Data for ST001204   

(Analysis AN002005): Average values per metabolite and experimental factor (Units:Peak intensity)

Metabolite structureAll dataF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21F22F23F24F25F26F27F28F29F30F31F32
1,8-Diazacyclotetradecane-2,9-dione
33116406.67 32589885.33 33946007.33 36790478.67 27214376.67 31520452.67 31359761.33 34913574.00 36339040.00 27754742.00 29834126.00 29535820.00 28503456.67 29151859.33 31255168.00 27955314.00 27313601.33 29577230.67 33369932.67 26425264.67 34791350.00 37895579.33 28792677.33 34467248.00 25778089.33 31320659.33 30313602.00 29815810.67 29169986.67 30328286.67 33162983.33 36579483.33
1-O-Methyl-myo-inositol
16857.00 16492.67 20427.67 15517.33 19959.33 14014.00 18159.67 17518.67 16864.67 19544.00 17647.33 16158.33 16517.33 18870.00 14654.67 16918.33 25569.33 29996.33 27762.33 23741.00 24908.67 29665.67 32475.00 23440.33 26616.67 22514.00 27738.00 27411.67 26368.33 24863.67 29739.67 26724.00
1-thio-beta-D-glucose
61663.67 50927.00 50912.00 59528.33 49547.00 63876.67 97444.00 213966.00 59595.00 46751.67 59196.67 67169.67 57966.67 50141.00 58910.67 71943.67 7866.67 4388.33 3280.00 3382.00 8342.00 3903.67 4288.00 3179.00 9225.67 7295.50 3190.00 - 6861.33 7826.00 3900.00 2754.00
2,3,4,5-Tetrahydrodipicolinate
100852.00 87695.33 88913.00 78051.67 58026.00 72199.33 73046.33 62998.00 98295.33 85005.33 68822.00 68199.00 67625.33 75682.33 83554.67 70061.67 88603.00 71418.67 80245.00 54613.33 83115.00 80795.33 78913.00 92282.33 92306.00 70348.67 77644.00 71376.67 59446.67 97197.33 82420.33 74714.33
2,3-Dihydro-2,3-dihydroxybenzoate
118983.00 103946.33 96365.00 114780.33 92305.67 108381.33 118911.67 122837.33 109635.00 96906.33 115059.33 90893.33 110386.00 114198.67 97622.33 89179.00 84720.67 101209.33 120004.00 102835.33 135427.00 134737.00 97600.00 137051.67 91371.67 123084.33 96282.33 108199.33 84430.67 90564.67 132341.33 127529.00
2,7-Anhydro-alpha-N-acetylneuraminic acid
266224.00 406361.00 248936.33 380288.00 329494.33 121838.00 302028.00 230851.67 418462.67 385660.33 205471.00 125922.33 126499.00 248320.00 125857.33 313835.33 150746.33 160156.33 235692.67 381127.67 221968.00 231045.00 198141.67 370026.33 209845.00 159294.00 405425.00 367460.33 248262.33 485395.67 388948.00 428193.00
2-isocapryloyl-3R-hydroxymethyl-gamma-butyrolactone
72986.67 52961.33 62459.00 70339.33 47170.33 59825.33 51110.00 77329.00 64859.67 60285.33 61208.00 53397.33 54536.67 56956.00 60237.67 61846.33 55508.67 52091.00 67532.33 67256.67 65752.67 69910.00 64030.33 56958.00 61734.67 59932.67 63319.67 55026.33 51126.33 64533.67 61389.00 76116.00
2-Isopropylmaleate
129764.67 116496.33 106222.00 122175.67 94806.33 84798.00 108387.33 126762.00 115547.67 92900.33 106747.33 113005.67 100385.33 106561.67 144653.00 87969.67 128442.67 87393.67 118979.00 86787.33 124491.67 139728.00 123637.33 122294.67 107214.33 100113.00 94768.00 107575.33 131173.33 111665.00 127263.00 139439.33
2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose
16694.50 22805.00 15165.00 15291.67 15089.00 18220.50 16936.00 18541.00 19493.50 16536.50 26937.50 21420.50 13139.00 24256.00 29381.00 19164.00 57691.67 85496.50 76145.00 74059.00 60748.67 61190.00 59028.33 61191.33 48472.67 56788.00 59626.67 59453.33 51001.33 117707.50 71156.00 52984.33
2-Oxobutanoate
252988.33 243025.33 246874.67 225572.33 252444.67 226594.00 229077.00 227070.33 252407.67 242950.00 236507.50 215219.67 261224.00 250700.00 228909.33 190156.33 413577.67 358637.33 386754.67 349145.67 422033.00 389964.33 374340.33 345595.00 420567.00 399638.33 367508.67 351792.00 404047.33 389840.33 368978.00 375328.00
2-Oxoglutarate
442169.33 328518.00 669036.00 802919.67 446754.33 623398.67 1140850.00 1519443.67 505467.67 357506.00 759309.00 1098707.33 515005.67 525827.00 788025.33 956945.67 56334.67 32868.00 23021.67 17212.67 57377.67 35407.67 20224.00 19047.33 56973.67 31916.00 21183.00 15951.67 66641.00 33464.67 20058.00 21180.67
3-Amino-2-piperidone
119717.67 147471.33 119636.00 150406.00 122719.67 125799.33 163262.33 142472.00 117207.00 136594.67 142809.67 148655.33 150651.33 151350.33 135656.67 155797.67 133692.33 144387.67 141083.33 131374.00 148690.00 130905.67 139837.67 124132.67 136343.00 165223.33 123597.00 123649.00 121749.00 127709.67 145419.00 138017.67
3-deoxy-D-galactose
26692.67 23760.50 17539.50 9140.50 22306.33 15105.33 14073.50 7439.50 24887.33 18546.50 16581.00 6867.50 26850.00 16042.67 10603.33 10655.50 86115.33 54026.33 42618.67 41099.33 84474.67 50073.00 46519.00 44118.33 101198.33 51437.00 43085.33 44178.67 86490.00 54665.33 49577.00 44316.67
3-Hydroxyanthranilate
65855.00 48052.00 70071.00 65731.67 38955.33 69429.67 58496.00 73802.33 61231.33 50227.00 74051.00 61001.00 58304.00 64602.67 63686.33 42072.67 68009.33 79301.00 69259.33 50471.67 63095.00 91211.67 68485.00 69193.33 96931.33 71333.33 66017.67 56032.00 55595.67 84937.33 81230.33 74849.67
3-Methylbutanol
204694.33 270666.67 225383.33 265518.33 229964.33 210841.33 263189.33 263773.00 206383.67 256362.00 260883.67 255844.00 278409.00 269342.33 230517.67 258950.33 260206.00 236374.67 231532.00 222508.00 304180.00 221905.33 261425.00 229170.33 227606.00 303088.33 208123.00 237177.00 210519.00 219989.00 271151.00 255765.67
3-N4-ethenocytosine
65585.33 71606.00 52008.33 64475.00 75360.33 76532.33 76161.67 58554.00 65647.67 86699.33 88337.67 71329.33 90881.00 76441.33 80516.33 69438.00 74935.33 61957.00 66008.67 78559.33 53663.33 75128.33 57608.00 67967.67 57348.67 78044.33 69342.00 81675.67 71980.67 62203.67 57324.33 55612.00
3-Oxododecanoic acid
238331.33 449838.33 223650.67 233400.33 384961.33 298382.00 389427.33 333021.67 220179.33 254577.00 98570.33 166270.33 385540.00 359101.00 178587.00 291591.33 321263.00 489340.67 477064.00 392399.67 430003.00 427903.33 380836.67 416267.67 552932.67 518930.67 453195.00 421989.67 225915.33 409257.33 349511.33 330968.00
3-Phospho-D-glyceroyl phosphate
404245.33 448470.00 578707.67 395915.67 319696.67 426971.00 482002.00 312314.33 374461.33 441556.33 572777.67 525056.67 496977.00 498825.00 574513.67 589586.33 238179.67 362166.67 1159826.00 681128.67 194901.00 464907.00 451333.67 989974.33 363886.67 403857.33 562170.33 694688.67 303196.33 347949.00 500294.33 682806.67
4-Amino-4-deoxychorismate
64872.33 62098.00 73998.00 58136.33 58312.67 51041.67 52799.67 58078.00 61559.33 67780.33 60716.33 72066.67 65615.00 61564.67 69015.00 67324.67 85707.33 98037.33 115033.00 78347.67 73674.00 77772.33 75709.00 83034.67 128810.00 78577.00 67596.33 74192.33 91298.33 75934.67 89743.33 67308.33
4-Hydroxy-3-nitrosobenzamide
201563.67 208192.00 213222.00 223184.00 187585.33 198158.67 200387.00 233260.33 216055.67 186443.33 199279.00 201510.67 197328.00 201984.00 203648.00 191170.33 188175.33 201097.67 194743.67 190265.00 227425.67 207146.67 204356.00 207613.67 191473.00 193240.33 191694.67 198491.00 193785.33 204741.00 211572.00 207491.33
4-Hydroxybutanoic acid
1159279.00 1259313.00 1380035.00 1324102.33 1197634.00 1261804.00 1292447.67 1377808.33 1319648.67 1099528.67 1276319.00 1289190.67 1189601.67 1237267.33 1310694.00 1246381.33 1201275.00 1190807.67 1303157.00 1145651.33 1354489.00 1342810.00 1199461.33 1267193.00 1118140.00 1238509.67 1222764.00 1239586.00 1175927.33 1134082.67 1395192.67 1238298.67
4-Hydroxyphenylacetate
109190.00 108478.00 117549.33 107250.33 96858.00 110283.67 107680.67 113592.00 111849.33 98214.67 105736.67 108337.67 103319.00 105718.33 115652.33 109891.00 106659.33 102806.67 110259.00 108097.33 107619.00 117241.33 110691.00 109361.33 103836.00 99733.33 107496.33 100622.33 97367.33 116741.00 104031.00 110496.67
4-Hydroxyphenylacetylglycine
225714.33 213047.33 215245.00 210802.33 137824.33 181127.00 199839.00 191667.00 197634.33 190953.67 206167.67 221976.33 184219.33 214253.67 204280.67 192154.33 221563.33 237539.67 277371.00 187265.33 229850.33 293490.33 215613.00 212343.00 284023.67 232821.67 219334.67 209787.33 222926.67 224711.67 211566.67 276938.67
4-Methyl-2-oxopentanoate
117536.67 112252.67 117005.67 117932.33 121107.00 107576.33 117858.67 108571.67 109484.67 115384.00 107738.67 110571.00 121301.33 117099.00 109606.67 122062.00 122773.00 113106.67 115034.33 105517.67 113175.67 117206.67 115928.33 112171.33 114737.33 123868.67 111448.00 111484.33 116022.33 101344.33 112787.67 117131.00
4-Pyridoxolactone
148468.00 119640.00 146347.67 146434.67 143238.67 151847.00 140484.33 161703.00 111021.67 144804.00 148833.00 119405.33 111242.00 148127.67 113954.00 138856.00 144206.67 126222.00 147649.33 143911.67 140184.00 147120.00 143842.00 151048.50 144057.33 157168.67 141053.33 135415.00 142353.67 144879.33 154034.50 147125.33
5^-Dehydroadenosine
29795.50 23421.00 34093.33 30208.00 32746.00 19173.00 28534.00 42706.67 17035.00 28980.00 23611.00 29310.00 28204.00 14629.00 31191.00 34902.33 158807.00 106310.33 130949.33 191912.00 124701.33 116155.33 150612.33 169212.00 164426.33 91235.00 115505.00 134341.00 127736.33 125662.00 189372.00 221411.00
5-exo-Hydroxy-1,2-campholide
35097.67 44680.33 51666.33 61610.00 51679.67 40428.00 42503.67 61461.67 73813.33 36411.33 45952.67 41163.33 44438.67 31630.00 39606.33 35382.00 38525.00 32749.00 26757.33 34507.33 27574.67 60125.33 49561.33 33297.33 59939.00 56543.67 58448.67 62943.67 26527.33 64863.33 39838.67 35984.00
5-Hydroxypentanoate
148749.00 145086.67 151318.33 161142.00 127285.67 127481.00 172468.67 175027.67 156889.67 129221.67 144147.00 142189.67 145499.67 158113.33 140133.33 126235.67 145781.33 151986.67 159988.67 129504.33 148637.00 179113.33 153664.00 179779.33 144337.00 146341.67 145297.67 157577.33 153969.33 154086.00 173770.67 166312.00
6-Acetamido-2-oxohexanoate
106137.67 118393.33 111107.67 126313.33 113281.33 97658.33 113003.67 148434.33 110872.00 86907.33 109400.33 128757.67 93142.67 112838.33 127747.67 104749.33 102351.67 110571.00 85310.00 100643.00 100058.67 129795.00 105327.00 102907.00 95039.67 91208.00 110282.00 86602.00 93147.33 96255.67 89499.67 113260.67
6-Phospho-D-gluconate
118582.67 116787.67 142820.00 110918.67 112114.00 133019.00 145367.00 127264.33 106705.00 124096.00 152393.33 129778.33 150925.00 135888.33 143907.67 142793.67 115550.33 130203.67 253674.00 155444.33 106066.33 175851.67 135853.00 218359.00 163328.67 135308.67 150532.67 158070.33 146635.33 125662.33 148006.33 165706.67
8-Amino-7-oxononanoate
98825.33 55437.33 60678.00 87033.33 78314.33 73825.00 105177.33 74740.00 88286.33 62730.67 98813.00 59260.67 64909.67 95600.33 61200.33 61511.67 78212.67 73433.33 106049.33 79007.33 81649.67 89742.00 68240.00 53627.67 79959.67 87308.67 77331.33 55198.33 67872.33 89838.67 68255.00 104514.00
9,10-dibromo-stearic acid
59054.33 59195.33 57126.33 58860.67 53474.33 55838.67 59635.33 62946.33 58213.67 55446.33 59613.67 61308.67 53190.33 55427.67 57427.33 56943.67 107288.33 115524.67 111923.67 128111.00 100423.33 86777.67 103416.33 114558.00 103084.67 110863.67 126247.33 145160.67 109124.33 123438.67 160181.00 117082.00
9-Oxononanoic acid
145453.33 128607.33 131300.00 126472.00 122406.33 119806.00 118987.67 125501.33 138110.67 124558.33 137747.33 128031.67 146351.67 129083.33 123880.67 122153.33 146154.33 123269.00 97577.67 127255.00 120777.33 114713.00 118131.00 131669.00 173806.67 111087.33 106366.33 116933.33 124142.33 112049.00 132224.00 119998.67
Acetylcholine
