metabolite_name P_000073_1 P_000073_2 P_000073_3 P_000073_4 P_390482_1 P_390482_2 P_390482_3 P_390482_4 P_397264_1 P_397264_2 P_397264_3 P_397264_4 P_ATV_1 P_ATV_2 P_ATV_3 P_ATV_4 P_CQ_1 P_CQ_2 P_CQ_3 P_CQ_4 P_DHA_1 P_DHA_2 P_DHA_3 P_DHA_4 P_DMSO_1 P_DMSO_2 P_DMSO_3 P_DMSO_4 P_S291_1 P_S291_2 P_S291_3 P_S291_4 P_S313_1 P_S313_2 P_S313_3 P_S313_4 Choline phosphate 11493079 10790535 8861662 11812059 12141188 11851542 10276706 10616261 13893780 8962466 10670365 8869440 14505151 14207368 19686704 18926386 12509494 14373732 13074049 12916272 44163612 42106536 35871380 42207148 18211904 18698354 16020323 15654699 13501043 16126070 16112257 15905515 16305161 12782953 14501632 10505726 Nicotinate 66848 47654 103067 66180 112911 87785 123508 119650 110831 117761 129709 120160 121590 46965 125433 81936 65286 60029 140904.8438 116506.4297 105035.8594 65878.09375 120453.1094 169701.8906 66322.20313 61058.19531 68330.17188 47608.09766 159403.7969 48431.76953 62227.80469 70847.24219 114458.1563 77696.375 107275.9141 104783.1797 CMP 42007 53946 35715 39770 39854 29497 33784 34493 33389 30725 41626 32462 31792 33284 62788 55300 42934 42123 51379.51172 39256.76953 94918.40625 129937.0234 107674.2266 103663.4375 59371.98047 60273.22656 62075.66406 56060.0625 47961.95313 43745.84766 75940.21094 72249.97656 38094.87891 42345.75781 41245.05078 35819.61328 Hercynine 8859457 10174829 10736033 13573259 11000977 9764962 10993747 13921940 7610829 6370428 11423167 10713717 12705864 15440512 10733621 13483216 13595807 14836521 13948139 12514707 10829145 13586833 13351235 16679534 7382138.5 6411735 7754488 8646674 1906394.375 9997590 9458525 11003970 11008415 7396088 15158185 9474806 FA methyl(18:0) 173481 165802 138823 181246 187299 170039 166255 143151 145572 151621 175227 146800 76354 88621 127271 100537 80730 76671 69741.45313 72982.01563 164285.1406 153593.8125 180619.1406 147769.2656 57558.35547 95153.89063 112015.3438 95069.59375 87093.96875 85896.25781 81411.82813 82076.25 171548.5625 206682.6875 149846.125 171558.25 PC(36:3) 8124929 8564436 8277022 8615025 2458844 8375435 2991417 4006463 4414742 3434671 4249428 4055009 5562865 4322191 4700518 2866338 8554142 7169923 5047804 7139378.5 8092479.5 8933710 8611464 8752200 8054150.5 3101274.25 3111426.5 5113915 6629629 8662218 9114797 8761601 8208616.5 8030768 9655553 7496666.5 [SP (16:0)] N-(hexadecanoyl)-sphing-4-enine 838501 874811 904066 847838 913485 617117 776644 733142 789268 592118 885522 473201 918352 887322 797786 831663 963633 934073 980264.875 751029.5625 1040403.375 1043334.125 1041176.188 786150.625 633897.3125 711598.0625 617139.125 617162.0625 324955.25 725416 621349.625 709131.5 782849.875 702672.8125 876520.875 582643.875 FA dimethyl(16:0) 15255587 13419221 12313913 14335985 12807966 14457130 14564633 13270426 15845331 13660499 14647163 15067778 6703154 7218619 10099461 10415301 7535842 9488536 7252146 7052863.5 13544748 13726321 20303732 12491716 9743294 11163488 9604843 10756831 7499867 12017835 7682629 6866746 14115168 15383198 14941498 14999913 Cer(d40:2) 718152 669006 566276 536357 710974 464054 663178 522697 669118 656112 457637 430748 753035 693060 444064 576756 614230 725096 602534.6875 664180.375 868575.875 733492.9375 638057.75 633554.9375 568294.6875 542873.1875 462445.3125 429952.4688 326976.5938 585055.5 376466.25 457287.375 601784.6875 570661.0625 650600.3125 382995.2813 Linoelaidylcarnitine 1275862 1451746 1390094 1308236 1542708 1596805 1452372 1688451 1437922 1257376 1790213 1266813 1064582 1302792 1293733 1145784 1284053 1235083 1249316.625 1205437.25 1514028.125 1567208.125 1512571.75 1451795.75 1017857.063 1182652.125 998811.9375 1061039 932076.5625 1282705.125 1023575.063 1126775.125 1303963.25 1276384 1389388.375 1144906.25 Clavulanic acid 183777 175629 168303 154092 210040 112265 129646 152063 176530 158701 166932 93291 223494 211210 86901 115530 226980 189041 140248.5625 127730.4219 171821.9531 204629.6094 226732.8438 203181.0313 148324.2344 127341.3438 102276.9609 197248.1563 66171.53906 184092.75 130253.1641 101600.6172 212594.6094 128593.9688 176811.2188 126171.2109 PE(30:4) 175280.6719 184315.125 134921.2031 179181.4688 155571.7969 148614.2188 140830.8281 163993.75 139960.9531 99273.10156 131130.6406 153963.4063 198847.7031 152234.8594 162738.9844 223566.0156 138580.125 199765.5313 237612.75 200696.8594 182155.7031 231755.3438 201432.6875 173613.6406 171257.6563 125580.6641 167859.1094 99804.27344 21523.85742 271217.0938 124178.0625 170700.6563 187164.4844 136214.6563 152426.1563 152940.6875 Monomethyl sulfate 131673.1719 138903.5156 125422.7188 142180.5 182721.4531 149681.6875 150287.1719 141390.7813 135908.1406 148420.9688 159525.875 164343.5 171838.7813 196287.1719 137766.6719 165910.4375 175009.6875 174182.7969 166721.0625 184689.875 161720.5 150003.0938 191077.4531 176742.5938 135325.9531 133778.5 117337.2891 102729.7578 64288.61328 143150.7344 130512.0703 124354.9297 151903.2344 140566.7969 151315.5781 172347.4375 PE(31:4) 342880.4375 341593.2813 361247.75 349570.9688 460551.5313 287823.7813 337929.875 298914.2813 319868.9688 296501.125 259174.3125 196192.0625 452477.7813 475868.1875 402064.5313 340959.1875 470011.5938 684951.625 448139.0938 270763.7188 436559.6875 423152.5313 380918.3438 484289.4063 374536.0625 347772.9688 310810.9063 213796 141745.6094 364275.875 171683.5 342947.7188 368857 225803.7188 363909.5 191991.8438 [SP (24:0)] N-(15Z-tetracosenoyl)-sphing-4-enine 2678027 2480574 2545152 2231876.5 2967405.5 2104384.75 2401681.5 2297008 2505348 2508194 1933727.75 1827389.625 3403669.25 2933488.25 2393116.25 2393338.75 2788352.5 3428297 2801609.5 2499932.5 3018202 3323600.75 3045128 2474855 2259600.5 2276807.25 2004696 2048860 558675.25 2245777.75 1959510.875 1937833 2764037 2228014.5 2792109.75 1884385.875 Heptadecanoylcarnitine 737421.125 706293.125 647123 667436 819767.3125 830075.9375 909134.875 810270.4375 809436.6875 636729.3125 807465.625 714469.8125 598123.0625 851195.6875 789773.0625 800541.5625 740264.3125 735163.5 819839.5625 663341.375 844891.75 1084815.5 832447.375 727153.75 625734.0625 754282 563630.5 600557.375 522495.75 656354.5 686142.5625 759654.75 810718.5 676537.8125 816961.9375 528961.875 Psychosine 110102.1797 117516.8203 109768.2813 111598.75 131913.1875 129824.6797 110966.2031 136505.1875 117236.9297 111608.75 116064.7344 111807.5781 89629.27344 102068.2109 113825.2656 104360.5156 109962.1328 105209.2422 112516.4922 91584.83594 137414.5156 121123.9766 110712.6875 113539.5469 85633.67969 95577.15625 93163.71094 79785.88281 94894.35156 96173.125 94215.48438 81509.67188 116768.4219 129722.3359 136131.5625 109162.2031 [SP (24:0)] N-(tetracosanoyl)-sphing-4-enine-1-phosphocholine 6759006.5 6237082 6173550 5484335.5 6671689 6205611 5647718.5 6223438 5345716.5 4869174 5019775.5 4776179.5 7172906 7088077 6332677.5 6300813 5625856.5 6679642.5 6504287.5 6253922 6653199.5 6695472.5 7035113.5 7423614 5650110 5379723.5 4992817.5 4454243.5 2255287 6255457.5 4867247 5406447 6883312.5 5473240.5 6464556 5902445.5 Oleoylcarnitine 5387178 5814307.5 5042543 5381120 6801294 5789781 6265524 6164185 5422360 5390161 5477996 4947906 4486683.5 5279655 5049301 5282886.5 5397937 6115649.5 4874755.5 4746844.5 6664683 6777461 6187112 5719253 4640257.5 5107651 4682763 4395298.5 3571829.75 5026320 4535531.5 4455262.5 5308071 5388692.5 6419793.5 4266901.5 [FA trimethyl(13:0)] 4,8,12-trimethyl-tridecanoic acid 9412502 10086139 8825669 11070433 9121726 8689470 10666128 10476655 11060346 10742750 9672378 10616354 6834623 5517154.5 8369200.5 7308701.5 5128925.5 6644252 6400651 5193581.5 9264973 8846627 16419403 9503139 9280323 8980748 7294879 8038068 7058863.5 11596276 5671248 6307839.5 9971133 14647046 9100848 11737770 D-Ribose 425101.2813 460259.7188 403486.5313 421894.8438 451812.3438 507974.2813 462075.875 487170.5 446975.75 394890.8125 484820.3438 433311.0938 438867.5938 458923.8438 480285.5938 461928.6563 470554.6875 482116.2813 457534.75 401238.9063 576722.0625 460803.875 466826.6875 484687.1875 422148.5313 429081.1563 401839.2188 285164.4063 156421.1094 394688.0938 412072 421554.375 472179.0938 388950.25 499396.4375 389052.7188 SM(d18:1/22:0) 3893581.75 3738908.75 3647437.25 3239734 3934305.25 3874303.75 3634032.5 3473198.75 3247409.5 3668375.75 3077634.75 2904334 4033015.25 3998744.75 3787834.75 3769523.5 4194037.5 3980538 4261083 3562217.75 4036478.25 4050375.5 4746671.5 3894708.75 3440395.5 3205485.5 3182340 3214090.5 1776120.625 3333808.75 2116640.75 3502854.25 4196235 3540197.75 4141302.25 3339939.5 2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate 149503.6094 168876.2344 153507.7813 147559.5938 182392.25 163465.4219 151379.25 179462.1719 142767.4063 124303.5625 140318.875 146657.3125 160610.5156 159858.2969 157470.7969 156141.0156 183421.9219 162451.5781 157533.6406 135743.9531 189985.5469 187537.0469 136914.5156 169905.4375 147120.4063 110548.0703 180670.7813 95854.78906 110552.5 135586.7813 141042.5313 163904.0938 133111.2344 133226.75 152780.125 142545.9375 Ala-Met-Asp-Tyr 1103806.875 1139644.375 1189434.25 957649.375 1400459 1309033.125 1236838.625 1432586.625 1449878.375 1026120.625 1394914 1054954.25 1323106.25 1595848.25 1171181.625 1184076.375 1428409.625 1478314.875 1529652.25 1481580 1336189.25 1317360.375 1445345 1341828.125 1158292.625 1025182.313 1167641.125 923323.25 1098948.375 1315025.125 1365612.125 1478112.375 1250774.75 1189504.25 1426871.25 1155991.5 trans-Hexadec-2-enoylcarnitine 326557 323697.1563 395719.2188 419876.5313 501371.9375 445326.625 459439.4063 480255.9375 418202.25 364100.1875 384040.4375 401033.4063 312756.4688 477572.7188 330691.4688 314246.5 388952.8125 505807.1875 393319.3125 299723.25 449570.2188 362553.1875 360916.75 458570.7813 394099.625 281407.0938 279394.75 343787.4375 237098.8281 261428.1094 337708.75 372727.7813 534634.375 410663.2813 335009.5938 336416.5625 N-stearoyl tyrosine 385647.25 554798.25 378145.25 384144.5938 496732.0938 407495.4063 501049.75 432904.6875 438024.5625 325450.0313 345664 306811.3125 288335.3438 355111.9063 398461.1563 337612.2813 430048.4375 433986.5625 377884.8125 293803.0938 457411.5938 447704.5 439267.6875 411813.0313 362892.2813 413456.0625 312412.0313 310835.625 237099.4844 363110.875 318905.0938 294249.1563 373658.5625 383175 616110.5625 320294.625 Stearoylcarnitine 5079456 5416127 5106236 4553658 5896302 4912259.5 5211389.5 5012302.5 5166804 4089556.5 4660987.5 4263846 4793591 5213383 4893031 4874898.5 5475068 6292152.5 5005960.5 4194135.25 5978097 6083573.5 5609439 5361860.5 4709382 5299310 4315396.5 4152665.25 3502705.75 4848170 4368309.5 4441853.5 4767872 4805998 5730650.5 3943321 PC(34:2) 33632908 75951136 67774048 74933216 73274256 70689504 73243608 67600416 73903192 60898644 74040568 67784248 64629712 78439760 74788224 75573064 69354528 70984912 73920688 73936304 77456288 74126360 74088096 79104288 69052032 31749452 70196920 73998552 57869144 74302288 72216560 76166272 70072168 71661648 77282376 62117652 PI(34:0) 268340.5313 205187.8906 234531.0469 220809.8594 185180.5781 72781.19531 137774.7656 211237.8594 207360.3125 173001.25 168517.7188 149148.3594 250638.9063 283059.375 243171.3281 226970.7969 247574.9375 279745.6563 257964.9063 227874.5781 218707.4844 257656.4688 209957.4844 253219.5469 227190.2031 202813.5 194158.7344 140602.8438 103655.6406 264951.125 207262.9688 160215.0469 206947.2969 255657.125 241624.2813 142612.7813 FA oxo(8:0) oxo-octanoic acid 76472.74219 70949.6875 76274.28125 74481.08594 85212.85156 87027.25 86009.23438 115100.2188 79584.21094 64621.15625 74631.375 75782.17969 81121.14844 65973.75781 58880.60547 61446.66406 62344.49219 65060.90625 77980.40625 66598.75 70914.11719 90029.16406 70619.07813 83104.26563 68130.1875 54025.05469 75382.84375 62990 70589.17188 57714.00391 75109.1875 73925.30469 68077.59375 62239.50391 98888.46875 71644.05469 PI(34:1) 432986.1563 323270.75 322739.4063 369750.5938 311195.0938 467626 300776.6875 320587.5938 300070.1875 294092.4688 337128.1563 266878.8438 395936.6563 411795.5 370846.25 334642.75 362426.5313 438492.875 396866.375 339842.9375 337972.375 395373.8125 360190.9688 403799.5938 335867.8438 343878.0313 310727.2188 256457 156892 431994.375 306338.3125 242802.875 339303.2813 219654.4219 308863.125 234939.9688 PS(42:9) 81689.41406 66315.25781 99026.84375 94963.60938 75355.32813 96096.40625 74650.74219 95402.04688 54251.14063 84060.29688 78310.1875 67251.42188 97458.38281 97120.67969 95049.38281 84424.71875 75088.375 99091.28906 97042.72656 89711.21875 84279.125 94160.53906 94201.75 88923.40625 60467.07422 95926.65625 74982.17969 70304.375 60609.94531 87393.95313 87544.89063 74026.27344 66901.04688 99376.77344 80243.92188 88944.6875 4a-Hydroxytetrahydrobiopterin 614749.75 481850.625 531714.5 432681.125 566895 499554.5938 540891.8125 513688.8125 475316.0313 455623.3438 519126.2813 353693.8438 519129.625 577101.375 536407.5 480124.9063 514618.7813 534670 596991.375 451914.9375 707136.75 590640.25 510711.3125 591647.5 599441.3125 461753.8438 464087.7813 479835.3125 286933.5625 507153.7188 489405.0625 488296.4688 536770.875 414796.4688 617575.25 517166.5938 (24R,24'R)-Fucosterol epoxide 1173548.625 1195939.5 1289695.5 1170167.125 1260765.75 1083596.5 1301935.875 1001110.813 1309258.125 1004665.5 1106940.5 893388.3125 1297614.75 1293930.375 1138844.875 1070717.25 1390169.25 1311472.375 1119118.75 1155067 1330999 1496044.125 1163439.125 1211974.25 1123126.375 1110529.875 1078209.25 1037417.625 715458.75 1091352 776460.4375 772018.875 1177399 1041135.5 1256024.875 753898.6875 alpha-N-Phenylacetyl-L-glutamine 138283.4844 150478.3594 154721 225085.0938 173131.4375 130021.4375 123770.1563 133123.8438 120580.6484 161271.7969 203459.5625 170491.0938 108695.0781 155052.0313 232354.2188 228632.3281 117100.2266 126135.3047 174121.4219 147538.0469 180375.0625 122897.9063 202869.3281 175525.4219 124307.2109 163450 115202.6797 167198.1875 158114.6875 136372.2969 167839.5 204293.2188 109463.9844 99257.11719 183899.9531 108449.1016 Glycerone phosphate 787603.75 827878.6875 707586.9375 850852 499564.5625 463767.3125 501647.4063 487632.5 850561.875 635771.375 860198 948925.125 138759.5938 117554.5625 231929.5938 222097.3594 125713.4141 95161.40625 131797.7813 113419.5078 290115.3438 182423.8438 209779.2031 216183.3906 138670.4844 184761.0313 172231.875 256914.3594 111012.8047 117190.4375 123210.2109 134770.8438 667033.9375 598205.25 582758.875 399962.875 Met-Cys-Cys 3588862 4009561.25 3499953.5 3665781 3771607.25 3093553.5 3762716 3917515.75 4043063.25 2853418.75 3682790.5 2501453.75 3526921.5 4035719.75 4540803.5 4369721 3704507.75 3891010 4402402 3759013.75 3496196.5 3468432 3852252.25 4481800 3034608.75 3381931 3327636.5 3080930.5 806488.75 3516624.5 3229740.75 3512403 3964820.5 2764619.5 4507521 2074152.125 Docosanoic acid 127253.2734 94842.78906 93298.64844 89508.44531 103691.3516 94520.84375 102851.3906 99199.34375 98340.78125 95362.91406 91259.14844 79682.46875 63855.44531 92145.72656 87968.4375 119840.3203 96883.30469 83495.17188 99734.71875 85240.65625 91361.4375 90920.92188 108751.5156 88873.44531 64404.54297 102046.1094 84641.27344 68086.32813 56612.71484 80689.76563 86665.54688 75739.42969 111883.4297 103688.875 110110.3281 94907.14844 SM(d18:2/24:0) 16898698 13823215 14505764 13006126 14703213 14226551 13895592 13674548 12435298 11289571 11561230 12135430 13962567 14151603 14914028 15358832 14020405 14415451 14235381 13442835 15119926 13776723 15345502 14541228 12999061 13057006 12277760 11122793 8998441 14392315 12546412 14174951 14815636 13218137 14005719 12125199 Dodecanedioic acid 97515 70024 89228 82763 89808 84580 87959 97364 88929 74327 73046 74617 69087 92836 93167 73112 90842 69902 88198.94531 69831.3125 88772.08594 100636.6094 84721.85156 77154.25 70766.22656 78979.86719 76254.05469 74349.375 95961.30469 77083.32031 63021.03906 102629.5469 69384.64063 69775.53906 69830.3125 78449.99219 Dodecanoic acid 448078 450877 497005 414626 745385 862172 884749 936967 510167 622648 554956 437954 643767 679620 485627 453042 467315 692367 628210.4375 465446.375 483991.9375 460763.6563 814221.0625 530839.5625 547967.6875 478399.0938 518639.1563 416419.0938 446121 681600.3125 421968.5938 497976.2813 527155.9375 582643.25 506189.6875 602127.9375 PI(32:0) 147571 97525 111131 103109 98711 107867 89163 100259 108460 82106 96009 88158 113574 119722 104787 109675 102131 111587 139798.6875 105314.4063 102438.5234 103547.7109 109284.3906 118263.625 102005.75 103323.9531 96947.42188 70078.76563 43236.64844 119325.4844 96762.42188 78329.78906 76100.9375 118346.625 110256.7188 67074.63281 S-Adenosyl-L-methionine 1221928 1214623 1019612 1101765 1195621 1122797 1277517 1192110 1266456 1072939 1292401 1274507 749425 1003499 1106122 1116124 1158166 1197815 1147328.875 1030884.313 1502443 1522546.25 1155076.75 1263850.25 1137441.625 1188731.375 1117349.75 1290675.625 1052734.625 1041906.375 1098795 1125333.375 1218222.375 1254138.5 1215810.25 938761.5 [SP (16:0)] N-(hexadecanoyl)-sphing-4-enine-1-phosphocholine 40065756 40268496 37723040 37253844 39280708 40204808 40825556 38346448 33810224 32032526 35780880 33441212 39534456 43053044 43915528 40864224 37527632 44945000 41885580 36913752 37332020 38097540 41537536 41174900 33264114 36919752 36129648 31288930 23866836 35872504 35088092 36458196 39632244 36303392 38883488 34098476 Asp-Lys-Lys-Tyr 81242 108768 106109 92362 84250 105039 94906 89840 84261 94129 92397 114369 81880 95445 93834 112300 83349 101510 94235.85156 86719.78906 100768.3984 100741.1484 94980.82813 114817.4375 76060.63281 94113.22656 83160.10938 105225.7969 58773.10938 99029.92188 95789.47656 102841.4375 79565.57813 69467.90625 90196.57813 124838.5078 SM(d34:2) 4658862 5762337 4498936 5318797 5196349 5286387 4790622 4931460 4321778 4440913 5012356 4199845 5488488 5416293 5318378 5398268 5172677 6339741 5186747 4720819 5162973.5 4977794 4953492.5 5228041.5 4497484.5 4425999 4576383.5 4226709 3165565.5 4342579 4479353 5054771 5096657.5 4505607.5 5740918.5 4547430.5 SM(d18:1/22:1(13Z)) 3809950 3855198 3350956 3023927 3594624 3092684 3598261 3191327 3169737 2834342 3127962 2936256 3488109 3298664 3678738 3678490 3241618 3439536 3514196.75 3066436 3639264.75 3267992.5 3349522 3366645.25 2884862.25 3173166 3352259.25 2492791.75 2097850.75 3154505.75 3094046 2995283 3512722.25 2981533.5 3237561.5 3043803.5 FA methyl(14:0) 534204 564416 486377 557213 421629 507166 465230 421963 492112 577056 696654 629844 279931 393019 452433 474214 291763 368615 291087.6875 373076.25 524353.0625 544102.5 633630.3125 459554.25 440943.5625 512439.0313 443876.7813 510368.125 415382.4375 362266.125 310343.6875 293354.0313 440868.0938 647916.4375 460768.3125 665568.0625 2-Oxoglutaramate 53323 86617 151782 52321 85359 126386 97848 106264 104168 67921 180664 91950 76236 110426 68767 47904 100759 60710.57422 39799.62891 55361.42578 55371.70703 52016.05859 50311.03516 77921.375 29732.82031 80750.17188 72610.38281 127149.5859 110159.6563 92604.58594 109741.1563 93163.61719 163971.7969 119359.0234 SM(d18:1/18:0) 5495724 5097983 5086588 5021525 5647720 4636390 4978049 4542625 4260910 3835022 4307018 4568496 5104636 4989871 5870430 4960641 4794713 5258852 2753247.75 4624769 5511852.5 4479292 5276812.5 5300359 5038764 4402487 4479658.5 4268744.5 3057613.75 4682104 4314476 4930044.5 5194724 4630407 4784547 4561173.5 6-Acetyl-D-glucose 355190 326538 430807 275600 395782 395287 368753 372468 352810 359896 454380 340991 373220 456147 398544 414540 383562 387854 404940.4375 433647.5 551257.25 412751.3438 361150.5938 430538.1875 391348.375 402992.3438 387605.1563 380086.2188 310284.4375 390117.0938 350829.7188 368520.2188 342005.6875 340408.7188 473903.0938 345072.375 5,8,13,13a-Tetrahydrocolumbamine 1320357 1350353 1249966 1356147 1388803 1490694 1410337 1354307 1302962 1196708 1326271 1187162 1403048 1293563 1198842 1207390 1287556 1080235 1393483.375 1308602.375 1594109.875 1393641.25 1269995.375 1290261.5 1193988.625 1302825.25 1298662.375 1179112.875 1128160.125 1259211.875 1351110.25 1436909.125 1296822 1232382.75 1208283.25 1242720.625 Fagomine 253855 256422 242362 264006 235478 251488 252047 263234 269964 215216 266388 291974 232487 219564 255970 260099 202099 244259 254120.875 199457.125 258792.0625 218108.7813 258030.6563 256250.9844 233512.2344 219781.25 222156.2813 214942.625 160860.0625 207956.875 237865.625 220563.375 204214.6563 264537.7813 243871.8125 213947.1875 PE(P-40:4) 281274 281089 269380 257149 286091 269941 317112 302646 266173 246370 258225 252634 279703 257063 278542 288250 273902 264038 305821.4688 288359.5 304836.1875 330321.75 284780.3125 273111.3125 264810.4688 271709.0625 300667.6563 235308.5781 190824.5313 277829.0625 260369.2031 352280.9688 298995.1875 304435.0625 284556.4688 301404.4375 5-Hydroxytryptophan 462648 457590 561022 519397 673157 673735 670538 695427 598713 583439 639249 741888 742779 843513 685237 754250 670465 715122 826489.8125 701221 726711.125 592154.3125 715860.875 831545.4375 611715.625 653564 734114.4375 591536 192315.4844 626742.125 642791.3125 560688.0625 625274.625 611631.375 736953.8125 776320.5625 3-Dehydrocarnitine 484365 457645 453655 495703 414388 519341 476234 485789 480974 472383 721379 680300 417335 539149 496950 867955 610146 574329 455309.5938 407976.0313 484949.125 632589.1875 455176.9375 509027.2813 523998 552379.625 384880.6563 421688.2188 367189.375 427069.5938 473479.4063 451024.2813 434245.7813 493873.5938 496510.9688 647713.9375 O-Palmitoyl-R-carnitine 2801406 3356415 3311375 3518578 3959022 3110455 3565652 3503054 3493584 2771035 3634766 3452415 2008002 2547776 2826263 3347754 3022752 2743745 2644569.75 2469864.5 2778690 3551794.5 2460472.75 2798733.75 2975720.5 2479275 2438393 2599754.75 1906925.75 2652708 3031193.5 2858792 3389629 3183504.75 3488740.25 3355905.25 N2-Acetyl-L-aminoadipate 2221509 2474258 2158995 2750802 2236541 2693157 2299346 2594911 2625103 2088251 2579726 2664043 1831295 2372924 2373582 2629614 2272997 2023716 2318129.5 2409648.75 2416561.5 2534026.75 2284133.5 2463347 2236222.5 2304393.25 1953741.875 2326383.5 1629821.25 2147475.5 2243428.75 2345381.25 2200200.25 2317008.25 2627854.25 2155417 Indoleacrylicacid 1073698 1017096 1004072 950935 1247321 1178041 1195579 1111906 1216479 952486 1142924 908090 1049848 1050626 1064862 1054283 1138505 1174751 1140294 1056812.375 1118102.25 1303760.625 1015966.813 1033748.438 984862.0625 1062393.75 1041655.125 980804 907906.4375 1107029.25 1121555.375 1151725.25 1158451.5 1031632.563 1255932.125 745557.125 Capryloylglycine 183375 205581 179910 186342 223663 202547 248615 220279 215547 176608 246543 207309 178666 198768 200385 200758 203541 205231 187483.6094 178361.7188 225165.5938 215651.1094 156867.5938 230756.6563 183171.3125 189715.8906 196985.0781 186093.2188 137691.0313 180713.5 196933.0625 200440.7813 196190.375 187442.1406 202589 160240.2188 L-Citrulline 7972078 8510448 7785204 7880078 8710758 9204447 8393502 9785075 8656263 7102086 9635550 8119180 7203900 8028756 9002124 9421802 7469108 8271026 10090055 7739348.5 9384504 8202723.5 8592731 8580573 7446073.5 8756707 8518245 7024617 5016164.5 7761908.5 7715180.5 8329166 8275046 7843578.5 9263241 7385499 N4-(Acetyl-beta-D-glucosaminyl)asparagine 235444 292852 229286 268131 247696 249035 238792 294177 271390 202292 248733 243972 225828 272422 279597 253159 223021 258600 258402.7813 228868.8438 275125.375 251811.9375 243416.9844 281244.3438 250300.2344 237636.7969 245311.5781 227871.5781 167581.25 229700.1719 224508.7344 240155.625 263743 236093.9375 257908.1719 182839.625 SM(d18:1/14:0) 6011745 6486999 5785835 5450450 6247111 6762596 6176458 5969247 5356836 5198950 6154606 5026979 5760135 6455262 6227603 6638737 5842840 6688943 6143984 6118130.5 5834522 5440721 6447905.5 6375668 5276129.5 5892135.5 5763555 5109746 4819568.5 5468440 5318871.5 5853034 5222699 5397766.5 6096260.5 5428292.5 2,3,4,5-Tetrahydrodipicolinate 87608.66406 128367.4844 139696.9844 109149.5391 106508.4688 58719.83594 116245.9922 51258.29688 146998.1094 88411.14844 87858.10156 152130.3125 82759.41406 74238.17188 151277.3438 72683.47656 105836.6953 55438.21094 105506.3203 111415.7656 57457.25391 120429.8672 107657.9766 113347.0625 55741.35547 134314.6563 119877.1875 55282.25391 120200.9219 45719.14844 65257.15625 112560.5781 98037.5625 102535.6563 96632.35156 134440.4375 3-beta-D-Galactosyl-sn-glycerol 376870 370665.0938 336617.6875 346669.5938 405385.4688 365462.75 391020.125 402657.4688 392813.9688 336480.8438 401278.125 386039.7188 322468.8438 353572.75 387580.625 397812.0938 353000.2813 376896.1563 377034.5938 374458.75 384800.875 389244.3125 380235.9063 364237.625 367268.9688 352330.9375 351293.9375 321564.3125 222630.1406 320849.5938 365044.4063 350798.75 342598.0313 353051.4063 425798.5625 305505.4063 [FA (18:1)] 9R,10S-epoxy-12Z-octadecenoic acid 19020.04297 28984.17773 26394.44727 45191.04688 40105.72656 43663.23828 41378.28125 42798.78516 21439.85938 55368.26172 51946.95313 52421.96484 34542.1875 43941.3125 21626.34375 22231.52539 37181.50391 35615.49219 47852.125 37500.36719 62725.39063 48020.34766 39690.21094 21003.28906 20757.74219 49863.875 42896.62891 43729.55859 35293.59375 24308.62305 38629.10547 41417.51953 19637.80273 23848.69727 43782.86328 36417.39453 Ile-Ala 1471449.75 1890971.875 1625490.375 1569093.875 1767803.75 1657097.75 1750060.375 1926035.875 1809833.25 1436220.375 1653211.5 1669249.375 1525877.875 1766037.375 1825331.625 1760683.25 1766275.5 2111117 1669760.625 1562855.75 1762434.375 1920099.125 1506223.75 1757871.875 1553970.75 1539193.75 1639450.125 1641760.625 1095660.125 1458205.5 1749189.375 1581571.875 1626931.875 1642809.25 1837739.125 1291654.5 PE(P-36:5) 122784.5938 147643.0781 130859.9766 123189.1875 129261.7031 124770.9531 153341.6875 136647.8438 148109.1719 107604.2031 114465.1953 105636.3906 121339.2109 150024.5938 148250.2969 