N-dimethylethanolamine
43353.83 46183.52 61588.23 62109.42 56747.00 61780.47 62091.26 61669.55 40917.42 50091.78 45922.33 76880.11 65468.50 68492.75 51066.57 59799.23 50609.65 42732.75 41123.87 38651.89 41004.42
Nebrosteroid M
597017.66 397791.68 474667.39 280961.42 543000.50 311436.99 307606.52 300849.99 434625.77 615863.44 366129.53 264934.66 390446.42 365123.75 336175.65 295514.94 400856.51 231250.17 237537.98 234620.42 284619.14
Ne,Ne dimethyllysine
68262.25 79760.32 74938.32 86087.79 65251.62 81097.31 83445.46 84875.88 64296.13 68919.78 70072.42 90785.35 69224.08 74248.00 79800.90 89465.24 63023.00 115090.42 125712.69 124167.97 96559.37
N-Ethylmaleimide
163616.42 210553.24 198992.74 234789.90 168926.36 216968.47 228692.83 232520.76 164006.22 154364.45 175706.52 241319.55 178549.49 189366.53 218587.37 234907.38 182831.23 255410.42 287149.48 291255.75 241760.32
Neuraminic acid
111149.40 134449.80 133157.50 151781.66 112512.57 146578.30 147733.90 138736.29 111948.39 102761.25 132009.25 159025.07 138943.84 118212.87 136258.01 150346.32 139575.77 128150.15 124582.57 133951.81 107710.53
N-Formyl-L-methionine
16453.68 15416.15 7999.46 11830.77 16748.65 9681.78 7384.37 10037.94 18794.27 15701.96 8057.80 11453.15 24539.90 17549.57 8858.19 9664.14 18250.38 69347.35 67258.37 69949.96 63502.20
N-Gluconyl ethanolamine
93243.01 79329.51 92220.53 82630.24 86233.71 78234.52 91146.47 87589.26 70384.59 70740.39 87300.46 86300.09 82508.38 87421.95 77170.73 90065.30 71472.24 65238.57 49335.72 82899.89 67303.89
N-Gluconyl ethanolamine phosphate
159331.64 295340.16 282203.63 329877.06 180299.57 292521.93 286156.13 278599.12 186152.07 170996.45 245945.70 306916.12 261189.79 326169.41 299050.05 323460.89 242445.90 329137.81 385878.19 427275.12 262060.00
N-hydroxyisoleucine
87819.84 89866.86 79670.61 99742.76 90430.48 92738.09 93363.94 91674.85 76820.24 84062.47 83594.01 97889.87 90401.16 88880.21 90877.59 96475.37 93120.43 144352.93 146417.00 138520.67 119961.87
Nicotinamide
1408751.41 1877461.47 1648276.37 2009078.17 1699516.45 1776331.56 2313762.57 2182860.43 2093968.44 1324595.35 1668090.10 2539012.80 2028235.10 2348396.24 2044021.93 2766382.36 2392149.41 1811241.06 2357629.23 1640210.95 1610202.34
Nicotinamide D-ribonucleotide
967660.95 1121381.89 1163409.46 1434359.25 986720.74 1148669.74 1182969.67 1343439.19 1176775.01 953213.54 1080074.66 1422878.99 1290040.38 1065352.52 1212490.81 1451705.87 1299158.58 948328.66 939901.65 998485.95 828716.87
N-(L-Arginino)succinate
693874.30 739347.13 705359.88 837630.61 709503.92 774367.76 752764.57 825984.43 656211.48 692073.40 651607.25 838662.08 695644.87 778992.93 752086.71 822093.79 672472.24 545471.81 574163.07 604399.85 462382.47
N-Lignoceroylsphingosine
314900.21 200199.17 234131.13 221991.68 325642.41 237560.74 196004.51 206397.14 222212.32 256636.51 204919.92 220730.63 234499.02 276153.69 237375.58 170975.08 195936.32 145374.30 189646.64 185570.53 183768.00
N,N-Dimethylglycine
352371.36 358882.12 332930.74 332357.67 398875.25 351658.31 390025.01 324083.61 291175.12 345009.79 351950.48 381820.16 326127.15 420529.92 356278.11 365855.35 319620.17 370084.13 390557.57 389976.81 354095.84
N-oleoyl tyrosine
92795.97 62411.88 51780.78 37298.09 167433.51 34830.24 56942.55 35580.96 180494.34 236733.16 75398.02 40130.54 59422.64 225746.43 57577.35 86931.34 122555.07 395690.19 338093.87 303294.08 565706.89
Norepinephrinesulfate
38440.38 60909.73 46868.90 59496.97 55550.38 59393.95 65346.98 65841.44 39040.69 40768.12 60722.02 61357.19 49403.42 44746.05 65193.36 66834.87 54501.38 278817.67 283423.45 285293.56 239674.16
N-Ribosylhistidine
82919.89 90266.17 87898.38 100492.68 87308.06 97674.28 91371.60 94725.88 72552.60 77194.07 89096.84 104288.31 88364.25 93073.99 91579.80 109254.63 92009.98 92128.70 95465.92 88675.65 94574.57
N-stearoyl tyrosine
194966.16 207947.47 256409.95 161036.42 314601.42 141072.34 236937.67 180817.88 272796.95 417398.39 214786.39 177365.60 202924.93 327020.76 210973.94 196611.42 191122.66 1537626.91 1040694.98 1052262.73 1779694.05
N-Sulfo-D-glucosamine
85436.14 85455.90 74866.81 74853.90 95103.20 78785.00 77570.49 71085.63 65494.38 83170.91 72307.41 72207.77 71792.92 89420.02 75160.06 73998.35 71944.23 47360.77 39911.46 42663.16 40961.02
