Data for ST000054   

(Analysis AN000092): Average values per metabolite and experimental factor (Units:Peak height)

Metabolite structureAll dataF1F2F3F4F5F6F7F8F9F10F11F12F13F14
1-monopalmitin
225.24 531.00 279.40 1282.25 415.38 912.25 150.52 762.67 240.50 383.50 144.30 523.00 1589.32 3626.62
1-monostearin
220.71 728.25 291.12 701.25 405.12 775.75 133.70 398.50 204.05 346.50 152.90 337.25 914.75 8514.38
2-hydroxybutanoic acid
82846.38 99360.00 62004.36 97553.25 115940.88 109245.00 77457.57 76006.67 66747.05 60077.50 61566.30 72809.25 85272.54 84980.56
alpha-ketoglutarate
346.81 382.50 229.80 359.50 849.44 367.75 940.70 399.00 604.85 267.75 228.85 341.00 698.32 890.00
alpha tocopherol
1905.43 812.75 701.76 819.75 728.00 573.75 571.57 1086.00 1266.90 305.75 594.95 378.50 1155.43 2474.50
aminomalonic acid
2907.67 2543.50 3137.48 6562.75 1423.06 330.50 2810.39 293.50 1716.35 1371.25 2486.75 2547.75 3764.57 1361.62
arachidiic acid
59513.43 62390.75 46593.48 55526.50 56567.38 62541.25 56857.22 40648.33 61137.45 50767.50 51614.60 57606.25 52060.43 55649.75
aspartate minor
9108.76 8322.75 7676.08 10795.25 11437.06 7864.75 2349.22 4191.00 6788.15 6621.75 2154.05 2998.75 7134.14 3774.31
behenic acid
4710.52 4734.00 3643.08 3896.00 4110.94 4590.25 4419.39 3398.33 4495.05 3538.25 3915.35 4373.25 4301.68 5325.44
benzoic acid
63960.71 69828.25 50754.84 68350.50 60612.19 65446.00 61230.43 60646.33 63593.95 63573.50 58353.25 61345.50 60059.04 59165.94
beta-hydroxybutyric acid
555412.62 684335.50 316168.44 495193.50 614080.12 1010750.50 394208.96 481422.67 347453.25 238013.50 176121.00 176737.25 395365.11 400152.94
caprylic acid
12175.57 15399.25 10956.92 12887.50 13319.62 15411.25 12054.22 9987.50 12737.85 11831.75 11366.05 12639.50 10220.00 9439.56
chlorogenic acid major
90.48 83.00 81.80 102.00 86.75 80.75 84.70 74.50 85.95 101.50 85.70 72.75 79.29 84.06
cholesterol
137115.90 115653.75 129923.12 115382.50 154541.38 109779.25 88747.04 86840.33 117903.70 101467.50 66471.50 83704.75 68756.29 72774.88
citric acid
38039.95 32004.50 22794.36 45214.25 33524.81 20456.75 23331.35 22419.67 51327.05 34593.25 17394.25 20038.75 28759.79 16630.44
creatine major dehydrated TMS3
7381.95 7521.75 7440.80 11539.75 8030.25 5639.75 9777.30 6701.67 5817.60 6367.50 5539.10 7757.00 9982.07 5683.00
glutamic acid 2TMS
8148.57 4479.50 14347.12 11696.75 11905.50 9463.75 2080.48 1855.00 11690.10 6083.50 3040.65 1527.00 5467.39 3846.81
glycerol
513369.76 727797.50 422772.48 659531.00 576840.31 719649.50 625068.00 610901.33 480149.55 467685.25 617541.10 787330.00 602453.43 586535.50
heptadecanoic acid
53163.38 55169.25 42198.76 56861.25 48137.94 59500.25 51951.74 43548.00 53731.55 44954.00 47890.55 60033.50 50871.75 50873.19
isoleucine
7061.19 4937.50 8386.24 7440.00 8228.12 6542.75 8621.91 3407.00 6844.90 4407.25 4038.35 4227.25 4717.11 4376.44
lauric acid
22024.05 22711.50 14770.48 15503.50 15743.81 12540.25 15920.48 17685.00 18268.60 17061.50 15918.45 17974.50 17401.14 18268.94
linoleic acid
14028.90 16041.25 10466.16 17825.25 11697.81 15952.50 15146.57 16987.00 13354.00 10770.00 13150.00 17297.50 18903.29 17349.06
lysine
3703.43 6023.75 3914.12 7064.00 5609.81 9042.25 4139.96 1691.00 4556.10 5061.25 3918.15 3697.75 4500.00 4073.38
maleimide
8270.43 12284.00 5915.64 12069.00 8172.19 12372.75 4756.39 2690.00 10176.30 11004.25 5387.45 5038.25 8581.00 5517.38
malic acid
10709.38 10395.25 7908.80 11522.25 9664.06 6703.75 6108.78 5147.67 7148.70 7382.00 4757.05 4991.50 8459.57 6814.94
myristic acid
29162.05 31209.00 24085.20 30368.25 27998.81 33129.00 28879.52 25967.33 29295.95 25664.25 26865.90 29986.00 28475.29 27872.38
N-acetyl-L-aspartic acid 1
3748.19 3760.00 3505.16 4699.75 5515.19 5417.50 2867.57 2524.50 4237.45 3444.50 1965.25 2112.75 3424.64 5094.06
octadecanol
3650.76 3787.75 2627.24 3853.00 2985.81 3519.00 3164.87 3146.33 3205.65 2719.00 2692.95 2874.75 4114.57 3457.62