160833.9375 116643.8047 128272.1797 148013.2969 136393.1406 123813.8203 113718.3281 151800.4219 140968.4063 126348.8047 120366.4609 120969.4609 119086.4453 57876.42969 107695.4922 121523.0625 123478.4844 115374.8125 107136.6719 165063.5156 118117.5078 SM(d18:2/22:1) 455476.8438 442510.0313 443831.625 430352.2813 490590.5313 438345.0938 444015.5313 476017.125 526663.5625 475386.7813 416112.5 374025.6875 504278.4375 397871.3438 449417.8438 488513.6563 355568.9688 439073.375 494015.5313 463514 384265.6563 495749 540017.4375 548419.75 491504.0313 516612.5313 434113.9063 365318.9063 383912.4375 486061.4063 610327.875 516248.3438 491316.6563 430903.8125 384140.625 540513.3125 Cys-Gly-Pro 1447201.5 1389056 1538554.375 1773066.25 1519513.125 1696531.875 1715568.5 1471762 1924355.125 1169737.625 1510399.125 1439599.625 1295912.25 1448603.75 1370613.125 1219379.375 1528259.125 563890.1875 1951157.5 1802508.875 1458565.375 1399908.125 1255541.875 1354937.875 1253661.125 1346768.625 1296800 1124717 1350152.875 1453127.5 1702311.75 1613365.25 1384966.125 1356310 1826558.875 1403118 N-dimethylethanolamine 157035.2344 92824.10156 75434.70313 146400.125 45396.41797 130857.9297 143240.5313 269167.1875 123640.875 50192.09375 99513.79688 139229.4531 47141.1875 54167.19922 82243.71875 85088.63281 73897.00781 120197.3281 107252.375 104725.5859 78189.92188 114715.6797 112829.8828 102186.5078 152938.6094 64724.03906 78126.00781 79277.30469 154225.6406 80198.32031 59534.33203 172466.375 154375.0938 78311.61719 162626.4219 171085.4531 PE(P-34:1) 607707.125 607343.1875 527007.1875 673591.625 597667.3125 532462.4375 726105.4375 542746.875 551907.25 433225.25 550126.5625 572230.75 776591.8125 587885.4375 494516.5625 638633 532242.625 594504.5625 690151.875 569706.9375 561997.0625 607743.3125 586206.4375 808884.4375 587097.5625 652495.5625 486875.375 632135.3125 531806.375 546225.125 488433.5313 525560.125 669361 591197.0625 576290.125 548194.6875 5'-Methylthioadenosine 1547460.125 1932727.125 2158151.75 2778242.5 1585656.375 2899208.75 2247738.25 2697059.75 1757268.5 1605503.5 2669506.25 3676456 1435312.875 1897596.625 3101747 2913661.5 1487594.625 2115074 2109102.75 2305297 1799637.5 2043859.625 2202364.25 3124896 1069216.375 2007062 2675506 2706236 1115568 1575475.875 2088878 2500398.75 1612460.875 2309131.5 2727363.75 2815098 LysoPC(18:0) 9299855 11047970 9493559 10451196 5869378 5652604.5 6085474.5 5846957 6682094.5 8448783 6805010 9400948 5982824.5 10295728 13270250 13030676 7189495 6056519 7518974.5 6883670.5 11098977 8380932.5 12724174 11692702 8164801 11785142 8838113 11704949 4813840.5 7227530 6513581 5999274.5 5718602.5 10473367 5746422.5 8054842.5 9-Oxononanoic acid 193430 146629.7656 179308.3906 192050.1563 161599.3906 198328.4531 226075.125 262997.9688 209052.4375 182814.6875 191064.8281 190424.7813 178784.1563 225794.625 158733.9688 164288.1875 161913.5469 167109.9375 169065.5938 148884.0625 162101.3281 202671.8906 194737.9531 177186.2344 190374.3906 156882.125 150519.2969 181827.875 187288.2344 218083.5313 142991.4063 190076.9219 186743.5938 214086.5469 244576.9063 187568.25 PC(32:0) 17617266 17014532 15373959 17204184 16197970 16780364 15389170 15357472 17489954 13455016 15974544 15312994 15733268 19143866 18220332 19184456 16111972 18982130 19116216 17756212 18325484 16304661 17293964 18420608 16393215 16586297 15861635 16068742 11596141 16818696 17707818 17641516 15298766 15654608 18339158 13422848 PS(52:0) 224197.0625 199390.0625 191539.9844 209707.0938 202641.2813 209656.2969 175946.7344 200109.0781 213159.2344 183932.625 237450.5938 175494.7344 195564.3906 243292.3906 240538.0469 231577.9531 185232.5156 202315.1406 180015.6563 155213.6875 189018.8125 237783.4219 197016.9688 259730.7969 251309.4688 203474.25 199818.0469 166603.5781 53201.28125 195395.7188 181673.8906 172889.2344 199587.6406 180577.8594 233100.625 154752.4531 N6-Acetyl-N6-hydroxy-L-lysine 260219.9219 288898.1563 283099.25 288755.5313 284329.4375 249895.2031 271551.3125 266714.9688 303833.75 229130.8281 320285.5313 236808.375 218599.0313 296010.1875 298313.1563 340306.5 253529.7656 286373.4063 344344.8438 297176.5313 322870.4375 295363.6875 257412.4688 289570.4688 242658.5 278050.125 288601.1875 277927.0938 218464.3125 262868.7813 266373 312953.3438 268071.9375 240951.6094 312125.5313 209942.2188 SM(d16:1/22:1) 1129977.375 915116.8125 890630.1875 996718.6875 942547.6875 1002638.5 916602.1875 946251.875 1014778.688 822550.4375 677065.625 843168.4375 926967.5 956460.875 1010082.5 1187077.25 887703.625 1309083.625 1051920.375 1095092.5 1050844.625 833509.0625 1138283.875 998362.0625 1011729.625 1037867.25 863678.0625 843485.125 656663.75 867190.0625 808225.375 927755.6875 937726.5625 949532.125 1116423.25 782909 LysoPC(O-18:2) 391592.1563 398454.0313 394598.8438 385696.5 414359.5313 362097.3125 396132.5625 383147.25 372157.9063 392383.6563 419259.75 434119.9063 337136.2188 407067.3438 361533.0625 377191.1875 368741.0313 415527.8125 413429.4063 397299.2813 355792.3125 405466.375 447868.5 377871.9375 362968.4063 420466.0313 316576.4688 385932.2813 311590.1563 343344.3125 340149.0313 346538.5625 418525.1563 357720.6875 404321.0938 285266.7188 2-phthalimidoglutarate 228317.0938 261375.2656 291435.4375 271159.875 320390.3125 261663.7969 387113.1875 283771.125 297312.5313 281082.1875 330025.7813 295076.8125 312322.6875 285416.5313 265083.0938 300590.0313 255282.3594 289288.4063 288584.0313 277480.125 299500.1875 282002.1563 243375.1875 274056.9375 240446.125 267209.1875 271727.8438 249579.9063 257502.0625 247248.9375 301256.9375 317145.25 260856.6563 274040.0313 248725.0156 313789.4375 N,N-Dihydroxy-L-tyrosine 107269.1328 116811.2969 140255.4375 112935.9219 115497.7109 121205.9375 107028.9375 100203.8359 119287.7266 76391.66406 87611.00781 85099.60938 97794.94531 105031.3906 108921.6094 134042.1875 110103.1406 110181.5781 103297.3047 104033.9297 100096.5781 126723.0859 88692.0625 120282.1875 93792.97656 116033 98934.16406 99737.00781 72028.9375 88120.17969 101246.4141 100485.5938 113840.1797 91440.19531 117384.7656 89305.24219 D-Glucono-1,5-lactone 3917630.5 4222481 3814658.5 4265248 4057295.75 4340280 4187979.5 4303186 4241383.5 3627022.25 4662552 4196405 3632542.75 4021119 4593810.5 4414719.5 4156660.75 4232399.5 4249444.5 3841472.5 4548286 4139804.5 4085977.75 4440507 4026269.25 4131571.5 3975396.75 4015117.25 2601875.75 3634933.75 3799125.75 3939503.5 4089115.5 3768095.75 4639070 3328005 Asn-Cys-Cys 184705.3281 213332.3281 249047.9219 235176.6875 184326.9375 225599.1719 214796.9063 276503.25 204393.8594 210480.5469 220166.25 320443 223114.5156 220508.8125 229638.0156 278552.7813 202185.2188 212482 241609.3594 239406.2188 131435.0469 209652.4531 224927.4531 235189.3906 156988.7813 190179.0156 208006.9688 198927.5625 148149.4375 196661.3438 168582.5 226033.0313 164110.4531 228187.0781 201018.4531 321214.0625 O-Acetylcarnitine 21929158 23603012 18551830 22392844 20629250 22791360 21069040 23696084 25749126 18873630 22697220 22097868 19426706 21262166 22085230 23475550 21447042 24582554 21373004 19560208 25485426 22347950 20637338 20916482 20579362 20919874 20531616 22222824 17795900 24114376 21548958 22121920 21983454 20664328 23828852 20470748 SM(d18:2/24:1) 5961499 4689758.5 4913335.5 5298421.5 5021528.5 5260945 5386150 5689535 4560376.5 4375767.5 4372910 4775863.5 4606550.5 4711745.5 5542192.5 5113488 4738411.5 5127777.5 5469334.5 5125465.5 5047276.5 5059927 5164413 5007786 4947475 4868371 5383780 3955987.5 3190201 4913042 5130289 5146059 4912996.5 4782740.5 5095393.5 4206765.5 SM(d44:1) 1030446.313 886998.25 1028732.875 1088524.375 966475.4375 1176043.75 981767.625 1064306.25 1010749.375 869442.9375 906623.4375 819093.8125 952774.375 1067145.125 1066384.75 1011985.75 955249.25 1221684 1087659.125 1011280.125 1062880.75 1040350.438 918427.125 1077695.125 1033107.563 1040544.188 960609.4375 839421.125 287033.8125 1058886.5 1031147.688 908036 1053862.625 1017637.25 1068653.5 643480.125 Methacholine 7553048 6267739 6145953.5 6264188 6803816.5 6632676.5 6237475 7083091 7299884 5682121 7145370.5 6526352 5732178 6844826.5 6573845.5 6314270.5 6454605 6300920 6904406.5 6929676.5 7070912.5 7856261 5929130 7203186 6218590 6773545 7300548.5 6255961.5 5045660.5 6594690.5 7417389 6651301 6525538 6573373.5 7324275 5723394 Amurensine 160716.8125 220379.9688 143142.9531 233710.5625 150509.1094 87102.57813 105381.8672 117684.7969 127027.1484 237693.6094 129806.1172 223034.2344 126192.875 245153.0781 214140.4844 259240.2031 156641.4063 146556.4531 86649.03125 138751.9531 193388.6563 136155.7344 177541.4219 259741.1094 171655.4219 197144.7188 179548.625 178411.0625 132882.8594 50089.36328 111118.4688 82928.89063 240417.5469 128168.5234 247408.3906 N-Acetyl-L-leucine 1374454.75 1423078.5 1286659.25 1556971.625 1425328.125 1678155 1461967 1454563.75 1615304.875 1202081.375 1522390.75 1534601 1299896 1801679.375 1558781.75 1491720.875 1366289.375 1385431.25 1303712.875 1454672.375 1629123.25 1666733.5 1402257.375 1473758.875 1583132.375 1498210.625 1424339.625 1364737.5 968898.75 1238383.25 1423617.875 1370788.625 1441130.25 1218891.5 1518053.375 1337106.75 Muramic acid 1729899.25 1992894.875 1656548.375 1668002 1720259.75 1508841 1750906.875 1691379.375 1753514.5 1316117.125 1631138.625 1579007.875 1293340.25 1750044.5 1876999.875 1827854 1707847.5 1571787.625 1653146.125 1618150.625 1795458.75 1731695.25 1526812.125 1639631.875 1582638.5 1623087.25 1553207.75 1614138.875 1337885.5 1529158.375 1519447 2074281.875 1737556.75 1566991.375 1820224.625 1346506.75 4-Trimethylammoniobutanoate 7894411 6905059 6965005.5 6988891 7290108.5 7200189 6833745.5 7863257 7972433 6186543 7932681 7220950.5 6562157 7556431 6938984.5 6925653.5 6776010.5 6658789 7901816.5 6657111 7774017 8342876.5 6531524 8172345.5 7011457.5 7420551.5 7846239.5 7092632.5 5667655.5 7181942.5 8094029 7482433 6547552.5 7159164.5 7807904.5 5918690 N-acetyl -D- glucosaminitol 684915.5625 712581.4375 692244.5 696503.9375 767692.9375 685580.9375 656954.5625 719611.875 821356.875 564886 717735.125 761941.6875 612539 718464.5 718145.5 741914.8125 651948.75 692013 646001.125 699010.25 827189.875 679112.875 650188.4375 657694.375 673976.875 725109.5625 644700.625 643694.25 486451.2188 622947.125 659867 652796.5625 728411.0625 648944.6875 721269.6875 679136.3125 Procollagen 5-(D-galactosyloxy)-L-lysine 122222.1563 152017.8906 124828.0078 132473.0469 150546.5156 117536.3906 120437.7578 126785.2578 141334.6406 108845.0859 129020.6563 131112.4844 139355.7031 139581.5469 132414.8125 139232.7188 133122.1406 109556.5625 128160.5234 138717.3281 161935.9844 101067.7031 120756.2813 110590.6406 129650.6094 119194.0703 114683.6016 108820.5391 92114.79688 120772.6328 111602.125 129190.5156 115171.0469 128246.2969 133167.6094 91780.47656 Guanidinoacetate 148054.5625 163520.0469 192932.1719 150900.0313 150981.1563 196103.0938 174818.4219 148925.375 161533.9531 98499.83594 184339.2188 162938.8594 130200.4141 150732.9063 168834.2969 157470.0625 150935.8594 148042.3906 138148.125 128262.6875 188566.375 176010.9375 121927.8984 138086.4531 140711.2188 155910.8438 153491.5938 147410.8281 115030.3359 154186.4531 157293.1563 212975.2344 173212.6406 184234.1563 152855.8438 176630.2031 PE(20:2(11Z,14Z)/P-18:1(11Z)) 345921.1563 342964.9063 351695.1563 316762.6875 338594.9063 348722.2813 300999.0625 345245.75 308048.875 273133.0313 332137.6875 287219.1563 282749.8438 355681 346839.75 370160.0938 317327.625 334343.5625 339305.2188 331142.375 303318.4063 296894.0938 354350.125 326273.2188 296060.5 306204.5 321104.4063 302882.75 201730.8438 323958.5938 322218.7813 336134.0625 342148.9375 314832.5938 335352.125 278829.6875 O-Butanoylcarnitine 371453.25 516418.0938 459149.6875 382467.6563 401723.875 382385.3438 388628.25 405555.9375 422796.2813 376045.2188 461299.0625 381953.0625 369398.3125 361149.25 444453.6875 358676.4375 375984.9688 390815.7188 359761.9688 451772.8438 505015.25 414396.375 390573.9063 396465.5 390728.3125 404180.7188 429138.5313 410065.9063 375831.6563 399325.3125 358356.4688 384034.3438 385482.7813 409457.25 400336.6875 363472.5625 Ectoine 200227.4219 181204.3125 212361.2969 254970.7344 226818.6563 269976.8125 238623.4063 281568.8438 194026.6719 148798.0938 216622.4844 227565.9844 180986.7188 255481.3125 336719.5625 314868.1563 165445.0781 263087.7188 263317.1563 312341.875 152005.5938 218763.9688 215835.9531 247883.9844 143392.0469 277484.3125 217560.9531 163286.8125 50386.05469 154768.1719 175948.8594 195886.7031 178569.5469 193438.4063 278961.5 211574.2031 Sedoheptulose 80520.875 95397.24219 77614.52344 87452.9375 84340.54688 88252.28125 81579.39063 78650.57813 93069.80469 72014.25 90861.375 75100.09375 77223.75 79782.10938 101219.4219 90342.96094 94015.79688 80091.20313 80835.42188 79692.30469 92360.80469 91852.79688 84636.96094 86919.75781 84616.85938 82219.23438 89258.57813 85886.85156 59469.94531 79858.65625 79258.51563 85463.66406 84878.79688 79679.28906 96054.53125 66454.34375 PE(O-38:5) 6036074 5732200.5 5801978 5307496 5472351 5115323 5482222.5 4740290 5219511 6252891.5 5925180 5421397 5656067 5539762.5 5348814.5 6318650 4883808.5 5806438 6133341.5 5208719.5 5091191.5 5702575.5 5282942 5288495 4958585.5 5570033 5260474 4754950.5 3697785.25 4963460 5511451 5274104 5330864.5 5121246.5 5453943 4372411.5 SM(d38:1) 3577793.75 3685566.5 4108449.75 3642964.5 3668985.75 3694537.75 3526512.25 3467695 3274195 2935957.75 3315618 3102644.75 3130834.5 3331369.75 3414531.75 4058356.25 3322567.75 3371589 3389978.5 3227173.5 4309820.5 3772445.5 3314564.75 3611813.25 3418698.5 3400870 4035178.5 3581222.75 2676701.5 3569863.25 3796006.25 3772328.5 3203362 3695167.5 3833214 2869401.25 4-Aminobenzoate 739057.875 781998.4375 800406.625 1140517.75 1107777.75 1008779.188 935528.6875 874699.25 860196.3125 828960.25 1112684.125 887972 782759.1875 895922.125 885900.25 817504.4375 818465.125 851656.25 1062410 741395.6875 1005640.938 788777.1875 982415.8125 855921.1875 926211.625 891339.875 877505.625 809678.625 692419.625 777542.875 897805.25 825312.6875 979817.5625 818281.3125 859513 880147.8125 N-Acetyl-D-glucosaminate 517036.0313 535939.6875 494587.25 530194.625 559926.875 506602.5625 530385.8125 564024.25 543471.9375 480800.6563 593434.75 506655.1875 438591.5313 571111.75 560616.9375 555761.75 523900.875 515185.4063 545497.0625 508710.4688 591641 562992.125 524933.875 528802.875 518441.625 509563.3438 539435.6875 569796.3125 1012348.25 507942.1875 517088.5938 504360.75 551259.5625 498245.875 580847.4375 385160.4375 N-Ethylmaleimide 125131.6875 159099.0313 147820.1719 199432.5156 156385.125 182852.1719 171206.3594 172974.0625 176829.4219 163131.7344 209768.6094 191755.25 134675.7344 156267.1563 169831.6719 211672.4375 161612.1094 178944.0625 177815.2656 188606.7031 164905.1563 203417.5313 154164.6563 191249.25 135610.5313 175253.2813 171414.7969 209909.7656 112127 153449.9375 142309.0781 162537.7813 161010.125 159957.0938 175222.3281 151731.9375 O-Propanoylcarnitine 2394617.5 2568101.5 2048870.625 2397127.5 2504308.5 2557637.75 2231865 2404915.25 2513066.25 2146598.5 2421200.25 2810015.5 2021907.375 2322697 2731441.5 2864088 2455561 2258271.25 2324935.75 2256164.25 2713649.25 2850202.75 1977347.625 2075907 2340150 2429609.25 2301075.5 2256874 1918039.125 2148009.25 2273415.5 2422999.75 2389438.25 2318316.75 2345269 2188313.25 Mannitol 37110032 39552436 38248408 37132052 39557264 40976940 45310788 39878040 42652440 35101844 44627924 38646084 35262076 41671896 42710520 40533760 37351404 39909700 40733128 37321340 40109740 38609196 40792700 40296488 40422540 39557904 39023844 35997744 28679020 37212600 38921520 38357672 41534676 39642084 44770376 37170796 PE(36:2) 535483.125 580903.5625 541563.1875 497933.8438 446998.2813 474526.8125 559671.125 505768.0625 534674.1875 465408.125 550982.625 539693.375 497921.5313 523913.625 539774.1875 532841.25 480878.5938 535986.9375 555868 481737.1563 518961.625 487877.5 593107.1875 569932.8125 523734.9688 560371.375 515792.7188 504847.5625 438188.9063 480147.4688 468141.7188 570347.875 500917.875 519469.875 511219.4063 531631.9375 Gibberellin A20 244107.9219 229001.0313 169800.9844 164078.9375 229005.4375 204924.0625 230030.5313 174027.6563 190246.3594 218746.1094 148866.1406 252960.2656 194250.2813 170308.4063 152206.1563 208713.3125 202243.1094 157297.6563 183596.3281 224123.0781 163082.9844 166288.8906 250889.1094 226614 176452.9688 218887.1094 226245.6094 161882.0938 111757.4375 138734.0469 147017.1719 203513.3438 200366.2031 190186.5938 213857.0781 185584.5 PA(36:5) 94743.35156 108639.2734 103172.7656 92357.49219 111306.3203 87021.99219 89945.21875 94033.70313 105967.2578 76217.16406 84667.11719 107112.0938 83386.46875 116319.6328 103395.3906 110517.5078 76611.42188 95578.14063 82489.875 87581.95313 74457.50781 92617.32031 92471.25 113134.2734 80191.4375 95795.91406 89583.64063 96793.77344 59152.67188 96906.78125 86885.66406 89235.61719 88102.14063 86828.50781 102701.6484 60406.18359 Met-Ala-Gly 1489498 1544802 1433570.25 1371787.625 1486108.875 1502622.125 1361058 1631761.875 1396160.875 905343.9375 1177706.75 1084254.25 1771664.375 1906276.5 1670025.875 1919571 1673097 1941165.625 1693937.75 1373305.5 1393098.375 1365411.875 1212438.25 1766685.625 1377754 1525397.375 1416095.75 1264010.125 399506.125 1496280.125 1323899 1459958.75 1434994.125 1115876 1400476 704807.25 PC(34:1) 83578456 86669824 77510440 84272192 84842448 79951864 84148472 76871504 80440176 68659560 79978208 79080816 77089520 91594336 60497316 88748312 78885400 83026448 85594720 84403232 91355216 79603344 82491192 89521216 79846168 83733208 82965728 88006040 65235268 89110240 84580064 85333952 78690960 82761040 88206728 72589760 PA(34:2) 965721.9375 920913.8125 826479.1875 809340.5625 728432.8125 725529.1875 861082.5625 796715.25 777037 627877.5625 736731.1875 753496.25 719352.5 838117.8125 869695.75 906121.4375 705779.0625 759362.8125 839993.9375 789825.0625 716589.375 916382.0625 835691.9375 750835.875 734739.8125 861679.5625 804741.1875 743782.625 540226.375 728166.6875 790513.0625 812404.3125 825776.5 694138.875 837008.875 505587.2188 PA(34:1) 1233916.5 1273521.875 1066639.5 1211672.5 1066642.625 925800.6875 1163796.375 1027624.375 1014236.25 873688.5 995989.3125 1014136.25 980520.6875 1095854.875 1207923.25 1346513.875 921227.4375 1019158.688 1132698.5 1017173.75 950870.625 1116075.5 1134967.625 1019911.875 971909.8125 1100633.375 1055013 1005417.563 596852.5 928539.5 961464.5 1012324.625 1052370.75 998252.25 983542.5625 666039.625 Asp-Gly-Arg 187700.5625 249700.375 214851.5938 197737.8594 199664.8281 194640.8594 221511.8125 211263.1719 202255.7031 154158.9219 198572.6406 181907.9844 175632.2344 202923.5469 222466.0781 227814.0313 177959.3281 178223.6406 205905.6719 181904.4531 196392.9219 218844.625 185515.2656 210169.5156 184892.375 222529.3906 217234.9688 171184.9375 143447.375 210348.0938 219929.625 195950.3125 171962.625 185068.5625 188543.0625 173334.7813 flaviolin 58348.22266 86833.625 69905.125 59634.84766 69961.85938 78985.44531 83828.33594 54011.625 55282.78125 66756.10156 85265.83594 46801.14453 55873.37891 83160.32813 78576.39063 56472.3125 64467.875 80166.9375 72696.47656 66449.50781 76787.07031 59850.69141 111745.1875 73064.50781 62404.83594 81340.03125 84721.25781 88261.09375 45126.98047 76430.09375 58491.25 62495.28906 57294.48828 79568.25 78127.125 53436.53516 Slaframine 3987614 4375120.5 3498763.75 4339753.5 4091515.75 4140242.5 4075509 4772663 4285050 3187527.5 4558730.5 3350856.75 3322022.5 4004072.5 4215834.5 4157829 4719048.5 4036844.25 3914605.75 3751647.75 4442055 4111233 3839935.75 3736538.75 3958358 4271295 3748818.5 3937690.25 2596961.75 3364579 3684673 4409587 4023091.25 3789312.5 4171684 3277933.5 [FA (5:2)] 2,4-pentadienoic acid 239348.8906 280026.6563 245724.4531 297355.9688 256057.6563 263985.875 267943.75 331540.5625 265332.375 256669.8438 282003.1563 288034.9688 203994.4219 290303.9688 284294.5 273538.75 248129.8438 253173.1094 240925.8281 239104.9375 273558.0625 233844.4531 263687.375 249415.1719 226869.2031 275228.4375 253280.9531 251638.4063 225359.8906 279581.1875 245810.25 262903.125 278201.3438 240503.5938 261520.2813 247273.7344 4-Pyridoxolactone 186219.75 194232.6406 166761.6719 170172.5313 162768.6875 175091.7969 189904.7969 170955.9688 166132.7344 159051.7656 180361.9531 190010.1719 166587.1406 202693.9375 173491.4375 194264.0156 177072.9844 222057.0313 180460.2656 158557.4375 186059.8906 173545.5313 180108.5 179616.7031 197810.2969 169685.0313 190764.7031 153244.75 149881.8438 164312.7813 218811.875 178257.375 137451.2188 186436.6719 148579.9531 199481.9531 [SP (26:0)] N-(17Z-hexacosenoyl)-sphing-4-enine-1-phosphocholine 1914326.25 1535010 1613769.125 1743628.875 1428581.625 2032163.125 1639833.5 1728516 1656727.625 1473456.625 1780577.625 1470055.875 1475637.875 1686726 1819642.375 1864130.5 1572823.625 1703342.25 1821691.5 1693897.875 1736091.5 1621629.625 1440855 1800560.375 1544843.5 1770670.375 1605007.25 1607102.125 742707.375 1709461.25 1602431.5 1611236.125 1830464.5 1655318.875 1718725.5 1248857.75 N-Acetylornithine 540431.75 586880.75 485893.0313 564512.8125 485747.4375 473530.4375 601320.625 467102.1563 557596.625 473396.25 596410.125 513424.3125 409205.25 525871.1875 549324.5 584979.1875 529844.4375 498378.5 469890.5 488726.5 574835.25 545121.625 589993.0625 495950.3438 561669.6875 566488.25 533131.4375 525899.375 443956.875 494047.75 478201.3438 574517 485982.5938 500716.5 514406.375 439867.9375 Asp-Arg 81397.19531 88189.35938 75558.88281 80045.50781 117886.8594 115319.0859 116354.5703 98972.625 86874.48438 70690.96875 90234.34375 78791.57031 78017.23438 77978.28125 75243.59375 92441.90625 75823.82031 99077.39063 94422.57031 76768.79688 92310.82031 99568.44531 90736.94531 96926.35156 95137.70313 84907.34375 88670.98438 108795.0781 73243.4375 81558.17969 99647.70313 96592.61719 92404.61719 75842.28125 102600.3047 74973.14063 PE(36:4) 4191260.5 4209650 4304187.5 3991960.75 4165204.75 3610442.75 4060229 3835195.25 3957280 3536056.75 4403943.5 4123501.5 3657029 3718581.25 3968388.5 4406958.5 4021816.75 3963399.25 3740242.75 3767439.5 4123055.5 3851740.5 4108572.75 3622043.5 3704994.5 4055474.75 4170037.75 3708247.5 3893001.75 3776798.75 4047656.25 4102278.25 4051289.25 3791214.25 4078742.25 3388705.25 PE(P-36:4) 1979620.875 1965401.625 2259650 1918917 1985594.5 1791165.375 1908873 1765460.25 1729043.125 2094043 1943726 980323 1907516.5 2042869.25 2156975.75 2551389.75 1950471 961971.25 1979750.875 1948743.75 2026763.375 2028952.125 2126358.75 1940095.25 1793182.125 2055251.5 2163125 2077990.625 1853870.375 2071311.25 2067798.375 1607334.5 2098265.5 1926038.875 2062483.75 1824057.125 PA(36:4) 482807.4063 476918.0313 437512.7188 491260.6875 438457.7188 430239 529008.875 391419.9688 377448.0938 376344.9688 424725 410031.8125 367288.25 477591.3125 494966.0938 515755.2188 421922.0313 430352.1875 420487.3125 506058.7813 350851.125 398250.125 450400.5313 421421.7813 384492.2188 399366.9063 431110.25 399921.875 308415.9688 401767.3125 406018.4063 486494.6563 430907.75 394515.9688 419613.6875 300858.3125 Pyridoxine phosphate 246727.0781 225475.375 211339.7188 245831.6094 188166.125 172198.375 204241.3594 191993.4688 215174.4844 194289 204710.25 193101.6719 181259.2656 205949.9375 223820.5938 230672.0625 228052.3125 218854.7031 203451.4688 198612.375 211875.3125 218508.0938 198683.5156 219627.9844 206095.7031 216824.0625 219524.4063 204142.9531 167945.6094 204857.4844 196912.8438 197353.5313 197996.0625 184584.5469 236427.625 153012.3906 Creatinine 215030.8281 399856.0938 512016.6875 459841.1563 456632.0625 502486.2188 471719.8125 459448.0625 405540.0938 284849.2188 554889.4375 505682.6563 329582.6875 541887.0625 359320.5313 428054.9375 474678.1875 416021.9688 482524.1563 419491.8125 374887.9375 393891.2813 508923.0313 384521.2188 346740.125 418522.25 352239.2813 541181.0625 208965.0625 393832.2188 428653 415122.25 368760.5313 506332.4063 573397.875 413683.625 CTAB 105270.6172 109857.4453 93994.26563 113764.6094 93256.14844 88721.60938 99583.10938 105449.4688 105621.3047 76415.20313 118096.1484 125087.75 84419.99219 108455.9453 143229.7969 109945.7266 98629.78906 134151 102674.7813 107740.4453 110711.4219 104597.5625 95916.38281 111251.0625 104577.9844 106921.8906 97247.57813 112991.0547 86586.89063 98087.25781 93677.03906 117275.7266 94858.42969 94603.75 119774.4844 97051.375 PC(36:2) 35297600 32464608 32593780 33037238 35117160 31474698 34042664 32566916 34218844 27259784 31323452 31685346 31270338 32264342 33220436 33973120 30146460 31881660 30319336 31287894 34296944 32326234 31481346 32873668 31666682 33953896 32605818 32587554 25934296 35068644 31093228 33851332 31344850 31982682 32697362 26148060 Stachydrine 577175.3125 608417.1875 549363.5 595296.625 545328.5625 597737.625 569174.4375 672783.8125 637176.3125 621287.5625 681207.0625 624538.8125 593616.25 628454 607889 717034.625 535303.0625 608677.75 619052.4375 572245.125 653197.5 644958.1875 551274.375 570605.1875 569828.25 638758.375 617673.25 593004 453321.5313 527407.625 585529.8125 551367.5 521088 549440.9375 668003.125 565133.75 ancymidol 427972.9063 421229 382906.1563 367676.5938 383438.8125 362821.4375 401857.5938 354277.5938 409555.5938 315413.4063 365313.4375 337946.1563 327728.7188 380743.4688 380498.9688 406978.9688 361182.25 380859.0625 351819.125 341275.875 344355.125 432204.7813 337046.1875 335895.5938 315136.75 436201.7813 339914.1563 360039.0625 501908.1563 312052.6563 345205.4688 317604.4063 372024.875 389172.5313 484432 248382.4063 Phosphophosphinate 83525.67188 111871.6563 127819.8359 90375.8125 95912.07813 152921.7188 113119.9766 101078.6875 104535.0469 106663.0391 135019.9844 138230.6406 95089.88281 137704.7344 120152.0625 119742.3594 76660.99219 120442.1094 115339.8125 89472.35938 97933.64844 