Numbering for matrix Numbering for unique peaks IIS_I_A_or_U I_A_M_or_P final annotation RI Win fData::lineno fData::query fData::known fData::cas fData::preferred fData::action haustorium_02_Po haustorium_04_Po haustorium_05_Po haustorium_06_Po root_02_Polar_1 root_04_Polar_1 root_05_Polar_1 root_06_Polar_1 kana02_ID001 kana02_cmb_ID001 U 978.9 364.42 Win001_C01 2 FALSE 0 0 864987537.27932 910446085.950152 1040594547.91921 819934869.046656 440052435.693913 594861668.637108 403762726.32677 434756498.903287 kana02_ID002 kana02_cmb_ID002 U 982.1 366.55 Win001_C02 3 FALSE 0 0 45050981.303347 49727327.6252169 38317266.3230512 37381865.3412937 23372424.2516834 28562675.8479342 29672581.0962563 30825725.6743032 kana02_ID003 kana02_cmb_ID003 U 982.7 366.98 Win001_C03 4 FALSE 0 0 422823.516416098 781423.206502896 3963169.90372983 1101418.59220096 31262274.5610057 7179831.0464023 3311901.58834564 7345221.7181823 kana02_ID004 kana02_cmb_ID004 U 983.8 367.67 Win001_C04 5 FALSE 0 0 77664029.0658544 415460.735178184 40191.2485722428 5921506.85996061 5208.6867972019 44180789.6160153 8114548.10383701 74668.770549252 kana02_ID005 kana02_cmb_ID005 A2 Tris(trimethylsilyl)borate 983.9 367.81 Win001_C05 6 Tris(trimethylsilyl)borate TRUE 0 0 1787349530.18185 1256440246.74573 976740518.973396 1158327435.86846 563762191.123829 2118832639.63563 1196854300.46371 868748488.694809 kana02_ID006 kana02_cmb_ID006 U 985.9 369.13 Win001_C06 7 FALSE 0 0 19966926.5367851 10832273.4446696 16289756.6760867 20683253.1887844 19448322.6082898 44763457.0953181 22775757.4873052 14900979.0776671 kana02_ID007 kana02_cmb_ID007 U 989.4 371.46 Win001_C07 8 FALSE 0 0 31709165.053165 28114025.5937074 23320656.2157259 31183533.2786349 29286556.8765483 26653306.3444954 36681951.9448777 31937550.1761536 kana02_ID008 kana02_cmb_ID008 U 990.6 372.29 Win001_C08 9 FALSE 0 0 1134008008.55651 1206327870.60161 1115131954.66553 1003099337.37532 924410842.443502 1186843327.09485 1019574104.66724 1063379753.55153 kana02_ID009 kana02_cmb_ID009 U 993 373.85 Win001_C09 10 FALSE 0 0 54016172.7609148 1677282.02827705 360352.828268922 4166398.38411677 26579.7602598999 167789057.26204 6578076.84715312 308813.899076945 kana02_ID010 kana02_cmb_ID010 U 993 373.92 Win001_C10 11 FALSE 0 0 687089219.979303 424911595.366479 530289987.659908 591724936.15724 417652417.697079 1251795887.84073 576484426.710797 408757848.909825 kana02_ID011 kana02_cmb_ID011 U 994.2 374.68 Win001_C11 12 FALSE 0 0 16825806.7625042 38429528.5708127 99507153.1904817 21549444.4519693 49312519.0948857 40697147.7367443 11848075.5341631 28357026.6065542 kana02_ID012 kana02_cmb_ID012 U 1004 381.25 Win001_C12 13 FALSE 0 0 229068615.503239 251603851.027248 264894180.401425 221934208.197631 232045066.019749 256068799.266274 214236482.754698 234585954.479765 kana02_ID013 kana02_cmb_ID013 U 1012.9 387.26 Win001_C13 14 FALSE 0 0 1743452201.56138 1885834313.42956 2106777359.63489 1868523678.75825 2396766479.71131 2085417704.96752 1995377103.92753 2171390762.21827 kana02_ID014 kana02_cmb_ID014 A2 "Silane, trimethyl[(1-methylhexyl)oxy]-" 1019.6 391.78 Win002_C01 15 "Silane, trimethyl[(1-methylhexyl)oxy]-" TRUE 0 0 575610904.675882 587522680.176004 670477790.573386 601074502.916044 526469833.930201 532818286.420617 460072759.18951 479972545.760523 kana02_ID015 kana02_cmb_ID015 U 1025.7 395.89 Win002_C02 16 FALSE 0 0 148808721.438164 184286644.943115 252659366.013261 189796129.881434 211987345.966368 123988883.215869 122396981.978779 154038237.424952 kana02_ID016 kana02_cmb_ID016 U 1028.5 397.75 Win002_C03 17 FALSE 0 0 3673298.4576425 4443359.60436947 4467913.98733867 3738086.01562249 3094432.27128041 2572107.78840837 2642397.97379398 3095687.79635873 kana02_ID017 kana02_cmb_ID017 U 1037 403.53 Win002_C04 18 FALSE 0 0 1866712695.06358 1661024494.71124 1554677077.193 1864525242.18915 1987357389.73131 1996140063.29066 2265844917.76716 2027913501.88109 kana02_ID018 kana02_cmb_ID018 U 1037.9 404.06 Win002_C05 19 FALSE 0 0 409574120.187909 