O-9Z,12Z-Hexadecadienoyl-R-carnitine
760291.43 783594.72 861354.45 638628.06 1211589.77 627807.80 814218.40 696555.25 1515717.37 1489189.57 1108445.09 749263.23 959337.24 1052482.97 744204.67 742455.63 1006811.24 6073220.16 5116455.13 3791671.64 8138108.72
O-Acetylcarnitine
9357452.35 11142221.51 10125546.53 11161365.04 9549520.20 10159851.73 11122297.62 10796004.09 8150035.38 9104088.74 9716926.07 10765509.52 9603867.54 10750515.37 10543319.00 10918819.87 9313983.59 30783577.67 29638882.22 31262852.29 27639779.79
O-Acetyl-L-homoserine
47496.33 52827.85 54140.62 60114.94 46923.70 47292.43 64919.99 58518.95 61458.78 41882.18 59735.12 75585.59 65173.35 52904.78 53410.36 81724.41 67581.52 56262.07 57719.90 52012.15 50248.75
O-Acetylneuraminic acid
260643.92 269841.12 271234.65 333547.12 277129.10 324646.24 301514.99 355673.93 292795.99 246289.03 305518.70 335430.94 323610.75 289361.98 309225.67 361197.56 324802.29 307150.74 282026.84 309313.55 248557.84
Oleoylcarnitine
4103316.01 3877598.67 4298051.78 3130702.50 5570652.67 3164232.12 4328568.08 3660588.19 7946641.89 6954068.49 5187467.81 3807158.95 4915459.95 5545208.75 3796822.64 3890247.89 5218740.47 27076003.68 22741092.03 16662517.78 33405102.65
O-Palmitoyl-R-carnitine
2676177.19 2562133.66 2697284.64 2557017.68 3666797.47 2177375.20 2665302.05 2237366.02 5344199.60 4207993.70 3893378.57 2843365.64 3426148.78 3679910.83 2356318.73 2952761.68 3444429.29 22623558.11 20450623.08 13432759.20 28863775.83
Ophthalmicacid
60432.70 75792.99 77809.45 84503.88 64435.51 87038.11 86086.60 83525.21 58965.76 58776.07 70569.50 79576.45 67256.13 63877.53 82321.28 80614.47 69255.90 123217.28 108602.29 126799.70 104468.79
O-Propanoylcarnitine
1515892.89 1758049.48 1684591.46 1775135.31 1510468.30 1653073.28 1771007.54 1620928.73 1419924.86 1475624.64 1574258.24 1958379.91 1561281.42 1682626.04 1774182.38 2017111.53 1570362.50 5440592.23 5258147.12 5435652.34 5108484.27
Otonecine
359988.61 408255.34 382231.52 433667.87 390859.76 385316.25 407545.54 389730.21 346174.62 322939.83 346936.95 460589.62 395584.37 389015.77 392402.44 457185.32 382715.18 548374.92 581340.02 572497.84 518192.40
Ovothiol disulfide
112733.97 114806.11 106467.02 114458.16 108234.33 117745.43 115345.96 102879.55 107432.22 98796.45 106963.31 118987.82 107525.95 116455.58 110307.68 124437.57 101105.21 99227.87 98239.88 103308.80 87114.01
Pantothenate
389796.27 446105.80 421601.15 518845.75 436079.88 441165.02 487476.35 475491.50 511899.11 388947.29 472179.71 530023.06 512514.63 433525.67 501554.58 546085.46 532591.74 517548.49 504465.53 546234.23 493677.42
PC(14:1)
161906.59 190909.06 207709.51 195604.78 209578.30 189742.63 235593.70 189016.79 247609.29 181413.48 214533.95 244151.05 217920.98 226779.46 180389.33 246397.08 229966.96 326497.73 281235.25 244903.10 386598.61
PC(18:2)
743379.39 812884.84 837632.91 653256.93 844068.72 716827.69 979406.86 683515.63 1135122.70 825167.91 964001.59 825948.45 711471.18 872894.47 951227.14 827965.43 848612.47 1279601.58 1440027.75 962398.00 1492773.79
PC(30:0)
1322012.24 1064917.64 1260742.76 1081793.19 1440508.47 1277539.28 1002298.34 1182589.70 1123263.83 1248722.86 1159544.77 1116191.65 1289059.16 1037787.53 1090411.80 900179.99 1274989.74 1362225.23 1214504.40 1276990.30 1254803.03
PC(32:0)
8297201.74 6710550.16 7368466.43 7581717.79 8579467.79 8191508.54 5575356.07 8376727.06 7562267.23 7651681.50 7343057.14 6745406.83 9018998.70 6812542.54 6877953.21 5166756.19 7772376.84 6800843.52 6402936.42 6154220.82 5932101.18
PC(32:1)
3270529.76 2704218.89 3022400.99 2196179.79 3018023.94 2515252.95 2392381.10 2681897.12 2738659.80 3224886.60 2628616.03 1962610.94 2617943.85 2212700.18 2580998.72 1934058.08 2517549.47 2819267.94 2635143.38 2495981.25 2672359.29
PC(34:1)
53368438.81 41058504.65 51281220.94 37104588.36 46709101.85 41798527.65 37004065.20 42838992.66 44260491.72 52917141.58 43376607.09 31742535.23 49167823.13 38060787.51 43166567.16 30054616.43 43272222.72 38321519.73 35257472.80 34350411.95 39072418.66
PC(34:2)