111230.4609 113294.1719 116876.3359 91324.38281 145003.8906 112414.7813 91457.48438 96147.4375 100899.9766 113347.25 102674.0547 87673.17188 125873.9922 149728.2344 77217.45313 PE(P-38:6) 2133654.5 2179096.75 1741826.875 1897097.625 1922550.125 1493659.75 1744823.25 1762341.25 1762598.875 1985547.5 1702285.125 1789371.125 1768122.75 1669189.875 1803203.875 1857717.375 1484325.25 2013890.5 1585531 1775173.375 1665554.875 1941588.875 1743522.375 1684549.5 1746273.125 1976812.75 1680121.25 1666025.375 1304559.5 1714648.875 1808854.75 1763472.75 1814384.75 1722544.375 1885186.375 1624483.375 PE(P-38:5) 4182344.5 4678711 4164783.5 4122003.75 3421126.75 3772354 3766374.75 192381.0313 3701318.25 4588404 4289894.5 4026038.75 3833759.75 3969338.75 4251685 4459565 3745788.75 4360220 4427280.5 4197658 4377391 4129624 4098725.5 3773381.25 3785318 4490712 4245983 3946073.25 3277746.25 3665682 4389913.5 4610015.5 4114115.75 4045154 4181463.75 3753390.75 PE(34:4) 166630.7656 163819.6719 164638.1719 141790.5938 180192.6719 139606.4844 150345.4844 175437.1875 151243.3438 110522.5078 183259.7969 131108.9688 124341.2578 130990.6484 149798.3438 200165.6406 203036.2031 151135.7656 141533.6719 138487.2344 122879.3359 157453.2344 144525.5938 168591.8281 161334.8125 161270.5 146466.1875 127695.9453 135659.6563 169122.4688 149089.0156 180578.7344 141773.0625 168956.4219 179535.0469 109706.3906 sn-glycero-3-Phosphoethanolamine 306225.1563 320286.25 304398.6563 329735.0938 332886.0625 292882.1875 293621.25 326280.125 343461.7813 280993.2188 338956 309057.5625 222665.4375 259944.0938 327098.4063 379102 315774.5313 352115.8438 313378.7813 288734.9688 310452.7813 292983.7188 264385.0313 279200.6563 283535.125 261540.7813 309367.75 299758.7813 237804.9219 276713.5938 309720.6875 334935.7813 343363.7813 327856.7188 326346.25 274375.6875 PE(P-40:5) 3225713 3420923 3125199 2842136.5 2800189.25 2667372.5 2783028.75 2676787.25 3073316.75 3344753.75 3139550.25 2743878.75 2868126.25 2619681.5 3131373.75 3183615 2736532.25 3630288 2820275.25 3000917.5 3044382.25 2882660 2665769.25 2951002 2633337 3189623 3006888 2786691.75 1870553.375 2849805 2760170.75 2914592.25 3017995 2675374.5 3047803 2541887.5 PS(40:8) 120729.7031 173807.5938 135547.625 195004.5625 126515.0625 127816.1406 171954.1406 138738.1094 168706.0625 140291.7188 153396.6875 162776.0938 142715.2969 164237.6719 147672.2969 182736.3281 143168.875 148689.125 157935.125 175329.3438 169920.4375 165135.375 149688.5781 138889.6406 150136.6094 160432.9531 160483.1875 157453.9844 121131.2734 172329.4688 149728.2031 162909.6406 151173.25 139149.5625 145562.8281 104689.9922 Ethanolamine phosphate 151780.2969 180757.7188 187380.7969 188900.375 177516.8594 161132.3594 160121.1563 167192.625 206941.9375 127114.0938 222503.9844 167821.6094 246441.8125 290092.7813 341219.3438 342889.0313 181906.8281 156265.0469 196278.5625 172748.2031 304143.9063 306245.5625 243702.0781 283104.7188 300387.9063 291788.8438 266544.5938 289973.5938 229819.4844 262473.1875 257346.75 295054.5938 179480 145380.7344 189922.7188 147954.3281 PC(30:0) 2715670 2414820.5 2239965.5 2442632 2804312.75 2502120.75 2681504 2575877 2633637 2318395 2445398 2622522 2594114.5 3102634.75 2870170.25 2715431 2415290.25 2671125 2889891 2654078 2680203.5 2491441 2758228.25 2546760.5 2631840.25 2796975 2633430 2553190.75 2103861 2568442.75 2873020.75 2950672.75 2377863.5 2791934.75 2897927 2184176.75 (R)-2-Hydroxyglutarate 10084295 11421776 10026057 9807834 9769458 8911788 9202590 8620652 9595850 8956731 10152698 9953259 7753383 8929735 9807050 11469873 8846269 9131615 9382865 9168196 9953741 9005027 9693138 10023596 9611902 10193522 9698585 9717432 7140369.5 9102709 9010697 9534687 9562626 10036561 9898328 8654215 PE(32:0) 1590218 1462786 1286368 1384219 1234469 1208196 1289274 1228933 1247151 985071 1220956 1210487 1131966 1254751 1352766 1567447 1231567 1283149 1280145.25 1157711.875 1107247 1183803.875 1114522.25 1306277.875 1164637.625 1202055.75 1209380.5 1208083.125 803275.25 1225963.25 1284710.625 1347913.375 1231797.125 1265482.5 1306910.5 815001.3125 PE(36:0) 1900690 1698402 1368243 1404833 1657444 1697970 1505232 1591849 1596126 1350842 1504306 1511249 1329827 1855455 1656059 769828 1651168 1623840 1768267.125 1570750 1491787.375 1504565.25 1415105 1677249.75 1492336.625 1546620 1581242.625 1586263.5 1325483.75 1487142.625 1649942.375 1834965 1258898.5 1372765.375 1750438.25 1354445.375 PC(38:4) 12012037 12025251 11665938 11965308 12359555 11893658 12084950 10786121 11371340 9645501 11192296 10076420 11589564 12186089 11907968 11621538 11427972 11376408 10670243 11458141 12129802 11808507 11237406 11492060 12674536 11378263 11894607 11641822 9393889 11742597 10889410 12587903 11485110 10804490 12376413 9869999 PE(34:3) 780266 762699 764431 733611 690638 704749 745025 636657 742354 617520 792058 681627 798377 779013 787218 833044 639080 735670 635584.125 637110.8125 636952.9375 690074.5 716179.0625 751598.75 661245.125 786793.625 741866.8125 663360.875 557827.3125 731873.8125 843472.75 729491.1875 698320.75 702175.25 713285.375 506190.5 8-Amino-7-oxononanoate 1757923 2155116 1744510 2070374 2190720 2150089 1990747 1983576 2058535 1741665 2059194 2002560 1800986 1981497 2032314 2045527 1908002 1907251 1959283.375 1880428.625 1924342.625 2149911 1879652.375 1761713.875 1962923.875 1900662.5 2040841.25 1979507 1370788.25 1728263.875 1804782.25 1819352.25 2062755.75 1754320.875 1981765.125 1800153.125 Hydroxybutyrylcarnitine 383443 357552 368207 361503 396476 359885 339406 438198 437049 326033 405675 379086 316717 358312 436682 424229 379794 354694 416790 471309.2188 468227.4375 397960.625 340601.875 365640.6875 489812.5 380556.0938 372840.3125 365554.5 318565.1875 349694.25 415903.3438 345305.2188 461670.5313 401917.4375 429768.6875 341049.5938 Ala-Ala-Ala-Ser 418835 467586 391340 450720 502980 469968 461908 431113 508650 356871 417586 421998 367800 432184 479397 530229 409164 444662 437303.5 382437.8125 479940.6875 464815.4375 415742.2813 445055.0625 431139.4063 544439.8125 425729.125 446382.5625 314850.0938 450780.3438 413407.5313 456626.875 443167 406601.0313 450381.5313 334794.5 NG,NG-Dimethyl-L-arginine 58574 65725 52047 66751 72067 73669 65533 75989 78013 59313 75089 72707 78701 87560 97967 107302 648554 717554 825861.4375 725355.9375 95811.75781 72613.96094 60569.89453 76642.875 83702.32813 75446.85156 79743.21875 74332.3125 62859.00781 67221.49219 77058.58594 76222.625 67002.39844 82716.45313 69688.27344 91422.40625 1,6-diaminohexane 80933 70475 65237 92344 97331 132717 96078 113463 78135 82069 100740 94706 95111 74463 68106 80424 88345 102574 97789.51563 64551.08594 76768.33594 73412.45313 79040.48438 84722.5625 75657.89844 72225.10938 90036.10156 83844.38281 81004.11719 89897.64063 112495.2109 96716.40625 72827.78125 98397.34375 61535.54688 87985.80469 L-beta-aspartyl-L-alanine 132951 157903 142131 167654 169351 160343 159639 138627 161398 107400 162980 137838 123915 155392 166517 160894 160460 164864 153160.0781 133907.8594 149378.4375 155561.6094 131899.125 135472.1719 161228.7344 135235.1406 143321.7031 147621.8438 102628.0859 143377.5625 179907.5938 156008.3594 165632.5781 128926.25 165066.7344 99899.625 N6-Acetyl-L-lysine 491696 593577 456958 513771 569662 557523 513228 491725 548996 403135 606436 471722 472782 522706 550729 540975 484850 515822 590192.8125 470973.6563 526563.875 529636.625 459197 493999.0625 502903.6563 588978.0625 528281.5 447192.4375 327259.2188 470491.75 512036.0313 495912.8125 468815.5938 476589.625 540593 396661.5625 Elaidiccarnitine 3331785 3580432 3709663 4099606 3311305 3684827 3720045 4293125 3520214 3018726 3904573 3800674 2179616 3630744 3721973 3791877 3120933 3016968 3050735.25 3317879.25 3468936.5 3314811.25 3071850.5 3135816.75 2829778.5 3370246.5 3730693.75 3436270.75 2540806 2748764.5 3394853.25 3405260.25 3704750.25 3158830.5 4123983.5 3335559.5 Lys-Met-Phe 89364 109931 104045 113204 81291 96992 93631 77297 96692 97463 105887 88960 85379 92639 95262 109968 80128 100203 105821.2188 120277.9922 110581.8984 96209.53906 91532.69531 101419.4844 101767.7891 104078.2578 106044.9063 99414.94531 63977.71875 95068.96094 104196.0781 97273.64063 94874.44531 113732.5156 80753.1875 89472.85938 PS(38:5) 4110663 3827046 3647385 3676255 3716834 3543532 3754804 3640631 3955389 3002579 3656435 3825930 2803279 3620380 3932225 4298579 3551189 3448665 3516014.75 3422966 3347521.75 3586611.25 3275299 3595143.75 3389462.5 3588271.25 3653759 3572540 3266252 3612332.75 3835374.75 4164397.75 3316259.5 3848429.5 3639809.25 3001467.25 PE(32:1) 1249573 1192872 1024252 1124632 1186010 1086617 1084902 991445 1089687 830155 1027101 1078253 900093 1053238 1287467 1294741 1088119 1126326 955439.125 1010126.625 953499.3125 1035466.125 1034098.188 1119445.625 948821.5 1102263.625 1109364.625 1106487.25 687053.5 1074362.5 1090920.875 1070873.125 971894.5 1119637.75 1098832.25 759876.3125 L-isoleucyl-L-proline 1186304 1151023 1000027 1067088 1066692 1145174 1183993 1190856 1182335 1091180 1108693 1066382 892528 1039171 1273438 1108167 1020251 1071392 1058101.375 1047088.688 1153845.25 1105906.75 1022504.625 1127104.25 1077147.875 1301585.25 1139832.5 1024461 818854.625 1142102.875 1095998.875 1124297.875 1131997.5 1067807.625 1138661.25 870290.25 CMP-N-trimethyl-2-aminoethylphosphonate 2576539 2885120 2437566 2903887 2449751 2344775 2552985 2471239 2330498 2141303 2517486 2719487 1986462 2465779 2719085 3004941 2409256 2474350 2483835.5 2470148.25 2369938.25 2519620.75 2691645.25 2685244 2426673.25 2758504.75 2702324.25 2690225.25 2052263.125 2519441.25 2399124.5 2509399 2568447.5 2651343 2467173.5 2246155.25 PC(40:6) 3965206 4072420 4133492 4079401 4353090 3755029 4004586 3733888 4340363 3113840 3785923 3592842 3505935 3804020 4277808 4108430 3652131 4203855 3791715.25 3787241.75 3873149.25 4316410.5 3627079 4063838.75 3946132.25 3753672.25 4426095 4259885.5 3167892.5 3816124.5 4248156.5 4252332.5 4071582 3520278.5 4228640 3088620 Cytidine 87473 104515 98614 111453 97239 112569 87338 109148 107869 119006 120246 148513 28573 29814 47241 50154 136719 133326 119506.6875 131779.7969 71356.39063 70246.92188 56918.30469 61171.82031 65838.39844 67650.47656 59329.40625 75175.80469 101877.6094 66264.875 67919.41406 68386.46875 122126.2031 108987.0938 146166.7031 109795.6797 Resazurin 65295 92168 93762 105654 76288 113648 93492 73351 65839 65192 97490 86094 68343 103533 73239 64711 63964 93562 91016.28125 83664.75781 65124.33594 88617.60156 80374.21875 78633.07813 63122.40234 103260.4219 85644.46094 70734.96875 45655.42578 71511.92969 86706.45313 89669.70313 68127.80469 104394.6094 130125.3516 54101.05469 D-Gluconic acid 12991048 14087843 13312163 12575273 12972779 12975163 13138433 14004367 14632165 11797808 14778219 13525485 10832093 13319617 14115974 13804584 12898528 13005991 12843554 12437909 13186077 13511418 12625353 13319249 12840863 13773808 13756462 13987126 9806797 12539738 13639636 13163483 12677923 12994179 14386504 10927443 PS(38:4) 25827218 23370726 21965692 21181572 21469822 20331922 22006492 20771690 20734316 18077082 21068450 21735252 17488898 20694106 23074128 24605196 20518970 21090912 21423902 19491024 19322214 21745710 19601412 21357246 20192792 21333902 22467172 20744686 18727852 22411796 23052204 22463208 19939108 22452632 20852634 17347150 Cholesterolsulfate 901067 894754 829475 884776 883437 801661 777500 805745 866056 726298 884424 801077 735410 871067 853579 927845 790505 864591 835808.125 876834.625 788753.875 799549.25 802740.1875 806048.3125 788005.75 878817.3125 857211.125 779736.125 601209.0625 771860.25 808956.625 802698.4375 821894.75 815305.0625 897356.375 613749.9375 Cholesta-5,7-dien-3beta-ol 172802 214540 198875 246725 181157 210621 210340 216763 197252 167043 231993 203625 179181 208388 226137 208592 171002 169082 232680.2813 202664.9531 204829.8281 176934.1094 199021.5469 225069.7344 217641.3125 195947.2344 193473.2188 230102.3438 178996.5 161010.9688 180331.8125 178929.3906 193561.3438 200195.2188 219080.0469 263752.7813 [ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene 325850 293312 322167 290139 1184512 299309 284500 278717 1443425 1273412 282158 316798 803522 310151 252758 472463 893486 263957 257513.1875 262766.5625 353936.9063 585467.3125 280974.9375 266886.3125 572963.25 267771.125 358964.8438 345395.375 284288.9063 312806.0625 351795 290150.8438 1193919.25 335794.9375 276443.75 372218.7813 3-(4-Hydroxyphenyl)lactate 101979 107212 103467 113880 116127 125675 116649 119979 116895 67688 117160 110159 72858 105904 97755 107443 93349 87870 89878.60938 92365.14844 92700.4375 105984.1953 94646.85156 90206.14063 100716.5859 111385.2266 89101.65625 98101.27344 91055.36719 95529.53125 99518.64844 95738.51563 113900.5234 105658.3359 138273.8906 95868.25 PS(34:0) 1557184 1151624 1010267 1037050 1063529 1159971 1117371 1173437 1041281 961319 1144801 1184644 955116 1288264 1287444 1429261 1235250 1310564 1338673.375 1151029.125 1091384.25 1247481.625 1163177.625 1155944.125 1297323.125 1226656.5 1239235.375 1112529.625 799009.9375 1204358.625 1477108.125 1337870.125 985088.875 1078496.5 1100778 810293.4375 SM(d36:2) 2924031 3112978 3408077 3467887 3080831 2882582 3187400 2960822 3035454 2491449 2708324 2849661 2259881 2518651 2991545 3448810 2902217 2818524 2781976 2993100.75 3065148.75 3392646.25 2504058.25 3176434 3553767.75 2977092.75 3299508.5 2875398.5 2541782.5 2952415.75 3344931.25 3175878 2981414.5 2887643.75 3687026.25 3096395 LysoPE(20:4) 332505 290127 349144 326926 343395 463472 453706 455163 385587 402898 461340 433481 221101 236268 434495 396485 225193 207085 391380.8438 344936.625 331802.5 344485.4375 386740.4375 346201.7188 257766.5156 444134.375 394586.3438 379184.9063 312705.2188 327539.9375 331858.125 340783.7188 333678.0625 461258.4063 341258.5 492917.75 Vicine 118738 122813 111955 130358 137448 118422 142129 132626 149620 119616 125248 116216 98909 91278 132639 127878 99987 117363 86728.17188 128875.9375 119852.6094 116634.8359 101217.5234 144952.8281 135181.5469 124913.6641 117959.6094 127846.8281 88014.625 119826.5234 112655.4609 147640.75 141200.9688 113962.75 127422.1953 97900.125 thiomethyl glutamate 101708 120520 117906 112675 110461 110345 122582 100821 114382 119024 125594 134765 89605 119042 130809 132784 111728 107068 111304.8047 106900.5469 122634.6797 103528.1094 123032.8359 107845.3281 117367.1797 148382.25 111549.6172 102791.3672 119669.4844 101512.0781 120908.6563 110494.8906 121123.1406 139502.8125 112964.4844 111726.9375 (S)-Malate 6078925 6186434 5721119 5970013 6237205 5761163 6726863 5981874 5512715 4789863 6362506 5692576 4375725 5548765 6326564 6334984 4526404 4499927 4836935 4559396 4879529.5 4847825 4414780 4929227.5 4545849 5343045 5156748 4989336 3259958.5 4781930.5 4483829.5 5297174 5328126 5720570.5 5766955 4797066 Taurine 3301634 3900999 3429478 4026182 2698060 2954866 2772263 2542394 3079365 3699044 3446222 4037992 1863012 2951921 3350163 3654349 2813224 2415544 2487863 2522661.75 3656852.75 2530145.75 3639009.25 3524656.25 3352502.75 3833831.25 3286498.25 3562964.25 2610682 2470076.25 2938061.25 2364636.5 3022005.75 4241415 3244592.25 3648333.25 D-Arabinonate 715747 824786 750982 842712 784172 750146 814724 777273 810754 692263 816009 818588 634281 918031 885880 919433 765829 761430 780936.8125 790516.3125 828585.3125 791959.6875 758034.5 799886.4375 812013.625 838743.0625 853867.9375 837333.0625 196685.4375 731256.6875 767295.3125 795757.375 728074 865556.5625 864494.4375 684258.875 Ala-Leu-Gly-Arg 166769 112490 104223 90843 125115 65901 79544 78736 139839 131964 98621 107447 81905 80569 103215 100438 102842 82925 100221.7969 79008.76563 209120.2031 90278.75 73066.14063 83829.46094 209652.2031 89883.07813 80654.00781 99773.14063 118114.2969 71391.57031 65867.74219 86810.625 155809.5625 99760.125 77825.39063 100627.8906 Lys-Thr-Thr 196834 223120 239197 208048 186357 180933 195231 200426 237709 202006 243845 197433 179429 181472 194191 215662 208632 208808 193354.6563 194602.4375 191320.75 235287.1563 201791.5781 196558.2031 208687.7656 228461.6719 211893.5938 219177 151786.8594 215183.2969 238105.0625 214610.3125 209301.9063 172008.0469 204746.3906 153510.9688 L-Carnitine 14648897 19328542 15734407 15349234 15595497 19682980 14980896 16297264 16967970 12538941 18496332 16713409 13237211 17786438 17849264 19315796 17377506 16471712 16275838 20767172 18649506 17847864 16819812 15383137 17941642 16826666 19896324 17653568 11319484 15069045 18137488 15990994 15144931 18355466 20676694 15542117 Otonecine 112204 114721 114298 132034 140469 124972 123596 116740 120379 112344 125801 118882 99740 130189 126891 129439 122270 121250 124566.125 116870.6719 117808.0781 112398.0234 113238 126638 125748.4297 108912.2734 122042.3203 138253.3281 91557.38281 109413.0859 115498.125 128003.6016 115638.1016 109678.7969 141587.625 114082.2578 Thr-Trp-Cys 225535 214013 186863 203468 151656 155604 167143 169216 199211 141379 136409 164925 139361 151115 206886 223130 183859 197234 173189.8125 167778.2344 190141.8438 187879.75 144379.1406 198889.4688 168770.3438 182612.625 193861.125 214470.5156 199424.7031 158810.5 232164.2969 204131.125 149999.5469 159401.2969 184632.0781 110779.6641 PI(38:4) 1609823 1855494 1394631 1598345 1381518 1253275 1582959 1474477 1375515 1211127 1401812 1662350 1179148 1435228 1425993 1671518 1229987 1291111 1545754.25 1438639.375 1250839.5 1442054.5 1466871.5 1285937.75 1371305.5 1544704.75 1383918.625 1436332.25 1407855.5 1468109.75 1340330.625 1414594 1454710.75 1426163.375 1559314.625 1083022 3-Amino-2-piperidone 72739 101316 97559 84117 105856 131890 129177 116078 90551 87487 115933 120424 83110 88501 77594 122683 81404 93653 103624.125 101130.4141 78527.53125 87142.8125 68106.85938 120508.8438 73906.14844 122598.0391 103759.9688 73113.67188 56403.23047 76103.91406 98202.95313 148448.9375 86708.78906 65633.42969 118118.1172 118328.2266 PS(42:10) 517709 432922 497963 435555 399142 363619 404885 476215 398879 337286 415893 434577 353583 408013 508600 485972 373134 425935 422469.9375 393672.6875 392375.2813 424287.4063 376373.375 391134.6875 382800.9063 415214.5 436204.4375 437117.8438 335336.4063 411671.8125 413532.7813 475148.8125 419107.3125 398032.6875 466275.1563 406976.4063 PC(40:5) 2666847 2607323 2604677 2344758 2548420 2517034 2553973 2536443 1114712 2619328 2785324 2503078 2100955 2354296 2605326 2459470 2386387 2737605 2318895.75 2416488.25 2324619.25 2368535.25 2355016 2156507 2137006.75 2476579.25 2695001.75 2408675 1808555.375 2122877.5 2592372.25 2886897.75 2656216.25 2279367.75 2599277.25 2136292.5 Ile-Lys-Pro 2556747 2576995 2310912 2580145 2409813 2509502 2350983 2398645 2533723 1975962 2560773 2163392 1769345 2269499 2794759 2818728 2281532 2615543 2485826.25 2434617 2282192.5 2460461.25 2075547.875 2554863.25 2187222.75 2457599.75 2545283.25 2710040.75 1893153.625 2217932.5 2371363.25 2726859.25 2538981.75 2386549 2664142 2088396 [FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid 811510 845384 784230 855141 728105 966293 870983 933945 867067 726506 907014 869823 686505 949306 822113 849505 693036 784217 815188.125 782257.3125 852138.6875 949388.1875 804329.375 827998.625 813109.375 970655.4375 1012051.5 836436.4375 593777.375 790513.6875 751437.1875 844839 871579.9375 758440.4375 862734.8125 781228.8125 Ala-Leu-Thr-Ala 2215574 2035963 2059381 2302608 1842668 1835858 1828174 2104301 2119082 1891644 2054167 2173791 1390321 1799915 2110441 2653337 2033338 2071191 1845696.75 1970751 1976026.875 2051613.25 1827648.25 2291401.75 1982938.25 2379689.25 2131541 2126670.25 1548863 1918329.625 2119548.5 2194311.5 1995817.75 2119094.25 2108344.75 1708220.875 N6,N6,N6-Trimethyl-L-lysine 4526896 4846404 4632304 4371394 4678796 4563873 4898609 4698533 4451053 4426751 5172902 4591741 3575271 4825782 4741973 5550657 4778061 4731122 5882699.5 4761801 5039137 5464732.5 4082295.5 4960481 4400048.5 5229229.5 5644462.5 5459555.5 3871101.5 4335797 4680590.5 5433922 4196221.5 5095149 4704995.5 4101279.25 PI(40:6) 128215 141632 86197 107167 87915 94943 112908 101763 93827 71160 99250 145745 87737 128842 146159 110610 98372 86290 99614.96094 102647.0859 87594.83594 114347.1094 106580.8047 98755.69531 90266.875 120031.5156 118662.9844 103170.7031 73525.96875 100319.1406 86425.60938 107864.8516 118660.3984 94844.35938 98282.64063 76736.23438 PE(38:6) 3798850 4090563 3799518 3654312 3407579 3194485 3565977 3400113 3487117 4055929 3409125 3653392 3154567 3420922 3841011 3853052 3023139 3656514 3440639.75 3289178.25 3347154.75 3411536 3590018 3110391.25 3310885.75 3729985.75 3658153 3641543.75 3101565 3424272.25 3997273 3821063.25 3667466.75 3383000 3568654.25 3266261.5 N-(L-Arginino)succinate 566763 585435 525633 677793 560347 518922 539954 613583 581140 512397 622893 595155 464134 534380 636709 653200 502336 530419 503989.3438 524156.1563 474044.9688 499766.7813 426464.4063 539367.4375 474801.6563 550142.4375 531995 512608.4688 369234.6875 481516.6563 519693.4375 557982.125 568823.875 546326 591611.375 436550.25 PE(38:1) 3484091 1826451 3180818 1562758 3190224 3095277 3433051 3058750 3017688 2759314 3424111 2898795 3302905 3361103 3760926 3717718 2637908 3128124 3229045 3221582.5 2979328 3096013 2858583.25 3507799.25 3145326.5 3282552.25 3380388.5 3471767 2546077.25 3406017.25 3127608.75 3548420 3253358 2941316.75 3231828.5 2813776.5 Apiole 322483 309429 336066 345385 349480 313389 295952 319072 302028 306246 309585 375796 344982 309830 293828 293250 312836 318939 299751 280544.6563 293634.125 342928.1875 334241.5313 312364.7188 297438.4063 350284.9063 314541.375 407622.9688 375633.125 382802.9688 363753.0938 400903.625 288272.5313 291351.875 299696.3438 337790.875 Orotidine 799732 842795 745674 885472 787838 745186 782588 792973 864440 704709 916054 814647 620465 706740 861206 847775 811908 756422 743849.875 757195.125 802072.25 811721.75 704762.375 746952.625 763986.6875 856002.875 828875 823974.375 541660.1875 706810.875 800651.8125 812739.75 808959.4375 777475.75 862610.5 617136 PC(36:1) 20879592 21253144 20788362 20650976 21826490 20722164 22466480 19790390 21368646 17090474 19519594 19930698 18723386 21278692 22423642 21670242 19964662 19736556 20913838 20741778 21254350 20402726 19433688 20269528 21362452 21234710 21765314 22725480 15665756 23338366 18766692 21239980 20301942 18299108 20505410 17099176 N2-(D-1-Carboxyethyl)-L-lysine 107637 124584 126472 142742 106954 134677 127712 137021 116353 120825 141869 130894 91942 107939 124339 137783 106441 109039 109869.25 121129.1641 121917.3281 106503.0938 117405.7578 126961.3438 113966.4531 119364.7734 129824.3359 143190.5156 100597.0156 108518.2031 121467.2422 126833.5625 112861.875 121464.1719 130651.3984 142373.5 5,6-Dihydrothymine 1543787 1794757 1799201 1792128 1771104 1877819 1957719 1822072 1936994 1478111 2043407 1917203 1224559 1781181 1837063 1595757 1440480 1769357 1649965.5 1726492.375 1778842.75 1664735.375 1585887.125 1808561.875 1613189.875 1901353.75 2042291.25 1768603.5 1366524.5 1678862.25 1660642.75 1734784.25 1817988.125 1849887.875 1906696.625 1711955.625 NAD+ 12207859 12005392 11650039 12712509 11480148 11320580 11643452 11298978 12115838 10520543 12878731 12067764 11449234 11758084 13567756 14153248 12726986 12216355 12501057 12216132 12239610 12610289 11509359 13355736 12694583 13071997 13422692 14108735 10935906 11580132 12758244 13290351 12437973 11648994 12277249 10532107 (R,R)-Tartaric acid 389183.25 412634.25 413796.8438 357883.0313 403529.3438 385171.5 377077.25 367124.8125 381079.0313 393080.6563 425488.5313 428320.6875 363120.9375 365598.0625 469809.0313 411122.0625 352368.8438 373373.0313 421045.9063 392531.6563 408407.25 360770.0938 410651.5313 413664.75 427317.8125 451350.5313 397018.4063 434662.0938 367214.875 333243.625 433951.875 407998.125 421116.875 417659.2188 403980.9688 437020.25 PS(38:6) 824793.1875 769077.75 677494.5 680050.625 676386.125 654096.5625 685719.8125 709295.5 701832 573122.0625 690571.75 702428.875 561585.625 792697.875 698342.3125 752257.1875 719776.5625 718247.6875 710486.8125 664484.375 596976.8125 703010.5 573781.75 588322.0625 630925.0625 721985.8125 620475.125 674388.875 603720.875 725272.125 656309.875 672882.1875 678084.0625 722136.625 699988 528821.0625 Lys-Thr-Ser 281076.5 286342.25 256761.9219 276389.4688 272678.8438 251623.3281 235500.9531 240771.75 334518.1875 205168.0156 261367.1875 237809.6875 209622.875 257564.1094 264958.2813 310511.9063 227753.8281 267854.1563 252783.2969 274291.7813 305260.3438 310015.375 203304.1094 224084.3594 266477.0938 284727.4063 272970.5625 297678.9375 234848.7813 222608.2344 257764.1094 263461.5938 249073.9219 217928.4688 251604.1719 164536.9688 Gln-Leu-Lys-Tyr 574410.1875 556710.625 564076.5 567954.3125 550372.3125 528242.375 547428.1875 522459.0625 543424.6875 509707.2188 551250 556230.1875 539095.625 514925.4375 570159.1875 509280.5313 515641.25 543210.0625 527188.8125 574688.375 538902 435928.3125 494251.6563 576246.75 528400.3125 561267.625 554781.75 560308.1875 478410.375 507339.8125 557980 519442.8438 512445.5 492508.375 549228.4375 558608.5625 PC(36:4) 22634730 23211508 22180036 22261390 22388462 22157822 22989186 21958012 24393538 19160878 21758540 21813280 20769236 23309618 22796840 21946830 20998676 20918666 20403592 21895674 21947290 22107572 22216254 21798172 22354892 23441300 23633644 25523026 18361794 22749596 21222478 22652424 22586522 21757698 21660608 18775720 PS(40:5) 10427668 9213391 8564298 8634882 8303945.5 8039453.5 8562047 8201867.5 8244190 7069105.5 8535938 8562814 7001805.5 8153341.5 9213725 9840827 8221534.5 8509698 8795500 7613395.5 7634257.5 8587305 7709452.5 7727188 8233692.5 9069675 8691563 8160358 6968735.5 9130005 8762011 8682163 7836102 8865128 8293574.5 6275224.5 Phthalate 987390.9375 1100675 977728.4375 1033696.688 923957.9375 1099807.25 