432468764.125132 515521634.523108 603969065.606344 955918794.412768 330737255.848447 611061100.39081 648367408.740477 kana02_ID019 kana02_cmb_ID019 U 1044 408.21 Win002_C06 20 FALSE 0 0 275641488.875018 228497513.57808 231462007.006488 289501439.167149 279629761.233288 277713748.368953 307143493.472829 262752124.754665 kana02_ID020 kana02_cmb_ID020 U 1047.4 410.54 Win002_C07 21 FALSE 0 0 10633503.8653574 6650121.62559945 8672989.98797442 15889530.7219912 58992866.2563509 31814825.4480021 51893076.5738968 36280568.6741872 kana02_ID021 kana02_cmb_ID021 U 1050.6 412.73 Win002_C08 22 FALSE 0 0 108594289.105245 85591294.184355 70075085.8117138 113102634.07508 65871896.5829053 53390555.290024 86988871.6918983 68256844.3093688 kana02_ID022 kana02_cmb_ID022 U 1052.9 414.15 Win002_C09 23 FALSE 0 0 20723008.4347259 4591419.82335085 1377654.45725501 13660461.5197341 2643435.1115863 6529478.05989195 24455152.9419235 5555054.79274471 kana02_ID024 kana02_cmb_ID024 I "Lactic acid, DL- (2TMS)" 0 417.27 Win003_C02 25 X_24 "Lactic acid, DL- (2TMS)" TRUE 10326-41-7|598-82-3|50-21-5|17596-96-2|79-33-4 lactic acid COR_NG:HI 0 2556558444.32613 1291241540.77772 331718198.727974 779720518.47567 1427602677.18781 817969561.842866 2174635031.47272 kana02_ID025 kana02_cmb_ID025 U 1058.2 417.84 Win003_C03 26 FALSE 0 0 136452085.297559 124310459.450257 113286771.349541 146153543.858273 158801113.628824 121329804.598346 171840385.969977 155310002.772374 kana02_ID026 kana02_cmb_ID026 U 1061.5 419.96 Win003_C04 27 FALSE 0 0 6599404.43958793 3830612.07977641 4109308.74080202 7655354.61144856 12211954.4727163 12229235.628032 15615647.0250429 9995697.67666426 kana02_ID027 kana02_cmb_ID027 U 1069.4 425.28 Win003_C05 28 FALSE 0 0 118918.31235337 500409.083620805 7824.91847188169 3373.8870247193 4984.16385318113 876997.152787436 385788.461970717 654008.319606075 kana02_ID028 kana02_cmb_ID028 U 1071.4 426.7 Win003_C06 29 FALSE 0 0 13535456.9564436 20379508.7863106 16887614.3055248 14396365.8279876 62078307.6685259 30092041.7368039 49534037.0455313 66650631.6495566 kana02_ID029 kana02_cmb_ID029 I Glycolic acid (2TMS) 1072.6 427.5 Win003_C07 30 Glycolic acid (2TMS) TRUE 33581-77-0|996-23-6|79-14-1 glycolic acid 11251375.4432992 44743032.893056 10154226.7644049 1038863.6665867 246651.337970306 29369195.4979435 1406506.06003674 3731282.84083655 kana02_ID030 kana02_cmb_ID030 U 1073.1 427.77 Win003_C08 31 FALSE 0 0 943215616.459982 495841863.759796 213721856.814629 522984220.510991 84963498.1779117 309678507.952865 0 188583210.258493 kana02_ID031 kana02_cmb_ID031 U 1074 428.43 Win003_C09 32 FALSE 0 0 766875439.538695 616993123.595971 775119347.739241 884352593.537517 1313308638.87545 1293159407.94313 1192946376.575 1036016938.31942 kana02_ID032 kana02_cmb_ID032 U 1079.3 432.02 Win003_C10 33 FALSE 0 0 59246428.6589343 39994870.3648198 42896981.2646227 62074573.1654791 41559153.6437304 51729753.6132787 51285432.9748531 37442351.804374 kana02_ID033 kana02_cmb_ID033 U 1080.8 432.95 Win003_C11 34 FALSE 0 0 43562676.1518434 33536466.1974479 30045686.9057094 42455802.1687709 43514149.7129178 49638327.1128621 57912889.1926298 45596979.1349494 kana02_ID034 kana02_cmb_ID034 U 1081.7 433.64 Win003_C12 35 FALSE 0 0 81491171.9172011 37614006.3922282 9257510.09263429 65094368.8573022 101669592.125965 62819956.3873966 538523437.417347 213476435.785128 kana02_ID035 kana02_cmb_ID035 U 1083.8 434.97 Win003_C13 36 FALSE 0 0 4347122791.16344 3437608137.64859 5810912182.87142 5236300493.36661 4393957852.95252 5521380660.41514 3216778540.65517 2924324617.1996 kana02_ID036 kana02_cmb_ID036 U 1084.8 435.7 Win003_C14 37 FALSE 0 0 375510.643633205 459861.351304417 15265704.3986073 5028894.29549233 3591658.06798073 61616.1196318619 0 93071.6330299163 kana02_ID037 kana02_cmb_ID037 U 1087.5 437.46 Win003_C15 38 FALSE 0 0 53724502.163977 56552322.4716382 75901110.4248272 38460747.7134133 44530573.9972888 180553609.330053 45354528.5699255 51372761.3888695 kana02_ID038 kana02_cmb_ID038 U 