Data for ST002283
Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 |
---|---|---|---|---|---|---|---|---|---|
10-Nitrolinoleate | 24224.63 | 25628.25 | 63284.44 | 30477.82 | 100322.47 | 10877903.76 | 17117.44 | 12170.27 | |
10-Nitrooleate | 8820.65 | 7965.51 | 8974.87 | 10159.17 | 9810.81 | 187978.93 | 8102.25 | 6573.81 | |
11-alpha-Hydroxy-17-methyltestosterone | 39601.94 | 15744.84 | 22087.34 | 11786.09 | 64867.50 | 175004.15 | 31330.84 | 8804.57 | |
12-Aminododecanoic acid | 2999.93 | 1843.08 | 1804.84 | 2162.20 | 3193.78 | 105438.82 | 2183.07 | 2036.70 | |
12-Oxo phytodienoic acid | 21691.65 | 8366.36 | 10422.79 | 8576.70 | 54124.52 | 556334.94 | 11859.51 | 8659.90 | |
"13,14-Dihydro-15-keto Prostaglandin A2" | 58901.40 | 15366.33 | 71589.46 | 17790.66 | 136252.69 | 561707.68 | 56930.96 | 13148.19 | |
"1,3-di-o-Tolylguanidine" | 80362.49 | 13651.70 | 6703.88 | 6380.47 | 30826.65 | 13745.16 | 4274.43 | 300751.91 | |
"15(R),19(R)-hydroxy Prostaglandin E1" | 27859.05 | 10300.00 | 19797.99 | 14069.56 | 101452.16 | 544093.53 | 15645.28 | 11034.53 | |
"2,2,6,6-Tetramethyl-4-piperidinol" | 50898.39 | 44645.38 | 45177.40 | 34360.06 | 25403.24 | 22610.59 | 123505.82 | 24429.24 | |
"2-(3-{[3-(Tetrahydro-2H-pyran-4-ylamino)-3-oxetanyl]methyl}... | 4986.51 | 5628.10 | 14520.01 | 4631.44 | 4787.42 | 8295.20 | 5237.87 | 6195.68 | |
"2,3-Dinor-8-epi-prostaglandin F2alpha" | 9831.42 | 1680.58 | 2770.93 | 1734.09 | 24613.00 | 125121.56 | 4298.39 | 1683.81 | |
"2,4-Bis(3-methyl-2-buten-1-yl)-6a,11a-dihydro-6H-[1]benzofu... | 33700.35 | 30310.11 | 34969.05 | 21688.19 | 23419.15 | 28590.58 | 34572.62 | 17118.92 | |
"2,6,10-Trimethyl-2,6,10-triazaundecane" | 26927.53 | 25547.79 | 17330.68 | 25009.77 | 20203.64 | 48041.72 | 21029.38 | 3414.82 | |
2-Aminonicotinic acid | 1064391.61 | 718242.58 | 268240.45 | 216984.68 | 1127968.45 | 390651.34 | 395507.09 | 191389.95 | |
"2-Methoxy-N-[(3S,3aS,8S,9S,9aS,9bS)-3,5a,9-trimethyl-2-oxod... | 20579.21 | 21994.79 | 19198.54 | 25051.22 | 24503.70 | 2976695.76 | 28685.69 | 20185.76 | |
2-Naphthylamine | 1569.98 | 2826.51 | 15467.41 | 137959.58 | 1208.31 | 19739.20 | 1158.48 | 3164.86 | |
2-Phenylacetohydrazide | 28448.85 | 38916.94 | 8237.46 | 14720.76 | 16678.44 | 2431.13 | 7735.83 | 70257.79 | |
"3-(4-Butylphenyl)-4-(4-fluorophenyl)-1,3-oxazol-2(3H)-one" | 3301.52 | 274332.79 | 2760.19 | 3300.84 | 2924.26 | 3824.66 | 2964.36 | 2893.80 | |
4-Acetamidobutanoic acid | 104890.65 | 70423.47 | 124699.94 | 67708.03 | 80003.66 | 25765.08 | 43723.89 | 3765.78 | |
4-Guanidinobutyric acid | 77807.09 | 111045.64 | 76435.28 | 296857.98 | 85198.85 | 84489.93 | 48619.19 | 42075.90 | |
4-Piperidinecarboxamide | 42277.36 | 79666.59 | 18516.50 | 34700.85 | 28233.78 | 7407.25 | 15053.19 | 71544.25 | |
"5(Z),8(Z),11(Z)-Eicosatrienoic acid ethanolamide" | 2130.30 | 1832.74 | 1850.84 | 7967.28 | 1587.93 | 62982.93 | 1514.12 | 1510.06 | |