988991.4375 1104261.25 959393.9375 965234.375 1013756.063 1057482.125 901366 991241.25 916873.1875 1053834.25 928054.9375 972759.75 938709.6875 941436.625 897781.375 882678.9375 941328.4375 983392.6875 960534.1875 1032640.5 1034530.813 975312.375 964938.75 968634.875 969355.0625 1049159.875 957773.4375 916575.5625 902888.5625 1009162 PS(34:2) 144835.125 149324.8281 150594.7031 127823.6172 129397.9766 145322.2344 161671.1875 130316.5703 175580.875 144953.5938 186528.7969 162118.625 111531.9922 136206.7188 164443.9063 202798 127392.0625 131884.6719 175432.5625 170835.0313 131841.9688 147692.1875 140486.6719 158631.375 120994.3828 173804.875 169019.5938 162528.5156 120592.7031 137705.7188 144193.1094 154468 175914.5938 161041.0469 183898.2344 124651.7188 D-Glucosamine 202759.5469 199893.5 182733.4688 222409.2031 217508.0469 182045.5469 204343.2031 184764.1563 197947.1563 170183.7969 261229.9375 231676.625 148364.25 157105.4844 159252.7344 191109.25 189225.4063 196086.7031 209378.0781 194249.1406 204243.1719 189289.8906 158967.1563 222591.6094 194100.2969 204772.3906 224028 217697.8594 173203.4063 169249.7813 202671.7188 215606.5 234324.1406 193731.8281 181731.2969 182974.3438 N-(eicosanoyl)-sphinganine-1-phospho-(1'-myo-inositol) 130858.3438 118838.8984 138580.875 138656.5156 147097.7656 151408.9844 141072.3438 136983.5 159250.6406 129949.6563 176050.8281 136386.5313 102701.0938 125467.3594 167420.9688 159475.4063 119009.4063 135387.125 120196.6484 139969.2031 146745.6094 132645.25 126538.6953 146245.8594 153259.7656 157311.5 152780.5938 135646.6094 130887.9219 131669.0313 151998.7031 130800.8047 175016.125 131144.1406 158665.9375 147130.2656 L-Methionine S-oxide 148871.7031 247568.4219 156396.5156 185697 94490.36719 118875.1328 118860.8672 120381.7266 104908.4063 185414.6406 266655.4375 252191.125 172803.5625 135741.3594 179594.8906 210635.9063 133968.8125 113376.0859 114173.1641 133432.0469 165612.8281 107566.5625 166749.375 149902.3906 140450.1406 165456.5469 152993.4844 180986.3438 125624.9688 153925.875 139860.1406 112188.6172 94212.71094 197276.1563 109626 210984.2188 Sucrose 45340.88281 40371.91406 43374.78125 42531.33984 77603.08594 86668.35156 78370.64844 72087.51563 37411.53906 41371.96875 42368.08984 61243.36719 39105.84375 42252.02734 41320.53516 38080.35547 34896.47266 46214.17188 37259.94922 40451.5 39348.48438 36932.38281 40222.98047 34709.01172 41938.75391 39376.85938 42902.48047 40047.68359 40071.72266 56677.41406 50931.34375 57529.08984 36757.00781 42030.58594 36471.31641 44539.97266 D-Ribose 5-phosphate 989422 937068.5625 940876.3125 950240.625 1069226.875 786866.4375 901626.3125 899961.125 1135107.875 823663.3125 939279.9375 786356.75 978032.25 762858 895508 902843.5625 862234.625 887445.5 913475.125 880936.75 754847.8125 897354.9375 712548.8125 774611.5 880004.1875 838293.4375 886845.9375 830883.125 770980.3125 821279.375 1026431.25 1038170.563 1063710 803775.5625 1013295.313 615441.4375 PS(40:4) 3572791.5 3320267.25 3216291.5 2998925.75 3012521 2910273 2899648.75 3031485 2856022.25 2418095.25 2803007.75 3027467.75 2553360 3014092.25 3238299.75 3600684.25 2879172.75 3113519.5 3009977.75 2691273.5 2862471.75 2827425.25 2842835.75 2845151.5 3144812 3222571.5 3226588.25 2864216.5 2420131 3298706.25 2828264.25 3063053.5 2884059.25 3365929.75 2989650.5 2182624.75 PS(36:1) 5606667 4982932 4347271 4797692 4536569.5 4541708.5 4485636.5 4403423.5 4441294 3691117 4771756.5 5049315.5 3895386.75 4740172.5 5661698.5 5873218.5 4906536.5 5138632 5043437 4655331.5 4223479 4718583 4182123.25 4847581 4694153 5085424 5047801.5 4868529 4085523 5171373.5 5303946.5 5398197 4256067 4857440.5 4460014.5 4119346.75 PS(42:7) 146179.4219 214958.7188 134685.4844 151086.9844 173520.4531 142951.7344 158858.7031 146161.2969 131844.9688 155526.1563 155592.6875 166762.6875 146630.3906 140925.3438 139995.5 163033.75 184991.6406 168209.4844 154769.75 156666.7031 140160.2969 130407.4297 143417.9688 139703.75 142709.0469 146070.8281 152459.5938 166348.5 106993.25 125278.1016 147655.5469 132503.9531 131713.8438 177653.625 139986.6875 116798.3281 Asp-Leu-Lys-Asp 141948.9688 112848.2891 102922.4688 119983.0625 106466.5469 112656.7656 94905.28125 135365.0625 120022.4531 100299.1016 113764.9922 142553.9063 95358.99219 108935.5703 128987.6406 168126.875 98280.28906 121646 91016 80602.79688 103196.7266 104916.1016 93978.125 123771.3125 127573.2578 117563.3203 126528.2813 95704.47656 115647.7266 144583.8438 119370.0938 160517.3906 117589.0469 101454.3984 120605.9766 114748.5391 PI(36:4) 404208.1563 561904.75 433831.75 390663.25 383040.7813 354826.2188 394256.0313 377368.8125 387750.5313 360624.0938 404985.5625 416579.75 362966.5625 449398.6563 407900.3438 521331.0625 322483.8125 451023.4688 382520.7813 395856 351586.4688 395224.5313 368466.0625 425544.75 392326.875 449887.7813 404988.5625 444609.2813 391761.75 356793.6563 399516.7188 376039.2188 409990.2188 374335.5313 403825.875 308954.8125 PC(40:7) 978399.6875 974392.9375 1071955.125 1071439.25 890501.25 1082135.5 986744.25 756839.5 994221.375 844781.1875 1017799.688 954597.9375 884382.3125 1003218.688 1155149.375 758664.0625 997789.3125 917057.0625 849203.4375 853877.125 1085739.375 823789.1875 994162.0625 903903.0625 965298.3125 928551.25 1283828.75 1008501.125 901056.0625 965592.1875 920938.25 1052263.75 1134385.375 914882.4375 1018867 912510.0625 D-Glycerate 61811.85547 70635.53125 62961.80469 63669.90625 58336.80859 71414.78125 68273.10156 74014.71094 64641.17969 66615.51563 75556.20313 72620.36719 64260.91797 71635.00781 102367.8516 77618.64844 59360.55469 58662.95703 59403.74219 54995.79297 71315.32031 63262.92188 69532.36719 69549.55469 69449.46875 79424.22656 78383.55469 73768.46875 50112.97656 66618.80469 71868.10156 72425.64844 56628.42969 58142.42188 71596.78906 58286.91406 PS(34:1) 1066287.25 1084797.75 926572 907008.3125 1024531.688 981634.4375 960710.3125 971547.5 919923.3125 816734.25 1036523.25 1071775.75 853473.375 1061318.375 1101511.375 1202382.125 1122560.375 1122272.875 1094635.25 1039882.688 874147.1875 910756.5 861121.1875 992548.3125 931602.25 983003.4375 1043629.25 1045700.313 894073.1875 1219610.625 1051663.5 1087959.75 931555.875 1125296.75 911264.0625 885210.875 PS(36:4) 473738.6875 497322.4063 410476.0938 416804.6875 381942.5 385203.75 426170.6563 384255.875 392772.125 335878.5313 450658.5938 424387.6563 350778.7813 415809.5625 450112.75 432578.6875 435344.9063 390601.4063 436709.7813 374633.2813 379082.0625 390074.9375 357551.2813 349002.6875 405750.4063 418783.875 415097.6563 385193.5938 402517.5625 352438.9688 443952.0313 490215.1875 444555.7813 376257.125 427791.75 323602.3125 IMP 5860759.5 5718001 5707259 5186951.5 5446180.5 5093876.5 5317148 5029715 5775770 4544640.5 5597366 5333279 5703215.5 5821359 6476414.5 6666901 5780393.5 5972676 6264196.5 5518067.5 6079140 6038730 5303018.5 5194965 6270285.5 6264984.5 6299066 6206020.5 5889232 5547301 6509347 5750059 5538078.5 5001628 5226429.5 3709315.25 LysoPC(O-16:1) 1027989 942459.875 901743.5 991247.5 922449.375 856409.6875 886658.125 823060.0625 816831.875 828857.375 923278 1017557.125 652388.25 903726.625 926841 1077309.375 818400 785249.3125 830776.8125 784894.1875 897153.125 853778.375 834372.9375 965650.25 891432.5625 1073226.375 865141.3125 1108969.75 722758.5 740729.875 848982.5625 771245.375 882745.5625 1080661.25 902925 770932.1875 N(pi)-Methyl-L-histidine 326530.4688 304087.9688 298842.6875 320200.5 258943.2344 370462.4688 323769.1875 298658.3125 329589.9688 261706.5625 390544.75 334662.5625 261494.1094 344503.125 356239.6875 432833.3438 269485 320487.4063 318407.9688 345993.4063 342507.625 281173.0938 307026.4375 347255.8438 345992.9375 385453.8438 346102.5313 340195.0938 247553.8438 266520.4063 324212.7813 345035.4375 247061.8281 316705.2813 413869.0313 272770.7188 6,7-Dimethyl-8-(1-D-ribityl)lumazine 309833.0313 275143.375 284386.2188 283994.75 268990.3125 262347.375 320536.3125 289684.3125 310859.7813 267356.625 320482.5938 364704.6563 349182.0625 340630.4063 574265.6875 502389.5313 322219.4375 344056.4688 349550.1563 370924.4375 387017 376787.7188 318051.8438 372479.4688 396057 424710.0938 431446.375 362863.25 237964.2969 389365.9688 441841.6875 379718 316254.8438 282645.9688 344128.5938 286491.3438 PS(36:2) 3127778.5 3035983 2609113.75 2628984.75 2526169.75 2450462.25 2744462.75 2488329 2629314.25 2158399.75 2768236.25 2945687.5 2287726 2601195.75 3289704.75 3212541.25 2854023.5 2911474.5 2921611.5 2730844.75 2376253.25 2678969 2348957 2671958.75 2688565.25 2712129 2880371.75 2933475.25 2485773.5 2909951.25 2877106 2872657.75 2525721.25 3023710 2684976 2547789.75 PI(38:5) 357389.25 325060.9063 254635.3125 286955.9688 212718.1875 246678.5 316551.5 265258.9688 246673.6875 230677.7031 241765.1875 275070.5313 192737.7188 263109.3125 260839.9688 304080.9375 211575.2813 230217.9375 297761.5313 288930.25 238700.1875 262129.7031 254255.5781 221655.5938 272145.4688 261892.6094 288883.9063 265437.75 232958.3594 266014.0313 274987.9688 250979.0156 260535.2031 261052.2188 312550.8125 200771.0313 CMP-2-aminoethylphosphonate 831619.875 870855.25 777251.125 848222.5 854176.8125 742617.125 787462.25 740813 774056.1875 698472.875 772171.875 808715.0625 684157.5625 731626.8125 821232.375 886765.625 795803.9375 823365.75 763418.125 748894.875 747927.9375 774479.8125 683238.9375 790419.0625 760772.25 864928.0625 845930.125 867388.75 674189.125 721322.9375 823115.9375 828901.1875 781058.9375 749116.4375 834023.8125 626192.75 LysoPE(20:0) 841100.5625 1124252 879870.875 1109364.625 678978.8125 442173.0313 521178.25 619279.25 506773.2188 765720.625 581478.375 935874.9375 580013.4375 914578.625 1273254.125 1234960.75 727205.8125 687926.8125 608499.875 601372.125 980322.3125 569599.75 1150707.25 998246.3125 913284.75 1167799.625 1031923.063 1012795 508222.1875 589954.9375 597766.5 559846.875 557501.1875 1074086.875 564272.875 712784.9375 Nicotinamide D-ribonucleotide 614904.625 667504.9375 614088.875 663543.8125 606324.625 592594.25 637085.1875 641392.0625 681817.625 539588.6875 641870.0625 634321.875 486311.7813 523183.875 554584.3125 569060.8125 633079 608690 590896.6875 571075.25 588116.125 576911.5625 414865.0938 507055.25 571979.6875 645352.8125 555658.4375 555616.8125 550153.1875 553782.1875 547511.3125 590007.1875 630913.875 559128.9375 638094 420850.625 D-Mannonate 5445819.5 6802546.5 5551652 5725583 4739482.5 5629710.5 5378672 5198308 5714770.5 6328479.5 6531150 6215113.5 3293992 4685386.5 5853059 6481105.5 5628127 4870736.5 5132700 4787368.5 5084196 5174957.5 4970639.5 5195099 4422753.5 6246223 6560861.5 5560183.5 5138325 4861761.5 5344405.5 5382239 5230629 6153457.5 6025337 5066478 PC(32:1) 4991646.5 5650925 4968953 4846017 5204243.5 4756560.5 4786979.5 4683907 4987022.5 4521520.5 5055590 4759039.5 5410569.5 5725894 5918267.5 5773244.5 5617962 5774640 5743276.5 6087332.5 5558846 4835713.5 5135533.5 5077412 5604623 5658399 5994630.5 5777401.5 4742591.5 5709218 5921324 5909291 4662891.5 4696108.5 5247598.5 4452627.5 Aloesin 116626.8984 122767.1484 94815.75 132345.375 95246.47656 149387.3906 110366.4063 132274.25 105067.6484 92211.97656 150499.5156 177424.0625 77067.69531 94165.91406 135211.875 149638.125 57446.03125 73012.625 115354.8594 143777.8125 72683.64063 87147.63281 90408.36719 108059.9375 42407.83984 114335.6016 123363.5781 120939.8359 79075.63281 85939.34375 111964.4766 131645.3438 78810.77344 93090.59375 134913.25 93363.71094 N-(3-oxooctanoyl)-L-homoserine 214592.5625 255963.6563 187510.4844 244674.0313 233289.875 217572.2656 233823.6094 232502.625 252419.4531 211544 205222.1406 234130.3906 235760.8281 227647.8125 215725.8906 247868.0938 220251.9688 203435.8594 212797.3906 253368.9063 222312.4063 188606.2031 230903.6875 193575.5625 280356.8438 216037.5313 242000.625 197776.3594 227537.8125 212557.1719 236770.2969 243888.1406 260952.6406 243930.0781 218962.5313 218197.2656 LysoPE(18:1) 901475.4375 1019503.063 1045083.625 1000594.625 980637.0625 1003381.938 720651.75 880540.3125 946661.375 938407.25 943938.4375 1103331.25 655946 893259.875 1221615.375 1218801.125 794402.625 936896.0625 882204.6875 710438.5 937374.875 878367 873501.8125 1152623.125 1055624 860912.4375 1212001.375 1191943 742886.75 770327.75 922093.75 943275.375 918984.75 969763.3125 872341.4375 787253.0625 D-Glucose 10897135 12844908 12004484 12895423 10325170 11336293 12485668 12151487 12832002 11218593 13659716 11749096 9140422 10539666 12502645 12053868 10566394 11416628 11521742 12815332 11242362 12210541 10425831 11052260 11366466 13142389 13227810 12847660 7680313 10877037 12488507 13206664 11099091 12246406 11996905 9849483 PC(38:6) 12966822 12287462 12630488 11876743 12871314 11359279 12488460 11966186 12094528 10166197 11525406 11397494 11089418 12258579 11843944 11688080 11293461 11772615 10994970 10657486 11798732 11099841 11685350 11644977 12658750 12467554 12796570 14287023 10332573 13240959 11416581 12426657 12318056 12219575 12359314 9953712 [LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocholine 664781 926514.875 861144.5625 762252.6875 886086.9375 721504.8125 723559.75 890354.8125 836541.5 663534.4375 789751.9375 759578 671699.625 820256.75 872479.4375 842516.0625 821114 906944.1875 929992.0625 828842.125 839274.5 873941.25 736888.5 770780.625 1002278.875 1062474.875 771631.125 801556.0625 703625.5 756861.4375 763617.875 1004518.75 967626.8125 830645.125 1013140.688 610703.75 Hippurate 456226.1875 369687.4375 306920.9063 357641.1563 251890.3125 356593.875 234407.4063 325721.375 336243.0938 441463.875 331692.2188 420436.625 339479.5938 455624.125 376734.4688 376681.25 312780.3125 317799.2188 328469.6563 418310.4063 416106.8438 358374.6563 275407.375 423234.2813 371998.1875 398519.1563 409474.0313 491989.9063 453449.3125 370876 384622.5938 328349.4063 340481.2188 450741.8438 330178.0938 314761.375 sn-glycero-3-Phosphocholine 9596614 10525798 8245443 8699275 8472952 8183248 8895429 8596514 9543720 8364835 9205313 11447904 5634807 8222841 7458744 9309816 8438329 9116257 8291659.5 7499657.5 6660046 6342649.5 7835346.5 7402510 7220555 8611042 8240938 8014684 6147658 7053033 8317443.5 8950165 8432479 8396111 10198924 7939434.5 Creatine 262686784 280204544 262923088 252284336 281471968 272825792 279725440 255335152 280854784 250914176 343754080 300550272 211046944 273973024 288949888 315432800 321337504 284596096 288143136 266942960 329954912 245243056 242085872 256486560 325968448 321466368 298159936 276902016 241951472 272356256 287389920 311815232 282855648 285956992 317729664 295869568 Adenine 460272.5313 435164.7188 436615.5625 592830.125 435567.8125 576366.75 552107.25 629080.875 539865.875 357111.9375 656351.5625 551842.5625 428697.1563 395653 534915.5625 508766.875 410459 457916.5 606596.4375 452523.5313 385230.7813 544423.125 454746.5625 474763.5938 540187.875 545999.875 497094.9375 535421 420630.8438 392925.1563 526224.6875 477605.0625 474204.9063 511000.3438 560096.4375 426616.4063 L-Homocitrulline 199643.5625 215810.0313 209404.3125 208644.7813 194284.8594 273069.0313 183971.1875 147088.2969 233940.3906 153967.4063 219572.4688 175058.3281 161796.9531 213622.4063 236822.6094 204687.5938 200244 213598.3438 189125.375 163984.0781 186861.5938 155224.0938 167923.3906 217304.1563 230375.1719 184779.7656 223611.9531 191041.9375 152901.2031 182366.2969 172385.0313 239598.3281 193365.7031 215522.3281 212198.7813 142868.6094 Asn-Glu-Ile-Pro 153198.7656 146638.1719 129226.8047 148212.3438 125199.5 103778.6172 105682.5547 125731.1953 151464.8906 117373.0703 192555.3594 148124.9688 88287.67188 106319.9063 122858.25 151789.8438 147347.9531 122891.5859 134120.3281 132058 107982.8516 153760.8906 106587.4844 132414.7344 154572.4688 107995.6719 146126.0469 162888.75 104812.875 171036.1406 139335.4375 196696.3125 170637.6719 115471.375 131214.875 126367.1016 Glutathione disulfide 8143354.5 9110660 10746239 12410140 13200809 16512846 15901809 15332429 14672421 15964260 18326290 18718646 6327011.5 7394670 10649986 12016173 8243371 8685930 10944188 12741391 9221360 8919026 11725209 13790990 10306197 12409719 13796148 13329600 13961962 8211527.5 11375218 12224653 12572948 15867646 14389918 21362952 Pro-Arg-His 126606.625 122348.2969 142675.7656 143557.4531 116023.3594 160556.3125 137567.5 137661.0781 138399.4531 124695.6328 129689.0547 188955.9844 105933.6406 116611.1406 129784.5234 147076.4688 100491.3047 129190.8672 129948.4766 151703.1406 111733.4766 120367.5469 146704.4688 132776.4531 128950.1641 145851.7813 155637.7969 153915.9844 146103.9844 127896.3438 145345.7813 170061.5781 141994.5156 140231.5 140476.6094 126944.4531 [SP] Sphinganine-1-phosphate 440843.5 500142.1563 395914.5 378900.375 397270 386212.125 392607.4688 371760.4375 389057.25 349664.5625 388749.375 400929.7188 296134.8125 330578.1875 374349.0625 398394.375 361216.9688 359625.2813 414241.625 349936.25 349953.7188 383319.8438 285738.0313 291685.8125 369753.2813 370850.1875 383530.7813 376683.25 327220.1563 384626.3125 440152.0938 360972.8438 445150.1563 365027.7813 379680 319904.1875 N-Hydroxy-L-tyrosine 583763.5 662668.375 720326.25 860208.75 782294.25 666568.0625 588639.6875 730048.1875 674976.6875 552414.75 701270.9375 687240.625 595321.875 500671.6563 650057.25 581399.9375 588521.0625 508897.75 447546.4688 553273 516722.625 505817.8125 479434.5625 584147 642217.3125 768434.125 629904.5625 349779.6875 811169.5 451322.3125 752878.1875 587047.5 639730 564159.9375 476451.4688 453126.7188 PA(38:6) 198059.6719 231175.8438 210066.3906 186427.3125 164943.6094 160719.75 227384.1094 192952.4063 181117.5938 151256.0156 195752.75 193473.1094 167265.0938 174495.7656 197854.1719 218489.6406 179235.3125 201695.8125 200118.2656 201047.0938 161165.5781 159959.1719 175129.6563 183959.4219 173869.8438 222556.8906 193698.5625 189756.9063 139717.9844 159220.875 176067.9375 199861 218419.3594 184774.1094 191402.6406 150642.375 Cys-Leu-Cys-Tyr 144856.3281 164885.0625 177328.4375 189308.2188 170338.2344 162637.0469 155731.9063 165763.6875 160699.0781 156731.6875 202650.4531 169486.3281 177587.5156 152184.2344 172878.9844 162628.3438 160976.1563 154980.1094 155134.4375 148608.2813 156085.5938 144377.5 165662.4531 166790.9375 156666.3438 172604.6094 215138.5781 182535.0469 164412.7031 173573.0469 184936.5313 148297.3125 144133.2031 145674.1719 186948.6563 188063.1875 Ala-Asp-Ser 169487.2344 161048.0781 170540.1875 153440.125 152168.5313 180387.1094 162604.2969 189238.9063 191220.1563 138762.9531 204650.5781 148969.0781 149004.1719 139483.875 172244.8125 182107.2188 152133.8125 200365.8906 179739.3906 166929.2813 149420.8438 150587.8906 141266.8438 183966.7813 175900.7344 183110.3906 193107.2344 166951.0781 102189.5313 163548.1875 171054.6875 178908.3281 179353.5625 155004.4219 210083.3438 122014.625 4-Pyridoxate 100852.5156 121531.0781 137023 203435.3438 122650.1016 122691.4922 162328.1875 165988.75 128621.6719 161739.6875 112736.6484 133820.1406 135465.9063 121546.4531 151451.0156 130497.3828 125421.2188 132024.0313 117440.1016 108156.8516 126714.75 177363.1875 111998.6328 35055.33203 117500.5859 160090.2969 130396.9531 111275.3047 96146.52344 118915.6953 149642.1406 135457.7344 132538.7813 125439.0938 127661.2969 94557.85938 FA (18:1) 241901.5938 229151.8594 267737.4375 352182.4063 237666.0781 276088.875 288493.4063 253915.1563 247187.2969 318366.7188 288004.7813 310702.5 259935.7031 211011.5 230306.4375 299458.3125 273818.5 238514.0625 267409 279048.375 227576.0469 308992.5313 266173.125 295091.5 264689.6875 264397.125 290624.2188 446532.4063 278384.875 354498.1563 360964.125 284866.1563 297394 225969.5 232336.625 274536.75 Ethyl 3-oxobutanoate 388522.7813 496964.0938 445926.0313 452628.4063 432161.2188 429484.5313 453775.5 379481.8125 411914.8438 450008.2188 394211.5625 403530.8438 381869.9688 414252.3125 456248.5 507543.9688 511907.2188 426093.7188 401838.9375 449886.7188 466739.875 453793.7813 417107.6875 463078.5 545037.1875 546839.5625 494406.8438 491889.7188 725850.3125 424696.875 524552.1875 554007.5625 385575.7188 429124.8438 433101.5 422536.8438 Choline 8711636 9542556 7604462 8946928 7331687 7288947.5 7718326.5 7018933 8117601 8604092 10414815 8889720 4747788 6291919.5 7510270 7342233.5 6269846.5 5825182 6232334.5 6391491 8237733 6788835.5 6662814.5 7549506.5 8573085 8616759 8369722.5 8338471.5 5423601.5 6355832.5 7236506.5 6425641.5 8224001.5 8664954 9278547 9828393 Asn-Pro 737163.4375 823504.8125 826968.5 787539.1875 742580.625 680045.4375 798276.4375 657142.9375 814030.875 732761.125 919277.4375 856800.5 601038.125 772711.5 820401.4375 880868 708552.3125 769523.625 731160.75 831167.875 761232.25 766828.75 643587.4375 705943.9375 801085.1875 829735.25 784607.8125 921575.4375 741051.5 749081.125 880234.3125 892872.6875 800431.1875 736222.5 800133.625 538457.0625 sn-Glycerol 3-phosphate 6364201.5 7005971 6009161.5 7664190.5 4988905.5 4911767 5146630 5212177 6443800.5 5895168.5 6014752 7549901 2577010.5 3157862 4031157.5 4443140.5 2926616.75 2850915.25 2935701.25 3030684.5 3349789.75 3339367 3116829.25 3572549.25 3497648 4224995 3676536 4117547.25 3192786 2864695 3473872.25 3250283 5226975.5 6351104.5 5771408 4900948 L-Serine 10925716 11381297 9580220 11574999 9648325 9144346 8799222 8932372 10241988 9696694 10534854 12084198 8478094 9129117 10848052 11862779 9179333 9567319 9091395 9282987 10645022 9179804 10080148 9635089 11086725 12338376 11042618 11415936 10234111 9296905 9701746 10405502 10419524 12237479 9683881 11001546 Cys-Gly 87635.41406 73635.0625 74913.25781 80816.35156 67612.3125 63249.71875 74170.90625 61978.61328 51764.30859 58082.38281 56851.11719 80465.82813 52439.99219 63974.14844 87218.29688 73251.40625 58093.88281 73260.70313 44860.41406 64867.29688 57829.59766 84872.07031 54193.93359 49148.27734 68541.84375 71472.04688 66113.65625 80639.77344 104727.5703 65765.39844 89238.66406 64661.26563 69250.79688 58843.30469 52041.53516 43425.4375 UDP 383271.0625 469966.5625 396751.1875 466625.625 399177.8438 372545.75 367094.7188 371590.0625 428159.25 350526.0938 364485.9375 392800.5625 267228.4063 283058.5625 389934.125 397187.8438 319274.4063 312213.25 313516.9375 335215.6875 341173.0313 352139.25 279989.6563 307061.875 375486 372048.6563 361855.1875 383421.8125 348586.2188 324494.7188 335006.875 377575.2188 394287.875 373098.9063 377249.375 261452.1094 Erythronicacid 1070649.25 1256701.5 1166682.75 1295281.375 1013380.188 1089418.375 1182883.875 1152980.625 1180131.75 1001849.375 1225494.125 1314195.75 735758.625 965129 1191102.125 1369295.375 899352.1875 903835.4375 951094.5 936963.875 963218.625 1049477.625 912057.3125 1029159.75 987634.6875 1191930.5 1218281.125 1215475.75 774544.4375 823657.3125 1078083.25 1188382.75 1009717.688 1244995.5 1201752.375 926858.4375 Hypaphorine 12887628 14197208 12125699 14709322 12441158 13401488 13712097 13461877 13829976 11728394 14105085 18973714 11647316 13427540 14658358 14386298 13116743 15465729 12431561 12609141 13279914 13662166 11792194 14929875 15338702 15783162 18534600 12960970 12427288 12979919 13427497 14145643 14171603 14748223 14667734 11706977 Phosphocreatine 156322.8594 187661.7031 175893.875 167605.8125 157477.75 145518.1563 139243.1719 145924.2969 144853.7656 148938.4375 160111.2188 153437.2031 113155.1016 106961.6641 159122.4531 198883.7031 134241.0313 120086.5781 116211.0938 132492.0625 120797.8516 114047.9531 126973.25 107692.9219 131416.2344 143953.2656 125023.2578 148312.0781 108177.6094 101072.7031 121192.1719 129748.9453 138873.5 131562.8281 149145.1563 105534.6484 D-myo-Inositol 1,2-cyclic phosphate 474058.9688 462529.1563 388136.1563 518219.0313 549607.125 488533.875 551712.9375 429106.0625 533786.3125 420351.5625 523836.7188 423428.8438 437175 439301.5313 444601.375 403227.125 408889.9688 393110.1563 381733.1875 455285.9688 388255.75 435097.8125 332504.7813 440513.0313 484232.25 392064.2188 465259.9063 527333.375 426302.9688 522146.4063 431041.8438 434120.1563 536668.1875 396499.25 448268.7813 328807.0313 5-Oxoproline 8129868 10187984 8022117.5 9220895 7013223.5 6831294 7074420.5 6677446 7027531.5 8875977 8291410.5 9500801 6529593 7712718 9876760 9107955 7329785 7256970 7640879 7591123.5 8561866 7349000.5 8036208.5 8459733 8699394 10158311 9190890 9973137 8070556.5 7689524 8192756 7468624 6490170 10112836 6912610.5 8014665.5 L-beta-aspartyl-L-serine 98477.03906 125054.6328 98060.67188 114833.1172 90865.33594 95847.69531 94582.32031 113022.0469 110849.7813 86089.13281 116977.2969 102154.2422 95173.90625 94497.40625 99737.25781 109240.5547 106843.3984 95742.60938 117173.75 104447.3594 99159.26563 99177.10156 90787.73438 84867.67188 115358.6094 106282.2578 88472.15625 129436.2266 101577.1016 100378.3125 129873.1172 125707.9688 120309.5703 100404.3672 99477.78125 91671.8125 Vinylacetylglycine 116568.6875 101562.1719 48180.73438 113609.75 109345.1719 99265.86719 90998.30469 114731.3906 110048.0781 136469.8594 104345.7188 126369.2422 55834.23438 75192.17969 111362.4141 145679.75 98495.51563 86391.29688 88219.14844 82804.51563 125457.9688 87110.27344 83101.84375 96156.25 122940.8672 126814.5 110538.2656 101435.6719 133960.2813 91238.91406 64025.98438 83297.40625 76781.48438 63617.70703 118391.3672 130894.7031 Asp-Val-Pro-Ser 263702.4375 219038.25 170878.9688 211061.5313 445801.0313 434859.7188 364919.9375 343128.4375 373971.5 135048.5625 359511.25 378499.3438 470405.6875 461992.0625 470728.0938 411738.5313 369580.7188 440301.1563 437164.3438 387660.5313 352738.2813 351067.5313 235103.5938 294804.6563 381156.2188 366650.2813 461592.1875 249667.3125 288712.4688 489951.375 425258.375 432067.3438 397031.4688 197931.7188 402051.8125 178679.3438 Nicotinate D-ribonucleoside 329716.6563 361482.0938 305535.0938 368064.4063 301030.6875 282726.8125 302928.875 290491.4688 318901.3125 282995.625 344802.2188 348903.4688 155587.6094 225422.375 327167.2813 245286.2188 223708.25 211257.875 