1089.1 438.59 Win003_C16 39 FALSE 0 0 71934839.3843192 59157366.1301337 65724547.7582482 69240172.0721926 51102794.2481737 75721307.6526098 56715584.4650489 49401933.0911069 kana02_ID039 kana02_cmb_ID039 U 1092.5 440.91 Win003_C17 40 FALSE 0 0 17195393.1173493 22033569.0501944 23431625.6807668 22263385.6073755 32503439.1546986 12874577.6600971 21395666.6109524 26230764.7433308 kana02_ID040 kana02_cmb_ID040 U 1095.7 442.97 Win003_C18 41 FALSE 0 0 12651350.79175 9719459.61548665 13339775.5677403 15748470.337172 14916456.4421591 13276968.0413964 12489553.5155515 10586900.6216928 kana02_ID041 kana02_cmb_ID041 U 1098.3 444.83 Win004_C01 42 FALSE 0 0 360299263.198671 338717822.675218 491754378.436296 271020733.642254 108125015.85007 447524849.873098 109568254.755001 114527323.437821 kana02_ID042 kana02_cmb_ID042 I Alanine (2TMS) 1098.5 444.9 Win004_C02 43 Alanine (2TMS) TRUE 2899-44-7|302-72-7|6898-94-8|56-41-7|27844-07-1|338-69-2 l-alanine 377929850.429875 328692405.490862 222104689.078023 674396992.657506 963327357.516491 102351864.303732 896445831.570377 710021535.259067 kana02_ID043 kana02_cmb_ID043 U 1101.6 446.89 Win004_C03 44 FALSE 0 0 6602071824.78364 4799400259.10492 6260376987.57567 7565726742.4346 7776543410.1573 8803269677.47442 7464274734.00014 6007981273.10262 kana02_ID044 kana02_cmb_ID044 U 1102.9 447.65 Win004_C04 45 FALSE 0 0 24967403.1353557 12809860.7922955 7203921.49037106 32757037.0405687 44684074.0861023 14708988.1688711 87435965.8057278 43752672.4806914 kana02_ID045 kana02_cmb_ID045 U 1105.1 449.11 Win004_C05 46 FALSE 0 0 5609972.84461702 10615246.5880251 66821462.1761379 0 176246279.128935 7426110.75041395 10074394.3040819 23002185.8371803 kana02_ID046 kana02_cmb_ID046 I Hydroxylamine (3TMS) 1112.3 453.6 Win004_C06 47 Hydroxylamine (3TMS) TRUE 7803-49-8|5470-11-1|21023-20-1 hydroxylamine 7614794964.53905 7548701639.51678 9069532178.90818 9727961434.19721 13379243166.4869 7737686210.48545 9928650345.5881 10098664167.2767 kana02_ID047 kana02_cmb_ID047 A2 Oxalic acid (2TMS) 1125.1 461.6 Win004_C07 48 Oxalic acid (2TMS) TRUE 144-62-7|18294-04-7|6153-56-6 oxalic acid 2643391.74900792 200385.774709789 153383.023908851 8609911.032146 72561987.2620473 7506374.63087968 242005633.930013 24985499.4090345 kana02_ID048 kana02_cmb_ID048 A2 "Disiloxane, 1,3-bis(1,1-dimethylethyl)-1,1,3,3-tetramethyl-" 1128.9 463.99 Win004_C08 49 "Disiloxane, 1,3-bis(1,1-dimethylethyl)-1,1,3,3-tetramethyl-" TRUE 0 0 1305336637.49319 1169321499.56683 1432235585.92707 1505579487.5529 1678231611.02584 1481907923.15763 1431207211.82964 1351762691.62107 kana02_ID049 kana02_cmb_ID049 U 1129.1 464.09 Win004_C09 50 FALSE 0 0 109964888.414826 145879870.794637 28667069.7473753 21786983.6194524 4075202.42496341 77235902.6888419 32548400.5267683 32141597.6118171 kana02_ID050 kana02_cmb_ID050 U 1131.5 465.61 Win004_C10 51 FALSE 0 0 715711.873195649 1617438.66036869 5072287.35351865 1344401.94150365 35849854.6411211 11128483.8437086 5741011.53875831 13863559.9886521 kana02_ID051 kana02_cmb_ID051 U 1132.9 466.51 Win004_C11 52 FALSE 0 0 4247639.03419256 3412810.0967177 5672460.40739519 9455526.11434864 63910008.3343339 10908954.5219535 29503998.3280737 26113133.0270791 kana02_ID052 kana02_cmb_ID052 I Dihydrouracil_2TMS 1135.6 468.17 Win005_C01 53 Dihydrouracil_2TMS TRUE 504-07-4 5,6-dihydrouracil 13416061316.5633 8604353214.8016 12118961977.7342 12094295984.5165 7966443370.67795 23381189048.2815 9549087736.2428 7139934086.96689 kana02_ID053 kana02_cmb_ID053 U 1156.1 480.99 Win005_C02 54 FALSE 0 0 52460737.0447626 18855816.586131 47202573.6325085 89801071.1419214 203612579.645368 238488669.934515 158640112.391849 79675759.8220331 kana02_ID054 kana02_cmb_ID054 A2 M000000_A123002-101_CONT_1228.8_EIQTMS_ 1160.8 483.87 Win005_C03 55 M000000_A123002-101_CONT_1228.8_EIQTMS_ TRUE 0 0 154133179.886531 107194803.388513 193539437.113115 226262004.2419 454924500.531118 361433336.552582 302414055.94888 247621714.659587 kana02_ID055 kana02_cmb_ID055 U 1172.3 491.14 