Data for ST000054    Perform sample normalization    Run cluster analysis

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

Metabolite structureAll dataF1F2F3F4F5F6F7F8F9F10F11F12F13F14
1-monopalmitin ME053472 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 ME053473 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 ME053474 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 ME053476 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 ME053475 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 ME053477 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 ME053478 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 ME053479 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 ME053480 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 ME053481 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 ME053482 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 ME053483 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 ME053484 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 ME053485 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 ME053486 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 ME053487 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 ME053488 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 ME053489 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 ME053490 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 ME053491 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 ME053492 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 ME053493 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 ME053494 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 ME053495 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 ME053496 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 ME053497 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 ME053498 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 ME053499 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 ME053500 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 ME053501 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 ME053502 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 ME053503 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 ME053504 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 ME053505 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 ME053506 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 ME053507 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 ME053508 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 ME053509 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 ME053510 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 ME053511 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 ME053512 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 ME053513 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 ME053514 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 ME053515 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 ME053516 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 ME053517 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 ME053518 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 ME053519 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 ME053520 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 ME053521 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 ME053522 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 ME053523 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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