41200137.09 32917295.33 41283114.91 27260242.50 32983136.35 32911914.40 31012899.79 33176386.86 34262946.12 42935283.50 33991835.47 24948777.54 38712033.97 29450716.91 34828375.93 25295001.83 34159786.02 41942278.53 38533865.27 37530470.32 43399330.12
PC(36:2)
20811832.20 17018901.64 19260096.18 13702199.41 18966987.93 14077281.54 13332663.44 16362893.23 15942326.06 22816808.00 17153049.82 12228366.07 19156298.60 15737276.56 17083241.36 10758052.26 16797803.37 14646808.69 14611936.35 14208217.18 15098009.66
PC(36:3)
3220893.40 2271203.39 2781896.09 1629176.39 3316410.69 1785735.09 1899424.95 1866278.20 3010133.50 2216671.94 2478661.57 1312515.77 2555559.69 2099348.44 2164862.03 1373883.81 2353019.16 2085034.26 2224228.01 1248013.05 3091497.20
PC(36:4)
13172505.31 10658138.43 12244022.52 8407227.30 11864711.42 9440641.45 9609868.12 9656439.29 10160142.53 13818475.09 11346272.49 7390557.68 10968381.31 8960043.81 10696730.37 7556417.93 9948743.60 14447187.80 14540823.22 13588600.60 15795898.45
PC(38:4)
8238186.87 5862175.77 7032215.10 4427067.50 6905048.35 5574834.08 4831713.48 5596032.32 5996135.83 8468616.94 6284208.74 4124754.06 6469035.55 5374082.78 6066409.56 3801808.03 5954433.63 5708003.10 5919048.31 5686936.77 6107701.35
PC(38:6)
5052571.69 3787427.58 4047452.52 2688826.94 4226584.46 3151925.32 3340167.87 3171107.85 3405486.96 5123274.03 4118531.64 2343435.56 3842113.85 3244719.65 3574507.01 2611914.26 3610061.64 6094905.43 5407439.08 5098635.48 5881450.90
PC(40:5)
1486488.09 1031213.83 1261143.80 826455.13 1289076.07 986093.82 846920.39 1023204.30 1127080.44 1562886.24 1117488.56 734196.52 1210956.58 984414.39 1024236.12 691940.17 1110483.38 632425.90 642745.70 623329.33 809281.76
PC(40:6)
2052562.31 1564101.29 1751282.22 1190994.19 1913448.11 1359393.21 1214824.77 1415333.08 1560793.66 2104731.45 1745450.31 1079613.41 1759741.43 1476323.37 1444134.43 982466.99 1683053.07 1457021.92 1419878.29 1376082.30 1577510.36
PC(40:7)
468779.32 333511.29 429967.44 241820.76 393788.51 305849.62 295638.01 284742.17 315395.23 450916.67 342621.34 242985.84 364332.79 315960.96 296716.86 210863.09 338174.41 408925.65 384658.30 380291.77 440142.38
PE(32:0)
291178.99 319173.14 270578.23 265631.86 302581.03 295509.28 246230.94 291075.86 293178.70 286369.02 290372.81 215828.22 310436.96 277964.94 268103.08 217690.28 293170.04 193657.12 212955.82 166572.10 185285.05
PE(32:1)
278002.06 255882.61 226192.85 203414.39 256916.97 223159.21 218761.73 210972.08 246226.86 252221.11 227947.13 181822.29 245278.71 241594.10 227544.25 177036.32 217048.43 168064.65 161609.95 160343.42 170947.95
PE(34:3)
194059.36 217901.07 152976.93 144995.11 178186.76 183395.13 174830.46 189752.72 176020.61 235335.93 195103.04 147193.84 177069.29 199054.48 167042.71 152347.03 158488.08 128407.62 107329.97 97227.03 115552.41
PE(36:0)
773131.69 620535.29 661748.80 488150.65 733595.32 604834.17 519722.54 654488.92 623607.37 671858.20 674041.49 489228.51 627956.06 636362.61 538954.33 400360.55 708451.44 492463.38 452402.73 423104.70 427690.97
PE(36:4)
2438443.44 1978347.27 2384397.09 1873948.31 2235176.57 1859815.59 1889518.84 1972722.63 1953344.51 2364041.65 1977477.70 1713468.04 1841333.65 2101036.63 2014338.41 1739118.05 1931947.20 1844579.31 1676557.59 1646897.10 1816574.63
PE(38:1)
1591763.42 1421769.00 1424429.82 1395220.59 1841564.48 1405668.59 1231219.45 1427756.94 1521940.54 2062628.39 1542441.84 1105016.16 1746398.41 1414615.96 1457819.51 1005442.90 1296768.01 964815.79 887662.20 870728.43 945317.15
PE(38:6)
1703835.29 1302043.96 1523052.22 1124920.95 1513452.50 1211598.15 1244870.75 1306395.61 1168307.22 1701128.12 1202759.89 1080330.77 1192067.07 1335692.00 1225766.07 1144536.56 1204447.01 1119191.25 1094063.22 1086364.60 1179427.67
PE(O-38:5)
3378558.70 2471663.29 2728392.15 2454575.25 3336890.85 2603594.88 2427881.21 2785105.85 2625359.49 3578977.62 2547697.98 2291153.19 2643285.41 2905906.25 2625256.12 2129708.36 2506501.35 2490930.15 1925977.21 2373346.07 2780032.03
PE(P-34:1)
483011.50 396041.30 529376.79 419037.26 518619.10 428755.39 337728.31 428558.37 430164.09 458585.07 445318.89 399615.56 449662.12 435549.67 397843.33 349556.05 493964.13 390000.00 330606.84 324665.97 370742.89
PE(P-36:2)