71724.00 83376.33 83902.00 76339.67 66967.00 72592.67 71810.00 81377.00 75288.33 74569.33 83720.33 79084.67 72056.67 78498.33 76381.67 76286.33 91011.67 103553.00 90568.67 97887.00 94013.67 92609.67 101056.67 107275.67 100387.33 103467.00 97981.33 104174.00 92328.00 103059.67 101436.00 112096.00
Acetyl phosphate
34960.33 38313.67 34060.00 43523.00 31331.00 38034.00 32555.33 31585.33 37443.67 33310.00 35037.33 40741.67 33605.67 38459.00 39416.67 32423.67 79635.33 69815.67 69191.67 69972.00 72033.33 62365.33 61580.33 71902.33 82853.67 57595.00 67906.33 68268.00 78065.00 66164.33 70012.00 72856.00
a Cysteine adduct
108800.67 105141.33 113019.33 103525.00 98035.33 112336.67 109586.33 109126.67 100631.00 99143.33 109962.00 101487.33 114489.67 107665.00 112866.67 100734.33 143696.67 140498.67 160937.00 157055.33 151534.33 171480.00 153095.33 164226.33 170283.67 152663.67 152683.67 160527.33 147964.33 160539.33 162887.33 165208.00
Ala-Ala-Asp-Pro
701789.33 723715.00 742657.33 734226.00 703120.67 718409.00 718045.33 741675.33 737334.67 711043.67 689059.67 726139.00 712555.00 727371.33 737369.00 703749.00 715950.33 713035.00 714900.67 707677.33 752311.33 734162.67 740837.00 716523.67 690744.00 719676.00 728981.33 730641.00 687192.33 707668.33 755963.00 737472.33
Ala-Asn-Gln-Gln
364290.00 381548.33 369889.67 401723.00 354688.00 260491.67 328067.00 391412.00 365219.67 289676.33 423862.33 360436.00 390188.67 388244.00 367962.67 376128.33 187818.00 237725.67 209037.00 204689.33 263575.00 213152.33 201540.67 245585.67 292799.33 203786.67 180789.00 183570.00 191331.67 214870.67 233279.33 199860.33
Ala-Asp-Gly-Pro
9708540.33 9512333.33 10168216.00 10224536.67 7874773.33 8599064.00 9989535.67 10775502.00 9716189.67 8299765.00 10152178.00 9147850.00 8441213.00 9599624.33 10193228.67 7688783.00 8554813.67 9324187.33 8706970.67 8021556.67 9534459.33 10288753.67 9088971.00 9144279.33 8233901.00 9315539.00 9167500.67 9057283.00 8155444.00 9601124.33 9525841.33 10047460.67
Ala-Cys-Pro-Ser
70195.00 72272.33 89923.33 90118.33 93331.33 93689.00 104838.33 137467.67 73877.67 66638.00 89423.00 94874.33 90149.00 92568.33 81707.67 99835.33 72210.00 87274.00 149018.00 174301.33 86573.00 105077.33 107723.67 173295.33 92676.67 98916.33 120934.00 149813.33 99433.33 69251.33 126605.67 161661.33
Ala-Phe-Tyr-Tyr
68704.67 79310.67 83673.00 76007.67 80343.67 69111.00 63521.67 71925.67 69275.67 76153.67 72679.33 73898.33 65246.33 79472.67 76515.33 76223.33 102976.33 120595.00 114643.67 94202.00 107743.67 108195.67 112316.33 105344.00 109062.00 101463.00 97028.67 106460.67 113144.00 104614.00 112817.33 95769.67
Ala-Ser
38455.33 10163.33 10347.00 11774.00 41173.33 53680.00 63869.67 83548.33 39953.33 18049.33 16836.67 15412.33 38469.00 26206.33 22081.67 21660.33 10824.00 11780.33 11379.00 13588.33 11218.00 11508.67 11171.33 10504.00 11782.67 10377.33 11636.67 12550.33 10119.33 13491.33 12090.33 12312.67
Albendazole sulfone
100095.67 113846.00 99849.00 103928.00 97885.67 97796.33 94224.33 99953.67 101125.33 98127.33 106376.33 95821.33 84598.67 110514.00 94901.00 104251.33 167405.67 260757.67 302881.00 383479.33 170679.33 236134.67 288646.00 414073.00 202659.67 214353.67 298294.67 368070.00 161735.00 213587.33 336572.00 363187.00
alpha-Irone
397850.33 393650.67 529035.67 549883.33 414704.67 363854.67 421765.33 579888.67 408504.67 361871.00 453094.67 542058.00 386282.00 398414.67 466595.67 431958.67 384049.00 400772.33 439920.33 532152.33 394990.00 399299.67 452150.67 503379.00 448096.33 353429.00 442801.00 480715.33 382684.33 390939.33 480196.67 559660.00
AMP
180109.67 158088.67 151217.00 134521.67 169372.67 161052.67 137110.67 118854.00 178317.67 150540.67 158678.33 129788.33 192726.33 163329.00 140900.00 127674.33 346022.00 411570.00 696813.67 401572.33 292682.67 469856.67 348967.33 546137.00 460860.00 415761.00 414820.33 421035.33 379249.67 396100.67 392877.67 411703.67
ancymidol
114753.67 92733.33 144652.33 95807.00 93660.33 92723.00 109544.33 84289.67 112638.00 101920.00 104350.33 102880.00 92629.67 84842.67 102478.33 100868.33 115526.33 118755.67 118204.67 82070.67 100873.00 127941.67 103584.67 120371.67 94692.33 99757.00 104807.33 102906.33 107209.00 107822.33 118729.33 128299.67
Angustine
151051.67 173345.00 181794.33 172283.67 199611.33 176796.33 175708.67 164674.00 175059.33 178929.67 191224.00 154607.00 226655.67 194475.00 192690.00 158628.67 243359.00 286516.33 288625.33 294340.33 317331.33 371518.00 425613.33 412206.67 281333.00 258803.33 332534.33 342301.33 304036.33 367197.00 376070.33 369850.33
Anthranilate
195357.00 213178.67 214472.67 193661.00 180110.67 187477.67 184672.00 151547.33 198822.00 202664.67 200018.67 188846.67 187396.67 195522.33 192419.67 185657.33 224383.67 206144.67 204147.00 193422.67 197062.67 205769.67 223797.67 198109.00 254290.33 166428.67 201558.67 196775.67 201317.00 230154.00 212105.33 207551.67
Apiole
74448.33 80976.33 88523.00 102172.33 82015.67 70348.33 73042.00 76986.33 78469.67 80849.67 69061.33 81759.33 75070.00 71022.00 72682.67 74577.67 70803.33 80243.00 90831.67 72654.67 87046.67 82345.33 82538.67 99322.67 66763.33 74060.00 84745.67 54301.67 76059.00 77470.67 80891.33 78457.00
Arg-Lys-Asp-Asp
40037.33 56627.00 72064.00 58236.33 51290.00 57022.00 62231.00 46400.00 63203.33 44439.67 57129.00 53154.33 47302.00 44236.00 54812.00 52055.67 48741.33 59403.00 63030.67 58483.00 45810.33 58348.00 58071.67 52464.67 54529.00 45698.33 58465.33 55458.00 57781.33 60166.00 68632.67 65541.33
Arg-Trp-Asp-Cys
63541.67 73071.67 63136.33 69820.67 63750.00 77101.67 73621.67 78779.00 59961.67 67518.67 74799.00 63132.00 57253.33 72739.67 57518.00 71903.00 45943.33 66383.33 76405.00 93809.33 47928.00 58628.67 78766.00 87595.67 46465.00 65489.67 80119.67 81367.67 47213.33 61976.00 80645.00 86984.67
Asp-Asp
134384.33 107224.33 109634.67 108058.33 121751.67 170176.67 188412.67 232844.33 130188.00 123946.33 119125.00 114072.00 145854.00 149209.00 127003.67 118548.00 112463.00 124828.00 138950.33 129373.67 111757.67 140073.67 132428.00 144521.67 136383.00 125066.00 122336.00 131714.33 115115.33 139731.33 134956.67 136533.67
Asp-Gly
112762.67 42998.00 38752.33 35090.33 101391.33 129464.00 153980.00 218644.33 107851.67 60550.00 66873.00 61996.00 104389.00 79636.67 74524.67 71809.33 23610.33 26052.67 24054.00 26418.00 22452.00 28996.33 28051.33 32179.00 22552.67 27008.33 27698.00 27815.67 21543.33 24071.33 30235.33 29755.67
Asp-Ser
54387.00 45302.33 47124.00 45467.00 56371.00 75904.00 83126.67 90914.67 59958.33 47888.67 51910.67 48741.67 56092.00 60851.67 51960.00 52412.67 51068.33 55704.67 57086.33 54645.67 50124.67 54201.67 53613.67 59869.00 54385.67 49670.67 49375.00 52291.33 49913.00 55183.00 54501.33 55549.67
Asp-Trp-Gly-Gly
59143.33 67504.33 66586.67 59076.00 67277.00 68307.33 63534.67 74684.67 57913.00 58039.67 67227.67 60286.00 69538.33 64512.00 65255.33 73318.33 108516.33 127678.67 136457.33 162227.67 140655.67 148300.33 149084.33 178790.00 133792.33 123024.00 135931.67 149108.33 133878.67 129600.33 147057.00 157356.33
Asp-Val-Gly-Pro
1051058.00 1119135.67 1107157.33 1101607.00 1097268.00 1065729.67 1057177.67 1109239.67 1065633.33 1091362.67 1123531.00 1082697.33 1089811.67 1081519.67 1103317.33 1074898.00 1114061.00 1090955.67 1114068.67 1090232.00 1096567.67 1083275.33 1144720.00 1102862.67 1062260.00 1089085.33 1106597.00 1074629.67 1046649.00 1086381.33 1108212.67 1117270.00
Barbiturate
95046.33 65546.50 59045.67 63345.00 82314.00 69641.33 63299.00 69799.00 41036.00 78470.33 37044.67 46756.50 32693.50 64242.67 57720.50 95719.67 56486.33 47461.00 55114.67 50009.67 50787.67 52982.50 65686.33 37385.00 69259.00 63281.33 57894.67 60998.67 63828.00 42528.33 70521.00 38239.00
Bendiocarb
72459.00 67720.67 65682.00 62844.00 55543.33 58262.33 59228.00 63017.33 61912.00 60974.33 58401.67 71549.67 79285.33 59104.33 76197.67 70658.00 53355.33 60779.67 63998.00 62386.33 76030.67 74319.00 64927.00 71910.00 67024.33 65311.33 67757.33 59688.67 67220.67 69433.33 64437.00 68497.67
Benzoate
144116.33 141978.67 155380.00 144554.00 137603.67 142952.00 137632.00 151697.00 152475.67 137466.67 154693.67 140910.33 144452.67 147206.33 148815.33 137757.67 136390.00 153760.67 138526.67 148729.67 154915.00 142004.00 156317.00 148909.00 149436.33 144610.00 153363.67 143004.67 138841.67 152451.67 146938.33 146648.33
Bergaptol
176630.33 138425.33 119430.33 115547.33 167821.33 173896.67 191798.00 145123.33 145800.33 151048.67 126054.67 113933.67 144880.33 157824.67 129372.33 143340.00 157750.67 152746.67 133838.67 154623.33 114167.00 125853.33 129460.33 110612.67 159357.33 148171.00 149386.33 161939.00 163733.67 131764.33 124198.33 139382.33
beta-Citryl-L-glutamic acid
105688.00 95993.67 109742.67 84567.00 93303.67 103554.67 116910.67 86867.00 94682.00 96687.00 112742.67 107822.00 118740.00 107830.33 113241.67 107070.33 198975.33 231339.00 418919.33 287894.00 200107.00 328029.33 249881.00 389214.33 264413.33 259508.00 278613.67 292936.00 215771.33 268420.33 270209.33 291116.67
Butanoic acid
150249.00 137798.33 167642.00 172802.00 166202.00 158473.67 148805.00 168617.67 169924.67 131377.33 146191.00 143882.33 141097.00 148056.00 153313.33 166481.33 149565.67 156092.67 165473.67 149082.67 146322.67 163569.33 158128.33 163702.33 142990.00 158394.67 150071.33 135950.00 155724.67 151209.00 165351.67 141209.33
CDP-choline
208432.00 246053.67 323987.33 415176.00 223039.67 248951.00 306001.00 313587.33 224326.67 236188.67 286897.33 333015.67 237129.67 250773.00 271788.00 325620.00 128305.67 131919.33 135751.67 133040.67 131927.00 141645.00 137475.67 140696.67 115147.67 124657.00 125596.00 133633.67 128135.33 125614.00 142182.00 141944.33
CDP-ethanolamine
602497.00 1522454.33 2001218.67 2028837.00 618301.00 875293.33 980239.67 1048913.33 631547.33 1057008.00 1705954.67 2000022.33 641435.67 1071584.33 1589380.67 1851115.00 181511.00 188342.00 168405.00 185895.00 183929.33 192734.33 182173.00 192457.00 184993.00 182951.00 187537.00 183588.33 188075.67 198093.33 187196.33 192990.67
chelidamate
95448.00 103514.67 102587.33 110794.33 86931.00 87288.33 100649.00 112514.33 115058.33 99543.00 101162.00 98416.67 103538.33 100378.00 96112.33 100241.00 78058.00 101737.67 96670.33 97474.00 98237.67 95604.33 103373.00 93755.00 91531.33 102236.00 90460.00 94118.00 117071.00 107857.67 101971.67 98379.00
Cholate
59162.67 46721.33 53903.67 53629.33 60973.33 52584.67 63238.67 86485.00 49974.00 53234.67 70909.67 52125.67 85278.33 53798.67 66251.33 48722.67 45863.67 63815.67 42673.00 45172.33 63376.33 46319.67 44304.33 39000.67 69054.33 43794.67 42337.00 52286.00 57182.00 49218.67 47437.00 45362.67
Cholesterolsulfate
204648.00 189896.33 185414.67 179654.67 144849.33 169641.00 189103.33 175414.67 198108.67 176716.00 182537.00 207433.67 173393.67 155601.67 194217.67 169925.33 258445.00 233457.33 201022.67 226733.33 210359.67 226119.00 256141.00 303429.33 174094.00 205564.33 229651.33 185037.67 211922.00 261004.00 279985.00 292311.67
Choline phosphate
102416.33 126749.33 141778.67 136023.67 101871.00 106994.33 105957.67 112527.33 107371.67 113396.33 126109.33 92760.00 104420.33 115591.67 132677.67 137819.00 118997.67 120597.67 127033.67 120492.00 135629.00 128849.67 133338.67 156980.33 183376.33 119760.67 123578.00 126779.00 120293.33 144484.00 137382.33 130196.00
cis-Aconitate