253089.5781 226413.3594 243245.0625 245300.9844 259079.7344 283365.9375 268029.2813 298146.4688 325651.875 328174.625 227973.4844 251211.9375 268747.25 241143.0469 306695.875 327482.625 298168.125 258764.4688 2(alpha-D-Mannosyl)-D-glycerate 456011.4375 525046.9375 425844.5938 512530.9688 360711.9063 335903.6875 314795.5 349530.1563 433307.5313 466201.8125 409709.4688 459490.625 235792.3125 345206.0938 435270.4063 446721.9375 376024.4063 304335.9063 290702.5938 364852.5313 394544.8438 320137.2188 372364.0938 407001.875 424055.5625 479908.8438 400568.4063 468098.3438 357326.0313 313726.875 386177.5313 374831.75 397941.625 438769.1563 391653.625 369708.7188 2-Hydroxyadenine 596561.8125 740829.8125 611331.6875 743058.9375 653974.6875 712307.25 597984.3125 707179 520344.875 749526.125 598065.5 831732.4375 374140.0625 612040.6875 613058.5625 709077.75 1315272.5 1349125.625 1204116.625 1214062.625 406308.4375 506078.6875 462777.25 491746.5938 542492.6875 563812.9375 521904.8125 590575.25 774921.375 430904.5 545203.4375 548799.5625 569728.625 715691 798003.5 630641.4375 Morphinone 178865.2813 205148.3594 176517.8906 170696.5781 80900.99219 81165.77344 145048.2188 77268.3125 173209.0469 128746.9297 200176.375 94055.53906 218542.4531 282168.4688 245862.3438 149118 124932.8125 82221.4375 174416.2813 207805.5156 157167.125 192238.5938 276237.75 250945.3125 270339.5 217393.5781 255340.8906 139902.625 158346.3594 154829.3281 193915.5781 177915.0156 232872.875 85327.42188 215935.2656 Diethanolamine 100323.8828 131352.2344 107491.625 121025.8906 138583.2188 100555.7422 133232.1563 120031.7344 139502.6719 117834.0156 166393.7813 151226.1875 149037.7188 111515.2422 112082.5547 147255.5156 123270.5703 125489.7891 136618.1094 120143.5391 109594.0859 132983.7656 126096.5703 113292.9063 139329.2031 162351.7188 142733.7969 130546.8359 102023.6328 106161.2969 179266.0625 112317.6328 117936.2031 98130.48438 97829.89844 117641.9766 Arg-Phe-Phe-Arg 201491.6094 171611.375 160965.5313 184316.4844 147710.6563 133778.4688 148408.1563 173302.0156 190202.8594 129862.1563 206962.7188 176663 83186.98438 74763.4375 134610.5156 108151.4375 93874.92969 77634.34375 88203.66406 79470.54688 79185.89844 91688.45313 70322.71094 105912.8125 120331.4844 93345.11719 100885.6719 99739.28125 79803.26563 81157.84375 85464.26563 105892.7891 144603.2656 149348.5313 156386.7813 128321.5547 cis-Aconitate 466016.75 637965.6875 485076.25 686503.9375 502598 475864.9375 412106.9063 493181.7813 471977.5 451164.0625 492858.0313 546655.1875 413830.6875 411421.5938 536142.6875 604034.0625 432837.625 460275.8438 496596.3125 422891.0938 479028.5 410289.0938 459810.25 487302.5625 471094.625 533697.875 575669.1875 617886.375 498045.6875 398579.5625 520007.4688 529549.125 480547.0313 600922 515899.8125 408757.8125 Phosphoenolpyruvate 341599.5 398544.3438 348941.4688 395488.0625 307312.0313 295916.0625 305083.125 300222.4688 395245.6875 346069.4688 393838.6875 449750.1563 151093.4688 139740.3125 258779.6875 266729.0938 157812.8594 152195.5625 178212.4375 195351.8594 239759.8594 223535.2031 195623.9688 190585.7344 212464.8125 231455.1563 256481.9375 318173.1875 357652.5938 149690.1563 228797.8594 208627.7188 317317.875 316759.2813 327444.5625 284420.5 [PG (16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) 92977.71094 104987.0469 80277.28906 101437.5469 126793.2031 151862.8906 147060.4531 118965.4766 124353.6016 92545.86719 128753.6328 96936.32813 109598.8516 108698.6484 93127.67188 130731.8125 135763.75 143745.2656 151291.7344 113149.3516 99781.25781 127196.3438 100376 78654.09375 108995.5469 130055.2891 128690.7188 119282.2422 169258.7813 151731.3281 165220.3125 156073.5156 126437.5547 107827.4531 128381.0938 89927.53125 LysoPC(16:0) 9139191 10015142 8476702 10117903 5137191.5 4938357 4916155.5 4537182.5 5599231 7399619.5 6114421.5 9602758 5765393 9077225 12329930 12502069 5641352.5 5535498 6674502 6784440 8292042 5181258 8954539 10434407 7791378 10829654 9367946 11447967 5504621.5 5762149 6078969.5 5983873 5592932.5 9430062 5239465.5 7619994 4-Nitroaniline 159275.3125 165555.2031 138045.3125 128900.1875 303079.625 322096.5313 320589.4063 261209.0625 157820.3594 222993.0938 171355.8906 239262.2656 170274.5781 225899.9531 190019.5781 187090.5156 177527.3906 226551.3594 197760.8281 190404.0469 156867.0469 119547.9141 131636.7969 197684.1094 131427.0781 189499.5 233533.6406 172603.9531 130360.1641 121353.8594 220714.9844 253708.3594 140859.0469 161473.6719 134388.2344 208293.9688 Quinate 1179847 1441157.875 1354782.25 1280230.75 1051314.125 1007206.313 1069659.875 1106679 1326627.125 1199980.875 1570041.75 1546748.125 752184.5 979803.75 1199442.625 1264668.5 925509.4375 1117958.375 1146922 1224026.375 1042126.25 1188189 986252.6875 1089523 1257762 1311995.375 1283268 1317135.5 1044136.625 1129149.25 1441091.25 1364053.125 1012489.875 1308223.5 1255969.875 1025477.25 Lys-Val 474779 481308 480245.3438 551095.0625 450518.875 482616.0938 479368.6875 473546.375 465331.75 483369.125 609291.3125 545783.75 315210.375 432797.5 561625.6875 539379.1875 434887.6563 463324.8125 558283.5 435041.0938 489081.5938 485341.2188 394946.5625 428700.0625 483788.2813 649966.125 537699.1875 487557.4375 408543.5625 505319.2188 483410.4375 523454.4063 511113.6563 516414.25 559634.4375 419041.3438 Indole-3-acetamide 241812.9063 280085.3125 581595.5 826360 528375.6875 787946.375 619266.5625 753381.3125 489739.125 831534.375 699306.1875 986719.875 455170.0938 640598.0625 714486.4375 798136.6875 386495.5 339530.5625 854975.8125 844353.25 214147.3281 204281.8438 793143.125 1046769.688 564686.0625 800380.75 814447.6875 533494.0625 209741.2188 186418.4531 208648.6719 322141.9063 508930.3125 1037548.063 538834.125 2191907 L-gamma-glutamyl-L-isoleucine 197101.7813 246294.25 219328.1094 189750.1094 194708.4219 182133.6406 227540.6563 195132.4219 244616.5625 180748.6563 210393.3125 181942.7813 194082.5781 235094.6406 235809.5156 278040.9375 189466.3594 207238.2344 211814.6406 222877.25 251966.0469 203693.9375 154066.0938 146156.6406 210189.8438 204575.75 279199.1875 216469.4375 175626.8281 289930 262603.5 231639.9844 184257.9063 187480.5156 232786.1875 174486.2188 Camptothecin 295625.5 317802.3438 245818.1094 291799.3125 236259.6563 204683.6875 248061.3594 203535.0625 222243.5781 182374.125 232292.7969 234573.3594 189409.7656 193449.2344 286304.375 288716.8125 205322.7344 235210.8438 210587.1875 210505.3906 248130.6875 262644.7813 163873.3125 172594 245000.3438 291096.7188 192989.25 291843.125 227994.9688 249757.2813 307406.625 343965.8125 205841.4531 277971.7188 226453.9531 133485.9375 L-Proline 70318168 85193640 74521456 89222936 66270396 66644888 67041804 73847344 63023040 75815648 66953344 85916960 53106396 98716864 97839848 112380592 75232472 88693648 70601112 71650040 80124880 65655400 74980816 80602128 82726000 89110328 95392024 99148648 75034976 67892984 74331224 75767232 63607844 85061336 68460240 72308376 N6-Methyl-L-lysine 167633.7188 159369.5469 152445.4219 161855.5781 132064.3594 127736.6563 144758.0313 166908.5156 181985.9531 126797.7031 170504.375 177831.2344 103006.6563 141584.3438 177256.9844 204397.2344 153220.8281 152388.9375 193911.5781 157975.1719 138390.6875 172395.8594 121499.6094 145468.75 149413.0781 185550.1094 185834.3281 181651.4531 136047 163264.0938 183260.3906 190052 142442.9375 148501.0156 160674.0469 147118.3281 3-propylphosphoenolpyruvate 142454.5625 148370.2969 153852.125 165627.7031 119556.3359 193507.1563 124124.8828 125042.3906 131899.125 119785.8125 163473.5781 156095.5781 112172.1641 147525.5 158049.3125 174293.4688 127328.4922 159627.3438 145236.4688 118482.5703 104862.2813 126658.5469 124242.4141 135396.0469 113753.0781 194125.7813 144581.7813 144778.4219 121577.3438 128904.5156 149081.3906 154384.9688 109543.4688 201306.0469 128873.4766 133211.0938 N-Acetyl-D-glucosamine 6-phosphate 279334.8438 262206.0938 250056.7188 256003.6875 217593.9844 173553.9219 196168.4219 190591.5156 216015.5156 197133.3125 229502.75 213708.9219 161672.3906 206377.9688 242121.4531 246572.2969 202005.0156 215029.0469 209539.75 197455.7188 206379.5938 184623.3125 210476.1875 223322.7031 240306.7344 253611.2031 240475.2188 270686.5938 235066.5313 208480.2656 220466.9688 208217.5156 219445.3438 220076.9531 207569.1875 181709.5313 vanillylamine 484642.3438 779360.625 626741.75 798527.8125 652670 499668.2813 557196.75 767934.9375 670760.25 456711.0313 647348.25 669118.9375 516086.75 614334.875 796743.5 803500.6875 606698.5 660091.4375 624358.75 571468.8125 543454.5625 735863.5 458093.75 565180.625 546236.125 697305.9375 820210.5 746925.6875 924800.375 534125.0625 728222.5625 753554.25 595600.9375 606515.4375 605074.25 486753.0313 O-Acetylneuraminic acid 334658.4063 407832.4375 318324.75 398047.2188 385303.1875 331635.4063 346761.4688 258228.5938 327291.625 258712.8594 348473 421157.1563 215892.8594 304443.5 402548.0313 326694.75 268083.75 376247.3438 366730.1875 263802.5 284196.2188 294581.4375 311839.4063 381391 354220.1875 419892.0938 349731.0938 435850 247038.8906 286643.9063 305206.4688 295939.4688 331981.8438 368463.5625 323749.75 282268.4063 Inosine 714307.125 838392.1875 781460.5625 892087.125 599491.1875 598589.8125 617924.5625 652940.625 632462.375 760383.125 657836.125 815450 332172.0625 515925.5313 639790.1875 708736.125 585895.6875 581921.375 408359.9063 484343.4688 533947.8125 426613.1875 565780.4375 598986.5 641641.875 664024.1875 651779.5625 650780.8125 612674.5 410395.9375 547445.6875 533728.6875 601601.125 789721.375 694098 735161.6875 L-Asparagine 19264146 19383934 17614096 19341808 15108403 14572922 15975734 15047595 18864780 18347242 18431894 20660518 12715260 15314667 19652410 20564904 16150088 17587188 16052080 15424645 20099748 13100004 14721230 16171000 18340238 21125528 18876038 20433614 18447052 15682398 17475228 17044414 16961188 18495984 16732530 17508666 2-Hydroxyethanesulfonate 45964.73828 19443.16016 40386.9375 14649.08301 234576.5781 304425.6563 286633.9688 228775.7969 152021.1875 17279.07422 184252.0469 33452.83594 15328.6123 20161.95898 31724.79883 23927.37695 10946.91016 14228.65332 14779.5625 29989.82617 11855.35254 13138.29004 42749.9375 43179.875 86183.82031 153189.6719 178103.7188 7635.339355 76491.27344 10638.39453 87046.65625 D-Fructose 1940864 2407019.25 1851451.125 2317116.25 1533732.75 1579863.625 1633567.875 1588555.625 1616947.5 2162293 1936292.375 2385949 1366182.375 1679860.5 2279997.5 2261797 1654806.125 1565776.625 1528438.875 1492710.125 1995436.375 1559372.875 1910778.5 1972234 1960916.625 2486630 2222848.75 2492634.75 1893129.625 1576256.75 1619692.25 1587242.625 1546327.75 2335079 1659076.875 2011932.125 Pantothenate 677956.25 542501 518059.25 579349.875 467239 345799.1875 340389.5313 358714.6875 471826.125 490125.2813 507148.3438 594827.75 309889.3125 390611.5313 538771.4375 468977.25 368514.4063 414179 391890 391135.6563 521705.5938 381863.8125 403126.375 404294.9688 545814.375 563609.625 475100.7813 527098.0625 604934.5 361470.125 385089.5625 393023.5 462240.4688 574189.25 419808.2188 471594.4688 Norlichexanthone 221490.8594 152279.7969 128844.3047 174182.375 118424.5469 148885.8125 154816.8906 97777.5 166250.6875 188850.6563 166679.4531 222732.5781 87686.55469 122859.6172 190255.0781 240479.9375 155850.0156 158117.3281 139332.6719 182007.375 182966.6563 112519.5781 162021.5156 183010.75 172515.2813 244510.6563 166296.7344 208066.4375 162317.125 104159.5234 143960.1406 158885.5 96169.41406 201395.5 162873.8281 185862.6406 N-Acetyl-L-aspartate 137282.8594 127663.9297 126273.0938 114224.6016 90645.625 103520.0469 104774.6484 104413.6172 122692.6719 114261.2422 113852 121622.2891 77063.19531 95566.84375 125872.5 149481.4063 96472.42969 100486.2969 83147.17188 103816.9844 109042.3594 118156.6016 95102.84375 109928.3125 125767.2734 140195.9688 121921.3438 146381.875 115222.1406 104139.3047 106450.0781 115961.5469 118202.1406 109087.3828 128573.7734 82687.39063 3-Methyleneoxindole 63531.84375 120095.9766 173456.6719 222161.9063 76218.74219 141881.7813 42983.07813 158212.0469 62009.78125 153874.7188 154322.4531 284756.4063 77532.14063 163882.2656 216795.7344 240497.6875 107125.8672 211815.5938 171405.6719 337413.6875 50914.80078 52819.92969 171508.2813 273283.4688 141674.1719 169511.8125 200182.2188 166783.3594 29079.40039 87420.60156 83742.57031 71948.50781 97064.79688 265752.3438 62218.12891 572035.125 PS(36:0) 1842643.125 1585752.5 1539380.625 1619658.625 1559134 1541824.875 1621946.625 1604082.375 1604191.625 1198835.125 1785647.375 1645948.375 1600982.5 1888078.5 2072591.625 2193273.5 2283237.75 2171533 2378630.75 1966694.25 1652466.125 1832943.75 1681074.75 1743441.625 2236567.25 2199217.75 2169541 1947725.5 1570640.125 1973770.25 2223214.25 2395019 1419734.25 1658028.125 1539920.875 1375568.5 2-Amino-2-deoxy-D-gluconate 326951.25 347570.0313 296478.4688 403469.125 315450 281499.1563 289101.125 302372.9063 369646.6875 276284.8125 419796.9375 319224.25 231727.1875 238028.6563 363064.8438 399947.375 287246.5938 277371.125 295277.875 361410.7188 321168.9063 338812.25 219513.4844 295500.75 378560.4688 342316.5313 363586.4063 372669.9688 318378.0938 324308.4688 369908.75 376596.0938 320328.9688 289027.5 307531.25 267328.25 Hypoxanthine 86031048 105435272 92193888 96990776 98920624 93832720 97137048 93774144 94349648 89716248 93263560 116566200 47254792 81965224 97007056 91088480 81308120 92557792 66781980 73702480 86536048 69746936 81389392 80566016 97294560 102742008 103075064 91762560 115323816 73559600 115080456 98769120 85139424 112926000 107918656 89911608 [PE(16:0/18:1)] 1-hexadecanoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine 381941.125 511162.9063 443583.0938 455161.375 343554.7188 349292.4688 493326.4063 531568.0625 384397.2813 307630.4688 452891.4375 439761.0625 290461.3438 397383.8125 522965.0313 561863.75 299682.9375 338126.4688 514063.125 452760.5938 315182.5938 328813.75 420516.3438 432179.9688 372947.5625 466474.7188 516238.3125 505367.0625 455002.0938 371263.7188 552191.8125 506896.2188 331931.6563 399088.75 431099.4063 408380.9063 Cys-Phe-Gly-Gly 484028.125 597535.875 621004.6875 818826.4375 506366 617778.8125 570620.5 708502.75 486137.2813 542916.9375 649218.375 801129 418740.5625 567286.375 792191.9375 799503.3125 441058.7813 529221.3125 688128.375 819593.9375 403823.3438 296961.2813 641619.375 618447.75 507791.7188 652941.0625 582844.375 705733 625235.4375 642984.375 587352.6875 769128.875 556430.25 698755.9375 531833.0625 530020.9375 LysoPC(18:1) 2166974.5 2520831.75 2454446 2959973.25 1506611 2019964.125 1582633.25 1437043.375 1638630.875 2202557.5 1899117.5 2890558.75 1415681.25 2059595.875 3650701 2901342.5 1570823.5 1628868.125 1590963.125 1626731.75 2250836 1349607.75 2412993.75 2266548.25 1845023.25 2697596 2670740 3201107.5 1289071.75 1364505.5 2015566.375 1683769.125 1337167.5 2528540.25 1499351.5 2053243.125 Arg-Asp-Asp-Gly 130317.5234 134202.75 104173.8281 118421.2813 89522.53125 93431.29688 97620.86719 97184.10938 122056.8828 99988.26563 101904.1797 98258.42969 57750.91797 89060.89844 122573.0313 119499.0547 74258.21094 77952.28906 98674.11719 103088.6406 95964.67188 77084.21875 74449.74219 85339.03906 99569.40625 85230.36719 123083.1328 111605.8516 115035.5 97240.16406 110591.8516 120840.4531 107566.9609 83869.78125 107628.1484 63629.70703 [PG (18:1)] 1-(9E-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol) 56230.3125 66436.35938 81121.70313 72220.86719 98374.00781 82067.42188 88118.53906 96836.10938 76474.16406 64985.46484 88394.96875 83607.88281 77348.125 71115.98438 72494.35938 95154.11719 97887.83594 96557.19531 101724.6641 87104.09375 75786.73438 104423.8047 80583.86719 66181.64063 96344.6875 99540.66406 95272.10938 120958.2578 119802.7813 91776.58594 110699.4219 114130.8828 89882.48438 73544.07031 91885.85938 88549.26563 Ala-Ser 73764.89844 120837.9141 95667.04688 88741.96094 89122.98438 74927.64844 79934.15625 84740.5625 98527.79688 71084.27344 112763.8125 83631.44531 52102.25781 72292.73438 86772.21875 95959.21094 65067.10938 78444.80469 100296.6953 74789.86719 99571.28906 74623.21875 66074.8125 71363.03906 98498.28906 91326.98438 89353.29688 114189.6172 68971.47656 73955.27344 92352.89063 84412.19531 109745.4844 101588.2734 91303.80469 54282.20313 2-Deoxy-2,3-dehydro-N-acetylneuraminic acid 1183612.875 1279405.75 1188578.25 1426898.125 1232268.375 1120209 1097655.25 1174820.5 1296286.625 1185683.125 1392091.25 1372460.625 1058300.625 1243113.875 1239516.75 1369888.25 1223416.5 1323158.875 1141272.5 1151245.125 1174954.25 1173712.125 1127368.625 1188911.875 1276706 1321150.25 1531933.625 1765383.75 1110615.375 1102206 1571013.625 1362059.875 1055707.75 1351873.5 1187308.875 929790.4375 1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol 890251.6875 612074.375 653521.1875 644519.1875 607699.5 684059.625 626640.9375 628075.3125 701908.1875 499323.125 701106.4375 610046 590568 787264.8125 808787.625 870810.9375 846912.0625 822113.1875 793357.0625 835505.5625 612709.8125 742728.3125 656539.5625 673128.0625 801901.1875 802991.5 958613.6875 833025.8125 643651.875 813713.75 820954.9375 803819.0625 581854.875 597025.125 587715.625 544829.8125 Glu-Met-Ser 221753.3125 229566.6406 220843.5313 233431.0156 208243.8281 160132.7656 193427.5625 206073.2188 198059.6875 170028.2344 190696.7031 159208.0156 167055.0625 212797.1875 208015.0156 238563.5469 176219.7344 202762.8594 185116.6094 176416.2188 192700.0938 203000.6406 145856.7969 134181.7656 213909.7969 199909.6406 221701.7344 220855.3281 227147.3125 197116.4063 257886.5938 233649.0313 227093.9531 186607.8594 175322.9688 89776.28125 Methyl 2-diazoacetamidohexonate 4893812.5 5892331.5 4339085 4380275.5 4379458 3601774.25 3572095.25 2966748.25 4322753 2617600.5 4304176.5 3611493.25 3099005.5 4500445 4801098 4760022.5 3559837.25 4412807.5 3521716 3383260.75 4825297.5 5163127 2536390.25 2963700.75 5284352 5284704 4502992 4559509 4660943.5 4078732.75 4989402.5 5366096.5 4288668 3345625.75 5063413 1053960.25 PS(36:3) 906231.0625 872486.875 699869.0625 740175.8125 772237.125 771919.5 844539.5625 756320.3125 889977.5625 633014.5 833154.1875 873741.9375 663943.8125 820827.125 907233.4375 1009103.875 845773.5625 855413.8125 876154.625 854108.8125 692436.9375 737942.75 653137.875 692272.25 768117.125 869114.5625 1003966.75 878235.625 706766.9375 894939.3125 865656.3125 910962.25 699038.5625 849584.0625 749840.9375 651331.625 Ne,Ne dimethyllysine 142353.8125 169549.1406 132892.8594 162569.5781 152648.8906 151548.3906 169751.7031 149003.4219 151771.125 122572.1016 165293.1094 180641.4688 127839.1328 141910.7969 168002.1875 209933.6719 172526.2656 199386.6563 204865.875 206113.9063 121143.3984 162988.6875 120763.3047 145071.4844 160108.625 165618.9531 175829.375 196935.4688 124836.0234 149260.1563 162554.9688 168621.3438 137520.3594 154809.75 178614.5938 133911.9531 Kievitone hydrate 1136311.125 1291251 1109074.125 1255718.625 917873.625 1092197.625 1019192.313 901264.3125 1059039.375 1130682.25 1096549.875 1391041.625 509501.2813 954699.625 1041350.625 1089055.875 908130.1875 991669.25 771001.375 871109.125 1082055.5 807116.8125 1037953.938 1135831.5 1235025.375 1247554.5 1274668.625 1409978.125 1579967.5 781513.875 1124550 1135076.5 869859.875 1233220.875 1223098.375 1140188.625 N-Carbamyl-L-glutamate 226852.8281 253694.3438 233356.2969 241960.1875 220635.4219 200511.2344 220403.1563 201071.9688 250436.9063 179672.7969 237677.6094 231064.4531 250926.3594 265401.2188 255700 248392.6406 216542.1563 254936.4219 230340.7188 268678.5625 258939.2656 242971.9375 181365.5938 232099.5781 297807.9063 307381.7813 279120.2188 283427.2813 226079.5781 282979.3125 293261.7813 302190.9688 221643.125 206999.7031 230206.5156 167619.5938 L-Methionine 26696450 31854202 27536590 29708402 20855184 23136468 19504532 20964510 23481730 28966668 23283670 32742208 15925081 20924562 31461998 35042416 24427210 24280962 27262432 24380904 25414740 21888790 27938880 26756596 29181224 30701828 32767588 37901220 28924426 19768566 25029906 25673994 22751534 34171576 23265474 25122844 2-Quinolinecarboxylic acid 160397.4688 210821.2656 336827.8438 376631.5313 109714.125 394015.125 204493.3438 289878.6563 127003.1406 378172.25 273897.0938 443661.8438 206660.7344 361297.2188 461602.875 441611 234716.4531 182908.4531 308365.25 689484.4375 111805.3438 71244.13281 407367.6875 504507.9063 305672.0938 349195.3125 482289.5625 266149 89483.85156 211608.7969 155549.1719 208362.0156 199594.75 459949 131379.6875 1158213.375 Cassyfiline 765352.875 916604.75 630194.5 878733.8125 434463.9688 387706.8438 321144.3438 344654 577813.1875 899192.4375 559376.75 956181.4375 312846.9688 586236.4375 800214.875 969615.5 472606.875 532902.9375 415789.75 531770.8125 861238.6875 401160.875 687507.875 727487.9375 782318.6875 1134165.875 651670.9375 869303.3125 363630.375 473774.5938 411645.2188 376893.5313 600437.625 970390.125 564538.6875 927597.875 (S)-2-Aceto-2-hydroxybutanoate 180702.2188 186258.4219 184939.7813 165365.6563 156529.6406 171733.7969 135868.9844 146919.1719 171819.8594 169228.3125 177964.8438 204538.125 122540.5156 140154.3281 181851.5781 187951.0156 138531 127589.0469 164481.0469 194962.2969 159701.6406 143934.0625 133833.0625 139037.125 176767.3438 179871.5938 192393.7813 191631.5469 150164.5156 166158.5781 218727.3906 198043.9688 160487.5625 189815.5313 166938.8438 180224.3906 gamma-Glutamyl-Se-methylselenocysteine 346355.125 383556.75 340869 352969.7813 376524.3125 305544.3438 302686.4375 366468.4688 267359.6563 265340.3125 235848.5781 309884.8438 745445.5 1011839.75 914534.5 971088.125 785644.375 913734.0625 992393.1875 740045.75 627290.9375 622475.4375 566492 719920.875 822782.3125 861076.375 833800.1875 754078.5 416404.6563 960405.5625 869233.75 1002728.75 311798.2813 321663.5625 267739.7813 224055.4844 LysoPE(18:0) 497804.1563 531828.75 475307.25 591033.25 305009.625 323430.2813 226966.4688 292920.5938 295318.3438 418392.8125 358277.5625 570040.0625 293995.3438 489282.3125 621662.25 732018.4375 337493.875 370052.5625 341313.0625 291885.75 552239.5 345402.1563 442064.8438 603787.1875 467062.5313 751696.0625 522212.0625 766911.3125 320922.75 363212.375 258927.7344 279824.9063 369742 646201.1875 279555.5313 451124.6563 gamma-L-Glutamyl-L-cysteine 279967.0938 314880.4375 249521.5156 231412.5 196396.2969 192908.2813 232623.7969 210111.75 286310.75 195613.5156 271047.2188 224739.5 105026.2422 107607.5313 158765.5781 149812.3125 167221.75 157075.2656 120663 158099.5156 153124.7344 139472.2656 79047.69531 85444.01563 162818.8438 134845.5156 134853.2344 157341.6719 154968.5469 120309.4063 155579.9375 175537.8594 203601.2969 171951.4375 239727.6563 132306.9531 Asn-Val-Asn-Asn 9679316 12865008 9696054 13672589 5595727.5 7697899 7103016 6667568.5 8139385.5 9781896 11141423 11028434 5659643 7774226.5 13617484 11108318 6870144.5 6106042.5 7471075.5 8240615.5 9075763 6483344.5 9493009 9415036 9390390 10751078 13630859 10742932 8553368 8743343 8691611 9759933 7504364.5 11328526 7651258.5 12350347 2,3-Dimethylmaleate 1141786.25 1200443.25 1040404.375 935581.875 634010.8125 614474.0625 631540.1875 651124.75 557600.75 1050204.25 974735.4375 1407429.25 344722.8125 555975.8125 902303.5 904033.625 440819.0625 478613.5625 412924.5313 606684.4375 774817.5 559711.0625 783147.0625 681810.3125 988319.3125 939915.875 832207 856062.0625 906453.3125 477183.6563 697703.25 418836.0938 645412.1875 1101913 759394.125 1197644.25 LysoPC(20:4) 237601.75 294298.0625 280325.0625 336002.875 289730.875 375606.3438 234337.9531 399729.3125 230289.5938 321138.875 318369.75 408428.7813 91329.52344 208010.3125 382523.5938 358299.875 248552.6094 178127.9531 236174.9531 286146.625 247396.375 208734.6719 293322.9375 336802.6875 268810 398549.1875 396529.4063 341679.4063 200311.3906 218338.4375 248026.7344 268722.25 109106.8984 374632.5 248191.7656 294036.0625 N-Acetyl-L-citrulline 243368.1875 249176.0313 310607.7188 302131.0938 260995.4844 270999.3438 277906.3438 269663.4375 295195.5625 321329.25 308167.8438 259241.9219 176645.1406 276364.25 261356.8281 232268.8281 230650.7188 225280.2344 355653.1875 325034.7813 156329.2344 119335.8984 309358.75 233460.75 245526.4844 283634.6875 316188.5313 219291.1406 125069.1719 170837.0469 208453.5 190725.75 248844.8594 339749.1875 207061.8125 321278.3125 L-Leucine 55613888 69747904 51580844 67320224 42346248 43255928 38946956 48661244 49200476 63895608 50434116 67124688 38428572 46182244 60188620 53935504 48861072 43932064 46615780 44526740 60955688 44411640 51463464 46510184 60403036 70837088 64755660 68523592 59622276 43938576 47655860 45847144 38925552 56915308 43915028 62128468 3-nitro-2-pentanol 38410.41406 43365.99219 61524.5 81213.91406 70055.65625 127889.7266 85106.13281 106254.4453 73673.42188 68421.73438 91172.88281 107152.1953 54717.52344 34942.82813 97838.28125 112832.1875 25342.84961 31378.90625 67991.54688 75810.90625 38229.91797 36147.63672 100249.1016 64497.49219 42013.34375 88358.5625 88250.0625 92484.53125 39742.77734 50017.125 79149.86719 67026.50781 70691.03125 50493.40234 80300.17188 98527.39844 octulose 8-phosphate 174168.1719 181912.7813 168140.5156 171801.4531 147981.2813 153199.9531 167176.1875 157976.6719 185424.5469 153074.2344 188736.1406 186468.9219 128891.1875 168221.7031 189736.9219 186464.4375 156280.3438 170336.375 164087.7813 157090.8438 150529.375 152739.8438 122179.6797 152319.5469 182158.5781 186193.6875 178686.9219 204813.0313 169787.4375 163139.6406 170928.625 187900.4375 180496.7969 155545.7344 176453.5469 108410.2188 melibionate 194756.5156 240906.6719 194031.0625 170341.0625 178776.3594 169211.7188 133589.6563 150261 194705.2813 156066 172585.3125 159387 114962.0859 135138.5469 222148.3594 179914.9688 150307.0469 138297.8438 143006.0156 160439.4531 162776 138497.6875 127624.4688 147354.0625 168368 189930.3281 190877.4063 201903.7188 172379.7969 164718.25 