830067.41 555328.17 827213.32 671760.57 744425.91 634093.92 598008.57 612855.63 645400.08 712863.34 701878.33 524472.31 743710.15 664614.81 788909.33 628574.74 644790.24 297222.18 262353.23 269294.00 258407.33
PE(P-36:3)
626749.22 549441.25 612503.12 517594.15 535904.33 513223.75 506502.42 527955.04 551153.53 707396.01 536168.48 485983.68 564545.43 590003.11 557252.54 442740.71 520411.70 361098.87 325078.91 337254.63 372620.56
PE(P-36:4)
1256486.59 1134198.43 1336653.78 955854.76 1367196.98 1078976.92 1071451.77 1166813.38 1118924.27 1519737.43 1248106.43 959804.07 1087671.82 1271153.61 1121008.80 1005203.42 1100888.41 1184030.26 1026759.34 1021466.97 1144317.46
PE(P-38:5)
1925639.92 1725725.38 2060693.27 1478892.21 2052327.71 1647622.04 1573808.26 1785244.47 1444794.52 2496444.30 1702748.86 1463104.49 1640062.38 1836775.95 1702038.96 1471715.56 1603914.28 1583014.20 1401380.54 1452753.17 1635910.72
PE(P-38:6)
808829.33 668098.92 758235.20 551704.34 786165.56 587731.33 611306.58 663818.25 648347.01 827021.66 591083.90 534768.38 617324.78 676614.86 631678.68 582848.11 552092.45 564836.61 478142.84 548810.73 575943.66
PE(P-40:5)
1428877.29 1055694.31 1255475.86 1008371.33 1352842.54 1113470.29 879308.71 1264929.94 1112877.36 1392706.35 1009226.92 939879.24 1232112.68 1197787.94 1091547.42 874689.78 1123140.28 986312.40 1063790.74 983980.67 1138933.52
PE(P-40:6)
1507882.66 1044550.28 1137772.07 1054620.52 1424675.55 1138956.18 900514.42 1152563.66 1071892.73 1329381.65 975134.06 978413.52 1266349.13 1256417.93 1081260.43 845032.42 1106610.66 973313.92 917608.25 1031756.41 1207951.57
Phosphocreatine
194441.08 254915.64 229668.30 232662.54 196671.81 227994.20 243049.87 243824.05 188638.45 202871.16 213546.99 256395.17 186413.96 272153.08 250799.00 244323.30 199857.10 397973.52 408185.08 461564.00 346200.28
Proclavaminic acid
84427.03 83982.49 78236.33 42171.84 83865.75 65881.64 97621.89 36923.39 35000.65 82215.98 44291.29 54480.11 42928.04 90984.74 54080.11 37805.87 55801.14 96210.25 85180.78 101913.14 93127.13
Procollagen 5-(D-galactosyloxy)-L-lysine
53771.44 77374.11 80322.10 90706.59 60905.93 72809.94 76619.45 83589.35 66174.43 65026.70 66338.10 86459.63 76464.05 65147.11 85159.23 94957.80 75449.69 65665.02 59737.36 68994.31 48113.59
PS(34:0)
451252.02 382787.18 355577.81 458220.94 493263.54 436082.23 372655.03 412443.06 421602.12 367849.57 364577.60 386703.64 431204.54 385470.53 367023.65 382921.15 402277.95 324248.63 273873.93 285276.51 251125.53
PS(36:5)
66347.85 73599.16 72713.29 58646.05 69201.16 69392.31 82413.86 70892.71 70745.72 72858.35 72429.72 62236.01 70514.30 51313.81 61443.21 74673.00 68631.46 31718.64 29743.43 36091.62 46678.17
PS(40:5)
4971457.92 4190168.14 4237609.47 3839564.30 4758902.61 4255728.94 3462928.99 3949177.42 4483093.47 4442131.19 4364682.76 3289141.82 4478457.63 4073665.67 3924856.89 2978345.17 4084659.30 4197414.77 4415065.22 3741162.06 4466450.86
Pyridoxal
347985.13 369823.05 553360.95 869619.29 339073.90 321562.80 579683.70 755059.78 800158.42 292050.24 560679.17 820319.69 958571.89 281973.99 608549.25 853465.30 944611.01 520144.71 516816.82 508549.70 451344.53
Pyridoxine
4338668.69 7069213.25 5669436.11 5589572.90 6407419.33 6461661.30 6869791.67 5283348.04 3967839.95 5818547.45 6095658.21 5697331.83 4541155.16 6031091.20 6249827.64 5726499.75 4488637.95 5194708.81 4945435.63 5040617.03 4194247.97
Pyridoxine phosphate
731369.09 758184.46 682313.40 615659.74 748433.96 772947.47 711552.78 605444.84 478316.52 719633.20 676312.44 602334.13 505083.76 807349.09 699739.88 615887.72 509720.18 644422.18 655394.99 632082.79 562786.59
Quinoline
62627.78 66323.98 71151.42 75657.66 66773.43 67905.47 74196.92 70394.74 61834.67 61903.55 68722.71 81054.95 69633.26 61530.90 72412.91 80495.46 67196.01 66626.73 74103.04 70776.98 70091.00
(R)-2-Ethylmalate
293213.03 263932.54 186079.50 149632.86 213194.87 247506.67 208627.83 198361.50 137552.06 197426.98 182967.90 169967.29 128104.91 423453.54 189074.05 167661.72 143403.42 196739.87 218555.32 202737.48 171381.73
Ribitol
1011138.99 701952.32 388048.32 191184.42 960518.75 681216.23 412163.92 169751.94 95805.56 859197.38 414536.54 218422.60 135783.78 1006090.70 425904.55 196904.01 135165.86 342922.50 304567.44 352118.90 276010.08