35587.33 28788.33 24291.67 23933.00 35853.33 24814.67 23373.00 24425.33 35612.33 24784.00 30626.67 19689.67 37209.33 27551.67 28145.67 20611.33 83292.67 77773.33 56988.00 43086.67 87854.67 84211.00 49191.33 41384.00 92841.33 73356.00 45983.33 42041.00 74682.33 74732.67 56211.67 45362.00
Clavulanic acid
139117.00 149475.00 173396.33 133637.33 101289.00 124785.33 97464.00 105884.67 139556.33 158501.67 109018.33 151949.00 93997.33 97533.33 114695.33 103876.67 118495.00 105623.33 88451.67 109488.67 110875.00 94013.33 108132.33 76776.67 94689.00 117232.33 80377.00 108465.67 99891.67 76224.33 111526.00 141889.67
Crotanecine
77437.67 81444.67 89060.00 78628.00 66544.67 65838.00 68137.67 70131.67 74979.00 63012.67 78761.00 76913.67 60971.33 75985.67 77184.00 65756.33 62726.00 69509.33 75517.00 75358.00 84499.33 99525.00 74663.00 80311.67 62438.33 62609.67 80117.67 86285.67 64479.00 78130.67 95292.00 76907.67
Cys-Gly
68669.00 61443.00 64080.67 80998.67 73144.00 71557.67 75602.67 81124.33 67672.00 67773.67 76801.00 76292.67 66619.67 73360.67 74419.00 75594.00 91292.33 96754.00 108400.00 118406.00 105130.33 115939.00 97821.33 131806.67 120739.00 100749.00 103342.00 102450.67 104611.67 96430.67 111817.33 108588.67
Cys-Gly-Pro-Ser
91919.67 72578.33 84024.67 90176.33 96119.00 97582.67 112727.33 157678.33 84163.33 78098.33 107615.33 104501.00 97823.33 100830.67 96923.00 99895.33 91839.00 123211.33 131952.67 188852.00 162725.00 142004.33 163135.50 264535.50 106378.33 109998.00 164043.67 175750.00 182208.00 104419.67 126389.33 146397.67
Cytosine
111724.67 90661.33 126744.33 129574.67 106483.33 112946.00 106732.67 136428.67 129046.33 106046.67 114445.00 117683.67 97384.00 102500.67 103197.33 116929.00 117935.67 127717.67 134136.33 95434.67 110879.00 104715.67 102553.33 107482.33 86143.67 98622.33 114475.33 102395.33 106306.33 123337.00 124057.00 103563.67
D-Arabinonate
230584.33 214578.67 212665.00 218659.33 217298.00 219938.67 213012.33 267909.67 196986.67 215703.33 232379.33 219166.33 202979.67 227517.33 198899.00 221362.67 325645.33 469768.33 395964.00 392594.67 353053.67 569817.00 351909.67 392877.00 459937.00 362371.00 398130.33 386935.33 290461.00 351352.33 383072.33 390797.00
Decanoic acid
112971.67 96409.50 113345.50 115732.50 91969.67 90081.50 93739.50 110227.00 124628.00 81881.33 96481.50 96319.50 109803.33 77432.00 109144.00 88410.00 96297.00 94839.50 84342.50 94599.67 107697.33 109339.00 103395.00 109651.00 135134.33 86136.00 96597.00 97644.50 89988.67 126051.33 117085.50 99061.00
Deoxycytidine
184322.67 208225.33 236171.33 201055.33 343660.33 342495.67 198301.00 203357.33 210134.00 251459.33 455591.00 359239.00 195862.33 435872.00 234137.33 208369.00 272814.67 341696.67 464861.33 226514.67 232260.00 684997.00 512963.67 474795.00 272954.00 407867.67 202885.33 217216.67 513063.00 303956.00 461932.00 871431.00
D-Erythrose
45936.00 39369.33 40266.67 56113.67 39534.67 42517.33 47748.00 41013.67 46506.67 36666.33 38859.00 47724.00 58263.33 43220.00 39957.00 39452.33 107590.33 103616.67 101187.33 102827.00 112194.00 93801.00 104469.00 113889.67 138914.33 96940.33 96279.33 104312.00 105067.00 101051.67 105405.67 109311.67
D-Erythrose 4-phosphate
52031.00 62944.00 99159.67 52151.67 44545.00 57146.33 69884.00 51189.33 43595.33 65216.33 79856.00 63020.33 60681.00 66151.33 67369.00 69722.67 187524.33 200515.33 356055.00 244723.33 169287.67 192509.67 188128.33 292151.00 273632.00 174588.00 243734.00 245519.67 182531.67 161156.00 221260.67 227674.00
dGDP
216150.33 181908.67 207078.33 159086.00 204121.67 194300.33 220795.67 183181.67 167182.00 226796.00 218349.67 192816.00 222472.33 216232.00 208789.67 222986.33 293894.67 270126.67 830148.33 315940.67 263884.67 336901.67 259442.00 420270.67 440037.00 314601.33 332764.00 301337.00 412816.00 255830.00 301686.33 290662.33
D-Glucose
38106.33 34147.00 33049.00 38628.00 28886.00 30756.33 34765.33 37250.33 43830.00 35978.33 29381.33 34055.33 29999.00 35546.00 30507.67 43154.67 47080.33 66378.67 53537.33 65428.33 50437.00 48568.33 49528.67 79338.67 51483.67 42367.67 46349.00 58410.33 49887.33 64443.67 87469.00 44927.67
D-Glucuronate
179127.67 172829.00 210198.00 195187.33 154151.00 174179.00 174009.00 195203.00 179155.00 197216.33 209853.33 186950.67 195728.33 179209.67 213274.00 183790.00 232854.67 183789.67 203589.33 166953.00 207376.00 205885.33 202073.67 227918.67 286675.33 173352.33 170287.00 156165.00 189918.33 183153.33 212843.33 184911.33
Diclobutrazol
35967.33 46461.67 47093.67 51237.00 40753.00 45707.33 42616.33 52271.33 44553.33 41045.33 42576.67 36851.00 36835.67 38454.33 39613.33 42074.00 56426.67 70584.67 67811.33 72056.00 53731.67 70084.00 74147.33 71027.33 53614.33 47455.33 70058.00 81066.00 50552.00 67250.67 81934.00 67978.67
Dicyclohexylamine
152122.67 255296.00 191857.67 234318.33 137597.00 204336.00 209374.00 246941.00 139538.00 182629.00 224024.00 227608.33 132635.67 263160.00 179507.00 234596.67 178537.00 186766.33 190764.33 229334.67 126545.33 169168.33 258532.67 263291.00 215737.33 148739.67 190478.00 277532.00 145609.00 182844.67 201981.33 214181.67
Digitalin
34288.67 26069.33 18185.33 14532.00 32235.00 30922.33 32595.67 28111.33 30863.00 23251.67 14516.67 18672.67 35270.67 27217.00 18682.00 20898.00 64805.67 76022.67 69481.33 56144.67 60564.00 73006.67 66740.00 81634.67 77067.33 65695.67 59410.67 60251.33 69351.33 70876.00 69073.00 58884.67
Dihydrogenphosphate
15034.33 61912.33 83035.67 88324.00 15826.67 30037.67 31526.67 29617.67 17772.00 45908.00 76790.67 100196.00 17135.00 47545.33 73028.00 83214.33 - 6812.00 6165.00 11954.00 7595.00 7524.00 6742.00 7504.00 7965.00 6817.00 - 6352.00 4845.00 - 5651.00 8270.00
dimethylthiophosphate
72117.00 48708.67 73978.00 48369.00 48491.67 47110.33 64721.33 71691.00 78250.33 61299.33 53051.00 69540.67 71535.67 41458.67 73641.00 49824.33 46706.67 48553.33 53811.67 54722.33 52373.67 46595.33 44663.67 43835.67 50774.67 41912.00 49566.00 39192.00 41306.00 47647.67 52046.67 46619.00
Dinoseb
184795.00 180771.67 173090.00 195192.67 155961.00 170874.67 177610.33 180286.67 202762.67 198076.67 160996.33 193595.67 180607.00 174086.67 178638.33 174808.33 159654.00 179932.33 192516.00 180865.33 179240.67 220665.33 195947.33 198177.67 184755.33 179713.33 183913.67 179131.00 187659.00 193032.33 185632.33 198244.00
D-myo-Inositol 1,2-cyclic phosphate
319567.67 368054.67 421098.33 542896.67 299037.33 328230.00 337655.67 343159.67 319671.67 331163.33 375738.67 447013.67 307872.00 335147.33 341871.67 380166.33 75677.67 78753.33 81656.00 82857.67 75247.33 83775.33 82721.67 88187.33 90640.33 78495.33 76938.67 81037.33 71914.33 83012.33 88809.67 84666.00
Dodecanoic acid
365919.33 336549.00 350730.67 315586.00 447845.67 306729.33 320596.33 393709.67 385194.33 286071.33 368746.67 284673.33 322892.00 346187.67 330251.33 335555.67 200821.00 295364.33 235275.00 253243.67 383015.33 275552.00 329091.67 276385.00 291895.00 218875.00 317118.67 201348.00 288468.00 311430.00 341631.67 279010.33
Dopamine
190424.67 209683.00 232435.67 205755.00 164077.00 177182.33 177854.33 168583.00 202933.00 185333.33 191322.67 196219.00 201637.67 187057.33 195748.67 172138.33 189160.33 178125.00 164033.67 157246.33 165610.67 172188.33 186002.67 150673.67 226184.67 171295.00 165180.67 154339.67 165927.00 186593.33 181986.33 161119.00
D-Ribose
86949.33 99039.67 103509.67 106844.67 124038.00 90482.00 95133.67 86698.67 108482.33 100398.67 104843.33 85473.00 125982.67 103818.33 114814.00 88438.67 208150.00 186550.33 197672.00 162112.33 260078.00 256909.00 287797.00 257211.00 261090.67 184386.67 203435.67 198660.67 234157.33 218930.67 251650.67 206759.67
D-Ribose 1,5-bisphosphate
20716.33 21202.67 21312.67 16343.67 16484.00 20751.00 22734.67 16071.00 19609.67 19264.33 21391.33 16979.00 21272.33 20268.33 21962.00 19293.67 125515.33 135212.00 259211.00 164049.00 117344.33 163354.33 142163.67 224133.00 173658.00 137648.33 165263.67 170927.67 143054.00 133465.67 154002.33 171099.33
D-Sedoheptulose 1,7-bisphosphate
8068.00 11140.50 9219.50 3983.50 7451.67 8032.33 8951.00 4855.33 5529.33 7714.33 8217.67 6903.00 8498.33 6354.67 7498.67 4370.67 103793.00 106805.33 242521.67 146392.00 91814.00 141178.67 120913.67 213887.67 146148.33 111368.33 145438.67 143990.33 111699.00 108892.00 138718.33 158324.00
Durlettone
18883.00 28442.00 29556.67 22115.33 35652.67 34594.50 23266.00 23297.33 25702.00 25467.33 27197.00 21133.00 35562.33 27096.00 30689.33 21470.33 63952.33 44742.00 43365.67 34452.67 69408.33 73910.67 71771.67 54557.67 71186.00 47529.67 48615.33 42389.33 70042.33 60821.67 65558.33 50819.33
Epibatidine
227815.00 265214.67 240910.00 243492.67 222127.00 241900.67 200675.67 219337.33 244951.00 233959.33 244813.67 218695.67 240379.67 236611.00 226023.67 220151.67 270332.33 297918.67 246466.33 259286.33 274697.67 274027.67 261515.33 279171.33 292392.67 244703.67 264782.33 276832.33 277281.33 278137.33 277270.67 255214.33
[FA (11:0)] undecanoic acid
133018.00 124819.33 132827.33 124106.33 126815.00 103619.67 115771.33 128892.33 119724.67 108997.00 126672.00 97351.67 108098.00 125519.67 131296.33 96436.00 109392.00 109371.33 108571.00 116955.33 129462.67 128426.00 126028.00 142014.33 105293.33 108464.67 118913.00 123591.00 113035.67 144441.67 107842.67 122606.33
FA (14:1) tetradecenoic acid
523897.00 460046.33 500984.00 452463.00 355124.67 444345.33 414458.67 465388.33 504192.67 416088.67 457141.67 520551.00 495636.33 504719.33 450790.00 447741.00 438268.33 493989.67 489625.67 491093.33 531448.00 517214.67 437038.00 492828.00 467395.00 463914.33 434005.00 361797.33 439927.33 508343.67 535557.33 547652.33
FA(16:1)
294693.67 201294.67 307831.33 198582.67 219016.67 213645.00 230702.33 234304.33 338273.67 232824.33 283933.67 227193.33 259968.33 256618.00 294043.00 227394.67 205427.33 291680.00 211098.00 197682.33 249707.00 194439.33 267570.00 218166.00 306071.33 177161.67 198909.00 190651.33 207508.33 231896.67 258251.33 203285.67
FA (17:0)
463067.33 509662.00 468253.33 462943.33 423591.00 409784.67 472221.33 513545.33 523070.00 561392.33 465568.00 458930.00 488637.00 433167.00 503185.33 502174.67 405319.67 456536.00 485850.33 451049.67 494114.00 510958.00 499946.33 563560.67 501980.33 413836.00 506126.00 463251.67 510098.00 532892.33 520637.67 559817.00
[FA (18:1)] 9Z-octadecenoic acid
120241.00 141023.33 121838.67 118754.67 90373.67 92658.00 103382.00 117163.67 119672.00 77607.00 103058.00 99071.00 110174.33 89225.67 97510.33 88312.67 107904.00 127290.33 136015.33 89659.33 148959.33 148890.67 111168.00 139715.33 116571.00 131471.00 107376.33 121181.67 110447.33 119536.00 124164.67 131346.00
[FA (18:3)] 9Z,12Z,15Z-octadecatrienoic acid
107768.33 99683.67 123657.33 114649.00 117891.67 105104.67 107066.67 106506.00 128695.67 106392.67 129127.33 96806.00 116764.00 119601.00 109295.67 111531.67 101694.33 113698.33 127095.00 114224.33 121795.33 124865.67 131190.33 123938.67 122460.33 105655.33 104509.00 109686.00 87952.00 107289.00 121992.00 113351.67
FA (20:0)
174257.00 179380.67 220864.33 255910.67 145795.67 160056.00 189819.00 187013.67 196523.67 189199.33 243470.67 189943.00 220053.67 179290.00 190988.67 180435.67 151026.67 214372.00 171141.33 183823.00 207825.67 168757.67 212792.67 188864.33 214816.33 161650.00 166825.33 166256.00 137997.33 196381.67 182979.00 169091.33
FA (20:4)