"6-Hydroxy-1-(hydroxymethyl)-5-{2-[(4-methoxybenzyl)amino]-2... | 28350.74 | 61102.89 | 31604.57 | 50980.25 | 55335.85 | 47212.31 | 19331.33 | 82474.20 | |
6-Ketoprostaglandin F1alpha | 115168.42 | 6012.63 | 41414.13 | 5969.97 | 269832.77 | 448515.30 | 71349.19 | 4292.05 | |
6-Methylnicotinamide | 144504.96 | 2685.43 | 102354.19 | 1686.21 | 87217.00 | 1109.00 | 146765.30 | 1032.66 | |
"8-Bromo-2-(3-pyridinylcarbonyl)-1,3,4,12a-tetrahydropyrazin... | 119460.59 | 76057.50 | 76158.48 | 67672.84 | 3607.87 | 4790.11 | 46099.90 | 70195.00 | |
9-Nitrooleate | 6218.01 | 6573.71 | 9418.53 | 6649.49 | 8422.11 | 145513.50 | 9285.90 | 8503.53 | |
"9-Oxo-10(E),12(E)-octadecadienoic acid" | 349729.82 | 20475.40 | 374436.53 | 39998.93 | 601224.27 | 10486205.49 | 152991.95 | 15065.96 | |
9-Oxo-ODE | 366556.84 | 55845.50 | 397998.29 | 67734.09 | 817928.24 | 2924592.24 | 148807.36 | 55475.18 | |
"9S,13R-12-Oxophytodienoic acid" | 80422.49 | 18527.98 | 48527.33 | 21298.37 | 172621.13 | 594904.33 | 28311.73 | 15779.95 | |
Acetophenone | 10049.42 | 26509.41 | 50191.17 | 24138.65 | 5280.22 | 331319.17 | 3169.24 | 3462.68 | |
Acetylarginine | 149033.76 | 198502.80 | 90306.02 | 123387.72 | 138907.74 | 40029.84 | 118205.14 | 15581.50 | |
Acetyl-beta-methylcholine | 62659.69 | 131342.16 | 138827.55 | 290903.73 | 42464.83 | 165955.03 | 152221.31 | 228038.41 | |
Acetylcholine | 88813.66 | 99138.63 | 197201.58 | 601164.11 | 60396.59 | 807992.80 | 500763.23 | 214736.88 | |
Acetyl-L-carnitine | 289400.77 | 94976.90 | 4284.18 | 171877.50 | 47522.68 | 188617.25 | 525544.30 | 19250.85 | |
Adenine | 349619.69 | 137364.77 | 974595.54 | 71999.53 | 185585.29 | 26125.52 | 53529.05 | 30728.14 | |
Adenosine | 23210.22 | 37768.22 | 10130.59 | 53478.22 | 25052.27 | 35457.15 | 19041.08 | 169913.84 | |
Alanyltyrosine | 15949.03 | 5850.72 | 3969.32 | 50660.28 | 124652.78 | 2939.76 | 3549.59 | 1024.11 | |
alpha-Eleostearic acid | 25780.92 | 14013.43 | 9859.14 | 8548.37 | 36383.21 | 2113871.21 | 15948.73 | 12941.79 | |
alpha-Lactose | 4137.07 | 14086.15 | 12631.42 | 5102.27 | 143641.57 | 32191.70 | 170155.97 | 166728.76 | |
Amphetamine | 20140.75 | 9509.46 | 7925.59 | 8948.37 | 10042.86 | 11133.31 | 15853.48 | 4842.57 | |
Betaine | 1514839.08 | 6610687.35 | 4848911.88 | 9627340.76 | 606646.57 | 1707451.64 | 1182161.30 | 8300355.34 | |
Bis(2-ethylhexyl) amine | 58209.34 | 72831.25 | 64996.87 | 19965.41 | 30585.54 | 66764.62 | 18600.60 | 31541.90 | |
Bis(4-ethylbenzylidene)sorbitol | 4302.01 | 4322.62 | 4829.13 | 8213.23 | 4771.92 | 6769.25 | 27582.72 | 3507.11 | |
Cafestol | 12035.96 | 1948.26 | 26927.49 | 2325.98 | 25731.51 | 457772.72 | 9247.22 | 1801.85 | |
Caffeine | 1693.41 | 1070.08 | 1378.12 | 1049.93 | 1335.69 | 121763.85 | 1419.76 | 1223.53 | |
Caprolactam | 171519.70 | 66916.20 | 89733.94 | 71618.79 | 419482.54 | 86745.58 | 160297.53 | 43973.33 | |