188416.8906 212205.6406 158367.6719 187591.1875 181553.3125 131364.1406 L-Ornithine 9660686 9480969 8695998 9906217 8766692 9091807 7614992.5 7798637.5 9352063 8076119.5 10208574 11060733 6885519 7997673 9043918 11170525 7375332 8433050 9126988 9293193 8791374 8672096 7586747 7729947 10181909 10913544 10773474 10898427 8184826.5 9008115 9540909 10146200 8879984 9340271 8920150 7994231 AMP 5407048.5 5342355.5 4818540 5684157 4845228.5 4256461 4779443 5026051 5802730 4663037 5528120 5060353.5 4446644.5 5970879.5 5936540.5 6313972.5 5686802.5 6202671.5 6328836 6502242.5 4952502 5146770 4667784.5 5069371 6756427 6405669.5 6325020 6401662.5 5840577 6498978 6994159.5 6805601.5 5958527 4890782.5 5938265.5 4345287 O-Acetyl-L-homoserine 540880 601270 570736 656467 790240 1422583 1111244 1130836 2084217 1304574 2017899 2014531 326417 448290 547980 624434 464665 405883 835105.75 871679.4375 803172.25 522528.375 796288 773152.1875 947331.5625 747629.4375 1025327.688 1075082.75 675643.75 856802.0625 995041.25 959540.5625 1187076.375 1101673.125 1322873.875 1751331.5 Gyromitrin 1608424 2042781 1647843 1943959 1190343 1274205 1257952 1373412 1583457 1661555 1332495 1814373 1125108 1417229 1816831 2244494 1406345 1342011 1250361.75 1446454 1540793.75 1273394.75 1741228.25 1730190.625 1612039.625 2289632.25 2093880 2273431.5 1718053.125 1463739.375 1509812.125 1676287.5 1384930.25 2028575.875 1532943.875 1601340.125 L-Glutamate 43333388 53264888 44591528 53217624 33931176 36317424 35058612 35211376 41812496 50394416 43040228 60572040 26389122 38970448 49600156 52941000 34227708 32751860 30529902 33640688 38251544 30883216 37067748 37925508 42497576 52540820 42174960 52803304 44419132 32293986 36965292 34408228 38893032 54868468 42378948 48512900 L-Alanine 2975743 3123208 2858643 3147539 3373210 3237190 2929737 3101083 3154385 2687736 3684529 3569344 3028134 4236107 4490866 4369728 3258297 3360612 3947864.75 3578624 3617983 3128139.25 2991353.75 3449230.5 4292473 4100142.75 4478444.5 4570778.5 4086086.75 4025971.25 4191102.25 4216759.5 3090906 3272359.25 3174724.25 3213837 nonulose 9-phosphate 100746 101270 87831 103017 88638 87258 88369 83891 104341 86921 94516 108742 65807 78376 104011 85161 81135 87723 81864.35156 78505.3125 84755.13281 82073.78125 72543.05469 63877.08594 84084.72656 99917.08594 104419.4375 113008.1875 124430.625 85236.44531 99652.41406 101961.7656 98576.77344 98540.07031 93382.89844 57611.23438 UDP-glucose 2526929 2527184 2463565 2770518 2150868 2110226 2086492 2321044 2535540 2129877 2469857 2686030 1420200 1612500 2397845 2446549 1723064 1772862 1849133.625 1918711.75 1999082.375 2084290.75 1525564.125 1737575.625 2183231.25 2413327 2528788 2603480.5 2535497.25 1892323.5 2305254.25 2383788.75 2263698 2245490.5 2226270 1588806.125 PG(36:2) 470401 459440 432754 429244 389460 461268 402664 426058 455262 396275 534714 466551 450734 603336 562693 611194 601648 703911 651804.0625 660890.75 460602.0313 482776.5 493595.1875 493087.4688 577287.75 674892.25 693878.125 614914.4375 555091.9375 629401.1875 738527.75 683667.0625 433735.875 451210.5625 442587.9063 393809.5938 Glutathione 76162432 85201248 74848664 79558832 56274852 55397992 57081992 55821820 62290512 70288696 59316692 75417216 47269684 55610956 74639496 71768232 55044116 56599068 47213864 54384992 65134972 58223804 52858568 52765336 76778632 73497272 72808872 80837152 83319600 60354120 66503288 65797012 61681524 73380416 60393224 41500288 D-Glucose 6-phosphate 2541363 2627279 2433581 2587173 2278785 2250045 2156065 2293422 2111176 2129934 2146028 2294700 2072603 2553593 2903610 2804668 2314128 2496269 2297283.5 2250551.5 2396481.75 2653303.5 1906826.25 2054345.875 2802135.5 2904866.5 3203743.75 3140669.75 3329338.5 2889166.25 3054239.25 2994588.25 1922022.625 2144001.5 1964944.125 1419424.875 deacetylcolchicine 421563 510967 459337 555845 415695 348786 328385 416203 597761 397572 390413 438031 286947 322425 508327 508084 334722 337567 325564.0313 309821.7813 362087.9063 264603.5313 331609.5313 477417.125 471966.125 570047.875 367687.3438 512926.5 387045.625 407263.1563 460210.5 402291 389732.8438 469263.4375 318716.8438 450793.6875 L-beta-aspartyl-L-asparticacid 185101 177501 146610 188521 149403 145111 160501 143541 182603 147738 161092 155520 146248 159467 236220 232324 182237 194606 204962.1719 202114.3125 176467.4375 163884.5625 124189.0469 131872.6563 181898.9375 188682.3281 213565.1094 214789.4219 192094.9063 158656.9063 216195.7031 193813.4531 160697.8281 142443.2813 144890.2188 119675.3281 L-Glutamine 311265408 372144960 302178432 362991648 248156560 228073440 237905696 244698656 277977504 288861504 259718384 345955616 224464336 247734144 345234816 358616320 235881664 251410528 222296736 247844448 297870368 204859152 290300288 276742560 331799936 359668192 324533184 418801792 313761120 238595984 277492544 294002688 247322944 376088256 256863424 320211744 L-Glutamate 5-semialdehyde 55064896 72564680 62751232 63732160 44076512 44042120 50435584 43974520 49744912 59533232 53326540 72182056 33558556 47478676 62364388 65168236 45049996 38775464 41315236 45131064 54733424 42742116 53096300 48782804 57746816 70929528 66955276 71866792 57237568 45815168 47736528 59134844 48860436 70137784 51519776 64136936 D-Fructose 6-phosphate 328820 347639 324600 347761 299456 320178 348747 352830 606485 601859 610573 701909 298473 365161 482911 429387 370782 399086 621627.375 349374.2813 370498.9688 353664.6563 281888.5313 361426.9688 477296.5313 443791.4375 478322.875 445037.1875 898738.6875 440851.0313 491092.7813 493739.5 565571.75 276852.1563 291570.3125 270683.8438 D-Galactonate 4797566 5422029 4434581 5136751 3802042 3932239 3834608 3878179 5202446 4561077 5284180 6215114 3293992 3389709 4753917 4630120 3426290 3258975 3692451.75 3662293 5084196 3769318.75 3062442 3329248.5 5663663.5 5047434 4742159 5169791 9139245 4861761.5 5805936.5 5382239 4276279.5 6153457.5 4543750.5 3563981.25 5-Guanidino-2-oxopentanoate 366900 667208 487706 498625 377695 356440 330211 300857 334629 411970 704194 607703 348941 366534 419295 475856 231187 372612 257700.9844 205002.3125 324254.4375 244271.8438 258810.0313 299475.75 379426.5 400075.625 394110.8125 358510.7188 488523.1875 396629.0313 340139.5 225586.5781 363055.2813 359423 381040.7188 442749.1563 N2-(D-1-Carboxyethyl)-L-arginine 201955 199887 154434 161548 162266 224416 168303 167364 178563 145153 194230 150058 279770 351967 350797 311838 249571 354768 362197.9063 296544.6875 267857.9063 221363.5469 214300.0469 289220.5313 369819.2188 368045.6563 303727.5313 310221.6875 230560.5781 278860.875 343124.3438 364102.2813 185056.3906 183271.4375 212726.2969 170541.5469 Decanoyl-CoA 335715 314920 309795 327769 232540 237678 262111 235706 263001 154907 236236 184788 224353 251478 312764 273157 236789 255168 211195.5938 212214.7969 253177.4844 277530.9375 103741.3984 166550.0313 270755.2188 248651.4375 280416.5 292895.625 357401.2188 308474.6875 379841.4375 286477.3125 252910.6406 221255.5938 238700.2656 64604.39063 Met-Met-Met 658154 639365 538740 559736 471097 357368 392401 449295 592658 370801 483865 425539 373042 455923 587971 619447 421270 489287 365564.0313 478592.5 519868.3438 569980.25 274053.5938 376399.0938 617484.8125 511628.1875 659858.3125 586550.4375 564199.75 529732.125 635944.8125 669498 442262.4688 395056.7188 499308.8125 181572.8281 D-Mannitol 1-phosphate 3083834 3238732 2693073 3083535 2296533 2233925 2239752 2372160 2702063 2488843 2867732 2997292 1602775 1864272 2949460 2973651 2051816 2033642 1953389.125 2269148.25 2258668.25 2066274.875 1760836 2083051 2438022.75 2847931 2830487.75 3043466.5 2928663.5 2133803 2606246.5 2761012.5 2437230.75 2639547 2528913.5 1915594.5 PS(18:0) 138798 144161 149142 152840 141801 203992 188174 183995 151410 142977 151023 187651 108422 139548 211705 194776 117972 134999 162744.25 137142.2813 110985.3828 96524.85156 129058.2813 155011 124023.7266 179635.9219 193703.7656 175682.5938 147097.6406 133066.2188 166483.0313 179765.1094 137915.6563 187038.9219 154345.2031 153965.0781 S-(2-Hydroxyethyl)glutathione 352743 345913 324302 328869 247565 212489 224891 255724 283810 203037 261300 258827 245954 241945 306769 358839 261294 252713 210041.1094 213896.0625 289120.3125 304811.3438 164642.5625 159153.4375 288329.9688 385769.4063 309601.75 274291.5313 175693.8281 242894.9844 305383.375 317631.5313 261935.7031 227708.2031 271120.6875 129405.0547 Trp-Ala-Cys 212809 224727 182998 222627 168300 180376 182929 144303 222967 166237 228893 205902 93517 137851 188783 199489 120262 135923 150723.0938 150704.9219 167210.0625 190167.8281 128455.9688 131614.0469 209623.6406 201050.0469 230093.1406 206824.5469 173561.7813 152040.2969 197703.375 191223.0156 211186.3438 183090.0156 213137.5781 130835.8984 L-Cystine 3535816 4710868 3471245 4394246 1097738 1137248 965666 878712 1921510 5283070 2371083 4573988 1218568 2338075 2923827 3827555 2256081 1435600 1409107 2262167.25 3783367.5 1363391.5 3485881.25 2952168.5 4576916.5 4322444.5 2952527.75 4123203.5 3154336.25 2183749.25 2219055.5 1731953.125 2008825.875 5282626.5 1592869.5 6579881 Cholate 116375 134029 118145 128499 72417 96394 87407 86173 102970 138830 100948 136897 103515 129994 170270 170452 126437 135537 116634.2188 127558.2969 145436.1719 103265.0078 120221.4141 144028.2969 150373.3594 204190.9688 183672.6094 169579.375 212757.0938 129330.6406 129793.9219 130113.625 103369.625 138976.7813 81082.05469 113838.8125 UDP-N-acetyl-D-galactosamine 2393953 2387240 2188170 2377330 2218631 1787111 1953581 1946507 2184112 1682967 2065021 2212831 1377659 1530057 2209470 2111996 1705245 1786438 1786397.375 1735737.125 1623058.875 1681139.25 1563574.75 1797424.375 2250090.5 2307707.25 2325523 2341232 2263486.25 1719079.25 2242269 2247416.25 2066037.125 1939409.75 1908990.375 1311903.375 Lys-Ser 30509 36229 39280 35750 32582 33916 37809 34032 35317 31430 36201 41684 39303 51527 55467 36865 182104 202996 192563.1094 186701.5625 43258.13281 35354.17969 34154.17578 41833.48438 55820.08203 47670.13672 59825.79297 50678.26953 46506.26563 47910.98047 61501.90234 40741.60156 37310.66797 25893.27344 34191.48828 19892.34375 Anthocyanin 3'-O-beta-D-glucoside 62791.98047 66539.33594 49627.40625 70654.78125 61140.28125 62337.73828 60858.84375 64871.52344 68480.91406 50358.31641 64866.99609 58525.94531 69080.09375 91928.13281 102820.4063 93722.89844 56582.13672 61113.87109 69291.21094 61074.29297 63369.9375 69630.53125 68847.10938 68984.44531 88987.52344 98592.74219 92536.32813 94957.10156 74191.76563 87077.60156 106222.8594 100778.0313 58926.875 54832.02344 59402.96094 58974.48047 L-Isoleucine 51155384 69747904 48201436 56847204 36893512 38956276 38946956 38210712 44736364 53349840 46280100 59250256 39607888 47811540 66301884 69926416 44079608 42960260 42396068 43940312 50321788 37783312 43414656 46289760 57679576 63085812 59384448 66303412 54914204 58485708 58437892 57277488 45953216 56915308 46004572 62128468 N-Acetylputrescine 2146092.75 2469011.75 2021826.875 2660483.5 1300117.625 1492194.75 1449371.75 1489451.375 1809377.5 2406255.5 1951965.875 2827509.5 1118334 2095999.375 2250671.5 2897591.25 1668160.25 1457158 1456731.125 1695845.875 1868979.375 1409870.375 2097691.5 1892730.375 2296007.5 2635083.5 2349254.75 2805314.25 1480168.625 1309187 1615407.75 1738902.125 1441080 2530642.75 1765436.125 2346633.5 (Z)-4-Hydroxyphenylacetaldehyde-oxime 78193.25781 86245.875 84959.01563 85123.13281 110682.2578 131749.1719 40542.35156 131031.4375 115671.4844 116515.7422 85628.76563 94431.35938 83231.41406 64844.91406 78272.72656 79660.13281 52248.70313 43823.0625 116525.8281 67550.70313 64752.09375 51759.19141 71863.73438 68581.09375 73374.96875 91908.35938 82530.25 108895.125 121079.9063 117771.2578 61083.47656 56177.29297 57341.13281 87278.92188 94939.80469 46874.49219 Orthophosphate 16715973 15714973 15567146 16810942 13220635 12874241 13412344 12898925 16918000 16076897 16961072 17620606 11482631 12362791 15528251 15184666 11866134 11915015 13431979 15199149 13613317 12544255 11702671 12164805 17412736 17240322 17965576 17073100 22498968 15850740 17887130 16896170 14998963 16812728 14524453 15458737 Glycerophosphoglycerol 348188.25 410270.5938 362212.25 440120.8125 290538.4688 312959.4688 319415.6563 349143.0313 419238.75 355724.5313 456836.5 410338.0938 271366.6875 321163.7188 422690.5938 441245.875 343983.0938 339645.1875 419375.5313 402412.6875 316299.1563 325629.5313 305490.3438 353920.375 415276.0313 445806.3125 501099.3438 467537.9375 439610.125 388508.75 536439.1875 478918.8125 324838.2188 363992.9375 360562.1563 350930.9375 Glu-Ala-Ser 80278.53125 85020.21094 76950.38281 70233.57813 81453.60938 73018.51563 60560.95313 77941.77344 81010.42188 66408.125 80750.79688 82957.57813 46229.33594 80182.75781 87953.07031 95864.41406 81165.4375 80021.76563 55351.29688 61507.36719 58439.33984 58909.52734 64611.51172 72625.625 84332.00781 100672.0078 85695.53906 89397.51563 79023.875 80689.76563 84821.73438 95899.51563 76992.44531 72104.64844 78938.14844 59679.92188 D-Galacturonate 718360.0625 850406.125 698984.5 771216.6875 457887.125 638775.625 529850.6875 513215.375 698815.125 798949.5 813552.75 878295.75 281131.5 483322.9063 717264.0625 832751.25 571943.625 505518.625 461735.9375 571117.375 621701.9375 473417.3438 568763.75 534936.125 696509.625 813058.375 807012.9375 802944.5 829530.5 533302.6875 595382.8125 606953.25 553329.8125 767019.1875 676441.1875 668554.375 Thiamin 636279.625 841647.875 621542.6875 724348.5 405805.8125 463800.0313 443580.0313 411529.2813 509593.0313 762601.0625 601205.5625 821745.875 466082.3438 597340.8125 863684.0625 761953.5625 524787.5625 598294.125 492313.6563 579673.3125 625106.5 555873.25 609237.8125 570787.6875 811203.6875 855315.125 754614.125 955794.4375 767826.5625 576317.625 582452.0625 682616.5 545511.4375 784290.1875 568723.5625 659453.0625 L-Aspartate 24870264 30947674 24020412 31095538 17124194 16811204 17229444 16619581 21733006 27615842 21777872 34576664 10979716 17374992 26048692 30616160 20699260 18943832 18163242 22593744 21605388 17166690 20059852 23664720 24356412 32021238 28306038 33627344 26259560 16953050 20880262 20446918 17628094 29254032 20192664 27131876 2-Oxoglutarate 4950807.5 5165805.5 4140934.5 4801752.5 4365692.5 4021958.25 4371729 4319406 4812535 4054896.25 4750017.5 4863275 4464312.5 5264410 7006878 7213875 5145814.5 5346069 5402603 5726725.5 5721515 5616018 4827506 5249362.5 7019659 8272878 7538698.5 7921674 6935324.5 7054959 6862811 7376299.5 4388824.5 4786494.5 4583083.5 3417935.5 Hydantoin-5-propionate 132647.7031 137513.5 139029.3125 139491.2344 124719.7656 117503.0781 152690.2656 123168.1016 133155.4844 109887.9531 143840.1563 148830.375 152256.7031 165569.7344 177148.9688 195646.2813 120325.375 122216.7188 114817.8281 141551.5156 138384.7969 125307.9063 119237.3281 130111.9453 176489.8906 193933.2188 177854.75 189222.4531 162866.6875 162687.5156 177503.4531 181273.375 119171.3516 138979.4375 136763.6406 118276.1406 GDP-3,6-dideoxy-D-galactose 167127.625 329207.75 299461.4063 428523.9063 225537.9844 445974.0313 426230.25 661784.8125 208536.1563 156586.2344 421795.0938 704686.1875 112373.0469 264140.4063 501438.875 924939.4375 123890.8203 231265.5156 345659.125 346111.2813 121804.4063 136574.7656 264600.9063 430146.5625 160869.4531 394998.5938 415120.125 413258.1563 108995.4688 169993.4063 475261.5625 443637.875 108024.3984 518052.5313 231453.1094 418730.9688 L-beta-aspartyl-L-leucine 197275.3438 192316.6563 155549.0781 186054.3125 126493.6484 149912.0625 146763.7813 125901.3125 165587.8594 178059.8438 158048.2813 199738.8594 152963.625 158050.1875 177134.6719 200606.375 150025.2031 155994.5625 165726.1563 172078.6719 136225.1563 140075.375 131513.2813 158882.1094 182474.4063 205201.7031 207088.9219 239579.8438 178111.6094 196827.9688 209142.4531 193502.1875 158627.6094 165667.0781 205137.6563 128809.9766 [PG (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) 296671.4688 279476.6875 352232.5625 329621.9375 373758.375 449263.3125 444932.75 438597.4063 385401.7188 310233.125 467116.0313 328685.4063 394011.1563 345940.9063 363978.9063 345628.6875 391360.625 464083.1875 530656.6875 445024.7188 294314.625 322896.6563 246000.5625 267360.1563 396867.6563 411462.875 434753.375 421910.0313 514340.4375 500091.875 604728.5625 565101.5 382522.3125 333614.9688 480978.6875 308665.7813 FA methyl(15:0) tridecanedioic acid 16549.04297 1580512.25 2320704.75 105944.9375 2666304.75 672989.25 2521402.75 1726216.5 1053058.25 1197330.375 1251226.5 1702776.25 3056452 1022465.813 1392442.125 1990238.375 3148590.25 1636989.875 1256676.125 830179.375 1019555.563 461977.4063 771267.375 741805.3125 164748.25 1609369.375 2152740.5 488019.6563 148796.5 104038.1797 1070128 141583.5 63478.24609 787315.375 51712.11328 201804.7969 gamma-L-Glutamyl-L-cysteinyl-beta-alanine 160054.2969 145170.125 129146.4766 148529.25 80272.70313 81223.78906 82972.36719 81043.55469 135228.8281 101825.8438 149566.625 118707.75 70366.42188 96251.76563 145494.7188 127878.9297 97692.51563 94458.72656 101157.6719 135250.4063 101805.7422 112913.7031 68545.125 95887.64844 132069.9063 134951.0938 142295.6094 150921.9219 88208.5 129495.0625 157464.875 146205.1563 121035 120314.9219 125381.0156 89740.36719 Ile-Cys-Phe 121381.8047 105143.2031 119625.7344 149852.7344 78036.16406 85916.30469 90769.22656 98224.42188 108235.6797 114425.8672 131438.25 162800.1719 76838.16406 108282.3516 160016.6563 142824.8281 109553.8828 113171.8281 112057.3672 122795.1641 74518.36719 75090.52344 111826.9766 120835.1875 133285.2969 161499.875 149850.625 122842.9688 99704.28125 136487.2344 113255.4922 122906.6797 90372.9375 139968.7813 103131.0938 111052.0625 L-Histidine 31122078 35771520 31456434 36089144 24273828 25795860 26916208 23703084 31354734 30352138 33685412 38681028 18840282 32381222 38075768 38117296 24803752 26529816 27154624 27391794 28982406 24601458 25656366 29549136 34602516 40599496 40978980 45504572 42030552 29192382 33795844 32795108 26219694 37895636 27813424 33286692 LysoPE(18:2) 61053.8125 85532.71094 77848.33594 99304.34375 65022.17969 100859.5859 87648.26563 88902.75 76212.90625 65497.875 79691.74219 106899.3281 41140.92578 53171.96875 121946 109153.3438 50217.00781 50449.16797 63172.32422 84435.46875 51210.93359 50060.39453 71770.88281 87360.96094 64589.14844 104810.8516 124231.0859 95782.92188 76805.60156 57797.83594 77473.79688 89923.25 37962.44531 99260.14063 78009.14844 80572.85938 Aspartylysine 164806.2031 156020.6094 139062.5313 149748.4688 193900.9063 144729.4531 140381.3438 160634.3906 163641.2344 117009.1641 158907.0469 166513.0156 160615.2656 155167.5938 171511.7656 202054.375 157309.4219 134776.375 139356.1875 134140.5156 142503.4375 145408.4219 126680.1016 181146.1406 221185.7344 216665.8281 246086.0469 213753.4219 192903.1719 209235.6719 206027.875 214970.5625 173874.6406 133236.5156 161181.6719 115571.8438 Asn-Asp 76724.80469 77253.53125 84173.21094 87502.10156 94425.21875 81443.29688 77675.52344 79171.52344 85894.8125 62418.14844 89225.875 97247.60938 105146.4141 105651.0234 98130.33594 124856.0859 101638.7344 116396.3828 89023.625 97143.6875 83785.1875 59594.60156 70628.75 74021.125 116165.7656 102445.6328 119338.8672 100294.7266 72912.98438 96463.82813 112073.3828 140436.0781 107813.5469 74872.42188 73305.23438 78405.17969 PS(15:0) 594287.625 430724.2188 419179.5313 427784.6875 236237.9375 352588.2813 324613.9375 328414.9375 354887.3125 246215.2188 338266.9063 537840.8125 412761.5938 313030.3438 396618.0625 508996.5313 288494.8438 286213.8438 270051.375 355025.2813 350811.2813 338536.3125 199620.2813 243590.3594 464610.2188 404017.5625 455025.5 401332.4688 303399.2813 408887.8438 339540.5938 366760.4375 466159.8438 418279.2813 254943.6094 320182.3125 Ergothioneine 11432160 11451354 5824795.5 7178293.5 6610478 3888174.25 4928892 3579130.25 11232655 4220055.5 5691573 4499487 3846652.5 3827052 8875714 5631989 5083320.5 5429655 2630747.5 2183685 11843315 11282841 2410968.75 1953983.25 9656643 9335994 10002045 12896045 30322608 8908158 13593328 11763160 8400077 4838970 8583608 208640.0469 L-Tryptophan 7286780.5 7794019.5 6558724 7354001 6412969 5062550.5 5912453 5378540.5 6699127.5 6842770 6591553.5 7860655.5 6111388 8403552 10849574 10338600 6983809 6323239 6347904.5 6467436.5 7507288.5 6028412.5 6331730.5 6271227.5 9090836 10435836 9567183 10774988 9712001 7836310 9055318 9178996 5884869.5 8050983.5 6800975 5563347.5 L-Phenylalanine 8483959 8430360 8746449 10062670 9237518 9122141 9457018 9006503 9399547 8956821 9275893 9471732 9466417 12100943 13022069 12676589 10107346 10863690 10344890 9066164 9187399 8378874 8530209 8094772 13196184 13974538 13017400 11989303 14778695 11011017 12848369 14235163 8247553 8509894 9562588 8927246 L-Valine 23769876 26030960 24408220 25320004 17134496 21057072 18241348 18207242 19549898 22935384 21485156 28727014 20971370 26997114 32546726 33537578 22087812 22046012 20280808 22779670 22023890 19141616 22460838 22556236 31059816 33861228 32230704 35078336 28756674 24722116 27555780 27192900 18853168 25247380 19443920 25194528 Arg-Lys-Pro-His 137157.3438 114377.9297 152683.7344 129457.0391 127830.0938 107938.4063 115771.9922 116048.3594 136614.875 134589.6719 151964.2031 136959.8906 113023.9141 109452.0859 99653.11719 110289.7969 93919.57031 112483.6719 136035.4219 108383.6875 103214.0859 102270.5313 100454.1875 105991.2188 151365.0313 181886.2969 160791.7656 142456.7031 177832.3125 149792.2656 103742.8672 135155.5938 95475.00781 108643.6328 98631.39063 140310.8438 D-Erythrose 4-phosphate 77692.42969 65900.99219 71416.89844 86142.90625 70368.53125 126416.3281 85209.40625 89605.05469 106053.3594 122157.9844 148756.2344 148561.7656 15306.4541 15478.28906 49213.03906 53671.77734 15576.94727 41656.48438 49216.19531 44726.23047 35616.53516 64308.40625 47045.26563 58889.76953 78356.15625 77571.82031 81988.08594 159344.625 51134.78516 88483.96875 80713.8125 64269.03125 103946.3125 101649.1406 126302.7813 Pyridoxal 357657.7188 387450.4688 354244.0625 407552.1563 323398.4375 320273.625 384742.5938 311697.3125 405218.25 361804.375 380428 480388.4375 237866 240651.1406 285752.375 297034.0625 250033.9688 242170.7188 255865.6875 301319.4063 286125.2188 183174.5781 264313 237628.3125 343287.0313 355624.4688 350586.1875 470758.6563 684496.125 314580.4688 458369.625 382020.9375 348197.7813 378737.125 309393.25 243421.4531 Citrate 5962468.5 6742446.5 6047394.5 7515231 5399577 5997997.5 6075499.5 6022569 5420393 6699843 5929533.5 8986943 3707991 4563974.5 7135590 6642294.5 4950281 4425928.5 4755720 4617993 5258794.5 4623193 4804867.5 4604359 6779048.5 7032936.5 7552396.5 8859756 8904431 5041434 7151898 7226429.5 4878106.5 6565543.5 5372049 6401940 2,3,5-Trihydroxytoluene 80387.375 78545.69531 74791.59375 92665.20313 53956.94531 60215.62891 50789.21484 47569.14063 81524.20313 68541.64844 67993.72656 74448.74219 38472.24219 46966.87891 73712.46875 66093.84375 44401.53906 43901.97266 55551.25 68696.29688 65978.39844 51450.64844 37184.44141 56493.46094 69421.33594 83281.59375 87555.89063 90812.28125 56835.32031 64565.73828 71697.4375 77205.17188 80447.67188 82370.89844 59238.00391 52795 betaine aldehyde hydrate 28401.6543 68041.92969 27814.26172 30193.70703 64781.30469 134350.9844 75993.78125 67177.3125 48120.46484 56159.02344 32181.72852 84646.77344 34037.17969 28087.26172 57945.23438 41672.60156 22329.08203 46728.16016 52583.21875 20947.98828 67216.04688 35616.48828 26080.27344 29825.00781 56875.13672 78861.34375 69654.875 25423.99023 29695.71094 71884.96875 64890.12109 18740.77734 63710.74609 18235.28125 58998.41406 Trp-Trp-Ser 26875600 33730292 29511210 32680152 5096996.5 7078509 6746655 6030692 17739228 30107866 19783850 33657620 12803267 19009446 36597752 32955318 7830742.5 15617134 13112593 11107427 13012697 12183151 29126476 24861916 25274122 32285560 31879018 35082792 21038228 9602011 21029642 14021830 11761908 40260696 15818685 34657668 S-Adenosyl-L-homocysteine 369629.7813 403499.375 346578.4063 392158.2813 317100.5 363941.7188 404697.7813 405594.5938 382032.25 333616.6563 380276.5625 382152.375 433216.1875 572623.5625 597930.125 631196.625 369317.0313 420086.6563 442149.0625 433932.2813 422409.125 423115.1875 344758.5625 394318.9688 583781.5 610572.5625 664682.1875 645004.125 479176.5 539056.8125 597356.875 668500.125 377004.0938 414156.9063 405679.4688 339665.125 NADP+ 694924.125 675163.9375 716035.1875 844861.9375 512441.1875 578276.1875 559499.75 625004.6875 661011.25 714810.0625 723616.75 997880 407449 463008.9375 721432.75 646053.6875 409771.3438 417925.5313 444651.4688 540864.6875 562101.9375 545267.0625 413017.9063 460343.4688 612568.9375 723496.5625 838186.375 985899.75 1622916.75 527384.9375 763821.75 717598.6875 633112.3125 700366 538562 511065.3438 Sulfoacetaldehyde 72182.88281 101163.6719 80482.375 96070.64844 43734.44922 47119.30078 73704.40625 42882.03125 79320.55469 86644.92969 64527.20703 102771.6094 43274.27734 67472.99219 101662.0391 115784.2734 49150.3125 50498.85938 49524.72656 64587.51172 64133.82031 47006.15625 74668.4375 80559.13281 93156.60156 105025.6172 102903.6875 128222.0703 52010.29688 50016.69531 57672.40234 63840.04297 50803.13281 92943.17969 61694.66016 102232.5234 3-Phospho-D-glycerate 1345809.75 1332614.875 1250429.125 1635965 982907.5 1028744.125 1017245.438 1049798.75 1624146.5 1331899.375 1681815.5 1931300.5 431208.0625 450598.2188 1080767.5 916528.25 464289.7188 441727.3125 585663 710463.375 695058.875 742963.9375 557024.4375 639162.3125 804366.6875 922770.8125 1111253.5 1421261.125 2055545.625 634326.75 1039948.25 908205 1126082 1287733.375 1230278 1032644.188 4-Hydroxyphenylacetylglycine 264880.625 306359.4063 318115.3438 402587.4375 293327.75 294343.6563 235625.5781 241040.3438 316909.9375 298864.0625 337049.5625 363445.4063 249503.8438 244084.875 267221.375 380736.5313 