68740.33 71108.67 74717.00 78978.67 59743.00 56769.67 48622.33 47244.67 69938.67 55370.67 68923.67 60736.33 83625.67 64324.67 59149.67 56788.33 60904.33 73137.00 76262.33 71233.00 73534.33 78565.67 84134.00 83130.00 87050.33 72589.33 69812.00 77239.67 58283.00 73148.33 78226.33 73733.67
[FA (22:5)] 7Z,10Z,13Z,16Z,19Z-docosapentaenoic acid
71396.67 77502.67 71921.33 88368.67 67197.33 58210.33 34301.00 27532.33 73675.67 63928.00 63087.33 61856.00 90626.00 70052.00 57106.67 47072.33 68283.67 81994.67 80898.67 68298.00 76613.33 86100.00 78367.33 85978.67 91555.00 73082.67 74269.00 82771.00 67003.67 90206.33 90650.00 79673.33
[FA (7:0/2:0)] Heptanedioic acid
215469.67 217272.33 228284.67 252249.00 210107.33 228446.67 193402.33 217465.00 244166.33 206420.33 210562.33 234861.00 237469.67 221100.67 223324.67 222018.67 220510.67 213910.33 214461.00 219415.67 227668.33 240695.67 224319.67 240461.67 227263.33 219842.33 219467.00 222010.33 210814.33 240470.67 230525.33 222696.00
FA (8:0) octanoic acid
236848.33 229945.67 242332.67 257832.67 203302.33 232737.33 217703.67 190207.67 226278.00 210508.33 237165.67 231155.33 237040.33 213857.33 224071.33 222936.33 235894.00 225289.67 223168.67 256859.33 240694.33 242536.00 262672.67 246830.67 264331.33 220921.67 227446.33 228569.00 236593.67 264039.67 228224.00 233950.00
FA (8:1) octenal
589835.33 863634.00 766801.00 814374.33 610735.00 620290.67 767466.67 766393.33 810958.67 677748.33 388700.33 531847.67 747856.33 790343.33 641824.00 783171.00 658688.33 951521.67 726321.33 605414.00 919507.33 691268.33 804246.00 912359.33 1210479.00 695375.00 866931.33 771480.00 612087.00 762908.33 725465.33 689046.67
[FA dimethyl(13:0)] 2,5-dimethyl-2E-tridecenoic acid
304560.00 262693.00 280944.67 267015.00 253818.33 268681.00 270080.67 337619.00 287273.67 278863.33 262633.00 308046.67 272395.33 266806.00 289272.67 280277.33 248741.00 313821.67 277483.00 263304.00 271230.67 285726.67 270444.00 282087.33 227184.67 284069.33 261125.00 253353.33 301126.67 287665.33 263311.33 305725.00
FA hydroxy(10:0)
71184.67 81118.00 106703.00 98447.67 79469.00 85434.00 82976.67 93949.00 85188.00 75477.33 70596.00 85213.33 56845.00 92790.67 96661.00 70921.33 61953.00 70153.00 76620.00 49376.00 94417.67 95357.00 79264.67 87942.00 91519.67 65827.33 76695.33 90129.33 81980.00 81795.67 74916.33 92353.67
FA hydroxy(16:0)] hexadecanoic acid
212154.33 198181.33 174502.33 174603.67 159674.00 169074.00 200677.67 229217.33 209229.33 186037.33 189033.00 210507.67 208105.67 192390.33 191046.00 175965.33 188527.33 206363.33 199145.67 166894.33 191461.67 196521.33 182115.00 206612.67 200139.67 202793.33 215339.33 207178.00 207934.67 229659.33 186440.67 223216.00
FA hydroxy(18:0)
37945.33 45158.67 41003.33 49907.67 36606.00 49583.00 38253.33 43712.00 40569.67 37926.67 44282.33 41511.67 51653.67 40334.00 38948.67 39494.67 39108.67 48048.67 36475.67 45532.00 37238.67 50236.67 41928.00 40708.33 60213.33 36293.00 40618.00 39144.00 35044.00 47028.00 51869.33 43269.33
FA hydroxy(6:0)
134201.67 116536.00 145008.67 164605.00 105784.33 127735.33 138183.33 161233.00 154911.33 121270.33 139308.67 135660.67 135529.33 120465.00 135103.00 116361.67 129597.00 119818.67 127697.67 128806.33 129274.67 151978.67 135253.00 132771.67 109747.67 154760.67 132885.00 136950.33 121097.33 155774.67 136376.33 152372.00
FA hydroxy(7:0)
81926.00 86696.33 90439.33 98609.00 82703.00 76668.33 80975.33 93149.67 80863.00 62276.33 77123.00 69127.33 96105.00 94061.00 90863.67 63096.00 78498.00 67199.00 62705.67 70699.00 70063.33 88878.67 82213.33 83689.67 76834.00 75431.33 79423.00 77173.33 60269.33 84956.00 78948.67 80972.67
FA hydroxy(8:0) hydroxy-octanoic acid
158222.67 150255.67 174881.67 152289.33 123557.33 165023.67 159886.33 181143.00 183208.00 147765.33 152833.33 140612.67 134933.00 161910.33 172571.67 151452.00 129948.67 149744.33 160389.00 150752.00 168678.00 187472.00 166122.00 173435.67 132157.33 158119.00 158286.67 154138.67 140377.33 166430.00 171343.67 178464.67
FA hydroxy(9:0) hydroxy-nonanoic acid
114404.67 114978.00 139556.67 153085.00 82135.33 119435.00 118755.67 116624.00 136273.67 101903.67 116650.00 100000.00 113388.67 128514.00 130140.67 107081.00 119383.00 129871.67 109868.33 93729.33 126135.33 161345.33 92165.00 131265.00 98599.33 124133.33 138846.67 104115.67 98449.00 112040.00 134527.67 114702.67
FA methyl(12:0) dodecanoic acid
419845.00 438030.33 419866.67 403961.00 321544.67 417036.33 438806.00 473111.33 395530.33 409670.00 379670.33 439802.33 395628.00 443838.67 432486.00 405829.67 378039.67 422947.00 439669.67 428071.67 462232.67 416111.67 446198.00 450162.67 349412.67 467764.67 413834.67 388858.67 409917.33 465235.67 434700.33 445714.00
FA methyl(14:0)
411448.00 310530.67 405057.00 333719.67 323820.00 331826.33 327813.33 310725.33 494719.00 400984.00 381424.67 370632.67 430033.00 432006.67 342520.00 310771.00 360177.67 403205.67 314074.00 319640.00 417386.00 341130.00 375752.67 348201.67 553163.33 306659.33 315871.67 299288.67 314608.00 400531.33 438824.00 306855.67
FA methyl(15:0) tridecanedioic acid
84857.00 219840.00 40623.67 25424.00 434846.00 331357.33 113875.00 131476.33 37437.33 129359.67 38245.67 16807.67 174488.33 118513.33 44070.33 44244.33 233681.67 100875.67 155901.67 134708.00 176792.67 134906.67 152339.67 65910.67 254241.67 503643.33 125396.33 211765.67 114146.67 159774.67 68156.67 117763.67
FA methyl(16:1)
311454.67 316438.67 299927.67 324377.00 247201.00 302379.00 295734.33 335167.00 297681.00 357483.33 306519.33 309024.33 306247.67 293294.33 297508.67 297275.00 275902.00 300137.33 299460.33 268527.00 298698.33 352312.00 266763.67 323242.67 251740.33 310062.00 331821.33 292041.00 335018.00 322628.00 316915.67 333430.00
FA methyl(18:0)
69226.00 74290.67 79555.00 77801.33 66055.00 60977.67 58720.67 61849.67 77191.67 63990.33 85728.33 80335.00 80333.67 62002.33 79009.67 69190.00 73130.33 72827.33 72541.67 66668.33 78611.00 68671.67 79682.00 70381.67 89633.67 67565.00 68312.00 66006.33 73942.33 80001.67 72043.33 75906.00
FA methyl(6:0)
137925.33 149881.00 138183.67 135195.67 119982.00 134992.33 131693.67 148829.00 134614.33 135230.00 139999.67 141695.33 135353.33 145642.67 138020.33 129363.67 138032.33 132955.67 136477.33 137983.33 138089.33 147459.00 147884.67 148973.33 156075.33 131722.33 138881.00 129383.67 132073.00 152197.00 151881.67 148792.00
FA methyl(8:0)
433091.33 540360.00 454712.33 525776.33 388067.67 531715.00 493325.67 585023.33 529830.00 447594.00 496560.33 524974.67 456202.33 516997.33 486880.33 501459.00 428585.00 484414.00 436832.67 533242.33 409874.00 441456.33 515419.67 507182.33 498117.00 389745.33 453698.00 519294.33 432947.67 469256.67 522673.67 484259.33
FA oxo(16:0)
54417.00 45379.33 58089.67 59661.00 47815.00 48665.67 49700.00 49556.00 62172.67 46752.33 57887.67 53811.33 63693.33 52971.67 48632.33 44696.67 46349.33 56975.00 57397.33 56095.00 52380.33 55719.00 56477.33 60285.67 64201.67 47306.00 52546.33 50519.00 48891.33 64784.00 56609.33 54091.67
FA oxo(18:0)
75355.33 63493.33 80059.33 82527.33 56483.67 64161.00 67377.33 67968.00 86006.67 74202.33 92055.33 70892.00 95437.67 76228.67 66409.33 73339.00 64365.33 80639.00 64865.67 74892.67 79904.33 66458.33 78730.00 77549.67 81996.33 56726.33 66690.00 55440.33 52009.33 77702.67 80402.67 70822.00
FA oxo(7:0)
209705.00 221972.00 235819.00 252847.67 209338.33 209168.33 231266.33 261688.67 277758.33 223324.67 199356.33 229712.67 208549.67 233695.33 254588.00 223769.33 220181.33 231592.33 221527.67 205736.00 233792.33 259880.67 200260.00 251951.67 227766.33 241709.33 226271.33 234134.00 203754.67 251070.33 229667.33 219035.67
FA oxo(8:0) oxo-octanoic acid
85810.33 80633.67 79708.67 93044.00 80843.33 83390.33 78549.67 84523.67 91543.00 75551.67 75698.33 76690.33 99636.67 89604.33 80229.33 81457.00 79274.67 73479.67 88538.67 85066.67 97083.00 81896.33 78248.00 87533.33 100348.67 81863.67 76782.67 90428.00 75516.67 93751.33 83456.00 78760.33
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acid
224749.00 160075.67 213407.00 132876.67 181421.67 177279.00 170414.33 157860.67 225306.33 160102.00 228075.33 139933.00 221113.67 179143.67 162873.67 168747.67 436589.33 384130.33 408313.33 326393.67 391195.67 430700.00 364641.33 347013.67 619958.00 369448.67 386421.33 305052.33 383466.67 420029.00 358924.33 318286.67
Ferulate
490591.67 440525.67 483099.67 539189.33 374648.33 421178.00 451609.67 492693.00 457945.00 400968.00 511157.00 442536.00 397669.67 444946.00 496462.67 380957.67 462738.00 385183.33 400945.00 378255.33 447846.00 535036.00 447780.67 456828.00 347717.67 396540.33 406254.00 432536.67 417841.67 418399.00 429568.00 457884.67
gamma-L-Glutamyl-L-cysteinyl-beta-alanine
69155.33 75748.00 78306.33 81221.33 81647.67 69646.00 82309.33 89816.00 77754.67 77113.67 86573.67 89604.00 86177.33 79975.33 78077.67 88961.33 157326.67 126547.00 123418.00 104191.33 149023.00 132524.67 116834.00 108517.67 164216.67 118418.33 129215.67 110426.67 113305.33 114091.67 125595.00 110625.67
GDP-L-fucose
78615.00 69518.67 86460.33 72738.67 69140.33 72449.33 78615.33 85944.00 67692.67 69590.00 76006.00 80033.00 84887.33 72162.00 80677.33 83191.00 116062.00 133935.00 213040.67 150093.67 110831.67 158237.00 144794.67 178006.67 150883.67 133657.00 156361.00 142734.00 122272.67 126184.00 150921.67 150795.00
Gln-Leu-Lys-Tyr
123407.67 137345.00 165155.33 174022.33 150254.00 143403.33 161447.67 150360.67 141512.33 150447.67 129656.33 163398.67 142213.00 147081.33 154295.67 165599.67 161486.33 137876.67 174821.00 152873.67 140490.00 158599.33 148237.00 141160.00 182396.67 160684.67 148349.00 147541.33 152951.00 133081.67 139369.67 144646.67
Glu-Ala-Ala-Pro
2363027.00 2529639.33 2717119.67 2720040.33 2130267.67 2274034.00 2493645.33 2690245.00 2591280.00 2267779.33 2766402.67 2518672.33 2178457.00 2552085.00 2660088.33 2077361.33 2392828.00 2273338.67 2086325.00 2180496.67 2495337.33 2646975.00 2373517.67 2444110.33 2002144.00 2265310.33 2215071.33 2273995.00 2190546.33 2564838.67 2476878.67 2401915.00
Glu-Ala-Gly-Pro
5457493.00 5486964.67 5789825.67 5986879.33 4616370.33 4963215.00 5632232.00 6232813.33 5367103.33 4864230.67 5941977.00 5382420.00 4525032.33 5492646.67 5987321.67 4380987.67 5119904.67 4947087.67 4801963.00 4800599.33 5573856.67 6122385.00 5436471.67 5349332.00 4561502.00 5260841.33 4971166.00 4899877.00 4563561.67 5202737.33 5734972.67 5654599.00
Glu-Asp
142063.67 138430.33 90919.00 61626.67 135019.00 211990.67 323036.00 434999.00 153488.67 147193.00 175228.00 159540.33 153790.33 186004.00 200189.33 181823.00 8290.00 10363.00 34981.00 15007.00 - 22939.00 7614.00 4831.00 - - 29396.00 3734.00 - - - 20072.00
Glu-Ser-Thr
127625.67 168382.33 175894.33 153998.67 275954.67 187923.00 163584.67 210249.33 231610.00 184248.33 185277.33 134316.33 279169.33 194339.00 191049.00 156931.00 447331.67 344919.00 303026.67 232063.00 547757.33 522844.67 525446.00 426618.33 579702.00 333685.00 320767.00 305378.33 485853.67 458005.00 464847.33 362213.33
Glu-Thr
446991.00 288831.33 260733.67 224450.67 519062.33 616624.67 663871.33 682621.33 485237.33 372266.33 303686.33 246413.00 471127.67 453417.00 329346.67 298474.67 220159.67 288848.00 286267.00 307859.33 227673.67 289668.67 289816.33 323330.00 289288.67 276828.67 254340.67 310391.67 237417.33 294598.00 296912.33 310598.33
Glycerophosphoglycerol