(R)-S-Lactoylglutathione
121536.97 300709.28 335559.69 601823.68 195814.16 450257.35 393460.28 423932.63 406884.14 133898.64 405646.98 617361.97 583585.22 172492.90 399662.10 571822.62 611863.10 3287236.64 3168894.73 3187541.07 2648169.49
S-(2-Hydroxyethyl)glutathione
465533.76 467718.18 451083.68 547780.72 465604.67 524995.17 468452.67 503904.84 462995.31 424699.65 469330.98 502115.19 528290.27 444708.24 472114.18 527337.52 517599.07 294227.22 256466.69 264400.36 240018.41
S-Adenosyl-L-homocysteine
289959.58 252098.09 261220.22 292545.92 286612.39 253500.49 295139.59 250252.87 228753.21 268590.54 249517.89 294381.54 267283.95 308051.60 266805.69 326782.75 263798.88 185445.91 182794.17 178629.04 158845.09
S-Adenosyl-L-methionine
1270282.83 1494450.43 1553706.82 1892106.75 1220106.18 1533778.54 1574270.14 1483094.12 1113938.44 1215489.50 1383755.90 1858206.08 1526955.72 1431087.56 1608084.53 1841327.03 1514169.49 868769.37 867827.16 908163.88 775496.39
Sanguinarine
61408.20 62477.11 73642.94 86169.19 68900.72 69295.69 76745.57 78126.42 67624.71 58220.80 76510.11 86973.13 78792.89 74224.11 86188.02 89596.07 68785.05 68500.73 69583.06 74854.20 55376.01
S-Cysteinosuccinic acid
171415.59 235575.74 209109.60 252074.55 176247.58 246781.41 246736.79 251020.12 192078.35 184668.23 212543.67 276250.68 214715.27 210874.74 226090.15 276142.16 218208.06 232129.78 243817.68 265031.06 196111.13
Sesaminol glucosyl-(1->2)-[glucosyl-(1->6)]-glucoside
497053.63 362265.51 352187.84 413588.05 478686.89 402632.07 321934.31 450335.20 356194.84 331383.72 310663.81 380210.45 366585.40 272189.58 359924.64 375841.05 373823.16 535009.44 375902.90 462684.91 428806.50
S-glutathionyl-L-cysteine
449591.21 505171.09 427562.46 498986.84 568127.33 517810.07 837643.50 505630.34 512394.37 552328.84 444507.06 565743.34 420723.27 498031.38 567196.18 570148.08 398939.44 398158.44 338468.14 393721.64 324756.66
(S)-Lactate
129543.17 109963.10 101118.02 70403.73 143882.65 122870.76 104103.36 62414.77 32171.21 123636.97 88055.82 74953.12 41401.23 136841.11 103606.98 65490.55 58723.23 50597.35 50621.92 45371.97 41748.11
Slaframine
6817121.07 7343580.00 7023111.08 7699244.15 7011360.95 6743121.59 7616338.46 7507181.54 7149122.28 6749241.27 6562649.63 7940891.11 7696301.98 7193295.84 7473886.02 8135542.59 7121684.75 7702250.66 7496594.64 7752126.56 7174339.70
SM(d18:0/24:1(15Z))
12280199.29 6643471.17 9605845.87 5518543.31 10428672.86 6344950.82 4336124.44 5889835.03 9916665.89 10619067.37 6886726.41 5107550.92 8604871.29 8051624.41 6467632.71 3867115.63 6984936.31 6326529.32 7634263.68 6241131.01 9552522.06
SM(d18:1/24:1(15Z))
9941139.23 7008282.25 9837595.20 4780837.05 9736190.16 8194320.35 5670068.48 8957217.06 8610751.39 11606529.31 8999818.46 4382122.42 9269890.84 9091141.33 5551319.27 4755493.14 9488089.22 9210109.30 9574375.68 7810473.91 9608722.71
SM(d32:1)
2712401.27 2659020.39 2742946.45 3373619.58 3456858.50 2884639.98 3275259.28 3137516.05 4059653.83 3054928.98 3164265.81 3480251.43 3239474.82 4382647.95 2819720.72 3474113.32 3435403.91 5311034.24 4242788.94 3819132.77 6034296.42
SM(d32:2)
136922.46 129160.64 163893.75 150181.11 152734.47 128668.99 173717.91 147440.92 216852.35 155815.22 182019.98 149908.51 154777.17 181651.15 158222.61 190773.37 173196.13 365726.55 312884.17 239254.10 410210.67
SM(d33:1)
2216065.53 2105471.95 2116330.40 2708765.13 2772858.73 2416238.33 2326324.49 2478063.86 3299718.53 2273074.34 2456444.03 2709475.90 2669607.82 3168693.37 2114153.72 2760798.04 2738973.13 3108522.06 2282219.43 2099524.62 3013143.71
SM(d34:1)
20810386.50 19013479.95 18972848.76 25524720.72 27626967.37 23679683.11 20623333.60 23700045.57 28189498.49 19987771.30 22715076.45 23786035.27 25195533.83 30345626.87 20375314.73 23528934.71 25635748.66 27375495.53 25151245.93 24489710.71 32243633.76
SM(d34:2)
2711824.90 2756953.84 2962424.32 2830630.74 2967418.71 2484490.00 3204720.25 2752757.17 3803422.59 2833014.72 2810904.69 2842173.24 2805834.57 3574061.66 2621353.44 3395120.68 3097106.30 4078666.88 3002417.41 2630328.38 4363407.40
SM(d35:1)
706930.33 657991.99 611759.77 820991.80 950522.07 729830.39 695357.87 763711.57 896257.09 631137.39 744053.24 744687.44 788193.58 908866.35 557240.98 731511.52 804245.36 1069447.35 727716.22 700476.65 843589.53