Choline | 12680035.16 | 1763556.83 | 7370109.98 | 2588083.93 | 17766292.09 | 1189827.47 | 14670318.90 | 554261.88 | |
Coniine | 9740.04 | 17300.43 | 14621.53 | 5788.43 | 6026.04 | 9325.31 | 16783.75 | 8857.33 | |
Coumatetralyl | 105091.52 | 95124.73 | 47259.02 | 104252.06 | 76325.23 | 28157.91 | 51135.01 | 5166.76 | |
Creatine | 197772.88 | 1665.53 | 621419.09 | 3951.62 | 476613.15 | 17260.12 | 1039890.31 | 1224.98 | |
Creatinine | 3037049.61 | 331759.46 | 3164623.08 | 177825.96 | 6013545.09 | 210288.66 | 6742924.53 | 57944.46 | |
CUDA | 10750.93 | 1263.07 | 2800.64 | 1851.45 | 41434.38 | 244679.07 | 1172.60 | 1062.20 | |
Cyclo(leucylprolyl) | 3100.45 | 2105.57 | 3398.97 | 2165.15 | 5457.55 | 63247.92 | 1282.62 | 80822.74 | |
Cytosine | 67875.81 | 43978.28 | 24875.10 | 30989.26 | 132535.59 | 80469.48 | 8661.19 | 6077.33 | |
Desthiobiotin | 14751.23 | 2454.78 | 1841.32 | 1440.15 | 133056.50 | 1147.72 | 13519.41 | 1084.25 | |
Dextromethorphan | 6119.81 | 6149.63 | 9099.99 | 9692.20 | 7000.62 | 7890.36 | 6545.01 | 15935.31 | |
Didecyldimethylammonium | 1109505.72 | 287449.33 | 396791.05 | 895646.85 | 413929.65 | 289710.92 | 411455.05 | 324957.49 | |
DL-Carnitine | 1967018.02 | 324231.06 | 1697563.53 | 2187467.47 | 759937.08 | 474093.67 | 5753909.78 | 366808.80 | |
DL-Metanephrine | 997.42 | 3192.58 | 703.60 | 22488.92 | 1684.58 | 19622.11 | 644.58 | 1170.14 | |
DL-Stachydrine | 49621.66 | 2854061.57 | 142882.47 | 1609890.57 | 269970.87 | 8023017.44 | 74236.27 | 508152.62 | |
D-(+)-Maltose | 3157.69 | 20506.34 | 9784.02 | 7627.53 | 105030.02 | 26997.18 | 44970.64 | 121784.35 | |
D-Panthenol | 265932.76 | 87877.43 | 69286.58 | 9765.65 | 145694.17 | 17278.97 | 219600.88 | 10107.13 | |
D-(+)-Proline | 716637.23 | 218473.56 | 297733.73 | 143011.23 | 615908.12 | 80320.86 | 156739.17 | 38977.94 | |
Ecgonine | 6179.31 | 882.40 | 14670.09 | 2378.55 | 23269.91 | 12658.24 | 108162.22 | 1313.67 | |
Erucamide | 380495.85 | 374529.52 | 173191.55 | 114072.64 | 374341.81 | 2388755.96 | 128225.98 | 86154.21 | |
Ethyl palmitoleate | 10155.30 | 26328.00 | 91197.34 | 60940.32 | 10832.94 | 606408.49 | 10735.19 | 9616.08 | |
Glycylproline | 19581.78 | 15824.72 | 14255.26 | 42643.37 | 15842.63 | 21499.79 | 6818.59 | 11356.57 | |
Guanine | 35619.51 | 38482.46 | 33964.43 | 29356.99 | 30573.43 | 7977.33 | 56655.58 | 29131.89 | |
Histamine | 727756.49 | 1225828.21 | 55080.31 | 157080.65 | 278637.23 | 1718.78 | 63129.74 | 84476.61 | |
Hypoxanthine | 2228159.25 | 113583.81 | 2688202.83 | 208449.71 | 2211291.25 | 170406.57 | 2507695.73 | 41166.60 | |
Irgafos 168 | 123813.77 | 366408.26 | 158629.62 | 294948.13 | 199784.88 | 45600.93 | 138601.77 | 305890.45 | |
L-Alanyl-L-proline | 35609.06 | 38379.40 | 19644.43 | 57613.08 | 31241.98 | 18597.50 | 14818.42 | 3633.55 | |
L-Norleucine | 400491.05 | 95302.22 | 325031.62 | 67998.49 | 479604.77 | 147328.34 | 102108.06 | 193224.04 | |