247611.67 209837.00 242160.67 207809.33 216638.00 231323.33 259425.67 329968.67 230329.67 216757.33 266572.00 268883.67 230063.67 251199.00 273178.33 291968.00 43449.00 46554.00 44588.67 48539.00 41594.67 41822.67 45660.67 48248.67 47697.00 46227.00 40021.33 50060.33 44244.33 44137.00 49583.67 42404.67
Hexadecanoic acid
12612359.67 10863388.67 20638769.67 20207450.67 9997943.67 10546124.67 15708883.67 13045589.67 15267756.67 14273140.67 20191670.67 14867353.33 16915600.33 11240153.33 12570794.00 15634161.67 11010436.33 15002913.33 12119604.67 13964917.33 13090705.00 11342953.00 16636593.00 15708103.67 12613889.00 9695110.33 12352023.00 12025036.00 8278685.33 13842756.00 15479286.67 12559364.00
Hexanoic acid
443275.33 384057.67 412552.00 400309.67 347556.33 386231.00 363996.33 391345.67 409082.00 356529.33 397680.67 381682.67 395091.00 402495.33 385002.33 378018.67 421392.00 424818.00 467534.67 401416.33 395001.33 404567.33 422930.00 427695.67 498621.67 417626.33 387172.33 398373.33 380914.00 447369.67 417797.00 419243.33
Hippurate
166121.00 145409.33 187471.33 133621.33 177825.33 145621.67 153906.67 274947.00 263965.33 178060.33 172374.67 157625.33 165650.00 230824.33 171909.00 162343.00 275932.33 193969.67 216552.00 179406.33 306327.00 267526.67 217157.33 217838.33 433540.67 182633.67 204491.33 174115.00 309297.67 201877.67 187623.67 239377.00
Homogentisate
20544.00 69964.33 88371.33 97187.33 18364.00 33693.00 37588.33 25667.50 21524.00 56219.00 86309.67 97439.00 17844.00 46409.67 68999.67 92333.67 - 5319.00 5812.00 - 5716.00 - - - 7458.00 5563.00 5090.50 - - - - -
Hordatine A
461869.33 502279.67 448908.33 478206.67 450272.00 440813.67 425846.00 510928.00 478728.00 406359.33 475005.00 527081.67 478561.33 464233.67 401523.33 519840.33 535226.33 532298.33 424828.33 521707.00 534571.67 531340.00 545298.33 507920.00 559359.00 569809.67 536833.67 496965.67 588529.67 547661.33 602294.33 582948.67
Hydantoin-5-propionate
189071.67 125543.67 128298.33 120603.00 187247.00 230342.33 238259.33 273643.33 207404.33 128691.00 133590.00 142815.00 201931.67 169978.67 142876.67 137616.67 134700.67 139646.67 129240.67 137177.67 131418.00 143039.33 132144.67 135346.33 150490.33 127517.33 131748.33 133888.33 130984.00 136086.00 130906.33 137651.33
Hydroxymethylphosphonate
228878.67 242931.33 289337.67 245281.00 216989.67 217392.33 244917.67 232845.33 264703.33 237487.00 261132.67 260402.00 250374.00 244974.33 260330.33 252250.33 248927.67 220312.00 219641.67 220846.00 190722.33 178462.67 223611.33 201205.00 291521.67 207008.33 197959.67 192115.33 225555.00 193112.67 225935.67 205456.33
Hypaphorine
201951.67 200818.00 220550.00 204839.67 196406.00 190580.67 213433.00 222068.67 198751.33 176335.33 223650.67 207302.00 197605.00 200369.00 211217.00 202388.33 318293.67 341345.33 337756.33 322355.33 335024.33 345018.00 360709.00 361097.00 383543.00 322588.33 323098.67 311173.33 311212.00 332537.67 369992.00 345571.00
IDP
105844.67 109162.33 95719.00 86545.67 115016.67 101147.67 94990.67 73968.33 96005.33 95963.33 90236.00 86765.67 106245.33 102538.67 95730.00 88259.33 195423.33 229903.33 311703.00 172594.67 133814.33 219337.67 166862.33 206008.33 260850.67 246613.00 288357.00 178755.33 140572.00 209388.00 202433.33 170171.33
Ile-Lys-Lys-Met
72549.33 40301.00 104479.50 87523.00 57353.33 80177.00 57932.00 87388.67 69315.00 45247.00 82433.33 60359.33 46156.67 62259.50 84612.00 57608.33 51151.67 62300.50 59884.00 56459.00 86045.00 75512.00 67967.33 64838.67 40059.50 63973.00 61366.67 96049.33 57026.33 60651.33 74430.00 63182.50
Imidazole-4-acetaldehyde
85797.00 108173.67 105592.00 92507.00 89453.33 88464.67 98036.67 111499.00 84928.00 93705.33 106602.00 104050.33 90983.67 90169.33 93187.00 97156.00 62445.33 70775.67 72519.67 75486.33 72034.00 66989.00 73557.33 77619.33 81194.00 68126.00 77368.67 72187.67 63032.67 75677.67 69027.33 69312.67
iodoacetate
291940.00 302956.33 249440.33 297180.33 266936.67 291765.67 276486.00 292208.67 280286.00 276893.67 88329.00 132854.00 286784.67 277664.00 302856.33 308564.33 281768.33 200379.33 298431.67 321497.67 272075.33 156228.00 133129.67 188122.67 203663.00 171495.00 288847.67 272592.33 277093.33 202422.00 86823.00 284427.33
L-2-Aminoadipate
13580.67 12679.00 15171.33 8703.33 11788.67 11161.67 13295.33 12122.67 13128.00 10486.33 13796.33 12658.00 11787.33 12417.00 11545.67 11961.67 52891.67 52159.67 81607.33 68670.67 36982.67 50224.00 48943.67 78258.00 70735.00 50122.00 73229.00 56058.00 46734.33 41300.00 55935.33 62006.33
L-Ascorbate 6-phosphate
445853.33 465788.00 477314.00 491070.33 387668.00 472277.33 418942.67 421066.67 437073.67 445965.33 487085.33 471621.00 464238.67 486003.00 471290.33 478510.67 370474.00 383889.33 385522.67 379610.33 380372.67 421678.33 377723.00 405549.33 419058.33 394271.00 388100.33 351801.00 389308.00 374079.67 401690.00 380542.67
L-Aspartate
614753.33 281652.00 116188.67 90808.67 576816.67 770888.67 714035.33 471786.33 607641.33 357348.67 154935.00 112109.33 613860.00 435191.33 203638.67 133029.00 79306.33 101627.67 106016.67 99372.67 83580.00 227740.00 119049.33 133624.33 265551.33 249152.00 104722.00 116092.33 82049.00 102081.00 113602.00 117310.67
L-Aspartate 4-semialdehyde
104881.33 97162.00 111509.33 101383.33 113491.00 101466.67 93607.33 106306.50 111917.50 95902.33 110948.00 114406.00 104064.50 95550.33 106962.00 102526.67 113579.33 128491.50 111840.67 115840.33 110016.50 111840.00 116436.50 116465.00 129075.33 108641.33 116168.00 113936.00 111242.33 105668.50 114750.50 112061.00
Lathodoratin
115342.00 105962.00 100699.00 111609.67 98399.67 111824.00 117641.67 99366.33 90291.33 102134.67 116757.00 112313.67 102165.00 110304.67 96382.33 114021.67 127464.67 120307.67 137607.00 149520.67 99041.67 99704.00 126748.67 122111.00 124452.33 128561.67 127214.00 154527.67 112993.33 101783.67 116243.67 135401.33
Leu-Ala
206791.67 242281.67 235982.67 250823.33 221648.67 205032.00 269702.67 265773.00 203877.67 222061.67 256011.00 268536.33 249788.00 243474.33 215089.33 272899.33 346002.33 352725.33 349729.00 330177.33 323602.00 388481.67 369420.33 323073.33 408752.33 356043.67 344653.33 364699.33 310451.33 309054.33 390730.33 344528.00
Leu-Val-Gly
210050.33 206156.00 250194.33 235818.00 213066.00 206945.33 221906.00 275035.33 208814.00 217770.67 236651.33 213088.67 240398.67 227651.00 228871.33 231478.67 197833.00 218556.67 236986.00 226838.33 219356.33 200830.00 219291.67 206360.67 221197.33 181763.67 210468.67 195647.00 166768.67 192737.00 218834.00 235741.33
L-Fuculose 1-phosphate
47973.33 43935.67 52894.00 41549.67 46035.33 55406.67 45172.33 39240.00 41379.67 52361.67 46246.33 43120.67 47668.00 53381.00 44877.33 47319.33 50348.00 50405.67 55155.33 47826.00 49917.00 51515.33 49568.33 55360.33 64344.33 51930.00 46396.00 51516.00 46291.00 49993.00 48841.67 49935.33
Linoleate
333044.33 333551.00 375169.00 346913.00 496351.33 326251.00 296658.33 355176.00 526200.67 313604.67 490588.33 310677.33 397952.33 347872.00 321717.00 487960.00 278358.00 365309.67 364358.33 358912.00 407560.33 347757.00 424800.67 372663.00 349303.00 320021.67 383281.00 301538.67 285271.33 341044.67 453294.00 364812.33
LL-2,6-Diaminoheptanedioate
108536.33 114563.33 110367.00 108974.00 98349.00 111523.67 105747.67 101751.67 116746.00 107539.67 114639.67 107964.33 113443.67 106279.33 101968.33 99111.33 203052.00 194581.67 195751.00 186698.33 201247.00 204245.67 190192.67 165595.33 244484.67 190965.00 174028.00 186035.00 208635.33 200228.67 203063.33 197598.67
L-Lysine
162204.00 126246.67 126871.33 139012.00 166870.33 167356.33 184802.67 259132.33 161856.00 137667.00 145750.33 147091.67 171749.67 181368.33 151065.33 162397.67 120269.00 123442.33 130036.33 146661.00 120416.33 118315.33 125132.33 138436.67 135622.00 131481.00 121338.33 134148.33 109072.67 107108.67 130839.67 134108.67
L-methioninamide
256683.33 298606.00 298837.00 315248.00 303248.33 259289.00 256895.00 332327.33 281497.67 297050.00 305032.33 266946.67 294473.00 292770.33 302726.67 272648.67 73806.33 81460.67 75391.00 80850.67 92194.00 67954.67 74721.67 86637.67 96471.33 75042.67 68323.67 89918.00 69723.67 68765.33 77777.33 82767.67
L-Tryptophan
104242.00 17605.33 20936.00 25397.00 18132.67 17966.33 16617.00 19761.33 28025.00 17401.33 57272.33 65055.67 24234.00 18130.00 19390.00 15853.67 101153.00 21319.67 20626.67 16726.67 18144.33 59919.67 23872.67 21687.67 236979.00 15022.33 19224.33 56754.67 16334.67 24573.00 22892.33 26183.67
L-Tyrosine
132198.33 133401.33 177940.67 139032.00 138139.67 131863.33 139231.67 147350.33 156365.67 123026.33 158337.33 144402.00 139270.67 130225.00 136909.67 121953.00 157626.33 151808.67 155032.67 106514.00 160997.33 168273.33 142896.33 152327.00 153253.33 152757.33 140734.33 116502.00 140677.00 150164.67 157104.33 167154.67
Lys-Lys-Trp-Pro
165465.33 105504.67 84520.67 44006.67 123069.33 97961.67 89979.50 18933.00 150903.00 77053.00 47529.33 16993.00 160513.33 74374.00 43169.00 21622.00 147540.33 162053.67 200373.00 136681.33 200739.00 258066.33 147206.33 213916.33 170500.00 188696.00 183722.33 152814.33 190405.00 181856.00 191530.00 236568.33
LysoPE(16:0)
113509.33 52935.33 72671.33 55166.00 50796.00 55358.00 88150.67 71311.67 82078.33 38582.67 78058.00 44382.33 85522.33 94407.00 63769.67 68393.33 97955.00 70207.67 75227.00 59883.33 56849.67 103732.00 127451.00 82810.67 181275.00 49402.67 109308.33 74520.67 45874.33 76925.67 64707.33 68731.33
Margaroyl-EA
94965.33 117060.67 135693.00 144428.33 157361.67 107067.00 158782.33 102694.67 252757.67 404357.67 104234.33 90945.00 92640.00 110952.00 88075.00 164448.00 99378.00 64758.67 44981.00 77446.00 91273.00 105534.00 227546.33 78910.33 39757.00 55513.00 62320.00 64278.67 302806.33 88529.00 129331.33 73914.00
melibionate
83244.33 71726.33 71386.00 73289.00 75544.67 79146.33 79935.33 79880.67 73858.00 80248.67 68923.00 71334.67 83379.67 77411.67 72393.00 73286.67 82921.67 79666.67 85831.67 80776.67 86905.33 84844.67 80166.00 89109.67 101781.33 91087.33 81142.67 86434.00 82451.67 78907.67 82607.67 85845.00
Metazocine
73911.33 57576.33 66280.33 67158.33 47819.33 53177.33 57992.33 58011.00 55876.33 58096.00 53053.00 56115.00 62022.67 57555.33 57400.00 56996.33 61311.00 49901.33 52531.67 50124.67 59294.67 63068.00 52197.33 65023.33 42528.67 65129.00 57240.00 52618.33 61619.67 69389.00 58131.33 66751.33
Methacholine
77031.67 82989.67 83536.67 82156.33 69548.67 80208.67 79583.00 86879.00 82403.00 80859.00 86708.00 86962.67 81288.00 78996.33 85768.33 83988.67 100537.33 103347.00 101838.67 104842.00 94561.00 101797.67 105367.33 103920.67 103303.67 102280.67 92421.67 97347.33 97072.67 102355.00 100755.67 104381.67
Monomethyl sulfate
186932.00 195449.67 194197.00 195307.00 169089.33 183531.67 162794.33 196463.00 196614.67 166070.67 179624.00 188164.67 189227.67 179961.33 178698.33 179552.00 225751.67 248891.00 194840.33 227928.00 258854.33 226790.67 221842.33 229719.33 260600.00 212768.67 197287.33 208417.67 234346.33 247955.67 224145.33 219873.67
Muramic acid
238428.33 246095.67 260789.67 240043.00 236369.33 239263.33 240030.67 265956.33 244472.67 234232.33 258189.33 264219.33 258493.00 254255.67 249674.67 260597.00 291622.33 303730.00 339715.33 309913.00 339393.00 337747.33 372371.67 357057.67 359866.00 299758.67 312887.33 306345.00 342268.00 331654.33 354147.00 327166.33
N-Acetyl-D-fucosamine