SM(d36:1)
2477672.93 2210254.28 2303647.01 2614782.28 3049718.78 2553466.97 2035932.59 2520150.92 2924884.97 2522332.90 2545722.22 2319167.38 2788861.48 2959435.09 2247288.10 2081890.20 2643311.90 3500554.04 2746225.89 2497532.67 3367045.61
SM(d38:1)
788290.05 597583.89 704681.80 551714.11 793898.33 611337.42 423996.85 567865.87 667529.77 843706.60 637638.86 443890.08 695674.95 718093.89 522325.35 365155.31 629590.72 647760.53 583840.48 655609.53 752825.63
SM(d38:2)
330501.15 359491.98 380139.28 385656.09 367162.89 345753.54 316612.80 378990.86 413416.90 371369.14 335250.37 307202.91 325597.60 372916.81 325103.86 306742.01 368454.28 412471.89 356760.11 325097.27 474372.70
SM(d40:1)
4258310.92 1946792.06 3301037.03 1451920.22 3099509.98 1921101.49 1078034.64 1768010.27 3091758.74 3747229.08 2308188.41 1187279.46 2883036.31 2373594.59 1826417.36 678488.97 2101196.96 1526268.38 2134101.75 2491660.56 2690648.33
SM(d40:2)
1448441.06 1212820.70 1395074.95 1255652.95 1548862.46 1262372.41 1242600.11 1447884.49 1592214.02 1447970.13 1328562.82 1139864.54 1410966.94 1474054.35 1285899.29 1055215.95 1410351.40 1665308.15 1386795.26 1334424.05 1809093.51
SM(d41:1)
1129463.47 644065.92 728432.16 590372.10 1050589.27 683297.01 502641.66 668393.99 931302.35 1140377.93 712048.38 522533.66 841302.12 796178.43 597576.11 379394.79 729135.29 499470.49 795443.48 720111.42 1012757.08
SM(d41:2)
648742.65 487456.25 526133.16 495330.53 628383.21 478957.72 352368.82 530920.26 638960.08 658271.87 511663.82 428411.14 620340.40 555312.21 519979.69 384249.65 549498.85 624278.12 547893.12 552950.68 708143.10
SM(d42:3)
2298473.85 1943840.15 2340267.13 2047254.48 2276803.24 1941107.59 1598279.52 2081589.19 2280088.17 2360178.09 1990998.35 1688040.79 2169920.53 2099986.53 1966851.06 1472450.82 2256557.18 2450220.56 2156765.64 1956697.91 2677736.98
SM(d43:1)
714533.47 198723.73 405454.72 177176.06 476122.65 223753.67 89725.99 180461.24 483614.79 704769.72 361138.99 165344.02 413346.46 299068.69 283916.50 61351.46 334029.98 147726.62 255760.11 331972.67 333009.57
SM(d44:1)
532031.19 292765.79 409807.31 267200.37 490561.70 342543.94 212464.61 314892.47 448734.89 512334.72 291628.85 232280.41 367318.15 410891.85 301943.99 177615.21 305526.72 293052.80 343916.10 303219.89 398912.48
SM(d44:2)
667094.56 348705.02 461239.20 276269.46 653409.41 398778.28 228951.52 370682.79 537971.21 760023.77 413515.81 234993.90 514286.53 460838.74 366509.94 172695.95 429798.96 358021.41 433068.51 428335.91 513794.82
sn-glycero-3-Phosphocholine
7118515.75 8634055.02 8340743.98 9859678.26 6979044.85 8509312.94 9054876.12 10764120.53 8908726.87 6832099.47 8554795.04 10569473.67 10490082.24 7384399.28 9904986.17 11226810.32 9746847.26 5630911.41 5220513.41 5799456.76 4600597.32
sn-glycero-3-Phosphoethanolamine
673518.95 899212.97 955113.11 1030776.49 702876.84 835712.91 877569.15 980425.05 864902.39 641454.22 828813.60 1099408.70 968590.38 696943.72 865803.14 1059580.25 1007470.04 387964.12 366815.60 372902.61 328741.44
[SP (14:0)] 1-deoxy-tetradecasphinganine
83326.28 94207.70 89161.40 98446.58 87264.33 74889.51 125675.99 88180.55 88638.68 111168.39 90689.20 94205.94 76575.59 91565.67 86098.76 97042.14 103647.62 100645.67 100520.10 89549.65 118854.21
[SP (16:0)] N-(hexadecanoyl)-sphing-4-enine
873332.36 608541.38 540961.30 536422.76 1070311.90 589220.28 511138.69 547791.47 705847.74 907771.68 603103.57 458988.19 702563.63 600141.61 479808.57 444735.21 602870.11 502217.02 579389.70 462706.98 697396.07
[SP (17:0)] heptadecasphinganine
429634.29 286877.30 339595.05 200340.93 501486.78 297050.20 280184.20 236222.22 478317.67 464660.32 401275.89 228126.92 284466.56 425720.10 228064.69 208969.14 305671.75 329196.99 354720.90 316180.38 474496.24
[SP (24:0)] N-(15Z-tetracosenoyl)-sphing-4-enine
1632425.60 978837.45 1098101.27 942983.82 2491001.51 1220371.13 924521.66 999365.54 1308105.04 2169137.01 1154549.81 951441.73 1122928.92 1451387.46 1031338.54 921115.49 1047101.76 1071312.36 1099081.41 765820.45 1606456.94
[SP] Sphing-4-enine