oleic acid
43253.29 52579.00 31868.44 57017.00 45356.94 55976.50 48283.39 55057.67 42755.05 35984.25 39857.95 55321.25 57767.79 54282.62
oxalic acid
115619.24 152521.75 96509.76 132511.75 143204.19 99036.75 111512.22 97884.00 183943.60 95613.75 92247.00 85369.75 120524.89 119906.88
oxoproline
102921.43 86267.00 142732.80 113992.75 127093.06 116661.25 69555.78 47966.50 83265.25 81028.25 54777.95 57927.25 66536.25 50536.88
palmitic acid
2173485.43 2453755.50 1755852.00 2704788.00 2276791.25 3051649.00 2031273.09 1913107.67 2201198.90 1868962.75 1978308.20 2633973.75 2100632.86 2257908.38
palmitoleic acid
221884.57 70012.00 146728.36 85284.25 126845.81 64818.00 221673.65 422092.50 184169.45 39351.75 142370.95 256269.25 197726.46 195756.06
pelargonic acid
23924.10 26928.75 20391.40 25484.00 24201.50 27179.25 23232.04 23233.67 24773.80 26169.75 20603.60 22620.50 20347.04 20301.62
pentadecanoic acid
3393.67 3725.25 2998.52 4784.25 3686.81 3667.75 3337.70 2888.67 3587.10 3241.50 2963.25 3331.25 3350.93 3050.12
phosphate
849201.00 668162.00 553306.48 963841.50 1013276.56 682969.25 793219.48 633462.00 741718.90 784974.75 434673.20 531035.00 566772.21 479175.62
pinitol
1468.24 1270.25 1336.64 1627.50 2519.38 1636.50 1477.39 1335.33 1443.45 1335.50 2081.70 2059.25 1281.86 1494.38
proline
6728.43 7918.75 8537.28 8928.25 11823.75 9061.00 9453.70 4717.50 8514.30 4243.00 4418.80 5884.75 5031.68 4200.31
ribitol
33627.57 36447.50 32480.64 44139.50 36936.88 40107.00 34912.43 33736.33 32527.25 31666.25 32041.85 33812.00 33523.57 31552.19
salicylic acid
325.10 279.75 235.80 447.25 246.00 243.00 573.22 128.00 257.40 222.75 239.45 208.00 321.46 257.31
serine
1630.52 842.00 1871.60 764.75 939.50 719.50 864.61 406.50 733.55 490.50 598.10 598.75 657.39 585.88
serine minor
67474.67 59674.75 78663.76 77579.25 108692.25 126059.75 40695.17 38931.67 72809.90 49721.00 43825.55 47095.75 58980.43 51149.50
shikimic acid
9763.43 9437.00 8497.16 9746.75 9028.81 8142.75 9222.09 773.50 9147.45 11640.00 9399.90 9193.75 2669.25 2137.25
sorbitol
8840.24 9190.50 57870.76 98816.00 28678.19 39970.50 30438.09 16585.67 49096.90 49154.00 52572.30 31983.50 39009.07 37510.62
stearic acid
2541578.57 3022908.50 2098239.80 2830277.75 2675645.00 3161792.25 2504190.30 2250856.33 2789105.70 2304720.25 2299938.05 2928546.50 2542427.61 2924746.56
succinate semialdehyde meox1
12154.48 15819.75 21233.56 10895.50 27527.50 39652.00 13153.91 5481.50 34418.20 10006.50 13833.45 8284.25 6907.21 3981.94
threonine
1849.81 568.50 1419.24 538.25 437.25 410.50 985.04 198.00 442.80 264.50 363.55 401.00 425.61 326.75
threonine minor
70722.43 60058.00 76210.00 75146.00 99702.06 106165.00 43623.96 38500.33 69967.80 48561.50 39371.15 42759.25 54761.11 47481.31
trans-4-hydroxy-L-proline minor1
579.90 558.25 986.40 1012.25 1620.00 823.75 476.78 614.00 511.70 434.25 444.20 330.75 644.54 360.88
urea
14261.90 3894.75 8695.44 11616.50 11921.69 5257.00 7789.78 5536.50 8598.20 22476.75 10850.30 8956.50 6379.50 3671.06
valine
141806.24 161089.25 141674.60 176675.50 191878.44 193037.50 127057.13 34129.00 138437.40 60542.00 95732.05 163446.75 110985.04 146695.81
z dioctylphtalate
11967.57 14529.75 7975.56 12244.50 8819.50 15054.50 9949.04 8399.00 9521.05 7910.75 8125.60 8503.75 14507.29 21673.38

Factors:

F1treatment:Basal | pool aliquot:no
F2treatment:Basal | pool aliquot:yes
F3treatment:DCIS | pool aliquot:no
F4treatment:DCIS | pool aliquot:yes
F5treatment:HER2 | pool aliquot:no
F6treatment:HER2 | pool aliquot:yes
F7treatment:LumA | pool aliquot:no
F8treatment:LumA | pool aliquot:yes
F9treatment:LumB | pool aliquot:no
F10treatment:LumB | pool aliquot:yes
F11treatment:Reduction | pool aliquot:no
F12treatment:Reduction | pool aliquot:yes
F13treatment:Total Pool1 | pool aliquot:yes
F14treatment:Total Pool2 | pool aliquot:yes
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