262293.33 251357.00 261959.33 257836.00 229379.00 240968.67 45064.00 253439.33 233540.00 243583.33 236307.33 239799.33 221843.33 261901.00 238524.33 248397.00 324094.00 337524.67 352629.67 334108.00 317488.67 344495.67 347509.67 336175.67 418646.33 323024.00 325270.33 337129.33 321723.00 334698.33 323594.33 342686.67
N-Acetyl-D-glucosamine 6-phosphate
109301.33 129038.00 121672.67 119681.00 117409.33 118261.67 117239.67 132183.67 114512.67 111259.00 118177.00 120567.67 111140.67 125068.67 116227.33 123449.33 148655.33 137152.67 152445.67 143714.67 137567.67 160617.00 145410.00 146901.67 162403.00 139227.67 132681.00 132479.33 144586.67 145553.00 165251.33 155448.33
N-Acetyllactosamine
67626.00 70239.00 77867.00 65965.33 67060.33 65118.67 74638.33 81698.00 64770.33 68512.00 73095.33 78293.67 67876.00 74154.00 70203.67 72671.00 81121.00 82291.33 74339.33 81833.33 78220.00 79212.67 88817.33 84958.67 87345.67 79189.33 78647.33 84853.00 75004.33 86678.00 86860.00 87806.67
NADP+
218160.67 220921.67 233709.33 202576.00 177577.67 213329.33 233275.67 218384.00 193217.00 190195.67 226773.33 224319.67 230217.33 226011.67 239487.33 230731.67 246968.00 276049.33 423527.67 295591.00 248362.67 310603.33 267655.67 386354.00 328920.33 273726.00 300280.33 274191.00 259551.33 256725.00 282284.33 296269.67
N-Decanoylglycine
75606.00 73869.67 74359.67 81323.00 52376.00 65453.67 71391.33 73600.33 68069.67 50684.00 67867.00 68997.67 54013.00 56293.33 73262.67 62914.00 70210.33 58206.00 63918.00 71913.67 83555.00 70853.33 62006.67 57887.00 59689.67 77689.67 52953.33 70313.33 49441.00 59697.33 76377.67 68564.67
N-Dimethyl-2-aminoethylphosphonate
144304.00 129760.00 146117.00 130924.67 124137.00 118146.00 163192.33 144888.67 136707.33 119094.33 142871.67 137868.33 129871.00 150861.67 122749.67 129907.67 121254.00 140036.67 126467.00 145808.67 138924.33 136926.00 134412.33 147174.33 138002.67 127165.33 138029.00 152201.67 119732.67 124824.67 158005.67 123392.00
N-Ethylglycocyamine
86692.33 87589.67 91924.67 87085.00 79156.33 91925.67 85115.67 90618.00 88873.33 82591.33 95135.00 91222.67 88294.33 89417.33 86719.33 85029.33 114854.33 113995.67 111388.67 113292.33 108967.67 118448.00 119772.33 124383.33 114555.33 115546.67 108222.00 113154.00 111671.67 113878.67 119292.67 122312.33
N-Formiminoglycine
644992.00 678471.00 711613.00 752012.67 664384.00 703348.67 717850.00 764327.33 719903.67 618376.33 764772.00 663732.00 636955.67 691345.67 777644.00 629442.33 652460.67 661520.00 733475.00 645641.00 678499.00 733976.67 640115.67 709846.00 620870.67 736350.67 698758.33 644948.00 693619.00 743359.67 819386.00 655314.33
Nicotinate D-ribonucleotide
377765.67 486486.00 689646.67 944538.33 374768.00 395731.00 397135.00 461192.00 388077.00 416731.33 617191.33 841815.33 404070.33 449922.00 551812.33 731835.33 8437.33 15191.67 10679.67 10473.00 6295.00 13982.33 9523.00 7718.50 6233.67 12048.67 11826.67 6829.33 7931.00 15394.00 13653.33 6329.50
N-methylisocyanurate
65286.00 37437.33 50079.67 19845.33 45631.67 37982.33 42483.33 43048.33 69972.00 38110.33 41628.33 36599.00 30907.33 36729.00 40203.67 37074.00 45815.67 41846.00 32800.33 61665.00 27266.00 37991.33 65410.67 26429.33 57370.33 47081.67 61346.33 33603.00 80704.67 57218.00 48011.33 33444.67
N-Nonanoylglycine
116315.00 99275.33 115093.33 104220.00 70278.67 108612.00 102667.33 108240.33 84119.00 80977.00 70987.00 104715.33 84771.00 77711.00 95325.00 85833.33 81909.33 98318.33 73393.33 87914.67 97419.00 110796.33 92240.00 112587.33 78410.33 96986.33 99269.67 104253.67 74366.00 100675.67 85608.00 98418.00
nonulose 9-phosphate
105106.67 120354.67 129278.67 122998.67 111418.33 116282.33 118400.00 116379.33 110631.33 106051.33 119463.33 128448.67 122650.33 124890.67 122896.33 127726.67 114339.33 125023.67 150473.67 149287.33 111951.00 138347.33 133884.00 165693.67 150631.33 124668.00 134160.33 140399.00 114501.33 112647.67 142011.00 143047.67
N-Undecanoylglycine
917466.33 1170734.67 954719.33 1022661.67 771185.00 960305.33 959852.67 1131947.33 660497.00 848861.33 1205367.00 1081534.33 655803.33 1187571.33 833543.67 1311398.67 783444.67 813983.67 892942.00 1198768.67 626788.67 747497.00 1211882.00 1179869.33 876952.00 728735.33 932133.67 1190727.67 696202.33 914641.67 941347.67 1159307.67
O-Acetylcarnitine
23021.33 19323.33 33453.00 54638.00 23597.67 33989.50 58993.67 134203.00 25701.67 28223.00 37799.67 59300.67 30683.00 30021.67 50504.67 60618.00 17585.67 7948.67 16639.00 20654.67 22365.00 9203.67 13799.00 20349.67 27973.33 12938.50 13081.33 19860.67 17153.00 11064.00 14278.00 18921.33
Octadecanoic acid
11687406.00 11635030.67 17955067.67 20140254.00 9869644.00 11135215.67 14148767.67 12326828.00 14486864.33 12496379.67 19140651.67 14345490.33 16811900.67 11003961.67 13913857.33 14493598.67 11128084.33 14462244.33 13164770.33 14318919.33 13713820.00 12138761.33 14952934.67 15468612.67 13508401.00 10302046.00 12878105.33 12502669.00 9301739.33 14604366.33 14687180.33 12888645.33
O-glucosyl-tomatidine
50988.33 55277.33 78167.00 63397.33 65672.67 67094.33 57691.00 77534.67 93953.00 54042.33 67837.67 80590.33 56995.00 44389.33 61640.67 54118.00 78893.33 75663.33 59772.67 90242.67 69246.00 114441.67 81252.67 78415.33 42461.00 79911.67 78037.33 66267.33 69911.00 82317.00 59628.00 84346.33
O-Phospho-L-serine
25022.33 23374.00 14204.67 7892.33 25601.00 42486.33 67551.33 101921.67 24941.67 28485.67 21736.33 21074.33 27172.33 29007.33 31494.67 24959.00 - - - - - - - - - - - - - - - -
Orthophosphate
933771.00 1221118.33 935266.33 1207764.00 864775.00 895297.33 1226662.00 1257760.00 902426.67 867199.33 1000415.00 910944.00 1245239.00 982142.00 1238006.67 1213829.67 1062449.33 1131725.33 1514253.67 945282.67 923121.33 1008845.33 870857.33 1444346.33 1154872.67 1047169.33 1317423.00 1103634.33 1014491.67 987218.00 1005387.67 1138932.67
Ovothiol B
31596.33 17219.33 60202.67 18457.33 18497.00 16586.33 77139.33 23841.00 18523.00 20109.33 43924.00 20192.67 17913.00 44074.00 19798.00 51833.33 111550.33 25689.00 237074.67 47365.00 23261.33 173270.00 129609.00 73264.33 209254.33 23343.33 139787.33 46577.33 34855.67 27620.33 25439.00 57994.00
Oxalate
127579.33 132823.33 117864.67 130200.33 109761.00 119436.33 113185.33 142026.00 127475.33 124263.00 125058.33 128902.00 128711.67 125838.67 125528.33 118209.67 115919.00 127059.33 137297.00 124262.33 127688.00 149403.00 110285.33 132898.00 138376.00 122510.00 123032.33 114171.00 118104.00 136028.00 98891.33 119459.00
PA(34:1)
361208.33 357425.00 326428.67 403691.00 259920.67 320829.00 312943.33 305527.33 278253.67 306730.33 301227.67 359766.00 296699.33 296657.00 344926.00 338837.00 238997.33 248857.33 198816.00 261014.00 256314.67 248241.33 259929.33 314545.00 202683.33 243131.67 242848.00 233700.00 210343.33 270872.67 267967.33 300343.67
PA(34:2)
283015.33 280763.00 255580.00 315048.33 190438.67 247287.00 253912.00 243369.67 214854.67 236963.67 243325.00 286270.00 254510.67 231509.67 253619.00 258260.00 205968.00 242345.33 171737.67 214814.67 220300.33 219067.67 224094.00 281077.67 181042.33 228430.00 206802.33 210612.00 195499.00 240982.00 227793.33 263422.67
PA(36:1)
118084.67 110381.67 102683.00 127111.67 93173.67 105214.67 119571.67 106154.67 90475.67 95114.67 112392.67 108907.67 98643.33 87453.67 117856.67 94799.00 74697.67 77566.67 54354.33 69660.00 78676.67 69162.33 75364.33 81540.67 52749.00 72263.00 68735.33 68037.33 67570.67 78519.33 78292.00 88306.00
PA(36:2)
166980.67 177146.67 149641.33 191858.33 127278.67 140226.33 162555.00 146953.00 128936.67 128804.33 150781.00 153362.67 139064.33 127841.00 148824.00 141130.00 108736.67 129607.33 85691.67 101144.00 114037.33 107581.33 115443.33 136679.33 84163.33 110224.00 106498.33 102946.67 93604.67 119884.67 117742.00 135281.33
PA(36:3)
100813.33 107998.33 99838.67 113132.00 80079.67 101767.00 105563.00 96815.00 85350.00 82581.67 92500.33 107689.33 91148.00 93377.33 90557.67 91651.33 74478.00 87192.67 60594.67 74826.00 61704.33 78014.00 79482.67 108210.33 66039.00 75689.33 65449.67 81129.67 68768.33 80993.33 74948.67 92187.67
PA(36:4)
167577.33 143903.00 128876.33 153931.33 115409.00 140124.00 140801.00 124727.67 118190.00 124889.00 132692.00 144352.33 140332.00 116634.33 135398.67 148170.67 132651.33 129633.67 98848.33 127988.00 128077.00 129213.67 138916.00 171735.00 120261.00 116015.67 124656.00 127575.00 107879.67 134285.67 134577.67 139560.00
parabanate
264697.00 299347.00 143729.00 172783.50 285006.33 256159.33 156264.00 243185.00 183709.33 213038.33 169982.00 236047.00 140493.00 228781.00 280598.00 367439.00 219977.00 175184.00 178654.00 130821.67 151613.00 184106.67 203533.00 127135.50 316549.00 152299.00 329924.50 188234.50 297577.00 122473.33 432408.67 181976.00
PC(17:0/14:1)
219064.33 224557.00 262296.67 216568.00 182042.67 236675.00 206082.33 277372.67 234790.67 198462.00 236451.33 220479.00 211476.00 233391.00 251164.33 252976.00 127474.00 133857.33 121803.00 149006.67 155015.33 147525.67 142702.67 144486.00 107162.33 129114.00 152998.67 142587.67 129471.00 139430.33 154703.00 176216.00
P-DPD
504926.67 522115.67 585877.67 557602.33 498593.33 535033.00 516842.67 590174.00 537200.67 508769.33 571290.33 551354.33 509179.67 514514.00 557559.33 544384.67 428461.33 408485.67 423876.00 396716.00 410138.67 413147.33 393461.33 402699.67 557474.00 385469.67 391074.33 389902.67 416803.33 386020.67 414403.00 388791.00
PE(30:4)
221845.67 237091.00 175873.00 192590.33 200660.00 189401.00 152439.33 211061.00 251256.00 226413.33 222110.67 179973.67 189072.67 164229.67 227738.00 144474.33 162465.00 177300.33 95833.00 165846.67 271030.67 233583.33 222291.00 158593.33 84975.33 179161.33 158475.33 217371.00 300502.67 191267.33 151668.00 213090.67
PE(36:3)
61690.00 78118.00 75075.67 81626.33 65618.67 70675.33 75085.00 101862.67 73334.33 75021.00 77951.00 76658.33 64462.33 71145.67 81489.33 70400.67 52737.00 59566.67 51297.33 66668.67 62074.67 56937.00 58312.67 59134.00 50778.33 58264.33 53491.00 57458.00 54225.33 57340.67 69009.00 57755.67
PE(38:6)
184339.67 157799.00 209435.33 156808.33 151911.67 213039.67 146995.67 209337.33 200141.00 170767.33 198223.00 144916.33 190114.67 178177.00 144538.67 180678.33 167786.00 211432.00 213120.00 191571.67 191969.67 187487.00 307126.67 248852.67 232445.33 174628.00 181395.00 187360.67 197521.00 230364.67 238692.67 194717.33
Pentanoate
1016402.00 970996.33 1045472.67 969739.67 943038.67 987095.33 969697.67 1083139.00 1094018.00 849255.00 965960.33 918098.67 884815.67 974995.67 1033112.00 870634.67 941318.00 1042687.00 1030507.33 884235.67 1018846.00 1150950.33 920476.33 955560.67 874561.00 998838.67 1044140.67 963257.00 947302.67 1034579.67 1002146.00 1081835.00
PE(P-40:5)
116450.33 111325.33 124480.00 135456.33 99316.00 142942.67 104386.33 146214.33 134554.67 114951.67 115966.33 108451.33 130280.33 110264.00 102204.00 119216.00 117041.00 145919.33 135335.33 132648.67 139327.33 133097.00 170632.33 163325.00 146787.67 128107.33 119170.00 119503.00 139048.00 164017.67 144760.00 134942.33
PE(P-40:7)
57101.33 58633.67 67476.00 73052.67 34629.33 74892.33 57964.33 74961.00 61411.67 60049.00 64159.00 57146.67 66262.00 58325.67 59690.00 69378.33 56061.33 66319.00 72784.33 57818.67 59063.33 54990.33 86518.00 68885.33 69983.00 60245.67 55950.67 55943.00 59093.67 69769.33 66808.67 58406.00
[PG (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1^-sn-glyce...