427735.84 349296.73 422680.36 454951.20 392235.12 351754.40 378632.17 535714.04 749778.36 442104.82 462474.69 509691.65 722133.06 505651.05 402581.60 511108.81 735472.84 747479.39 641656.45 722676.09 730452.28
[SP] Sphinganine-1-phosphate
244995.45 193343.09 184287.32 263792.36 279200.68 249843.02 215647.46 236552.96 371967.07 226329.54 253553.25 281725.62 329439.61 249777.27 231891.30 260191.72 375931.21 439136.04 446412.65 404286.93 487716.92
[ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene
370350.26 320385.77 282591.43 256147.81 337087.15 285490.21 265723.79 258837.78 317535.04 353346.13 319894.56 182037.59 354231.37 221257.29 314506.59 185575.75 292097.52 75427.20 96931.83 75389.93 107302.39
Stearoylcarnitine
7767665.44 6187701.03 6943578.68 6134175.78 9889351.37 6004808.96 6739658.29 6485290.98 13265556.43 10197227.70 9398114.05 6659807.31 8762009.55 9799037.57 6116483.46 6696764.18 9036257.54 22649805.82 17275495.00 14081769.65 26390735.32
[ST hydroxy(3:2/3:0/3:0)] (5Z,7E)-(1R,2R,3R)-3-(hydroxy-prop...
142054.96 142277.43 161747.83 147218.89 150034.61 158474.52 171028.65 115512.83 145456.48 166289.41 142714.99 102917.24 138300.11 125081.16 133076.51 169298.72 164863.38 147830.33 133878.18 127277.45 187307.23
Sulfacetamide
31164.17 36349.29 45169.79 58316.27 30231.21 34527.36 44380.15 49685.39 44661.94 28391.45 45798.55 53115.29 50074.05 33668.64 47420.67 57300.29 50660.65 76734.80 65855.57 74643.03 71180.42
Tetradecanoylcarnitine
196328.85 170565.46 201331.22 181849.63 236480.60 155586.21 227620.55 164906.64 282772.62 252386.72 256917.42 210161.72 201651.31 213287.82 165432.49 198734.56 242431.95 1293465.10 1099696.43 903509.03 1557978.85
Tetrapentylammonium
355180.73 544871.78 265732.89 241141.87 399421.80 208772.88 469600.71 364244.54 346177.52 281774.09 450428.80 319263.10 269707.50 283820.44 265944.98 156511.09 250545.94 121583.81 117436.06 205647.67 180420.73
Thiamin
325568.80 340424.13 348315.06 371507.95 334034.61 340644.50 364883.83 362609.62 353965.14 302078.86 345925.23 406214.88 370300.78 325154.32 349451.81 403751.95 378371.16 166099.96 169344.66 171724.57 168170.27
Thiamin diphosphate
135087.09 150709.92 153904.95 187381.84 132301.86 174740.03 184937.80 187019.64 160297.34 119505.91 129991.87 187699.22 162292.31 185788.37 170013.69 186892.04 166864.00 140242.92 88784.90 98740.65 89351.29
Thr-Ala
50560.28 56989.33 46031.54 65744.23 49361.48 55107.32 60415.72 55356.15 54718.78 40619.11 58633.13 68124.37 52813.97 60456.26 54911.85 61341.89 60808.08 19914.01 27313.92 17153.30 15452.17
Thr-Ala-Ser
453523.48 439458.10 443062.92 422217.21 440743.99 443153.56 430250.98 426176.12 375903.46 419906.65 421864.06 423611.40 440996.68 475668.03 421286.70 429443.00 409075.53 388794.12 366702.15 348517.20 352245.06
Thr-Asp
117750.00 167739.56 144621.71 165516.30 113422.31 178121.98 157983.27 180262.92 144448.09 105660.10 131715.21 166715.84 133732.26 131148.41 164347.18 158725.25 130243.22 83398.76 81643.06 80988.19 66528.44
Thr-Thr-Asp
399964.34 453732.75 442466.36 481190.59 399511.94 458836.24 468470.84 511757.64 385069.08 376460.47 413629.71 488323.26 426267.85 415134.34 451097.62 522610.46 417117.34 434738.94 419991.80 441617.55 379213.17
Thr-Trp-Cys
87860.70 84718.13 87032.73 99702.36 75640.45 94302.61 94776.46 95928.94 77844.51 72884.06 87283.43 105119.19 89673.47 92688.59 91921.89 102197.81 90777.05 79287.65 76162.28 70756.72 62921.84
Tiglylcarnitine
54034.23 53589.78 55017.07 56256.05 54731.40 50266.18 53096.79 52683.22 55405.58 48128.56 51408.13 54262.49 51219.84 55612.03 52394.88 62698.57 51288.77 72166.83 68744.78 73062.26 70273.22
Tolylacetonitrile
118456.67 133988.25 110699.25 135350.37 114656.38 131033.87 142111.79 142850.92 126414.58 109927.42 130004.66 169095.14 122960.30 122750.15 132210.07 154407.03 135568.24 137400.59 125738.70 132657.85 119052.18
trans-Hexadec-2-enoylcarnitine
206535.18 155452.74 174060.32 147348.60 258295.99 167750.05 194669.91 160790.40 326925.33 306785.83 265430.48 172969.55 178717.50 243731.87 151881.75 191472.61 204768.90 1339067.65 1160950.41 871492.10 1608573.62
Triethanolamine
39715.95 31768.28 252307.41 27553.92 27338.43 23571.71 34150.86 29153.99 69444.75 33191.92 24428.24 32207.82 23006.18 34599.80 27762.00 52425.48 28930.86 23795.91 19969.36 19644.46 25472.41