Win005_C04 56 FALSE 0 0 12719229051.001 15263967897.5338 22433683360.5835 12576395887.2601 11641487017.6908 17143902428.9294 7953691016.68128 10046318294.9728 kana02_ID056 kana02_cmb_ID056 U 1172.9 491.51 Win005_C05 57 FALSE 0 0 62894437.3745986 283226460.364748 239641336.134624 37251585.1115597 336206714.649549 497518230.704319 182087852.408523 633384580.81084 kana02_ID057 kana02_cmb_ID057 U 1183.2 497.88 Win006_C01 58 FALSE 0 0 12041165.9818478 21913615.6422153 16285133.2613896 12490152.396093 8124079.38320674 3252492.4400961 6166571.83610619 9506764.72115183 kana02_ID058 kana02_cmb_ID058 U 1183.8 498.25 Win006_C02 59 FALSE 0 0 2214309.06855439 535907.332954907 15929411.5757077 12781893.5560707 51992998.8859445 36457891.2895404 4265805.97257349 2419454.74264978 kana02_ID059 kana02_cmb_ID059 U 1184.8 498.91 Win006_C03 60 FALSE 0 0 19384742.0412254 22729770.4370918 20964634.6226538 19491665.8912492 26387635.1346359 20919135.4346922 24631835.967232 27631741.8251041 kana02_ID060 kana02_cmb_ID060 U 1187.8 500.84 Win006_C04 61 FALSE 0 0 11635978.6055042 6921967.47328328 2183983.92890152 7024827.98980809 20629190.9790654 35511561.6666789 94784689.09974 49712258.3557763 kana02_ID061 kana02_cmb_ID061 U 1189.4 501.84 Win006_C05 62 FALSE 0 0 144992205.849731 186853672.514597 85369096.6296365 178087603.117195 64059261.2396827 10407463.3429937 76285564.0735328 78864023.4783386 kana02_ID062 kana02_cmb_ID062 U 1192.1 503.5 Win006_C06 63 FALSE 0 0 7328637.55972295 11405059.9241155 9641390.41386399 4334507.56908713 5936427.25211808 18819548.906647 7082724.54743457 10185476.6461167 kana02_ID063 kana02_cmb_ID063 I 1196 505.62 Win006_C07 64 TRUE 0 0 1347446415.52273 899144641.868811 887640043.315409 2298597960.79093 16517905526.2959 3932346703.6155 15068133248.0219 10401340329.7068 kana02_ID065 kana02_cmb_ID064 U 1196.6 506.25 Win006_C09 65 FALSE 0 0 1913671653.93777 2287186080.3105 2241419326.50809 1589448542.73173 1235236978.77926 1920049224.16946 1260519740.38235 1471780672.53257 kana02_ID066 kana02_cmb_ID065 U 1198.4 507.38 Win006_C10 66 FALSE 0 0 12673480.8169333 12417663.4688968 4260077.15852377 10446617.6630235 24954509.157536 12339037.9343905 59328008.6513946 47073483.4894618 kana02_ID067 kana02_cmb_ID066 U 1199 507.84 Win006_C11 67 FALSE 0 0 166943.390612584 385027.684239853 1007368.55764856 117946.065338393 5357104.10849213 29803753.7374214 1982417.80641199 4965978.89324466 kana02_ID068 kana02_cmb_ID067 U 1208.5 513.36 Win007_C01 68 FALSE 0 0 9914559.05841349 313.037528585219 3901849.29695846 1707416664.88395 16149409.8274231 244360806.861196 1469723.24134248 1439.88761670096 kana02_ID069 kana02_cmb_ID068 I "Valine, DL- (2TMS)" 1208.9 513.62 Win007_C02 69 "Valine, DL- (2TMS)" TRUE 640-68-6|15984-93-7|7364-44-5|7480-78-6|516-06-3|72-18-4 l-valine 4181705811.91411 7185657655.59758 5240501294.82658 2437291880.48442 3929957047.87292 10114807321.4866 4855507020.21128 7355728194.81198 kana02_ID070 kana02_cmb_ID069 U 1210.3 514.42 Win007_C03 70 FALSE 0 0 699448.176973509 1327299.48069075 67667.1916544216 62509.1064436699 146466.33188046 5080256.28158782 3969447.48472769 4161844.38679907 kana02_ID071 kana02_cmb_ID070 U 1214.7 517.01 Win007_C04 71 FALSE 0 0 60152133.9752465 55067956.0872301 72794181.6110426 72897600.0464373 171905538.288712 140349916.896805 132184474.574429 128807209.839463 kana02_ID072 kana02_cmb_ID071 U 1223.6 522.19 Win008_C01 72 FALSE 0 0 21129366.4589976 19947715.7608831 22386251.3791622 19138686.0679111 23766378.8281523 39247324.6967092 24755165.5489635 24322945.7627819 kana02_ID073 kana02_cmb_ID072 U 1224.7 522.75 Win008_C02 73 FALSE 0 0 98613189.9312557 71990637.0097927 76908319.1454207 113780353.573243 97607172.9536423 83985971.5728921 106005722.856152 82055919.1311576 kana02_ID074 kana02_cmb_ID073 U 1225.7 523.38 Win008_C03 74 FALSE 0 0 10693433.6161293 7268868.90761262 18479775.728272 6084640.9082477 564709.22685542 14484485.0940987 619937.769966512 566347.556199449 kana02_ID075 kana02_cmb_ID074 M2 