26614.67 35044.33 37145.00 45437.67 30512.00 64192.67 77397.00 109482.33 40229.67 38645.33 62886.67 71554.00 34794.00 51788.67 71723.67 73423.33 - - - - - - - - - - - - - - - -
PG(34:1)
109762.00 110581.00 106517.67 109364.33 85421.00 163129.67 248133.67 422782.33 134871.33 128215.67 113729.00 129258.00 117609.67 119988.00 151966.00 135519.33 64005.33 62672.33 61381.67 61169.00 60492.33 55141.00 84510.67 73663.33 67377.67 58366.00 59844.67 62198.67 64789.33 65536.67 67596.33 63322.00
PG(36:1)
118465.00 94333.33 97967.00 115937.00 86477.67 160693.33 202473.67 257571.33 157834.67 119175.67 100929.67 122633.33 129121.67 115025.00 130400.33 125634.67 73546.33 90492.00 95853.00 80327.00 84179.33 87446.00 113001.67 89880.00 83279.00 88581.33 75472.00 78284.33 90503.33 98131.33 86557.00 83021.00
PG(36:2)
136140.67 146709.67 172085.67 166885.67 107372.00 206682.00 292842.33 473885.33 189374.00 198378.33 184737.00 235819.67 159145.33 166936.33 234714.67 225726.67 34872.00 34641.33 33207.00 31837.67 30969.67 36775.67 42400.00 30502.33 41521.67 32115.33 31598.00 35083.00 29644.33 36989.00 34964.67 31088.33
Phenolsulfonphthalein
118001.00 133671.67 142868.67 146638.67 111664.00 128514.33 136080.00 180101.33 122280.67 112624.00 150086.33 131374.67 112858.33 133544.33 135013.00 149849.00 139458.33 141070.00 170988.00 152674.67 146891.33 148829.67 147831.67 139238.67 220710.33 124880.33 134894.67 142794.67 140329.00 150375.00 161743.00 125473.33
Phosphodimethylethanolamine
29935.33 88591.33 146018.33 131505.33 33042.67 54832.00 54364.67 41387.67 34693.33 88217.67 119492.67 161723.67 26954.33 75669.67 122891.33 144610.33 8257.00 11508.00 10046.00 - 7377.00 7958.00 9630.50 9374.00 - 7427.33 9313.00 9165.00 8959.50 8215.50 8994.00 9704.00
Phosphoenolpyruvate
155108.00 260357.67 263275.00 242078.33 137239.00 277319.33 270425.33 214122.33 154845.33 240895.00 286308.67 261665.67 170770.33 284245.67 273677.67 267081.67 147503.00 237148.00 359675.00 270077.67 160295.67 279837.00 272789.67 342462.00 189972.00 247197.00 276890.00 274714.33 166093.00 273647.33 267522.67 278637.67
Phosphonoacetaldehyde
55687.33 192492.00 280340.33 292107.67 51251.33 108313.00 99818.00 82236.67 57000.00 156135.00 275347.67 315374.67 54640.33 155567.67 233528.33 295845.33 9308.50 17475.00 22806.00 13162.00 9488.33 10298.33 9186.50 10668.00 9037.00 8943.67 7981.50 8526.00 9883.00 11069.33 13990.67 9571.00
Phthalate
243425.33 216041.67 236191.67 230974.67 236025.33 241256.67 233999.00 245875.00 233687.67 239170.67 231403.67 248135.33 244233.67 232082.67 238654.67 240784.33 226077.00 247416.00 230844.33 230651.33 204711.67 250514.67 235443.67 212945.67 232461.67 240307.00 212213.33 232839.33 229843.67 255396.33 248191.33 236662.33
Phytuberin
693433.67 735550.67 754010.00 761900.33 702064.67 682212.67 669486.00 758387.67 697167.00 680834.00 713468.33 739564.33 681695.00 717803.67 725611.67 715840.67 670210.33 685263.00 729073.33 715438.67 747733.00 690141.33 707558.00 701070.67 699347.67 694015.67 697337.33 688854.67 692359.00 727087.00 765917.33 721099.00
PI(36:1)
124783.33 146368.00 99383.00 120255.00 97166.67 126973.33 183511.00 256427.00 94838.00 107163.67 130256.00 156540.33 121537.67 109432.00 153159.67 136862.00 22568.00 24814.33 17497.33 24686.33 18327.00 24352.33 22986.67 24219.00 13310.33 19821.67 19822.33 20998.33 19743.33 25537.00 26797.33 30523.33
PI(36:2)
81603.33 96052.67 78389.33 82247.67 60879.33 94389.33 120928.00 163834.00 64112.67 78739.67 82817.00 106451.67 83969.00 74878.00 104875.00 94582.00 35689.67 44423.33 33583.67 42138.00 37454.00 32518.00 38229.33 50394.67 29511.33 40252.67 40560.33 30972.67 32068.00 39357.00 42074.00 46906.00
PI(36:4)
72716.00 69620.67 61327.00 79663.67 47597.33 60289.33 64702.67 58037.67 52994.00 58738.67 55824.67 78399.00 60134.00 57968.00 57625.67 63510.33 64225.67 77030.67 57961.00 77699.00 66738.00 77701.33 73376.67 102075.33 58901.67 75743.67 71870.33 65399.67 57144.00 88199.00 80812.00 95352.33
PI(40:3)
322670.67 326089.00 331775.00 355776.33 328792.00 306230.00 323381.33 408243.67 342942.33 328939.67 295889.33 335690.33 339018.33 345991.33 367527.67 302885.33 212835.33 219252.33 239801.33 225729.33 277474.33 241059.00 206995.33 223959.00 235737.33 225663.00 207772.33 220017.00 183442.67 226155.33 201974.67 218914.33
[PR] 1^-Hydroxy-4-keto-gamma-carotene glucoside/ 1^-OH-4-Ket...
38249.33 50898.67 52758.33 55646.00 36993.33 67339.67 95533.33 155395.00 58041.33 66545.33 59743.33 67086.00 46368.33 55860.00 72405.33 59777.00 - - - - - - - - - - - - - - - -
[PR] 4-Hydroxymytiloxanthin
541108.00 533936.67 498824.67 566620.67 514809.33 481232.67 474382.00 541816.00 544408.67 446026.67 525467.00 590282.33 525234.33 551930.33 552757.67 502327.33 511277.33 563549.00 523281.00 503917.67 582512.00 536634.33 585082.33 525980.33 672128.00 519454.67 492528.00 458834.00 500986.33 597708.00 566117.67 549742.33
[PR] Abietic acid
59914.00 49507.33 40466.00 25734.00 30703.33 22541.33 23384.00 16304.67 28649.67 57920.67 23391.67 18943.00 62339.67 79099.00 31328.33 31332.67 30543.00 42081.00 57941.00 37498.33 27093.33 36574.33 72138.00 34373.00 64320.67 26679.67 39946.33 40096.67 18198.67 65095.67 26585.00 30861.67
[PR] Iridotrial
9021.67 16528.33 10823.00 21048.67 16232.00 14956.33 15795.00 12558.33 203956.33 26118.67 26148.67 23622.67 26735.67 48762.00 22276.33 16626.00 20729.00 16045.67 16235.00 10386.67 14225.33 12484.33 13724.00 11414.00 251155.67 128423.00 102672.67 98563.00 20919.00 31037.67 33619.33 29720.00
[PR trihydroxy(2:0)] (-)-8alpha,15-diacetoxy-4beta,9alpha,14...
23626.00 27146.00 27299.50 17296.00 42205.00 22748.33 21875.33 19485.33 24370.67 25683.50 34251.50 31847.50 28143.33 23669.00 27961.00 21925.00 73720.67 60589.00 40617.33 75545.33 65727.00 59911.67 70321.67 58811.67 39494.00 50682.33 48496.00 52374.67 44699.00 66548.67 54613.33 51296.67
PS(18:0)
70900.33 34824.33 37776.67 31430.33 35074.33 34509.33 50089.33 43497.67 45636.67 26420.33 44640.33 26711.67 48088.00 41349.67 36427.33 36655.33 52565.00 47140.00 48766.00 38888.00 36063.33 63120.33 45470.67 45255.00 89637.33 35461.00 53426.33 38302.67 33146.67 48286.00 40897.67 37124.67
PS(38:4)
58392.67 79465.00 64436.00 62571.67 61832.33 54133.00 65436.67 75300.00 63840.33 60057.00 62660.67 61855.67 68140.33 71173.00 70098.33 67069.00 60166.00 73511.33 59464.67 74460.33 71894.00 72840.67 74236.33 76447.33 65460.33 73070.33 66273.67 66047.67 68063.67 64335.67 81419.00 84584.33
PS(40:4)
495626.00 529564.00 484547.33 560829.33 353240.67 436309.67 575487.33 444545.00 456137.33 510825.33 450517.00 519419.33 431106.00 368075.00 484328.33 452290.00 601897.00 627999.00 433342.67 546729.67 541036.33 543303.00 546700.00 745867.67 375460.00 480902.00 505176.33 457999.00 453439.67 593721.67 609293.33 690500.00
PS(O-16:0/22:1(11Z))
128808.00 124339.00 131184.67 122964.00 125354.00 122978.33 148904.67 156282.00 110369.67 127257.00 111338.67 129078.00 113947.67 135182.00 135121.33 129804.67 55929.67 68387.33 64170.00 67978.67 69239.00 68935.33 73774.67 64877.67 70959.67 66643.33 64656.00 56444.00 57391.33 62460.33 72118.00 63667.67
PS(O-20:0/0:0)
265109.67 163829.33 123773.67 70506.50 193913.00 178136.33 88117.67 41111.33 266739.00 136297.00 84131.67 32174.50 243141.67 118309.00 93030.33 28770.00 223054.67 225590.67 320406.67 190320.67 361954.00 377322.67 226738.00 325214.00 237624.33 319023.00 260336.33 272722.00 281317.00 303383.00 291736.00 426295.00
PS(O-36:1)
229259.67 272459.67 281554.33 257990.00 239097.67 284192.33 299151.33 425467.67 265411.67 266770.33 295768.00 272149.00 248387.00 280630.00 337599.33 287971.00 253896.00 223966.67 175831.67 238432.67 169439.00 227464.33 200499.67 218951.00 195814.67 200085.33 206981.00 214289.00 241322.67 220772.67 224238.33 222354.67
PS(O-36:2)
217984.00 240074.00 233393.00 250591.67 300988.33 217831.33 212579.67 304689.00 224486.33 242622.33 419558.67 217806.67 223469.67 269908.00 438656.33 337617.00 439571.67 249812.33 290090.00 441495.00 323193.67 420638.33 308893.33 290797.67 250059.00 574948.00 391773.00 363371.33 341894.67 316175.33 335367.00 467605.33
Psychosine
47732.00 48338.33 58824.33 54789.33 40579.33 47501.67 46188.33 50318.00 48455.33 47149.67 51077.00 49073.67 53004.33 61043.00 44689.33 52381.33 89889.67 87427.00 113781.33 98803.00 102768.33 98698.00 110650.33 105769.67 132034.33 93772.00 87436.33 82788.67 90236.00 95759.00 96756.67 96760.33
Psychotrine
99169.67 96549.33 97489.00 112511.67 93949.00 84996.33 101304.00 88847.33 96000.33 104648.67 102724.00 107743.33 89560.00 76628.33 100926.33 88592.33 74601.00 85779.67 77044.67 71801.67 73857.00 73258.00 74947.67 84902.67 84835.67 79375.67 71184.67 73810.33 79278.00 61986.33 85436.33 73120.33
Pyrazinamide
54719.67 82185.00 68468.00 65592.67 71791.33 72904.00 46156.67 51091.33 81773.67 32379.33 53894.00 31261.00 35152.67 39521.67 40896.33 45769.67 45981.00 53165.67 47008.33 60970.67 48851.00 67462.00 53437.67 60261.67 60845.33 33791.67 49325.67 42522.00 37863.00 42513.67 47471.33 80766.00
Pyruvate
83916.00 89371.67 89681.00 94022.00 110320.00 93618.67 101073.67 89259.00 87033.33 100016.00 97718.67 85534.33 109002.67 90221.67 94843.67 92461.00 154294.67 140970.00 138066.33 123180.33 169080.00 167233.00 189491.67 167142.00 168826.33 133159.33 133583.67 143187.00 158050.33 160577.00 174189.50 158153.00
Quinalphos
57190.00 26302.33 29506.33 29916.67 24242.33 21330.00 19433.67 29423.33 29949.67 20659.33 42949.33 51303.33 34897.33 24623.67 26760.67 22297.33 57210.33 28834.67 22755.00 19337.00 27426.33 47351.00 27103.33 33304.67 134133.00 17886.67 22526.67 38697.00 22064.33 27129.00 32920.67 30954.00
Retronecine
456104.67 461904.00 522691.00 594216.33 384676.33 466044.00 419915.67 444356.00 486588.33 418030.00 519535.67 435142.00 427613.67 502401.33 520770.00 408412.00 461646.00 412482.33 418763.00 421149.67 490856.67 504281.67 490700.33 485390.67 377449.00 395097.33 392745.00 454155.67 429147.00 484823.67 444306.33 495676.67
Rishitin