271025.8438 182422.1875 239739.5 353670.1563 206146.7969 250809.1406 192024.3438 278228.1875 310994.8438 301806.0313 381050.375 507056.2188 809372.5 264307.0938 333517.0938 305413.8125 281311.6563 288070.4688 292115.0938 253201.1719 Convicine 210208 200207.3438 161600.0156 219689.7656 149294.0938 124970.4375 138624.0156 134534.25 196330.3125 149625.75 170313.5 199169.0625 90274.375 108486.0391 187055.3438 158294.3438 127587.9375 115191.6875 114190.75 148194.0156 142068.1719 125368.5234 90727.64844 100041.8438 162272.7813 160676.4688 202962.8125 215899.1719 244789.9063 127602.4297 151999.9375 164861.8125 153905.8906 178574.1094 157628.7656 108476.2188 L-Arginine 34907060 35401036 29441996 43161992 20128056 20204758 17979292 17165872 24995678 29928556 28980848 42096608 17512482 22360506 33446220 40873608 19493292 18811244 23624618 25235200 27784660 20699788 24431492 26920418 37068540 40732436 40516488 43371160 37696844 24213560 28975694 29882242 20969060 34830216 21883904 35190992 L-Threonine 11492994 15412708 13383531 13579411 9300476 8996326 9968821 9542161 10289542 12281243 10761175 15854302 8522152 11745332 14417214 16016117 10334996 9029938 9528809 10678055 10870875 8500952 10701149 10108031 13709434 17151380 16999196 17238804 16332005 9327505 12841289 14226648 10039559 15299416 10658188 14227510 (S)-Dihydroorotate 22388.42188 22361.36914 16652.73828 17475.24414 23783.75781 18890.02539 24642.25977 19685.875 23675.2168 24413.64453 24887.26563 32039.06445 1732542.75 2403039.5 2576687 2748715.25 24959.12109 21295.12891 32072.00195 25197.98242 13169.22949 24995.83789 17329.86719 24500.37305 31086.45703 41568.07031 28699.34961 29682.56055 19862.85547 27943.70898 27288.55273 29364.94922 21896.92188 25302.90625 24513.98242 26906.53125 PG(34:1) 471446.2188 458661.2188 455072.25 477905.9688 422384.7188 478055.7188 431090 474707.375 448745.375 371529.7813 531589.1875 440822.9688 523654.0313 619300.0625 674455 661620 624112.625 731618.125 712610 762827.6875 311970.7813 505540.0938 470300.6875 478184.9063 649264.0625 761614.4375 777076.8125 715461.375 597761.0625 678005.9375 798325.3125 724119.75 415075.1875 442783.625 484749.9688 355698.6563 beta-Citryl-L-glutamic acid 122456.5938 153185.0469 130596.3828 129779.3594 66994.86719 89425.26563 101226.875 76046.875 111208.4766 117511.6094 124364.5469 143392.2188 36023.4375 45851.8125 102436.4219 85304.04688 69580.58594 43647.64063 62544.57422 86300.90625 72817.5 61673.41406 55653.26172 66906.69531 86157.53906 102224.8984 119235.6953 115168.0625 244766.6719 86926.875 87088.46094 116301.4141 97618.82031 96392.74219 91315.59375 86420.71875 2-C-Methyl-D-erythritol 4-phosphate 2140619.25 2683965.75 1930218.375 3122495 914884.125 1024833.938 953809.125 839955.5625 1345637.25 2864474.5 1756888.125 3428496.5 434123.6563 1181919 1917364.75 2172703.75 1170915.375 833752 633293.875 1083974 1718702.75 781146.1875 1731744.625 1667433.375 2185225.75 2623492 2247789.5 2668251.5 3642257 890355.4375 1219575.875 1023713.813 1287140.625 2952430.5 1332710.125 2528262 GDP-L-fucose 62151.17969 70466.83594 59779.86328 76030.3125 48939.05078 49334.69922 63044.05859 48678.48828 69057.39063 73188.96094 71953.4375 76804.96875 33578.86719 35154.9375 62483.71094 56460.35156 35164.35547 42763.6875 36595.47656 56251.55078 44991.83984 58013.71484 41172.93359 36899.80859 59766.54688 73647.14063 78575.82031 88672.86719 126341.9375 54370.92188 66755.8125 72104.00781 53878.35938 68895.85156 55195.71094 41845.79297 Nicotinamide 7441826 10077053 7043352.5 12346133 5905914.5 8597356 8777504 7754354 6231747.5 8472180 10709125 14906597 3043590.25 5470482 9890121 11923780 5285385.5 4476922.5 4497746.5 4272645.5 5747877.5 3606313 7583820 8706364 7859360 12079180 12058518 10926152 9106675 5719874.5 7627606.5 6902012 5027914.5 10620573 6990975 15101370 Thiourocanic acid 35828.92578 42706.19922 17170.89258 19560.41602 26248.0293 9414.982422 18187.85156 10312.73828 38859.80078 27226.40625 21123.82031 12104.18066 33576.03516 19833.51172 31474.66211 23880.89258 50869.24219 47427.05859 46394.08203 22000.28711 33871.20313 63016.72266 112685.3438 48052.97656 50809.41797 44568.78125 42960.05859 38687.00391 Succinyladenosine 177373.3281 259893.9219 228985.7656 256522.2344 127438.5234 143326.6094 120575.7969 123683.3281 165543.6563 176674.2188 183458.6875 257656.0781 63466.51172 121937.6328 207740.3594 221547.3594 141418.5 114508.8203 97623.78125 125987.3594 131354.4063 119574.8828 143265.1563 149010.8281 177027.3594 229332.2031 259221.6094 274269.3125 190422.3438 134872.3281 155579.7031 144888.9688 130675.0313 256226.375 185157.4844 191054.5781 psicoselysine 85674.34375 66277.48438 71802.20313 80780.35156 57782.98828 59221.46094 69924.71875 77954.6875 53852.61719 70484.1875 96189.60938 98688.82031 66026.21875 74794.25 100187.0938 137194.3594 77858.24219 70337.30469 77488.35938 87770.625 60200.91797 65743.53125 54734.70313 69908.625 118151.3125 97970.88281 97956.80469 122973.8828 115560.5391 97201.99219 114639.1094 112961.5859 63696.09375 60822.67188 62129.15234 71935.04688 Acetyl phosphate 56201.375 59615.20313 53036.95703 78174.97656 39894.93359 45232.66406 47666.26172 48285.07422 60063.85938 58863.98438 58365.08203 79620.35156 62990.73438 84906.44531 94405.52344 99461.42969 70692.23438 82414.35938 72933.0625 80156.24219 66651.89844 71416.57813 54759.24609 65023.01953 110054.5313 124126.1719 101152.2891 120226.6328 99313.55469 103543.9375 122167.4375 111582.4609 56581.76953 79366.28125 54552.37109 37369.16406 D-Sedoheptulose 7-phosphate 1157316.75 1205479.25 1145783.875 1174827.375 1011774 823588 970836.9375 987663.1875 776032.125 885063.3125 695332.125 824229 2268592.25 2945431.5 2934217.75 3115002 2292328 2398510.75 2487772.25 2375437.25 1859680.125 1909595.625 1565529.125 1976425.75 3234165 3312530.25 3303437.25 3110556.25 2533237.5 3017744 3077935.25 3214011 804373.125 1093989.875 779337.875 620097.1875 4-Amino-4-deoxychorismate 196693.5 215644.5313 253787.8125 254761.9063 111765.8438 117598.1484 137756.6563 134887.875 205992.2188 169749.9844 238163.5938 210941.2813 98532.10938 143719.2031 214423.4531 230111.2969 130027.9922 125595.8359 159036.0313 194708.2188 115647.1016 146674.5781 119869.0938 140754.8125 180146.2969 216954.8906 257342.4531 286178.6563 170782.5625 188307.6094 257329.9531 239823.4688 173033.1094 200036.3281 181364.6563 135264.8594 GDP-mannose 165771.7813 175327.1406 153734.5938 191464.3281 132845.5781 121938.0313 155983.0313 121704.7969 172249.25 164417.5625 175507.0313 210976.0781 96429.38281 83401.78906 187853.0313 167087.5 91863.75 95594.96094 123935.6875 135958.0469 120633.5781 126556.7656 108368.5703 89773.85156 153913.8281 195197.1406 192779.0156 265446.0938 324579.2188 131207.6094 194901.5625 193901.4688 141110.3125 156446.0938 143414.6875 105481.1875 (S)-1-Pyrroline-5-carboxylate 82127.49219 105271.6875 107324.0547 115242.8984 56119.65234 64815.52734 65566.82031 57947.38672 79661.01563 106321.625 93427.3125 126789.3828 42925.48828 47794.71094 107441.2422 129392.5703 49917.42969 54110.71094 61151.14453 62083.15625 64405.98828 69833.25781 56614.17969 62855.52734 73206.55469 115107.8125 118917.3047 159042.5781 149206.7969 79755.86719 87887.42188 105356.7891 84271.1875 107845.4766 70766.57031 74750.82031 L-Lysine 4491829.5 5492119 4304874.5 5580690.5 2666667.75 2777446.5 2760501 2903112.5 3544448.25 5076238 4277974.5 6770935 3277965.75 4292380 6566584.5 7265494 4210748.5 4311054.5 4342651 4623174.5 3635072 2973938.75 3416930 3550345 5783519 6088452.5 6136897 7249796.5 5690572 3987774.75 4928841 5102604.5 3198018.5 5013446.5 3220433.25 5108375.5 4-Hydroxy-4-methylglutamate 86174.6875 85802.57813 67191.20313 98945 49215.04297 54803.74219 52916.39063 58404.12109 78610.20313 76839.57031 88365.40625 79677.92188 58952.01953 61643.92188 91876.02344 103479.5703 64510.56641 72788.8125 62326.23047 75440.6875 61600.27734 62030.00781 53980.29297 62412.59766 90115.92969 97683.0625 124558.3438 138573.8594 82574.125 70908.85938 115456.5625 106722.7109 60395.48438 88351.53906 69974.92188 60456.45703 L-Tyrosine 34291520 34334128 31162054 38153652 19467148 19002366 20318214 20395628 32646298 36028956 36582788 40259804 16019380 21035284 33461644 32069618 20080566 21379136 22794360 28378150 23598262 20543754 21203614 20566716 35634452 39850172 42534928 44616732 27377658 29475942 37800452 35541948 24431016 37925288 23867388 32529614 2-Amino-9,10-epoxy-8-oxodecanoic acid 152940.2656 191866.9844 136075.1406 167414.2656 72574.47656 94759.74219 89891.0625 70885.17188 155209.8125 133552.6719 198491.8594 172840.3906 48146.66016 47134.99609 153942.4531 154569.0313 82571.05469 69007.38281 121880.0234 149833.2188 113533.9609 91984.92188 57171.41016 66234.92969 150999.3438 165983.0313 153939.75 155616.1094 95147.3125 144687.8906 144506.2344 159412.8281 134110.6563 155624.2969 143362.8281 138997.0781 ADP 3656064 3730809.25 3481274.5 4189513 2879844.5 2825820.75 2826820 2778935 3766499 3202133.5 3919972.5 4542065.5 2155377 2101725 3397556.75 3083586.25 2412080 2291134.75 2547851 2714432 2578303.75 2073515.875 2055878.875 2081013.75 3832386.5 3895469.75 4550530 5050402 9834534 2897503.75 5177879.5 4147525.75 3019011.5 3516281.75 3129844 2421692 N-Acetyl-D-glucosamine 1,6-bisphosphate 35170 38645 37632 50941 25241 24734 35486 27177 45338 41327 42104 56432 15821 14678 33236 34365 18244 15779 19945.32813 31823.40625 19668.97461 26982.33008 19694.61133 18779.16602 29281.4375 34273.67578 46923.58984 58151.72656 101764.9688 20852.01953 44913.93359 37933.05469 30753.9375 36701.01953 37385.08984 28497.25586 Corydaline 15690039 17696886 14061131 20058008 5608019 5998241 5842327 4930400.5 10485454 17266342 11152675 21111798 4808269 8850737 18818780 19728206 6763895 6898996.5 6440104.5 9172886 14487769 6425940.5 12186120 9582026 19323098 20821994 18980894 25840386 23805450 11643241 15066814 12528751 8388570 21479542 7701165 14734359 UDP-glucuronate 73645.71094 78845.65625 58761.05859 77962.96094 43177.07813 46688.71484 49187.64453 45745.81641 80215.64844 72151.76563 68556.21094 91863.16406 20245.10742 25683.67383 57819.45703 47460.38281 28021.22461 22513.14063 29006.16016 40937.45703 38846.72266 38250.33203 31830.03516 26029.9707 58814.78516 55696.83203 70306.67969 93930.75781 146045.4531 42529.03516 62519.64063 63233.73438 52755.71484 62008.85938 47380.3125 46493.68359 Succinate 213354.5469 221769.1563 209569.7813 200777.6875 211503.4844 213433.4063 208174.8906 182514.4063 243526.6719 196678.7188 230831.25 248993.1094 202383.9063 250386.5156 256370.6719 286162.1563 230291.9688 232620.0313 287650.5313 254440.1406 173181.0625 143335.8438 147311.5625 165095.0938 325478.7188 338727.4063 320970.5938 325700.5313 297727.2813 312419.75 332726.5313 354859.0625 214215.9688 215260.0781 230415.2969 203107.3906 Glu-Thr 410546.9688 513358.5625 459527.2813 476142.4375 447344.0313 316342.125 363123.0625 452153.8125 504233.375 446348 365146.1875 498169.9688 555075.5 641176.1875 803045.9375 751877.75 467646.3438 390544.8125 420200.7813 489604.3125 419445.7188 388004.5313 345133.875 326060.8125 772403.5 808791.6875 805383.6875 711184.5625 632538.625 702691.625 674096.75 667217.9375 457693.0938 494799.9688 379233.5 365585.7813 6-Phospho-D-gluconate 145872 149997 137471 191471 86404 103996 108667 107886 170591 158431 170504 212203 53834 51795 126450 143097 67565 51149 69772.25781 104722.4375 90868.39063 88371.39844 71023.0625 72485.36719 121148.4141 150726.0313 182453.3438 228007.1875 420374.5938 104549.5078 164605.75 144475.4688 107407.0781 150399.9375 120958.75 111775.6094 Sanguinarine 123176 145187 121625 150714 66346 73443 83210 92037 133378 88782 130403 121641 53712 70555 151473 134921 83087 62321 78401.45313 112180.5 59525.98438 70955.47656 58526.86328 90192.07031 127114.8516 146320.8125 134111.7344 183210.7813 71442.21094 112350.6484 132953.6875 131883.9063 58003.51953 112037.0859 85492.88281 94211.46875 ATP 1805600 1922924 1839026 2334350 1458086 1981824 1991321 1700697 2519867 2112744 2684915 3104766 1055453 919362 1731195 1580138 1100298 850099 1193206.875 1279695.625 1375462.125 1203624.5 1107570.75 1039784.25 1911242.875 2121615.5 2740232 3282608 12404909 1633126.625 3759549.75 2291263.5 1686394.375 1879040.625 1700466.625 1537839.125 L-beta-aspartyl-L-threonine 74164 62645 70557 73737 57053 49748 57273 64307 71544 63509 83563 77239 93068 96386 97172 126424 61248 49234 53814.39063 51006.67578 51039.58203 57522.07031 33679.38281 51972.89063 106504.4219 107476.5 90514.9375 111467.5625 108331.5 82243.375 110884.3594 113478.7813 68213.0625 73251.32031 77895.66406 59024.84766 N-Carbamoyl-L-aspartate 123095 131950 118291 128131 97677 109368 112661 97823 139479 103132 138375 139353 11750457 13607024 18526618 19455024 95745 90242 76313.96875 131228.0781 86993.79688 78463.4375 61653.0625 88207.96875 138895.8906 166806.2656 180643.2813 191916.3906 170663.7969 128263.3594 169710.9688 177916.9844 106706.7422 108093.9063 116032.5625 87800.07031 D-Fructose 1,6-bisphosphate 114193 132804 146153 174923 96553 110092 108155 90470 130931 151488 164194 203900 43221 45959 130120 78887 59427 54116 74134.73438 90220.98438 65830.10156 78392.67969 64760.98438 62087.38672 72696.64844 100741.5469 180698.0469 233821.8906 596096.125 86043.75 163819.875 133739.2031 90905.52344 121650.3672 126576.7969 103850.3203 alpha-D-Glucosamine 1-phosphate 106751 105640 99505 117781 110873 115170 100469 105230 129832 108040 113892 118867 69580 70807 87268 90683 78187 71632 64469.23047 64943.60156 43485.46484 39115.49609 29770.57031 47058.70703 86455.77344 99129.67969 92788.51563 108955.4609 72733.78906 99493.90625 84226.04688 98470.42969 107400.3906 100482.1016 128712.4922 93417.75 Orotate 172112 214121 181724 273696 184771 146936 160193 149306 180429 227444 191178 243186 42880 67359 77650 89953 147405 135742 144918.1406 170355.1719 87066.35156 73220.55469 86160.27344 109872.7734 175417.4219 221419.5469 202299.5469 268909.7813 193330.5625 145660.0469 198828.1406 166951.875 187924.7344 268008.1563 221928.9219 227691.6875 Urate 173689 176366 137077 158146 73243 55090 59192 56398 184460 100974 110252 126922 38431 41022 122228 104184 51963 47466 36161.04688 46112.76172 118641.3906 122003.8594 34872.74219 23507.79688 137894.5 153466.5156 159160.2813 301701 938084.3125 113338.3984 233512.0781 189867.2031 118469.7188 139268.2031 147155.1406 S-Sulfo-L-cysteine 30987 89534 34192 46590 16557 18232 19131 16993 15109 38951 94959 91778 23584 12305 38801 56479 13416 6278 12545.59668 14009.19238 18969.38477 10591.71094 26360.06445 16238.38379 34740.39063 46476.73438 40064.94531 62728.74609 48552.75 51808.23828 41815.98828 22913.42969 13863.07324 48639.76172 13959.20703 55550.73828 [PS(20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoserine 109948 125212 134524 128248 136983 163683 162035 159500 128136 125459 147824 141827 56259 57903 113648 98123 59689 80511 67149.35156 80872.23438 37023.4375 40582.96484 54784.73047 53534.24219 79332.84375 120189.0938 143281.3906 132230.2188 111135.0078 90373.39063 102451.1953 126618.0938 128116.3438 177919.3438 170091.9219 131679.6406 N-Succinyl-L-glutamate 75135 51180 43130 56230 55308 42481 46342 48719 67493 48182 56614 54424 33965 50759 61353 67135 72418 82207 75166.71875 76299.70313 63108.36328 49729.25781 43527.14844 51487.48047 122594.4375 128105.8906 149452.0938 142704.3906 116357.5781 109331.1328 139053.7344 151825.8594 44624.68359 49827.42188 50183.26172 45296.26563 Asp-Thr-Cys-Cys 73558 87368 89011 106130 68422 77430 81165 89013 90524 105828 113120 131172 74209 82147 160230 150906 62546 82094 88207.88281 111724.1172 56039.72656 47707.44531 58643.06641 76378.65625 125819.5547 140894.3125 186456.4688 179045.2656 184861.125 116382.9531 143194.0938 130198.2109 84520.05469 117104.4375 80090.35938 97012.5625 UMP 125065 145159 110631 99220 91498 92326 105526 87203 99564 101458 92508 126436 45373 50433 42741 55108 314037 330383 329285.5313 296487.0313 51219.81641 43671.95313 79534.03906 48268.71875 150657.9063 177636.2344 130304.75 155118.2813 153791.8906 135420.5469 141556.5469 156548.9219 85609.22656 108901.0469 90720.10156 99197.84375 4-Aminobutanoate 2164071 2404348 1921970 1912971 1812906 1802173 1696289 1760971 2356907 1869644 1908719 2330219 5673245 6724668 8195534 8309508 1078733 1187158 1183303.375 991237 894363.6875 895244.5625 805887.625 815221.8125 2563156.25 2317182.75 2372196.25 2336431.5 2047875.25 2231760.75 2363285 2644629 1877899.25 2042087.625 2272032.5 2218288.25 Ala-Leu-Trp-Arg 45709 40376 32495 56065 11708 4480 9640 9823 24687 45330 23294 60154 8831 15908 43256 45970 12673 9127 16686.24414 15867.34082 29837.8418 13716.68945 15840.62109 19251.14258 57872.92578 44691.71094 52781.89453 74685.78906 63425.01172 20036.08008 28851.90039 31093.71875 14901.6875 38221.99609 14061.70801 41008.01172 Thymine 44862 43043 35594 51061 33479 101029 50247 66811 45878 88359 61162 67994 31455 34584 67955 25260.55859 46408.6875 38869.11328 24194.04688 31026.2832 69890.53125 128068.875 38957.85938 66438.48438 116768.8125 34274.85156 70671.40625 83223.91406 73921.45313 101739.1094 89292.29688 54241.96094 Glu-Cys-Cys 108393 160343 96385 184374 32082 37435 147886 60817 203010 58004 186990 171661 28213 34308.83203 68087.6875 26294.6582 53974.23047 79304.07031 128860.0078 235686.5156 200422.5625 204906.0938 113349.5703 33931.65625 90097.84375 40880.10547 176944.3438 32746.80469 137283.0938 L-beta-aspartyl-L-glutamicacid 161555 233132 143869 169136 166581 176000 158235 181777 162205 169548 159144 192825 272412 372880 479362 486642 232015 198437 219672.4375 231819.5625 151672.625 135676.2813 109001.375 116421.6875 453978.4375 437297.7188 412689.75 470053.3438 325445.4688 370504.7188 377528.8438 395786.3438 180752.2813 207668.4688 166931.9688 158938.6406 (-)-Argemonine 32427 68189 50797 82684 87292 100340 29326 69147 70030 30093.77734 70321.74219 28576.16992 74802.5625 112729.7891 98776.42969 163566.3906 75247.94531 35601.33203 68600.28906 76977.41406 D-4'-Phosphopantothenate 87668 108795 69041 100281 69666 60581 62492 76422 81440 64727 78849 95701 111426 138189 164704 182873 163542 129583 124550.3203 151313.1563 60740.59375 59303.75391 61097.69922 57853.54688 203920.6563 200490.8906 188920.7188 253339.5625 178001.4063 158159.8906 191583.4531 187696.375 70917.25 71873.84375 72265.02344 75971.09375 PS(18:2(9Z,12Z)/0:0) 145628 134312 171265 151541 189642 193596 202075 176338 185591 149525 160154 156027 65190 62911 91993 69392 89950 87609 87806.08594 68257.86719 21720.53125 30209.67773 22302.55078 29977.02539 105938.8281 121774.8203 102487.2813 112088.8281 125831.3203 94823.70313 98937.96875 112722.4766 193185.3281 178433.0469 204829.4844 153498.9531 Asp-Cys-Cys-Ser 2940841 3816335 3356413 6262684 536774 914910 837745 987701 1493764 3868058 2495319 7900721 343629 802812 5572545 5829537 705978 520193 792457.6875 1778716.75 1203886.375 555488.125 1298940.625 1480765.75 2918362.5 5792045.5 6106671 8371667 7307274.5 1182358.5 2874635 2522094 714163.125 5491336 988665.5625 4148104.75 dihydrothymidine 114106 94279 80834 86644 125764 176855 187584 157877 88728 88717 104527 342752 417723 604860 521002 466954 665848 511486.6563 559841.75 84821.375 72945.55469 82758.65625 64145.37109 486606.0625 463612.8438 415779.0625 416776.8125 386931.4688 458752.375 386398.1563 519742.0313 168964.6094 95822.8125 69723.67188 56444.08984 1,2-Dihydroxy-5-(methylthio)pent-1-en-3-one 108341 128238 217980 134941 116598 69135 71457 99886 109331 119840 147504 124744 40093 131406 155186 170477 163202 194839 140748.25 149435.6094 59011.34766 72641.67969 63230.9375 73417.66406 334521.25 462996.5938 383874.9375 421973.8125 711941.9375 312592.625 364375.5 406342.6875 49369.91406 128913.5391 103077.4922 133370.9688 S-Methyl-5-thio-D-ribose 1-phosphate 70338 63779 71691 81849 37129 38523 56155 56271 77983 93680 83252 74699 47634 65102 114384 117254 96650 90683 113367.8828 195785.8438 47703.58203 58297.19922 33236.61719 39874.52344 274218.9688 313517.9063 317388.375 321100.5 260090.6875 287018.6875 331013 355320.0625 54801.72656 62277.12891 57250.62109 54548.00391 L-Pipecolate 2840245 3455768 3572819 3392957 2878599 3582904 3417847 3084044 3567799 3473130 3105574 3775205 14390175 19184740 21693002 21932230 6015344 6853473 7922564.5 7364318.5 1857547.875 1557819.625 1715502.25 1738651.75 14963239 18087852 16930552 17159402 13483483 14175053 14747081 15464353 3413201.5 4448959.5 3779427.5 3589421.75 Thr-Pro 30955 40545 44794 31030 32020 65573 29022 35321 46489 34495 40783 59620 309975 392900 335542 432799 295003 278809 293916.5938 240493.6406 35394.06641 41157.26563 30233.70508 25718.63672 357273.3438 343274.9375 319731 279403.7813 219547.2656 277020.3125 264745.25 289058.8438 48703.58594 68739.72656 37513.23438 57267.37891 Ala-Pro 25530 24859 28824 36335 36871 21862 31466 28440 28771 27180 23439 29040 366093 451992 425369 436772 537192 532722 472103.6875 449342.625 30289.06836 20486.9082 25194.92773 17300.70703 511736.5938 518430 472640.0313 516504.25 358873.3438 417698.2188 501566.1875 514375.5625 29873.4375 26617.35156 32228.14453 31241.62695 Aspartyl-L-proline 153235 158787 177801 155869 181448 155763 161386 156744 209789 153444 160417 213152 2317952 2784449 3033288 3520400 1061779 1265172 1084620.75 1241033 64856.28516 74747.63281 55698.57031 46629.3125 2353899.5 2487195.25 2328112.75 2328498.75 1791941.25 2340510.75 2442033.75 2466710.5 193507.3438 214346.8594 197092.7344 133496.4375 Asn-Gly-Pro-Pro 127281 165544 215572 217220 247935.6875 272847.0625 245690.5469 258607.9844 176976.2188 222034.375 236030.8281 225085.0156 Ala-Glu-Glu-His 180715 209460 323621 371804 21431 25004 35505.38281 69238.86719 416671.9063 458602.1875 463443.7188 468709.125 478325.0313 380242.8125 466383.625 453334.4688 Glu-Glu-Pro 63073 60938 94563 98075 66297 67102 80200.75 72179.25 133370.2656 128171.1094 137797.6875 117141.4844 123471.2109 101046.2891 115661.1797 128624.1719 Ala-Lys-Lys-Asp 154574 179854 242221 223583 317581.875 329349.1875 340117.7813 398770.0625 202335.375 292498.2188 331656.6875 349476.625 Lys-Pro 113740 164404 217613 212960 181214 129119 120686.0078 171859.875 157745.2813 121808.8125 140679.0938 139839.1719 128660.0156 133526.1875 168040.8125 167542.0469 Asn-Leu-Pro-Pro 114867 113720 158338 155228 173386.4063 235300.9688 188807.2656 209575.0469 106885.4531 178756 202956.9219 197815.9844 Ala-Gly-Ser 10770 14663 24801 87642 119854 90535.89844 77595.72656 28595.01953 29032.05078 20173.66016 18000.16992 12443.48145 30426.54688 15038.42285 36387.54688 [PS(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine 320881 341711 336273 352571 585503 570209 447242 514398 491660 234255 409471 357936 158444 180170 183084 170789.3281 163000.375 179008.2188 191209.3281 199341.8281 311926.8438 408316.0938 195877 285530.4063 240118.8125 461812.4063 393245.7188 594831.625 410684.3125 Glycylproline 16232 21508 20568 23298 297777 421047 382711.6563 343368.75 19211.82617 20788.11523 25193.08789 N-Acetylmethionine 104561 299201 207485 343135.1563 423723.0313 60297.09766 159169.6719 128129.1563 128430.6484 152549.2656 Thr-Thr-Ser 115305 93678 99310 103470 Ser-Ser-Ser 154121 181324 195490 196184 Pro-Ser 20924 25637 26575 18099 209191 255857 242004.3281 198961.1406 20299.31836 24205.9082 29438.00195 Ala-Gly-Pro 258377 255426 276590.3438 288776.7813 Thr-Ser 118997 122983 105229.1016 121138.7344 Ser-Ser 81068 89901 103130.8594 111023.6641 N2-Succinyl-L-arginine 108338 105441 120492.2109 102167.4922 metabolite_name Retention Time (mins) Mass Formula Metabolite identification Choline phosphate 14.98615692 183.0661207 C5H14NO4P Level 1 Nicotinate 7.815080029 123.0320152 C6H5NO2 Level 1 CMP 16.19968454 323.0522245 C9H14N3O8P Level 2 Hercynine 12.28139899 197.1165611 C9H15N3O2 Level 2 FA methyl(18:0) 3.900074582 298.2868297 C19H38O2 Level 2 PC(36:3) 4.550652811 783.5776068 C44H82NO8P Level 2 [SP (16:0)] N-(hexadecanoyl)-sphing-4-enine 3.920253288 537.5125835 C34H67NO3 Level 2 FA dimethyl(16:0) 3.917676833 284.2713938 C18H36O2 Level 2 Cer(d40:2) 3.895800706 619.5908072 C40H77NO3 Level 2 Linoelaidylcarnitine 4.636274404 423.3351406 C25H45NO4 Level 2 Clavulanic acid 7.81019204 199.0480946 C8H9NO5 Level 2 PE(30:4) 7.81605845 655.4210302 C35H62NO8P Level 2 Monomethyl sulfate 7.934658336 111.9829635 CH4O4S Level 2 PE(31:4) 7.911527841 669.4358618 C36H64NO8P Level 2 [SP (24:0)] N-(15Z-tetracosenoyl)-sphing-4-enine 3.917572708 647.6214076 C42H81NO3 Level 2 Heptadecanoylcarnitine 4.653018987 413.3506161 C24H47NO4 Level 2 Psychosine 4.689923239 461.33459 C24H47NO7 Level 2 [SP (24:0)] N-(tetracosanoyl)-sphing-4-enine-1-phosphocholine 4.314100821 814.6921693 C47H95N2O6P Level 2 Oleoylcarnitine 4.603732157 425.3507272 C25H47NO4 Level 2 [FA trimethyl(13:0)] 4,8,12-trimethyl-tridecanoic acid 3.966679268 256.2401759 C16H32O2 Level 2 D-Ribose 11.6257392 150.0529189 C5H10O5 Level 2 SM(d18:1/22:0) 4.277118084 786.6624896 C45H91N2O6P Level 2 2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate 12.67180107 191.0795176 C7H13NO5 Level 2 Ala-Met-Asp-Tyr 9.518605607 498.1786328 C21H30N4O8S Level 2 trans-Hexadec-2-enoylcarnitine 4.758780273 397.3194224 C23H43NO4 Level 2 N-stearoyl tyrosine 4.578582148 447.3352776 C27H45NO4 Level 2 Stearoylcarnitine 4.576022984 427.3665162 C25H49NO4 Level 2 PC(34:2) 4.087649522 757.5627962 C42H80NO8P Level 2 PI(34:0) 7.190010071 838.5576744 C43H83O13P Level 2 FA oxo(8:0) oxo-octanoic acid 4.796859735 158.0943004 C8H14O3 Level 2 PI(34:1) 7.161274877 836.5425384 C43H81O13P Level 2 PS(42:9) 7.198484544 857.519248 C48H76NO10P Level 2 4a-Hydroxytetrahydrobiopterin 14.09022724 257.1121669 C9H15N5O4 Level 2 (24R,24'R)-Fucosterol epoxide 3.962230536 428.3660277 C29H48O2 Level 2 alpha-N-Phenylacetyl-L-glutamine 7.803482872 264.1106801 C13H16N2O4 Level 2 Glycerone phosphate 15.14956525 169.998111 C3H7O6P Level 1 Met-Cys-Cys 17.78540148 355.0687694 C11H21N3O4S3 Level 2 Docosanoic acid 3.846007321 340.3335624 C22H44O2 Level 2 