PR_MST_N-containing_1226.2 1226.2 523.65 Win008_C04 75 PR_MST_N-containing_1226.2 TRUE 0 0 2612426913.41185 2257685459.85893 2286678308.38011 2562284003.53208 3088933137.713 3705874500.7844 3463180610.51298 3079368826.14692 kana02_ID076 kana02_cmb_ID075 U 1226.4 523.78 Win008_C05 76 FALSE 0 0 83132906.0248121 3309931.12124908 45875280.1386941 389789162.985279 76452600.276545 145705555.111341 46261390.5024663 5044543.6744903 kana02_ID077 kana02_cmb_ID076 U 1228.5 525.01 Win008_C06 77 FALSE 0 0 582719588.426449 484756139.616515 558656947.082013 689308690.950181 976119282.066501 776732245.43791 898325878.007294 786453097.153264 kana02_ID078 kana02_cmb_ID077 A2 "Butanoic acid, 4-[(trimethylsilyl)oxy]-, trimethylsilyl ester" 1228.8 525.17 Win008_C07 78 "Butanoic acid, 4-[(trimethylsilyl)oxy]-, trimethylsilyl ester" TRUE 0 0 12135710.7713267 42895097.4881328 6025207.04313296 13987612.9339562 54158320.8372708 1201973.35375398 69701543.5056039 130433290.901502 kana02_ID079 kana02_cmb_ID078 U 1230 525.87 Win008_C08 79 FALSE 0 0 22555537.2392938 27002458.2395889 16193694.569582 19068518.4067165 14164132.6783125 11250594.4482622 19699206.0528299 20741950.8597332 kana02_ID080 kana02_cmb_ID079 U 1233.1 527.73 Win008_C09 80 FALSE 0 0 21064055.29168 16908731.7164753 23000429.6047003 26152700.4876921 89340371.195173 76846912.2933872 72978448.1281926 64048644.8264448 kana02_ID081 kana02_cmb_ID080 U 1240.6 532.11 Win009_C01 81 FALSE 0 0 299457945.188775 326474510.819993 263584043.895931 170828248.87387 52654815.0808003 228075066.030704 86637621.9338392 91987460.8909517 kana02_ID082 kana02_cmb_ID081 U 1243.6 533.77 Win009_C02 82 FALSE 0 0 159654374.860028 193955169.023819 179634554.162345 141470340.273235 129762670.586391 151051484.367126 129363455.541055 150712104.079946 kana02_ID083 kana02_cmb_ID082 U 1245.1 534.7 Win009_C03 83 FALSE 0 0 137613573.888775 153370324.306433 136846278.536754 143686713.333392 185680326.188952 129814585.408218 178836003.489315 190555991.063004 kana02_ID084 kana02_cmb_ID083 U 1246.5 535.5 Win009_C04 84 FALSE 0 0 55661958.3870805 142893826.460875 80998044.3888818 46841298.7327926 66831990.9837148 29124593.594699 54972386.6770465 107864691.255649 kana02_ID086 kana02_cmb_ID085 U 1258 542.17 Win009_C06 86 FALSE 0 0 6083079.89506084 4766152.0897622 5150252.72300743 7804320.03846438 25935209.4052214 15330269.3249985 24498544.1788027 20033472.8339878 kana02_ID087 kana02_cmb_ID086 I Ethanolamine (3TMS) 1259.9 543.3 Win010_C01 87 Ethanolamine (3TMS) TRUE 141-43-5|5630-81-9 ethanolamine 450926917.386204 684634410.293055 253266611.830998 598750346.041119 731676401.303184 63308402.2566857 836554057.86234 943503932.650023 kana02_ID088 kana02_cmb_ID087 U 1261.1 544 Win010_C02 88 FALSE 0 0 1704280400.91075 347142342.258978 1729815012.22689 1483610283.52278 537565401.724971 19399788976.6916 672757250.178178 253690655.343971 kana02_ID089 kana02_cmb_ID088 A2 Phosphoric acid (3TMS) 0 544.56 Win010_C03 89 X_90 Phosphoric acid (3TMS) TRUE 14265-44-2|10497-05-9|7664-38-2 1096:phosphoric acid NA_NG:DROPPED 214232129779.012 139825873947.481 201724587495.388 159555172678.442 155525279309.451 855426330762.911 209001253824.028 161185949695.883 kana02_ID091 kana02_cmb_ID090 I Glycerol (3TMS) 1264.2 545.83 Win010_C05 91 Glycerol (3TMS) TRUE 6787-10-6|56-81-5 glycerol 2782479779.89729 1997979269.38399 2682871290.72989 2924205803.7344 7848289481.73908 12257594146.2705 7958225500.39583 6412121148.6541 kana02_ID092 kana02_cmb_ID091 I "Leucine, DL- (2TMS)" 1264.5 546.02 Win010_C06 92 "Leucine, DL- (2TMS)" TRUE 15984-97-1|61-90-5|7364-46-7|7005-03-0|328-38-1|328-39-2 l-leucine 2607502068.85671 3335884038.50569 3098880836.18894 1510015457.4965 1969283426.41934 8641524598.20426 2593821023.49943 3237313708.69779 kana02_ID093 kana02_cmb_ID092 U 1266.1 546.92 Win010_C07 93 FALSE 0 0 789446363.565382 144629617.889448 510874468.683714 964894128.893375 242584869.977039 2075350029.59273 319565989.488082 100565591.272122 kana02_ID094 kana02_cmb_ID093 U 1274.3 