L-Phenylalanine | 264492.34 | 31854.51 | 312604.56 | 43576.65 | 240740.82 | 204568.87 | 89432.10 | 17624.41 | |
Methylimidazoleacetic acid | 1133.12 | 127849.52 | 602.22 | 10133.38 | 8233.48 | 677.80 | 440.45 | 2168.25 | |
"N-{4-[(2R,3R)-3-(Hydroxymethyl)-4-isobutyl-5-oxo-2-morpholi... | 3604.45 | 3400.66 | 6871.77 | 4288.21 | 3427.33 | 9354.30 | 3785.79 | 2921.01 | |
"N-{4-[(2R,3R)-3-(Hydroxymethyl)-5-oxo-2-morpholinyl]phenyl}... | 3051.13 | 1824.47 | 2113.73 | 2926.96 | 2721.34 | 73786.40 | 3255.09 | 2453.60 | |
N6-Acetyl-L-lysine | 901.96 | 8565.90 | 46282.95 | 4235.91 | 3887.16 | 722.49 | 523.63 | 75643.66 | |
N8-Acetylspermidine | 55903.13 | 1188.92 | 256847.02 | 5449.90 | 16662.86 | 14770.35 | 56944.19 | 684.00 | |
N-Acetylhistamine | 16352.19 | 21332.47 | 258749.51 | 11201.53 | 17089.78 | 70671.41 | 3670.01 | 3815.43 | |
Nicotinamide | 123719.59 | 12066.24 | 9624.54 | 8742.77 | 17335.64 | 12305.85 | 153185.32 | 7982.18 | |
N-Methylhydantoin | 38003.17 | 25090.66 | 3065.76 | 4993.45 | 21253.82 | 2982.93 | 3687.46 | 1125.62 | |
N-Methylnicotinamide | 398401.98 | 494334.19 | 99436.53 | 227361.73 | 263997.88 | 39844.13 | 117214.34 | 46174.45 | |
"N,N-Diethylethanolamine" | 1450.23 | 78702.50 | 1950.68 | 21739.85 | 1318.94 | 88579.84 | 1717.89 | 9724.71 | |
"N,N-Diisopropylethylamine (DIPEA)" | 420880.69 | 632062.15 | 380950.85 | 410734.78 | 479864.51 | 497787.61 | 597073.90 | 716566.86 | |
"N,N^-Diphenylguanidine" | 17765.71 | 9575.22 | 10247.47 | 3293.94 | 25436.48 | 2542.18 | 17622.61 | 6411.52 | |
Nootkatone | 27198.70 | 4267.42 | 21890.37 | 3358.41 | 24432.26 | 6144.92 | 19213.52 | 2420.80 | |
Norbutorphanol | 11321.71 | 9173.02 | 12708.28 | 10462.14 | 8538.73 | 11702.71 | 9108.19 | 22214.49 | |
N-Phenylacetylglutamine | 19598.05 | 3129.56 | 94111.97 | 11985.00 | 47322.53 | 6514.25 | 295159.40 | 2769.83 | |
Palmitoyl ethanolamide | 13104.95 | 39675.27 | 3460.76 | 207741.76 | 6507.40 | 2706592.62 | 6127.96 | 34661.27 | |
Palmitoyl sphingomyelin | 21193.43 | 8115.79 | 139847.98 | 22858.04 | 46674.70 | 23200.96 | 27624.31 | 1262.70 | |
PEG n10 | 413005.49 | 308470.51 | 345403.76 | 352396.27 | 254524.28 | 225983.40 | 356808.43 | 240451.07 | |
PEG n11 | 301256.90 | 263025.76 | 258536.17 | 326338.90 | 204588.65 | 187607.33 | 276220.77 | 211772.92 | |
PEG n12 | 214792.41 | 178247.68 | 191621.57 | 303130.96 | 153507.52 | 137651.60 | 199137.83 | 135029.69 | |
PEG n13 | 157386.19 | 133784.87 | 151616.86 | 272763.94 | 112109.67 | 111920.52 | 155923.77 | 95409.26 | |
PEG n14 | 125196.64 | 109089.72 | 112778.66 | 213784.98 | 81453.84 | 87800.01 | 114887.73 | 67230.78 | |
PEG n15 | 95595.14 | 80449.76 | 92188.89 | 155385.01 | 64706.96 | 69085.37 | 89105.46 | 52039.96 | |
PEG n16 | 92165.52 | 82145.88 | 87677.29 | 143699.21 | 75666.93 | 65203.04 | 88154.90 | 57228.98 | |
PEG n5 | 533868.93 | 375767.58 | 421735.88 | 593831.69 | 469334.45 | 296810.86 | 497753.55 | 462234.09 | |