130939.33 131474.00 139984.00 141927.00 123942.67 128217.67 128301.67 140195.67 121856.67 118830.67 135206.67 137332.00 136095.00 127655.33 130656.00 128459.67 131518.00 129316.00 129028.00 125471.33 139393.33 127711.33 132607.33 130056.33 132545.67 120636.67 131662.67 117644.33 121418.00 139884.33 130291.67 120895.00
(R,R)-Tartaric acid
69544.00 70554.67 69981.00 68975.00 66524.67 66044.67 67263.33 72937.67 76159.00 62272.67 68287.67 65416.00 72142.33 64705.00 68337.33 64550.33 79452.67 73801.00 75077.00 88537.33 66151.00 89907.33 70549.33 85205.67 85057.00 75750.33 71712.00 75051.00 71657.33 72451.33 77601.67 76267.33
Rugosinone
55254.00 64303.67 63647.67 58781.67 46612.00 49413.33 53146.00 53234.67 61878.00 70039.33 56859.00 62928.67 54696.00 60603.67 57545.67 54831.33 71960.33 60185.00 46819.67 43409.67 50512.33 42907.00 57670.33 39570.00 53267.00 58150.33 45887.33 44228.67 53099.33 53969.67 51626.67 46213.67
(S)-2-Aceto-2-hydroxybutanoate
200594.67 168381.00 210525.67 160863.67 194662.00 165171.00 150991.00 220515.33 206886.00 155436.33 152774.67 207598.33 186306.33 179832.67 142686.67 159740.67 183778.67 171848.00 161228.00 171627.33 174337.00 173197.00 168008.67 182849.00 165865.33 160795.00 174761.33 200660.00 187313.67 170218.00 168626.33 173815.33
(S)-2-Acetolactate
210798.00 180279.00 235542.33 266100.67 248453.00 230064.33 274545.33 277338.67 233612.33 267459.67 176344.33 278540.33 268137.00 239424.67 276201.33 314295.00 347259.33 275494.33 336985.33 250560.33 403145.00 419818.33 478262.00 382155.67 344977.67 303172.67 307592.67 333692.33 277303.33 343346.67 402474.33 353174.33
(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate
65548.00 58087.33 65567.00 65161.00 61855.00 65715.67 71801.33 76907.67 60937.33 59207.00 68704.33 60197.33 65010.00 71014.33 65509.00 78403.33 92066.00 99016.00 92950.67 116247.00 106010.67 101101.33 91093.33 116122.00 104483.33 95422.33 111551.00 108392.33 97751.00 105375.00 95352.33 117321.00
(S)-AMPA
45291.00 43825.00 42490.00 51229.33 48377.33 47564.67 51051.33 55410.33 46971.33 39726.00 52321.00 47943.00 50125.33 44817.00 48003.33 50894.67 59035.33 69244.00 64872.00 72288.33 66916.33 71618.00 63221.33 79915.67 70170.33 62943.00 70318.67 76613.67 68641.00 65534.67 75716.33 64812.33
Sanguinarine
60708.00 64474.67 60454.67 60717.33 52574.00 50995.67 65433.33 59871.33 53089.67 61849.33 67362.33 60643.00 56104.33 64134.00 62774.67 71658.00 95455.67 91904.67 102841.33 70099.67 78100.67 91946.33 82338.67 90624.33 127685.00 77572.33 78340.67 78620.00 81696.00 82455.00 78796.67 74038.33
S-Methyl-5-thio-D-ribose 1-phosphate
32418.33 17613.67 22110.67 16519.33 35264.33 38616.00 80954.33 97943.33 31382.00 18345.33 27233.00 24078.33 34642.67 25408.67 29175.33 38237.33 - - - - - - - - - - - - - - - -
sn-glycero-3-Phosphocholine
61088.00 64878.00 64736.33 56254.00 51078.00 62739.33 59135.00 73269.00 56837.67 59451.33 73861.00 65649.00 58191.67 66388.67 64406.33 58818.00 51827.00 55141.67 55448.00 63005.33 55368.00 54537.00 51895.67 67891.33 56726.67 51888.67 56198.67 57286.33 47060.00 63152.33 58828.67 65330.00
sn-Glycerol 3-phosphate
2006922.67 2616821.00 2683473.33 2486463.67 1916960.67 2736181.67 2576617.33 2503930.67 2067571.33 2546212.67 2689431.00 2500207.00 2032241.00 2679546.33 2598726.33 2427341.33 12833734.00 13262356.67 13179712.67 13846786.67 12913685.00 14032148.67 14504222.33 14442871.67 13762964.00 12829521.33 14163346.67 15065877.67 12499686.00 14001514.33 15259483.00 14081118.00
sodium dodecyl sulfate
108677.00 83588.33 85646.67 179446.00 67079.67 72807.33 73384.33 78265.67 119421.00 101695.33 106262.33 95462.67 96784.33 145250.33 215098.00 89804.00 70444.33 159683.33 73238.33 98087.67 119650.67 93523.00 92553.67 79270.67 407854.67 84824.00 79489.33 63958.33 65904.00 125821.00 88642.67 83498.67
[SP (24:0)] N-(15Z-tetracosenoyl)-sphing-4-enine
47175.33 53008.33 56525.67 56036.33 48119.00 59808.33 42276.00 73537.33 54473.33 51924.67 53985.33 48271.33 50137.00 49467.67 53559.67 47400.33 44117.33 53600.67 42294.00 52284.33 65809.67 54490.67 63287.00 55819.00 35059.00 49373.33 44650.33 44204.67 55529.67 55450.00 59095.00 56672.67
Spongipregnoloside A
26032.33 38529.67 43873.67 32935.67 26644.33 39539.67 39226.33 38727.33 35407.33 38995.00 40457.67 35000.00 33784.00 41911.00 34613.67 34844.00 202348.00 206910.33 186673.33 191105.33 195345.33 221760.33 189853.67 186930.00 201796.33 180794.33 224697.33 231201.33 183306.33 220812.00 273862.33 218897.33
[SP] Sphing-4-enine-1-phosphate
29755.67 13013.00 - 14795.00 24041.00 13992.00 22497.00 18669.50 19387.67 12360.00 12896.00 12989.50 42787.00 8883.50 18240.00 11299.50 61501.33 31545.00 18489.67 38419.33 72047.67 24089.00 26154.33 26884.67 77910.67 27470.00 29493.00 34241.67 74871.00 22976.67 22735.33 28424.33
[ST hydrox] 3alpha,7alpha-Dihydroxy-5beta-cholan-24-oic Acid
110356.33 105044.67 110822.33 99995.33 79690.33 113097.00 106707.00 141611.67 108294.33 95795.00 102011.00 136011.33 108687.33 99704.33 101250.67 85476.00 106806.00 122346.00 93887.33 107701.33 94906.67 108868.67 84069.67 98858.00 90804.00 102734.33 98849.00 107208.67 92180.67 103974.00 120547.67 114003.33
[ST hydroxy(3:0)] 3-hydroxy-estra-1,3,5(10)-trien-17-one 3-D...
135111.67 73265.33 61793.00 47587.33 130542.00 104171.00 133851.67 178013.67 162534.67 82053.67 67932.67 53237.67 174737.33 83792.33 60757.67 52064.33 79131.67 103823.67 55645.67 85427.67 72263.67 74287.33 76118.00 71056.33 68339.67 80645.00 66782.33 70453.00 82553.00 80430.00 80750.33 83353.33
Sulfate
3771063.00 3488822.33 3617790.33 3665638.67 3522419.00 3439308.00 3548860.33 3732988.33 3659522.67 3476276.33 3672562.33 3529736.67 3826969.67 3806822.33 3517837.67 3563194.33 4470341.00 4455478.33 4889228.67 4440987.00 4635270.67 4823690.00 4529642.33 4915553.67 5068654.33 4389116.67 4535624.00 4163642.33 4580827.67 4643678.67 4699181.33 4461700.33
tetcyclacis
150351.67 75462.67 82206.33 89374.33 125263.67 142493.00 64405.33 93128.67 110794.00 65896.67 80020.67 78134.67 95902.00 77092.67 109008.67 85685.33 96410.67 106315.67 88299.00 110563.67 135891.33 114374.67 130328.67 112734.00 165753.33 110137.67 127591.33 108380.00 118600.33 118781.33 117676.00 131654.67
Tetradecanoic acid
791280.67 732097.00 903785.33 861803.00 718419.67 707932.67 711977.67 727431.00 677964.00 797827.00 834879.00 773194.33 861427.67 816976.67 742103.33 706281.33 717302.00 826747.33 755427.67 749184.67 841979.33 803278.33 822221.33 838186.33 991030.33 697494.00 762889.00 739522.67 677332.67 955215.33 933092.67 770368.67
tetrahydrogeranylgeranyl-bacteriopheophytin
218774.33 240991.67 202411.00 276092.00 170296.00 167385.67 247641.33 196068.33 160798.33 214498.67 208337.33 254833.33 197453.00 170640.00 223101.67 215530.00 243913.33 295334.00 209072.00 256426.33 240133.67 261856.00 269521.33 320299.33 184374.33 271067.67 236735.67 223698.33 192784.33 296296.67 286781.67 321230.33
Thiodiacetic acid
88943.67 101691.67 92758.33 88958.67 76780.67 80431.33 92226.67 86642.00 79135.67 89698.67 91016.33 70244.00 78580.67 100203.33 85540.33 93646.67 74549.67 88968.67 80029.33 75804.33 82121.67 102331.00 75905.00 93225.00 72890.33 92176.00 97849.00 79356.67 72532.00 94736.33 100376.67 91000.33
Thiourocanic acid
58218.00 53180.33 63021.33 67498.33 65552.00 74450.33 72031.00 83014.00 51926.67 54093.67 63209.67 58994.67 61133.67 64623.67 61120.00 64847.00 81438.67 91183.67 108564.67 102316.00 93295.67 98123.00 88515.00 115473.67 87856.67 87768.00 114521.67 100621.33 114311.00 122430.67 96587.00 93935.33
Thr-Thr-Asp
193301.00 185811.67 188662.33 185081.33 174191.67 186770.33 184571.67 210249.33 180914.67 170230.33 182143.67 195909.33 171452.00 189483.67 217182.33 180862.00 208958.67 207195.67 215707.67 216345.00 547757.33 346481.33 214199.67 230357.00 579702.00 213968.00 214019.67 226171.00 485853.67 280827.67 223525.00 226107.33
THTC
75126.33 99124.50 102210.67 90692.00 80897.50 84565.00 68932.33 63204.67 177229.00 54582.67 77139.00 67486.33 100898.50 73858.33 73348.00 81105.00 55181.33 33485.00 45304.50 47325.50 56246.33 34945.50 38814.33 32310.50 46986.67 31414.67 20885.67 40207.50 48826.00 28840.50 70194.50 76800.00
UDP-glucuronate
35142.67 34424.67 37200.00 27572.00 32941.33 34374.33 39115.67 34555.00 29711.33 35654.67 36756.33 35189.33 39806.00 38193.33 36384.67 36803.67 63344.33 68818.00 116350.67 69260.00 59519.33 89041.67 74806.67 104049.33 81593.67 69973.67 73578.67 79446.67 58000.67 68607.67 78776.33 82010.33
UMP
49435.00 63378.00 55383.00 87148.00 134223.67 73152.33 126544.33 285342.00 58391.33 47649.33 66947.00 106121.67 116464.33 60277.00 84896.00 146304.33 113484.00 475539.00 308439.00 488177.00 554140.00 471352.00 505228.00 514589.00 - 16302.00 413135.00 56503.00 10110.00 267685.50 489656.00 535286.00
Uracil
72488.00 70430.33 76238.67 71692.33 64706.67 72652.33 71131.33 80977.33 78476.33 75218.33 72192.33 75844.67 69599.67 70911.67 70162.00 75411.00 98873.67 110751.00 100826.00 106632.33 101914.33 104729.33 106357.00 106723.33 116811.00 96342.00 102520.00 105461.67 106696.00 108914.00 107576.00 106971.67
Urate
87020.33 10016.00 4101.00 3168.00 98756.33 10287.00 6373.50 7851.00 100152.33 10887.33 3585.00 5513.33 137169.00 45715.00 4275.00 5952.50 94904.00 11927.00 4773.00 6463.33 112733.00 12894.00 5732.50 5062.00 147055.67 11694.00 7234.33 8875.67 106362.33 12533.00 7898.67 4525.67
Urocanate
147732.00 123853.33 128720.67 135093.33 101843.33 128249.00 123166.67 167236.33 175926.33 149056.67 123156.00 153492.33 156366.00 316542.67 137592.33 115052.67 102744.67 163905.00 159850.67 102236.33 138002.33 142750.00 123434.33 122005.67 221063.33 160757.67 141697.00 111646.00 129412.33 150903.00 146676.00 190031.67
Xylobiose
65417.33 76021.33 75246.67 69626.00 61706.33 72089.67 71727.33 78553.00 71900.33 65271.33 77198.33 75107.00 67065.33 77563.67 67969.67 77344.33 81517.00 81671.67 77442.33 81457.67 79613.00 83646.00 90487.00 79105.67 84847.33 79152.67 83317.00 84527.33 82589.33 83966.33 86002.00 89062.33

Factors:

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