551.67 Win010_C08 94 FALSE 0 0 2886924.055406 2350210.98468026 5224709.27392965 5961564.20758432 58213750.6279465 17999537.3502269 23238458.1903181 22209055.1571495 kana02_ID095 kana02_cmb_ID094 U 1277.2 553.36 Win011_C01 95 FALSE 0 0 14025842.8465965 47083225.3979971 15779623.1190732 7195888.02027614 3720864.76817757 3379408.89567108 5142200.71706252 11621604.3880792 kana02_ID096 kana02_cmb_ID095 I Isoleucine (2TMS) 0 557.98 Win011_C02 96 X_515 Isoleucine (2TMS) TRUE 206184-16-9|7483-92-3|7004-09-3|73-32-5|15985-01-0|319-78-8|443-79-8|1509-35-9|1509-34-8 d-isoleucine COR_OK:HDA 320892661.984456 538205558.411427 404030031.566036 175897582.537616 246256592.440792 813571509.658269 318226507.808604 477103051.135102 kana02_ID103 kana02_cmb_ID098 U 1293.9 563.06 Win012_C05 99 FALSE 0 0 2335735099.14323 1342480838.24023 1828598627.40916 3996092811.09743 1856983632.78324 728513754.153587 1526850907.91954 996275310.160354 kana02_ID104 kana02_cmb_ID099 I Glycine (3TMS) 1300.1 566.71 Win012_C06 100 Glycine (3TMS) TRUE 56-40-6|5630-82-0|7364-42-3 glycine 429800736.241476 330987616.735222 283681759.823753 410209282.193167 372519436.991269 429770275.809918 518441585.990478 404999087.112923 kana02_ID108 kana02_cmb_ID102 U 1307.2 570.59 Win013_C01 103 FALSE 0 0 398191.87114694 565944.448471527 490297.235912892 133878.32153266 12081.7770802239 256469.765632622 23169.1126633161 32117.8126376167 kana02_ID109 kana02_cmb_ID103 U 1308.5 571.32 Win013_C02 104 FALSE 0 0 2773760.91861815 2739638.66042279 2281900.33835972 2870197.36708708 3375864.1438415 2429702.56125195 3746637.72073489 3560647.11138548 kana02_ID110 kana02_cmb_ID104 U 1313.5 573.95 Win013_C03 105 FALSE 0 0 339932.917402878 310065.857886334 141780.705583602 217002.273608519 112469.331162418 189780.416371098 282537.582385288 227870.882528556 kana02_ID111 kana02_cmb_ID105 A2 "Glyceric acid, DL- (3TMS)" 0 577.3 Win014_C01 106 X_512 "Glyceric acid, DL- (3TMS)" TRUE 473-81-4|67525-74-0|118916-26-0|38191-87-6|14028-62-7|7525-74-0|600-19-1|6000-40-4 glyceric acid COR_NG:HI 79935173.8365724 169527108.671179 64018839.6955794 36826079.8267604 50985749.0548337 105253381.665868 99247247.2755238 158044626.53178 kana02_ID113 kana02_cmb_ID106 U 1322.6 579.03 Win014_C03 107 FALSE 0 0 1025819.43616513 1630506.66684932 1209820.10042099 894713.818592519 1372199.015174 1051295.32643071 1312773.96939961 1826550.35672104 kana02_ID114 kana02_cmb_ID107 U 1324.8 580.19 Win014_C04 108 FALSE 0 0 3242721.13177579 5002369.15015854 6018762.41129961 3340965.23260836 5230847.5075128 4396491.50936532 3282395.53315853 4885086.74293046 kana02_ID115 kana02_cmb_ID108 U 1326.5 581.12 Win014_C05 109 FALSE 0 0 245869427.496891 205640462.822474 216582658.298271 281446526.554175 363943957.836022 286336835.832249 362853239.459645 313692645.841305 kana02_ID116 kana02_cmb_ID109 U 1327.7 581.75 Win014_C06 110 FALSE 0 0 5666139.32737438 3430832.43698005 11620547.6602246 9846001.54596318 0 22562970.1461564 8615218.85689845 7108651.76397927 kana02_ID117 kana02_cmb_ID110 U 1331.8 584.01 Win015_C01 111 FALSE 0 0 184311.215559506 182556.19350698 3601.00456988428 8981.10455393105 19547.5759111957 2290074.67325089 2530288.04623251 1310911.76452669 kana02_ID118 kana02_cmb_ID111 U 1332.3 584.34 Win015_C02 112 FALSE 0 0 791828006.995904 578070791.736615 140551221.180996 292479659.225079 100436612.617221 519037605.723106 680517400.40215 412327906.189316 kana02_ID119 kana02_cmb_ID112 U 1333.2 584.77 Win015_C03 113 FALSE 0 0 17489020.177554 1190209.30646269 19567297.0047366 34953037.9180424 71532179.4307547 1759096033.31361 49244295.7218443 9143253.38089751 kana02_ID120 kana02_cmb_ID113 U 1334 585.17 Win015_C04 114 FALSE 0 0 17806374.2800468 169543259.900118 99080387.4276353 22272943.7050161 257534062.80108 12878986.429835 58338198.0952634 334534203.178234 kana02_ID121 kana02_cmb_ID114 U 1334.2 585.33 Win015_C05 115 FALSE 0 0 5474240.78355725 19469504.9339983 6065741.93283566 3356462.35487059 15044967.4826624 6769418.29947384 