Trp-Trp-Tyr-Tyr
2605707.69 2855155.70 2973685.77 3477884.55 3002791.74 2673472.53 3177600.45 3330428.94 3073518.48 2859894.10 2767175.72 3333456.21 3314479.70 2753438.72 2841584.58 3290784.87 3479556.44 1184350.84 1017438.50 1063456.71 876462.79
Tussilagine
128765.04 147672.08 190247.56 157712.73 150292.62 146226.07 165432.35 150103.98 114090.88 136926.34 153339.67 177106.45 202644.40 171295.12 188575.34 156414.23 149436.91 185445.54 174188.04 212170.72 169803.63
UDP
458629.50 474939.00 435084.93 460793.82 442421.08 496996.37 446922.72 463650.06 382731.86 430640.71 413119.31 474550.87 409125.00 499091.28 461672.01 472098.09 416915.98 367442.23 345372.71 334225.69 303083.64
Undecanoylcholine
242050.88 179153.44 213461.60 161504.74 255977.29 165558.66 205002.95 175727.22 246464.02 284193.61 218933.55 164946.61 227817.98 220830.02 173696.12 167940.15 241530.24 219465.96 241232.30 178915.54 261920.71
Urolithin B
54978.41 75756.48 74514.09 74671.08 73166.76 86180.45 91490.49 71366.78 63904.58 62305.42 83229.63 75260.78 68664.34 64974.22 87859.85 74916.45 64284.67 57947.64 67710.73 62454.39 64063.18
Val-Ala
778771.83 992655.03 932239.92 1097983.07 843636.55 1036102.10 1090412.20 1034740.40 814928.58 798966.44 946974.07 1083944.32 969408.86 887371.24 1059425.45 1067265.43 948944.99 468121.59 461039.86 493696.86 407374.47
Vicine
118683.38 127015.11 91327.24 140643.68 108989.92 121601.05 121307.20 153074.39 112206.24 96957.50 113349.52 143933.51 131853.01 123876.21 115470.74 142851.57 107332.84 120342.20 119693.62 120484.28 87537.48
Vinylacetylglycine
102373.89 115711.79 123047.52 143090.34 107418.72 132200.64 140120.17 131266.34 102526.77 97978.67 108261.40 138009.48 121755.18 121079.51 131368.06 142995.79 111995.58 160350.80 156465.13 164705.94 145093.00
xi-4,5-Dihydro-2,4(5)-dimethyl-1H-imidazole
729654.40 813907.91 793624.17 934892.27 786149.70 729879.70 937896.18 945245.88 927687.07 744942.76 742114.97 879256.80 924188.00 820238.53 791509.43 989521.90 979477.94 360956.29 321908.84 342461.76 306844.58

Factors:

F1cell_type:iRBC | treatment:DHA | treatment_duration_(h):-
F2cell_type:iRBC | treatment:DHA | treatment_duration_(h):1.5
F3cell_type:iRBC | treatment:DHA | treatment_duration_(h):3
F4cell_type:iRBC | treatment:DHA | treatment_duration_(h):6
F5cell_type:iRBC | treatment:DMSO | treatment_duration_(h):-
F6cell_type:iRBC | treatment:DMSO | treatment_duration_(h):1.5
F7cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3
F8cell_type:iRBC | treatment:DMSO | treatment_duration_(h):6
F9cell_type:iRBC | treatment:DMSO | treatment_duration_(h):9
F10cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):-
F11cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):3
F12cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):6
F13cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):9
F14cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):-
F15cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):3
F16cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):6
F17cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):9
F18cell_type:unRBC | treatment:DHA | treatment_duration_(h):-
F19cell_type:unRBC | treatment:DHA | treatment_duration_(h):1.5
F20cell_type:unRBC | treatment:DHA | treatment_duration_(h):3
F21cell_type:unRBC | treatment:DHA | treatment_duration_(h):6
F22cell_type:unRBC | treatment:DMSO | treatment_duration_(h):-
F23cell_type:unRBC | treatment:DMSO | treatment_duration_(h):1.5
F24cell_type:unRBC | treatment:DMSO | treatment_duration_(h):3
F25cell_type:unRBC | treatment:DMSO | treatment_duration_(h):6
F26cell_type:unRBC | treatment:DMSO | treatment_duration_(h):9
F27cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):-
F28cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):3
F29cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):6
F30cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):9
F31cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):-
F32cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):3
F33cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):6
F34cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):9
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