PEG n6 | 512192.93 | 336172.32 | 421909.11 | 357803.01 | 359925.51 | 255347.59 | 453649.47 | 387898.84 | |
PEG n7 | 637882.33 | 429041.87 | 462605.82 | 432481.62 | 381462.50 | 300571.36 | 502993.08 | 333167.31 | |
PEG n8 | 634173.59 | 425516.66 | 536488.27 | 446932.16 | 360138.47 | 413293.00 | 517350.23 | 333946.28 | |
Penbutolol | 2125.95 | 2316.48 | 2109.63 | 3561.75 | 1668.74 | 77007.14 | 1549.36 | 1283.69 | |
Pinolenic acid | 75416.29 | 21154.48 | 109469.46 | 41657.02 | 97546.62 | 2796368.31 | 41998.15 | 16348.06 | |
Prolinamide | 54234.83 | 77798.69 | 17235.12 | 31196.26 | 24610.12 | 5885.97 | 17004.16 | 3965.70 | |
Prolylglycine | 873.61 | 19659.16 | 595.29 | 255660.86 | 657.86 | 404.95 | 779.51 | 10620.51 | |
Prolylleucine | 40258.46 | 56176.77 | 32587.25 | 70970.15 | 37471.11 | 23791.23 | 26842.48 | 7257.37 | |
Prostaglandin B1 | 9867.64 | 7396.33 | 9330.02 | 8927.30 | 18787.06 | 327354.07 | 8345.85 | 5316.51 | |
Sedanolide | 24320.40 | 22493.43 | 22985.98 | 20883.55 | 32857.14 | 266511.74 | 19663.65 | 29736.11 | |
Taurine | 47663.56 | 734.39 | 18885.13 | 573.72 | 55246.55 | 20240.77 | 143468.59 | 736.23 | |
Tetrakis(2-hydroxypropyl)ethylenediamine | 276425.69 | 21600.58 | 7264.66 | 6925.18 | 48021.22 | 2154.70 | 314568.87 | 15609.18 | |
Tramadol | 5496.92 | 5972.54 | 4286.77 | 3781.64 | 5265.87 | 114339.62 | 6592.68 | 4775.09 | |
Tramadol N-Oxide | 1485.24 | 2071.68 | 1267.90 | 974.14 | 1812.46 | 114170.23 | 2603.46 | 2009.14 | |
Tribufos | 1822.56 | 1978.53 | 3957.09 | 2078.32 | 1487.52 | 1356.24 | 23994.59 | 1023.06 | |
Triethanolamine | 183761.10 | 67190.58 | 74557.07 | 18126.55 | 65394.49 | 21792.12 | 46691.82 | 23750.39 | |
Triethylene glycol monobutyl ether | 13921.34 | 14777.50 | 14188.83 | 94917.34 | 10605.29 | 8919.15 | 16458.96 | 18063.14 | |
Trimethoprim impurity C | 44842.42 | 77467.51 | 15894.37 | 34763.14 | 29326.68 | 5753.86 | 14111.81 | 4317.15 | |
Urocanic acid | 165671.03 | 52992.60 | 192028.41 | 95412.30 | 170068.18 | 1135628.45 | 81864.52 | 27082.80 | |
Venlafaxine | 9282.66 | 12201.62 | 13560.33 | 14477.15 | 15488.47 | 227069.34 | 20439.10 | 16276.78 | |
Victoria Pure Blue BO | 1563.68 | 3134.90 | 1564.79 | 2492.93 | 24717.27 | 15206.49 | 2951.55 | 1876.49 | |
Zolazepam | 570.05 | 769.73 | 648.74 | 608.13 | 554.99 | 570.19 | 606.70 | 42384.42 |
Factors:
F1 | Age:61 | PMI:2-10 | Deposition:Pre deposition | State:Fresh |
F2 | Age:61 | PMI:834 | Deposition:Burial | State:Skeletonised |
F3 | Age:67 | PMI:2-10 | Deposition:Pre deposition | State:Fresh |
F4 | Age:67 | PMI:790 | Deposition:Burial | State:Skeletonised |
F5 | Age:77 | PMI:2-10 | Deposition:Pre deposition | State:Fresh |
F6 | Age:77 | PMI:872 | Deposition:Open pit | State:Skeletonised |
F7 | Age:91 | PMI:2-10 | Deposition:Pre deposition | State:Fresh |
F8 | Age:91 | PMI:219 | Deposition:Open pit | State:Skeletonised |