18288289.2757719 42253540.5755879 kana02_ID122 kana02_cmb_ID115 U 1334.9 585.73 Win015_C06 116 FALSE 0 0 6373372.20663548 3337893.68502049 4696559.93157826 22153629.1504636 78632057.7307603 3557948.0120714 39849620.2723864 23235617.28421 kana02_ID123 kana02_cmb_ID116 U 1335.3 585.86 Win015_C07 117 FALSE 0 0 4247020.52027426 47642300.9954982 109533788.498686 1267125.9256368 6155156.44249863 148323688.685193 1464388.96649237 13991137.4427503 kana02_ID124 kana02_cmb_ID117 U 1336.9 586.76 Win015_C08 118 FALSE 0 0 37842644.7000606 39729903.6352931 41033688.8746522 50714119.7385986 82161624.6174666 32398011.122216 62288903.2848598 64179618.794279 kana02_ID125 kana02_cmb_ID118 U 1339.8 588.42 Win015_C09 119 FALSE 0 0 2333648.51664691 3105664.40541944 6220335.12390628 8455941.62032894 47879586.5449892 1515407.89466615 9328517.97698516 12691260.8240702 kana02_ID126 kana02_cmb_ID119 I Fumaric acid (2TMS) 1342.4 589.78 Win015_C10 120 Fumaric acid (2TMS) TRUE 7704-73-6|17962-03-7|110-17-8 fumaric acid 938821679.385417 788570977.241577 1111847400.06252 976947515.2639 2230660862.72255 3417024508.1019 1964212863.27587 1822670330.28617 kana02_ID127 kana02_cmb_ID120 U 1342.6 589.85 Win015_C11 121 FALSE 0 0 26456166.2523473 363262431.045744 34321940.5271848 15124573.7738845 0 327464.43671773 7004925.63923539 38826638.8156981 kana02_ID128 kana02_cmb_ID121 U 1346.6 592.11 Win015_C12 122 FALSE 0 0 2102211.33348747 2519360.58592876 1903291.74927992 2099103.11714999 3244387.66997185 2017905.08043538 3417218.79639067 3744053.34699637 kana02_ID129 kana02_cmb_ID122 I "Serine, DL- (3TMS)" 0 594.4 Win016_C01 123 X_85 "Serine, DL- (3TMS)" TRUE 64625-17-8|7364-48-9|312-84-5|70125-39-2|56-45-1|302-84-1 l-serine TMS:HI 3726463021.68969 3914865484.80956 3037201806.03257 3782508109.05467 6492616836.68544 4351607999.58238 7318547624.96088 7220513217.12446 kana02_ID131 kana02_cmb_ID123 U 1352.7 595.36 Win016_C03 124 FALSE 0 0 7567499.65911628 18787718.9438046 5348697.67971348 5925083.25967338 9103920.4677273 2164460.8086787 12765479.6662599 21154396.7492698 kana02_ID132 kana02_cmb_ID124 U 1358.7 598.71 Win016_C04 125 FALSE 0 0 518988.648035685 377441.441740545 892773.126030711 1546433.03948617 2214465.0020194 248249.716894832 700829.671794362 604592.466383784 kana02_ID133 kana02_cmb_ID125 U 1361.3 600.07 Win016_C05 126 FALSE 0 0 189927.022068588 165805.253570359 115252.825500912 210640.153316804 317477.891405605 159482.951612012 413048.592482112 339588.795074028 kana02_ID134 kana02_cmb_ID126 I "Alanine, 3-cyano-, L- (2TMS)" 1363.7 601.4 Win017_C01 127 "Alanine, 3-cyano-, L- (2TMS)" TRUE 923-01-3|6232-19-5 3-cyano-l-alanine 418702251.868949 515099367.076121 262591880.463268 256891845.590253 129355080.794657 229272196.559555 249574268.475954 264728766.68724 kana02_ID135 kana02_cmb_ID127 U 1363.9 601.53 Win017_C02 128 FALSE 0 0 4382893.38890945 102367225.963583 75261967.7200492 2320917.75248289 37494460.9395908 20566103.7781282 7146595.13085093 95434222.166545 kana02_ID136 kana02_cmb_ID128 U 1364.4 601.77 Win017_C03 129 FALSE 0 0 202396796.34315 94930153.5339424 0 0 569450175.068489 191949128.903421 383599211.437885 0 kana02_ID137 kana02_cmb_ID129 I "Threonine, DL- (3TMS)" 0 608.31 Win017_C04 130 X_97 "Threonine, DL- (3TMS)" TRUE 64569-35-3|7536-82-5|80-68-2|72-19-5|24830-94-2|632-20-2|144-98-9|28954-12-3|7537-02-2 l-threonine TMS:HI 2497089015.02724 2680662731.39219 2020773512.71939 1814466250.99784 1549109120.30214 2872274056.83635 2250075279.36725 2291502832.2994 kana02_ID138 kana02_cmb_ID130 U 1377.2 608.81 Win017_C05 131 FALSE 0 0 329713800.537291 362115547.397431 431033153.199263 278008526.966005 225508124.216056 452407094.376135 213093667.286465 241423504.430861 kana02_ID139 kana02_cmb_ID131 U 1384.6 612.79 Win018_C01 132 FALSE 0 0 196112.992538268 750980.831136644 1718020.3021543 533660.459425842 5371206.25083508 235854.800857501 542499.778130684 1858618.40015382 kana02_ID140 kana02_cmb_ID132 U 1391.7 616.71 Win018_C02 133 FALSE 0 0 273808.054377561 