SM(d18:2/24:0) 4.210538014 812.6779928 C47H93N2O6P Level 2 Dodecanedioic acid 4.790011144 230.1516138 C12H22O4 Level 2 Dodecanoic acid 4.126821747 200.1776473 C12H24O2 Level 2 PI(32:0) 7.237434767 810.5252137 C41H79O13P Level 2 S-Adenosyl-L-methionine 16.2865686 398.137575 C15H22N6O5S Level 1 [SP (16:0)] N-(hexadecanoyl)-sphing-4-enine-1-phosphocholine 4.377601391 702.5679735 C39H79N2O6P Level 2 Asp-Lys-Lys-Tyr 28.79640652 552.2917105 C25H40N6O8 Level 2 SM(d34:2) 4.344078386 700.5524435 C39H77N2O6P Level 2 SM(d18:1/22:1(13Z)) 4.252901242 784.6472599 C45H89N2O6P Level 2 FA methyl(14:0) 4.003019916 242.2246284 C15H30O2 Level 2 2-Oxoglutaramate 10.30785575 145.0375857 C5H7NO4 Level 2 SM(d18:1/18:0) 4.319236206 730.5994331 C41H83N2O6P Level 2 6-Acetyl-D-glucose 14.08181833 222.0741209 C8H14O7 Level 2 5,8,13,13a-Tetrahydrocolumbamine 10.38666849 341.162035 C20H23NO4 Level 2 Fagomine 12.09026245 147.0895163 C6H13NO3 Level 2 PE(P-40:4) 3.933857749 779.5835827 C45H82NO7P Level 2 5-Hydroxytryptophan 10.78573613 220.0849857 C11H12N2O3 Level 2 3-Dehydrocarnitine 12.61735613 159.0896011 C7H13NO3 Level 2 O-Palmitoyl-R-carnitine 7.792784749 399.3351841 C23H45NO4 Level 2 N2-Acetyl-L-aminoadipate 12.23148266 203.0795367 C8H13NO5 Level 2 Indoleacrylicacid 8.774049557 187.0633098 C11H9NO2 Level 2 Capryloylglycine 11.81038962 201.1366497 C10H19NO3 Level 2 L-Citrulline 15.83169084 175.095753 C6H13N3O3 Level 1 N4-(Acetyl-beta-D-glucosaminyl)asparagine 15.8670784 335.1332808 C12H21N3O8 Level 2 SM(d18:1/14:0) 4.393703772 674.5367333 C37H75N2O6P Level 2 2,3,4,5-Tetrahydrodipicolinate 7.810128181 171.0531912 C7H9NO4 Level 2 3-beta-D-Galactosyl-sn-glycerol 13.69793213 254.1001642 C9H18O8 Level 2 [FA (18:1)] 9R,10S-epoxy-12Z-octadecenoic acid 4.036722763 296.2347279 C18H32O3 Level 2 Ile-Ala 12.75569416 202.1318854 C9H18N2O3 Level 2 PE(P-36:5) 6.503022523 721.5036431 C41H72NO7P Level 2 SM(d18:2/22:1) 4.230854937 782.6286226 C45H87N2O6P Level 2 Cys-Gly-Pro 10.52363618 275.0940543 C10H17N3O4S Level 2 N-dimethylethanolamine 16.55504757 89.08407765 C4H11NO Level 2 PE(P-34:1) 4.026542015 701.5366143 C39H76NO7P Level 2 5'-Methylthioadenosine 7.8306817 297.0895892 C11H15N5O3S Level 2 LysoPC(18:0) 4.658025808 523.3641591 C26H54NO7P Level 2 9-Oxononanoic acid 4.768295518 172.1099833 C9H16O3 Level 2 PC(32:0) 4.106277695 733.5624455 C40H80NO8P Level 2 PS(52:0) 3.667507988 1027.782031 C58H110NO11P Level 2 N6-Acetyl-N6-hydroxy-L-lysine 17.80276286 204.1111338 C8H16N2O4 Level 2 SM(d16:1/22:1) 4.263504935 756.6153306 C43H85N2O6P Level 2 LysoPC(O-18:2) 4.714113377 509.3850576 C26H56NO6P Level 2 2-phthalimidoglutarate 8.994700028 277.0583503 C13H11NO6 Level 2 N,N-Dihydroxy-L-tyrosine 12.54153803 213.0638965 C9H11NO5 Level 2 D-Glucono-1,5-lactone 11.79008702 178.0477753 C6H10O6 Level 2 Asn-Cys-Cys 14.48415374 338.0715125 C10H18N4O5S2 Level 2 O-Acetylcarnitine 11.02476607 203.1159186 C9H17NO4 Level 2 SM(d18:2/24:1) 4.237434993 810.662729 C47H91N2O6P Level 2 SM(d44:1) 7.655156286 842.7236398 C49H99N2O6P Level 2 Methacholine 13.31249818 159.1259913 C8H17NO2 Level 2 Amurensine 14.47062147 325.1309625 C19H19NO4 Level 2 N-Acetyl-L-leucine 11.75257886 173.1053019 C8H15NO3 Level 2 Muramic acid 14.36394731 251.1006486 C9H17NO7 Level 2 4-Trimethylammoniobutanoate 13.34127484 145.1102817 C7H15NO2 Level 1 N-acetyl -D- glucosaminitol 12.06348573 223.105717 C8H17NO6 Level 2 Procollagen 5-(D-galactosyloxy)-L-lysine 12.1238101 324.1533414 C12H24N2O8 Level 2 Guanidinoacetate 15.6656638 117.053872 C3H7N3O2 Level 2 PE(20:2(11Z,14Z)/P-18:1(11Z)) 6.425678698 753.5663233 C43H80NO7P Level 2 O-Butanoylcarnitine 8.86100573 231.147214 C11H21NO4 Level 2 Ectoine 12.89639008 142.0742117 C6H10N2O2 Level 2 Sedoheptulose 11.93174128 210.0742643 C7H14O7 Level 2 PE(O-38:5) 3.904493194 751.5522622 C43H78NO7P Level 2 SM(d38:1) 7.746122977 758.6302384 C43H87N2O6P Level 2 4-Aminobenzoate 11.72756054 137.0476767 C7H7NO2 Level 2 N-Acetyl-D-glucosaminate 12.15682873 237.0849176 C8H15NO7 Level 2 N-Ethylmaleimide 12.26823825 125.0478107 C6H7NO2 Level 2 O-Propanoylcarnitine 9.828427831 217.1315055 C10H19NO4 Level 2 Mannitol 13.96185021 182.0790579 C6H14O6 Level 1 PE(36:2) 3.975971591 743.5468781 C41H78NO8P Level 2 Gibberellin A20 15.19555468 332.1619387 C19H24O5 Level 2 PA(36:5) 3.772125122 694.4573671 C39H67O8P Level 2 Met-Ala-Gly 12.61784528 277.109783 C10H19N3O4S Level 2 PC(34:1) 4.093338047 759.5776619 C42H82NO8P Level 2 PA(34:2) 3.78409695 672.4727326 C37H69O8P Level 2 PA(34:1) 3.782581688 674.4878782 C37H71O8P Level 2 Asp-Gly-Arg 15.71866196 346.1601995 C12H22N6O6 Level 2 flaviolin 15.47172491 206.0217498 C10H6O5 Level 2 Slaframine 10.03852984 240.1471465 C12H20N2O3 Level 2 [FA (5:2)] 2,4-pentadienoic acid 13.92522866 98.03676433 C5H6O2 Level 2 4-Pyridoxolactone 13.88701481 165.042557 C8H7NO3 Level 2 [SP (26:0)] N-(17Z-hexacosenoyl)-sphing-4-enine-1-phosphocholine 7.669009319 840.7095433 C49H97N2O6P Level 2 N-Acetylornithine 13.44875748 174.1003625 C7H14N2O3 Level 2 Asp-Arg 16.43298619 289.1387715 C10H19N5O5 Level 2 PE(36:4) 3.97397338 739.5138297 C41H74NO8P Level 2 PE(P-36:4) 3.96998098 723.5204713 C41H74NO7P Level 2 PA(36:4) 3.757335441 696.4727572 C39H69O8P Level 2 Pyridoxine phosphate 13.69505236 249.0402863 C8H12NO6P Level 2 Creatinine 9.772310919 113.0588054 C4H7N3O Level 2 CTAB 8.591215056 283.3242621 C19H41N Level 2 PC(36:2) 4.038174173 785.5933721 C44H84NO8P Level 2 Stachydrine 12.81825893 143.0946509 C7H13NO2 Level 2 ancymidol 4.76708849 256.1211937 C15H16N2O2 Level 2 Phosphophosphinate 13.23345399 275.0322953 C6H15NO7P2 Level 2 PE(P-38:6) 3.899742012 747.5197164 C43H74NO7P Level 2 PE(P-38:5) 3.908841773 749.536121 C43H76NO7P Level 2 PE(34:4) 3.766756565 711.4850992 C39H70NO8P Level 2 sn-glycero-3-Phosphoethanolamine 15.55375494 215.0560259 C5H14NO6P Level 2 PE(P-40:5) 3.885598361 777.568141 C45H80NO7P Level 2 PS(40:8) 3.766090848 831.5055628 C46H74NO10P Level 2 Ethanolamine phosphate 15.87555539 141.0191463 C2H8NO4P Level 2 PC(30:0) 4.12687206 705.5304426 C38H76NO8P Level 2 (R)-2-Hydroxyglutarate 14.91599962 148.0371659 C5H8O5 Level 2 PE(32:0) 3.767713366 691.515017 C37H74NO8P Level 2 PE(36:0) 4.106515481 747.5784574 C41H82NO8P Level 2 PC(38:4) 3.996746937 809.5933119 C46H84NO8P Level 2 PE(34:3) 3.844621109 713.4993239 C39H72NO8P Level 2 8-Amino-7-oxononanoate 11.7807488 187.1209801 C9H17NO3 Level 2 Hydroxybutyrylcarnitine 11.40152929 247.1421646 C11H21NO5 Level 2 Ala-Ala-Ala-Ser 16.10230843 318.1541557 C12H22N4O6 Level 2 NG,NG-Dimethyl-L-arginine 20.96573014 202.1431222 C8H18N4O2 Level 2 1,6-diaminohexane 13.41822981 116.131325 C6H16N2 Level 2 L-beta-aspartyl-L-alanine 16.04245189 204.0745663 C7H12N2O5 Level 2 N6-Acetyl-L-lysine 12.07017078 188.1160916 C8H16N2O3 Level 2 Elaidiccarnitine 7.783669729 425.3504421 C25H47NO4 Level 2 Lys-Met-Phe 12.67778376 424.21494 C20H32N4O4S Level 2 PS(38:5) 3.760088957 809.5218144 C44H76NO10P Level 2 PE(32:1) 3.77020634 689.4997237 C37H72NO8P Level 2 L-isoleucyl-L-proline 12.98650164 228.1474926 C11H20N2O3 Level 2 CMP-N-trimethyl-2-aminoethylphosphonate 14.31055001 472.1128269 C14H26N4O10P2 Level 2 PC(40:6) 3.970962904 833.5943451 C48H84NO8P Level 2 Cytidine 11.8734042 243.0851975 C9H13N3O5 Level 1 Resazurin 15.47306882 229.0375883 C12H7NO4 Level 2 D-Gluconic acid 13.22754471 196.0582859 C6H12O7 Level 1 PS(38:4) 3.769735517 811.5373439 C44H78NO10P Level 2 Cholesterolsulfate 3.725329823 466.3110366 C27H46O4S Level 2 Cholesta-5,7-dien-3beta-ol 5.071643871 384.3394549 C27H44O Level 2 [ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene 6.397422031 368.3446056 C27H44 Level 2 3-(4-Hydroxyphenyl)lactate 8.678557934 182.0579574 C9H10O4 Level 2 PS(34:0) 3.759829347 763.5363652 C40H78NO10P Level 2 SM(d36:2) 7.746672789 728.5837804 C41H81N2O6P Level 2 LysoPE(20:4) 4.64329791 501.2854477 C25H44NO7P Level 2 Vicine 15.89384978 304.1022906 C10H16N4O7 Level 2 thiomethyl glutamate 14.55617614 193.0407738 C6H11NO4S Level 2 (S)-Malate 15.75892499 134.0215411 C4H6O5 Level 1 Taurine 14.72563545 125.0146192 C2H7NO3S Level 2 D-Arabinonate 12.64705268 166.0476871 C5H10O6 Level 2 Ala-Leu-Gly-Arg 11.20617233 415.2539254 C17H33N7O5 Level 2 Lys-Thr-Thr 15.30734816 348.2011803 C14H28N4O6 Level 2 L-Carnitine 13.23919273 161.1052069 C7H15NO3 Level 1 Otonecine 11.16680604 185.105224 C9H15NO3 Level 2 Thr-Trp-Cys 15.40775591 408.1473579 C18H24N4O5S Level 2 PI(38:4) 3.778751151 886.556144 C47H83O13P Level 2 3-Amino-2-piperidone 10.88140033 114.0793451 C5H10N2O Level 2 PS(42:10) 3.732780041 855.5063353 C48H74NO10P Level 2 PC(40:5) 3.984329342 835.6087414 C48H86NO8P Level 2 Ile-Lys-Pro 21.0307888 356.2426885 C17H32N4O4 Level 2 [FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid 12.40926484 145.0738952 C6H11NO3 Level 2 Ala-Leu-Thr-Ala 14.52596755 374.2165567 C16H30N4O6 Level 2 N6,N6,N6-Trimethyl-L-lysine 21.30486008 188.1525853 C9H20N2O2 Level 2 PI(40:6) 3.773235912 910.5571605 C49H83O13P Level 2 PE(38:6) 3.922003281 763.5149945 C43H74NO8P Level 2 N-(L-Arginino)succinate 16.67229276 290.1228781 C10H18N4O6 Level 2 PE(38:1) 4.07658004 773.593328 C43H84NO8P Level 2 Apiole 7.737535176 222.0892047 C12H14O4 Level 2 Orotidine 11.96203755 288.0593146 C10H12N2O8 Level 2 PC(36:1) 4.042195065 787.6077239 C44H86NO8P Level 2 N2-(D-1-Carboxyethyl)-L-lysine 17.07721828 218.1268075 C9H18N2O4 Level 2 5,6-Dihydrothymine 14.67669997 128.0585414 C5H8N2O2 Level 2 NAD+ 14.07574172 663.1093829 C21H27N7O14P2 Level 2 (R,R)-Tartaric acid 17.07934956 150.0164768 C4H6O6 Level 1 PS(38:6) 3.768062201 807.5060542 C44H74NO10P Level 2 Lys-Thr-Ser 15.39097866 334.1857595 C13H26N4O6 Level 2 Gln-Leu-Lys-Tyr 15.66763053 550.3113996 C26H42N6O7 Level 2 PC(36:4) 4.043390133 781.562606 C44H80NO8P Level 2 PS(40:5) 3.744791076 837.5514717 C46H80NO10P Level 2 Phthalate 14.13122989 166.0266159 C8H6O4 Level 2 PS(34:2) 3.79325751 759.5055238 C40H74NO10P Level 2 D-Glucosamine 16.30531847 179.0794861 C6H13NO5 Level 2 N-(eicosanoyl)-sphinganine-1-phospho-(1'-myo-inositol) 26.88408455 837.6092497 C44H88NO11P Level 2 L-Methionine S-oxide 13.27648969 165.0458611 C5H11NO3S Level 2 Sucrose 15.24055119 342.1157306 C12H22O11 Level 1 D-Ribose 5-phosphate 15.40051787 230.0191598 C5H11O8P Level 1 PS(40:4) 3.746799992 839.5662119 C46H82NO10P Level 2 PS(36:1) 3.77203545 789.5524039 C42H80NO10P Level 2 PS(42:7) 3.735643912 861.5512273 C48H80NO10P Level 2 Asp-Leu-Lys-Asp 14.00045145 489.2439242 C20H35N5O9 Level 2 PI(36:4) 3.798949991 858.5251763 C45H79O13P Level 2 PC(40:7) 3.992751402 831.578605 C48H82NO8P Level 2 D-Glycerate 11.56460122 106.0265168 C3H6O4 Level 2 PS(34:1) 3.780802362 761.5215895 C40H76NO10P Level 2 PS(36:4) 3.78854907 783.5046556 C42H74NO10P Level 2 IMP 15.2850721 348.0473227 C10H13N4O8P Level 1 LysoPC(O-16:1) 4.72220565 479.3380111 C24H50NO6P Level 2 N(pi)-Methyl-L-histidine 12.54261549 169.0849502 C7H11N3O2 Level 2 6,7-Dimethyl-8-(1-D-ribityl)lumazine 12.859354 326.1229395 C13H18N4O6 Level 2 PS(36:2) 3.766570891 787.5372059 C42H78NO10P Level 2 PI(38:5) 3.787707029 884.5412201 C47H81O13P Level 2 CMP-2-aminoethylphosphonate 15.17152671 430.0648082 C11H20N4O10P2 Level 2 LysoPE(20:0) 4.71478404 509.3484566 C25H52NO7P Level 2 Nicotinamide D-ribonucleotide 15.21556922 334.0569872 C11H15N2O8P Level 2 D-Mannonate 14.26056711 196.0583007 C6H12O7 Level 2 PC(32:1) 4.104763142 731.5461464 C40H78NO8P Level 2 Aloesin 13.95395002 394.1259059 C19H22O9 Level 2 N-(3-oxooctanoyl)-L-homoserine 11.48613247 259.142235 C12H21NO5 Level 2 LysoPE(18:1) 4.753461739 465.3222086 C23H48NO6P Level 2 D-Glucose 12.53804796 180.0634122 C6H12O6 Level 2 PC(38:6) 4.00546337 805.5630151 C46H80NO8P Level 2 [LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocholine 4.769339197 481.3533882 C24H52NO6P Level 2 Hippurate 7.856859458 179.0582105 C9H9NO3 Level 2 sn-glycero-3-Phosphocholine 14.43189285 257.1027617 C8H20NO6P Level 2 Creatine 14.5368388 131.0693869 C4H9N3O2 Level 1 Adenine 9.647125872 135.0544088 C5H5N5 Level 1 L-Homocitrulline 15.10217447 189.1115281 C7H15N3O3 Level 2 Asn-Glu-Ile-Pro 12.36173564 471.2335421 C20H33N5O8 Level 2 Glutathione disulfide 17.21111575 612.1522189 C20H32N6O12S2 Level 2 Pro-Arg-His 26.13714634 408.2237255 C17H28N8O4 Level 2 [SP] Sphinganine-1-phosphate 7.821592003 381.2641169 C18H40NO5P Level 2 N-Hydroxy-L-tyrosine 7.834389679 197.0689555 C9H11NO4 Level 2 PA(38:6) 3.748021594 720.4723742 C41H69O8P Level 2 Cys-Leu-Cys-Tyr 10.71959627 500.1761696 C21H32N4O6S2 Level 2 Ala-Asp-Ser 15.55209788 291.1068217 C10H17N3O7 Level 2 4-Pyridoxate 7.812785454 183.0531974 C8H9NO4 Level 2 FA (18:1) 7.785693911 282.2558137 C18H34O2 Level 2 Ethyl 3-oxobutanoate 4.794564819 130.0630108 C6H10O3 Level 2 Choline 19.39925817 103.0997218 C5H13NO Level 1 Asn-Pro 13.68573591 229.106373 C9H15N3O4 Level 2 sn-Glycerol 3-phosphate 14.8400144 172.0136799 C3H9O6P Level 1 L-Serine 15.66260247 105.0426183 C3H7NO3 Level 2 Cys-Gly 14.17771149 178.0410585 C5H10N2O3S Level 2 UDP 16.06560261 404.0025039 C9H14N2O12P2 Level 2 Erythronicacid 16.08496114 136.0372472 C4H8O5 Level 2 Hypaphorine 8.777970635 246.1369269 C14H18N2O2 Level 2 Phosphocreatine 15.00677866 211.0358772 C4H10N3O5P Level 2 D-myo-Inositol 1,2-cyclic phosphate 15.00620802 242.019418 C6H11O8P Level 2 5-Oxoproline 9.8967667 129.0425975 C5H7NO3 Level 1 L-beta-aspartyl-L-serine 15.51855161 220.0695097 C7H12N2O6 Level 2 Vinylacetylglycine 14.47672298 143.0581244 C6H9NO3 Level 2 Asp-Val-Pro-Ser 10.02898451 416.1905837 C17H28N4O8 Level 2 Nicotinate D-ribonucleoside 13.04482584 255.0744762 C11H13NO6 Level 2 2(alpha-D-Mannosyl)-D-glycerate 14.71665832 268.0793688 C9H16O9 Level 2 2-Hydroxyadenine 12.28627583 151.0494461 C5H5N5O Level 2 Morphinone 14.63718759 283.1206391 C17H17NO3 Level 2 Diethanolamine 18.18046143 105.0789932 C4H11NO2 Level 1 Arg-Phe-Phe-Arg 14.82562249 624.3491087 C30H44N10O5 Level 2 cis-Aconitate 17.44542477 174.0164431 C6H6O6 Level 2 Phosphoenolpyruvate 17.21903294 167.9823996 C3H5O6P Level 2 [PG (16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) 3.993641319 484.2795318 C22H45O9P Level 2 LysoPC(16:0) 4.747394623 495.332902 C24H50NO7P Level 2 4-Nitroaniline 7.81931669 138.0429519 C6H6N2O2 Level 2 Quinate 12.39158923 192.0634489 C7H12O6 Level 2 Lys-Val 21.80368317 245.1739979 C11H23N3O3 Level 2 Indole-3-acetamide 7.824255171 174.0793752 C10H10N2O Level 1 L-gamma-glutamyl-L-isoleucine 10.86604139 260.1372902 C11H20N2O5 Level 2 Camptothecin 12.99285327 348.1108271 C20H16N2O4 Level 2 L-Proline 12.72803454 115.0633217 C5H9NO2 Level 1 N6-Methyl-L-lysine 21.97188036 160.1209903 C7H16N2O2 Level 2 3-propylphosphoenolpyruvate 21.74391067 210.0294771 C6H11O6P Level 2 N-Acetyl-D-glucosamine 6-phosphate 14.6788401 301.0562306 C8H16NO9P Level 2 vanillylamine 7.803614038 153.0789728 C8H11NO2 Level 2 O-Acetylneuraminic acid 14.69694065 309.1061681 C11H19NO9 Level 2 Inosine 10.8901115 268.0810103 C10H12N4O5 Level 2 L-Asparagine 15.17849635 132.0534795 C4H8N2O3 Level 1 2-Hydroxyethanesulfonate 7.73518988 125.9986739 C2H6O4S Level 2 D-Fructose 16.95432316 180.0634742 C6H12O6 Level 1 Pantothenate 8.523668298 219.1108048 C9H17NO5 Level 1 Norlichexanthone 14.76873562 258.0524465 C14H10O5 Level 2 N-Acetyl-L-aspartate 14.33165772 175.0480896 C6H9NO5 Level 2 3-Methyleneoxindole 7.67959034 145.0527472 C9H7NO Level 2 PS(36:0) 3.704887806 791.5666388 C42H82NO10P Level 2 2-Amino-2-deoxy-D-gluconate 16.9484212 195.0744521 C6H13NO6 Level 2 Hypoxanthine 10.16775048 136.0384951 C5H4N4O Level 1 [PE(16:0/18:1)] 1-hexadecanoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine 6.427420209 717.5303559 C39H76NO8P Level 2 Cys-Phe-Gly-Gly 10.73705356 382.1312582 C16H22N4O5S Level 2 LysoPC(18:1) 4.679903774 521.3484257 C26H52NO7P Level 2 Arg-Asp-Asp-Gly 17.78433326 461.1867895 C16H27N7O9 Level 2 [PG (18:1)] 1-(9E-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol) 3.956764787 510.2952108 C24H47O9P Level 2 Ala-Ser 21.7384506 176.0796533 C6H12N2O4 Level 2 2-Deoxy-2,3-dehydro-N-acetylneuraminic acid 12.91774014 291.0953108 C11H17NO8 Level 2 1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol 3.712448597 602.5263197 C39H70O4 Level 2 Glu-Met-Ser 11.79344624 365.1257773 C13H23N3O7S Level 2 Methyl 2-diazoacetamidohexonate 14.12588493 213.111346 C9H15N3O3 Level 2 PS(36:3) 3.761718077 785.521268 C42H76NO10P Level 2 Ne,Ne dimethyllysine 20.91909865 174.1368377 C8H18N2O2 Level 2 Kievitone hydrate 10.17624863 374.1365325 C20H22O7 Level 2 N-Carbamyl-L-glutamate 15.26433968 190.0590633 C6H10N2O5 Level 2 L-Methionine 11.48433612 149.0510637 C5H11NO2S Level 1 2-Quinolinecarboxylic acid 7.802019963 173.0477099 C10H7NO2 Level 2 Cassyfiline 14.5544049 341.126031 C19H19NO5 Level 2 (S)-2-Aceto-2-hydroxybutanoate 12.78272704 146.0579351 C6H10O4 Level 2 gamma-Glutamyl-Se-methylselenocysteine 16.05582605 312.0223748 C9H16N2O5Se Level 2 LysoPE(18:0) 4.766580759 481.3171247 C23H48NO7P Level 2 gamma-L-Glutamyl-L-cysteine 13.9799965 250.0624359 C8H14N2O5S Level 2 Asn-Val-Asn-Asn 9.196591101 459.2075605 C17H29N7O8 Level 2 2,3-Dimethylmaleate 14.6707996 144.0423104 C6H8O4 Level 2 LysoPC(20:4) 4.654565752 543.3325002 C28H50NO7P Level 2 N-Acetyl-L-citrulline 12.88246904 217.106209 C8H15N3O4 Level 2 L-Leucine 11.24354251 131.0946007 C6H13NO2 Level 1 3-nitro-2-pentanol 8.624348537 133.0737999 C5H11NO3 Level 2 octulose 8-phosphate 16.12810678 320.0506054 C8H17O11P Level 2 melibionate 15.04477632 358.1107304 C12H22O12 Level 2 L-Ornithine 21.79184337 132.089868 C5H12N2O2 Level 1 AMP 13.64967399 347.0632864 C10H14N5O7P Level 1 O-Acetyl-L-homoserine 11.05721669 161.0688362 C6H11NO4 Level 2 Gyromitrin 14.82908803 100.0636935 C4H8N2O Level 2 L-Glutamate 14.48989821 147.0531601 C5H9NO4 Level 1 L-Alanine 14.63466789 89.04771276 C3H7NO2 Level 2 nonulose 9-phosphate 16.6214641 350.0611858 C9H19O12P Level 2 UDP-glucose 16.06297276 566.0543134 C15H24N2O17P2 Level 1 PG(36:2) 3.660268062 774.5407117 C42H79O10P Level 2 Glutathione 14.04822726 307.0833578 C10H17N3O6S Level 2 D-Glucose 6-phosphate 16.6574462 260.0296677 C6H13O9P Level 1 deacetylcolchicine 14.97104954 357.1572188 C20H23NO5 Level 2 L-beta-aspartyl-L-asparticacid 17.12153759 248.0645088 C8H12N2O7 Level 2 L-Glutamine 14.95872933 146.0690718 C5H10N2O3 Level 1 L-Glutamate 5-semialdehyde 14.34594483 131.0583017 C5H9NO3 Level 2 D-Fructose 6-phosphate 16.14395567 260.0298806 C6H13O9P Level 1 D-Galactonate 13.91846077 196.0583175 C6H12O7 Level 2 5-Guanidino-2-oxopentanoate 14.07771712 173.080114 C6H11N3O3 Level 2 N2-(D-1-Carboxyethyl)-L-arginine 14.09665396 246.132894 C9H18N4O4 Level 2 Decanoyl-CoA 14.16573178 921.2500413 C31H54N7O17P3S Level 2 Met-Met-Met 14.02729081 411.131334 C15H29N3O4S3 Level 2 D-Mannitol 1-phosphate 15.01468199 262.0452726 C6H15O9P Level 2 PS(18:0) 4.29413147 525.3059048 C24H48NO9P Level 2 S-(2-Hydroxyethyl)glutathione 12.86558003 351.1102638 C12H21N3O7S 3.Level 2 Trp-Ala-Cys 13.87625158 378.1366236 C17H22N4O4S Level 2 L-Cystine 16.11219839 240.0239759 C6H12N2O4S2 Level 1 Cholate 4.788841054 408.2868306 C24H40O5 Level 2 UDP-N-acetyl-D-galactosamine 14.88238991 607.0809053 C17H27N3O17P2 Level 2 Lys-Ser 16.4759406 233.1375524 C9H19N3O4 Level 2 Anthocyanin 3'-O-beta-D-glucoside 13.56301874 384.1215433 C21H20O7 Level 2 L-Isoleucine 10.90178001 131.0946042 C6H13NO2 Level 1 N-Acetylputrescine 18.38928863 130.1106274 C6H14N2O Level 2 (Z)-4-Hydroxyphenylacetaldehyde-oxime 8.00844368 151.0633219 C8H9NO2 Level 2 Orthophosphate 12.69026711 97.97686262 H3O4P Level 2 Glycerophosphoglycerol 12.49621893 246.0504276 C6H15O8P Level 2 Glu-Ala-Ser 14.59720872 305.1220816 C11H19N3O7 Level 2 D-Galacturonate 14.32104487 194.0426501 C6H10O7 Level 2 Thiamin 19.79554463 264.1046751 C12H16N4OS Level 2 L-Aspartate 14.82317868 133.0375056 C4H7NO4 Level 1 2-Oxoglutarate 15.25614166 146.0216 C5H6O5 Level 2 Hydantoin-5-propionate 15.23335537 172.0484281 C6H8N2O4 Level 2 GDP-3,6-dideoxy-D-galactose 12.54395543 573.087839 C16H25N5O14P2 Level 2 L-beta-aspartyl-L-leucine 12.29707868 246.1215182 C10H18N2O5 Level 2 [PG (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) 3.92879461 512.3104814 C24H49O9P Level 2 FA methyl(15:0) tridecanedioic acid 4.199541656 258.183055 C14H26O4 Level 2 gamma-L-Glutamyl-L-cysteinyl-beta-alanine 12.74039741 321.0991655 C11H19N3O6S Level 2 Ile-Cys-Phe 8.765727864 381.1723639 C18H27N3O4S Level 2 L-Histidine 14.71829474 155.0694933 C6H9N3O2 Level 1 LysoPE(18:2) 4.70154295 477.2847507 C23H44NO7P Level 2 Aspartylysine 16.39673804 261.1327505 C10H19N3O5 Level 2 Asn-Asp 15.56624303 247.080633 C8H13N3O6 Level 2 PS(15:0) 7.818601409 483.2606669 C21H42NO9P Level 2 Ergothioneine 14.71772071 229.0886199 C9H15N3O2S Level 2 L-Tryptophan 11.5632162 204.0900361 C11H12N2O2 Level 2 L-Phenylalanine 10.17702255 165.0790201 C9H11NO2 Level 2 L-Valine 12.38265454 117.0789743 C5H11NO2 Level 1 Arg-Lys-Pro-His 28.62477851 536.3182404 C23H40N10O5 Level 2 D-Erythrose 4-phosphate 12.57625161 200.008464 C4H9O7P Level 2 Pyridoxal 8.135862968 167.0581996 C8H9NO3 Level 1 Citrate 17.76929051 192.0270654 C6H8O7 Level 1 2,3,5-Trihydroxytoluene 12.71357784 140.0473479 C7H8O3 Level 2 betaine aldehyde hydrate 13.23189333 119.0946118 C5H13NO2 Level 2 Trp-Trp-Ser 10.0176415 477.2006456 C25H27N5O5 Level 2 S-Adenosyl-L-homocysteine 13.5654681 384.1220215 C14H20N6O5S Level 1 NADP+ 16.54652674 743.0760217 C21H28N7O17P3 Level 2 Sulfoacetaldehyde 10.8148129 123.9829935 C2H4O4S Level 2 3-Phospho-D-glycerate 16.64571168 185.9929721 C3H7O7P Level 1 4-Hydroxyphenylacetylglycine 7.802410344 209.0687791 C10H11NO4 Level 2 Convicine 17.94408208 305.0859644 C10H15N3O8 Level 2 L-Arginine 23.40400616 174.1116909 C6H14N4O2 Level 1 L-Threonine 14.35114076 119.0582507 C4H9NO3 Level 2 (S)-Dihydroorotate 10.80513895 158.0327063 C5H6N2O4 Level 1 PG(34:1) 3.675469498 748.5249639 C40H77O10P Level 2 beta-Citryl-L-glutamic acid 19.51395774 321.0697116 C11H15NO10 Level 2 2-C-Methyl-D-erythritol 4-phosphate 14.67367839 216.0400902 C5H13O7P Level 2 GDP-L-fucose 17.25927694 589.0819389 C16H25N5O15P2 Level 2 Nicotinamide 7.841374176 122.0479772 C6H6N2O Level 1 Thiourocanic acid 14.70685283 170.0149061 C6H6N2O2S Level 2 Succinyladenosine 14.28621666 383.1082391 C14H17N5O8 Level 2 psicoselysine 20.82734971 308.1583955 C12H24N2O7 Level 2 Acetyl phosphate 16.18054724 139.9874561 C2H5O5P Level 2 D-Sedoheptulose 7-phosphate 16.06167942 290.0402314 C7H15O10P Level 2 4-Amino-4-deoxychorismate 12.90473308 225.0637364 C10H11NO5 Level 2 GDP-mannose 17.88939676 605.0769545 C16H25N5O16P2 Level 1 (S)-1-Pyrroline-5-carboxylate 14.84401281 113.0476785 C5H7NO2 Level 2 L-Lysine 22.48876216 146.1055106 C6H14N2O2 Level 1 4-Hydroxy-4-methylglutamate 12.81802715 177.0637515 C6H11NO5 Level 2 L-Tyrosine 12.88258497 181.073983 C9H11NO3 Level 1 2-Amino-9,10-epoxy-8-oxodecanoic acid 12.7240425 215.115727 C10H17NO4 Level 2 ADP 14.9140772 427.028835 C10H15N5O10P2 Level 1 N-Acetyl-D-glucosamine 1,6-bisphosphate 16.65974464 381.0219689 C8H17NO12P2 Level 2 Corydaline 10.74861412 369.1935839 C22H27NO4 Level 2 UDP-glucuronate 18.59798819 580.0336016 C15H22N2O18P2 Level 2 Succinate 14.90010694 118.0266185 C4H6O4 Level 2 Glu-Thr 14.60079271 248.1008756 C9H16N2O6 Level 2 6-Phospho-D-gluconate 17.316507 276.0247141 C6H13O10P Level 1 Sanguinarine 12.79972801 331.0839438 C20H13NO4 Level 2 ATP 16.15837627 506.9949203 C10H16N5O13P3 Level 1 L-beta-aspartyl-L-threonine 15.53294013 234.085272 C8H14N2O6 Level 2 N-Carbamoyl-L-aspartate 16.41315452 176.0430741 C5H8N2O5 Level 2 D-Fructose 1,6-bisphosphate 17.70770903 339.9961164 C6H14O12P2 Level 2 alpha-D-Glucosamine 1-phosphate 15.20367933 259.0456389 C6H14NO8P Level 2 Orotate 9.837953981 156.0171477 C5H4N2O4 Level 1 Urate 12.32256718 168.0283426 C5H4N4O3 Level 1 S-Sulfo-L-cysteine 16.45932091 200.9766006 C3H7NO5S2 Level 2 [PS(20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoserine 4.287778143 545.2746748 C26H44NO9P Level 2 N-Succinyl-L-glutamate 13.82285434 247.0689541 C9H13NO7 Level 2 Asp-Thr-Cys-Cys 16.54990773 440.1037006 C14H24N4O8S2 Level 2 UMP 14.97695497 324.0354669 C9H13N2O9P Level 1 4-Aminobutanoate 15.34482603 103.0633508 C4H9NO2 Level 1 Ala-Leu-Trp-Arg 23.36263843 544.3132473 C26H40N8O5 Level 2 Thymine 7.825950232 126.0429033 C5H6N2O2 Level 1 Glu-Cys-Cys 11.12550396 353.0716076 C11H19N3O6S2 Level 2 L-beta-aspartyl-L-glutamicacid 14.02396037 262.0801015 C9H14N2O7 Level 2 (-)-Argemonine 12.42084607 355.1778144 C21H25NO4 Level 2 D-4'-Phosphopantothenate 14.93095421 299.0766047 C9H18NO8P Level 2 PS(18:2(9Z,12Z)/0:0) 4.351431711 521.2745229 C24H44NO9P Level 2 Asp-Cys-Cys-Ser 16.82657171 426.088202 C13H22N4O8S2 Level 2 dihydrothymidine 14.92830004 244.1059006 C10H16N2O5 Level 2 1,2-Dihydroxy-5-(methylthio)pent-1-en-3-one 7.917710096 162.0350206 C6H10O3S Level 2 S-Methyl-5-thio-D-ribose 1-phosphate 12.72545592 260.0118321 C6H13O7PS Level 2 L-Pipecolate 12.35014517 129.0789892 C6H11NO2 Level 1 Thr-Pro 11.37934046 216.1108491 C9H16N2O4 Level 2 Ala-Pro 11.32346325 186.1006061 C8H14N2O3 Level 2 Aspartyl-L-proline 15.2586538 230.0904663 C9H14N2O5 Level 2 Asn-Gly-Pro-Pro 10.92762413 383.1804657 C16H25N5O6 Level 2 Ala-Glu-Glu-His 15.27313045 484.1924693 C19H28N6O9 Level 2 Glu-Glu-Pro 16.63878338 373.1488583 C15H23N3O8 Level 2 Ala-Lys-Lys-Asp 14.18628684 460.2646125 C19H36N6O7 Level 2 Lys-Pro 15.17246384 243.1583776 C11H21N3O3 Level 2 Asn-Leu-Pro-Pro 10.82361996 439.2433955 C20H33N5O6 Level 2 Ala-Gly-Ser 12.60291301 233.101189 C8H15N3O5 Level 2 [PS(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine 4.31446178 523.2917002 C24H46NO9P Level 2 Glycylproline 12.38836948 172.0848842 C7H12N2O3 Level 2 N-Acetylmethionine 7.809380472 191.0616312 C7H13NO3S Level 2 Thr-Thr-Ser 16.41751528 307.1384014 C11H21N3O7 Level 2 Ser-Ser-Ser 16.40925297 279.1070384 C9H17N3O7 Level 2 Pro-Ser 12.75553037 202.0955136 C8H14N2O4 Level 2 Ala-Gly-Pro 12.42465007 243.1221379 C10H17N3O4 Level 2 Thr-Ser 11.8842334 206.0903796 C7H14N2O5 Level 2 Ser-Ser 13.07125422 192.0747819 C6H12N2O5 Level 2 N2-Succinyl-L-arginine 12.81089579 274.1280909 C10H18N4O5 Level 2