577217.946757825 1149100.08925873 379677.436278986 1154483.21588328 563412.792922148 329885.219059993 695504.390785856 kana02_ID141 kana02_cmb_ID133 U 1395.9 619.03 Win018_C03 134 FALSE 0 0 87921.5106046216 75820.3675578171 41994.4640187899 32005.0046218522 32858.7441129647 441937.19391909 115539.140976337 95748.7528800932 kana02_ID142 kana02_cmb_ID134 U 1401 621.65 Win019_C01 135 FALSE 0 0 2719118.61441269 2722087.98103663 2440468.3605117 1887188.84955302 955679.71271244 2678642.82958419 1349514.89913767 1348860.59671806 kana02_ID143 kana02_cmb_ID135 U 1402.9 622.65 Win019_C02 136 FALSE 0 0 855324.103586345 498850.668960096 238474.616545977 496602.641048942 203191.934716542 675481.805073887 741575.224511984 418648.535470492 kana02_ID144 kana02_cmb_ID136 U 1407.6 625.14 Win019_C03 137 FALSE 0 0 250468.497380392 624535.922645341 13918.7419077289 15584.6501696514 38730.3451806151 1251247.71293302 1941462.42516302 2191343.34927718 kana02_ID145 kana02_cmb_ID137 U 1407.6 625.14 Win019_C04 138 FALSE 0 0 3952940.45501102 2677300.3208355 9236906.07042011 5241887.51418315 0 43395153.2533574 8227386.50339151 7601302.03139341 kana02_ID146 kana02_cmb_ID138 U 1409.1 625.87 Win019_C05 139 FALSE 0 0 10455105.3810074 5084615.13442621 12411404.464121 17954121.3793153 65066344.7965456 58904552.9251884 41091101.4218117 26388746.0477015 kana02_ID148 kana02_cmb_ID140 U 1415.2 628.96 Win020_C02 141 FALSE 0 0 380729.383472917 31777.0397633217 4212.98450594388 164232.695051172 47365.5029418526 0 2129800.18933814 185462.34504335 kana02_ID150 kana02_cmb_ID142 U 1417.5 630.15 Win020_C04 143 FALSE 0 0 2937313.28121821 1869712.90455391 2072110.74645412 3386488.59715696 7279621.96447993 7249378.33531643 8547380.04061471 5950156.47585369 kana02_ID151 kana02_cmb_ID143 I "Alanine, beta- (3TMS)" 1421.4 632.18 Win020_C05 144 "Alanine, beta- (3TMS)" TRUE 5269-40-9|17891-86-0|16690-93-0|107-95-9|55255-77-1 beta-alanine 79421453.3721172 156008138.425666 144840358.733447 123443671.180114 149156409.231659 20491222.5014332 68209088.4239912 114653726.015733 kana02_ID152 kana02_cmb_ID144 U 1423.7 633.41 Win020_C06 145 FALSE 0 0 10778550.9901364 8581030.62744149 417778.391753723 1193186.73944554 27717.0179241468 850977.137897669 1256211.0936568 625631.295255203 kana02_ID153 kana02_cmb_ID145 M1 M000000_A147001-101-xxx_NA_1459.41_PRED_VAR5_ALK_NA 1425.9 634.47 Win020_C07 146 M000000_A147001-101-xxx_NA_1459.41_PRED_VAR5_ALK_NA TRUE 0 0 1819886462.7381 1815262272.50309 1795724290.60507 1812872563.71781 1958416676.46679 1959675645.4633 1981908222.26732 1973659853.05139 kana02_ID154 kana02_cmb_ID146 U 1430.9 637.06 Win021_C01 147 FALSE 0 0 108310.551566401 60072.5292295282 391685.112857875 434481.536604105 7607772.49368937 1419744.58959517 1206333.52663189 1011147.94721865 kana02_ID155 kana02_cmb_ID147 U 1432.3 637.79 Win021_C02 148 FALSE 0 0 148699.631776237 204609.653679749 298937.937941083 487632.242045081 859071.218263052 24630.6729462256 216695.195594705 285256.640038124 kana02_ID156 kana02_cmb_ID148 U 1436.6 640.01 Win021_C03 149 FALSE 0 0 1350340.27633304 1862352.3038113 1727098.78996827 1403470.61261365 1635599.97504289 1045934.72205985 1315701.46826356 1687726.42130096 kana02_ID157 kana02_cmb_ID149 U 1443.2 643.4 Win021_C04 150 FALSE 0 0 3183781.31375835 1153332.20180509 1373300.39403855 1218622.85484645 1179035.09678532 65273722.8599503 4584549.59313664 2165163.87489466 kana02_ID158 kana02_cmb_ID150 U 1445.7 644.69 Win022_C01 151 FALSE 0 0 108154.646277624 336163.004503426 8678412.85883449 657594.651333015 654399.93376396 52684.1828077288 8531.64576737135 39085.1031314693 kana02_ID159 kana02_cmb_ID151 U 1450.6 647.18 Win022_C02 152 FALSE 0 0 45413.0769723407 121641.948083422 58050.4591975483 14205.28032033 948.597230007404 7659.47068695821 1778.75502100486 3697.44587263689 kana02_ID160 kana02_cmb_ID152 U 1451.9 647.92 Win022_C03 153 FALSE 0 0 66068110.8578 468030613.704531 240130254.832998 13539183.6752521 124901778.613881 2132065671.4329 149019567.104142 723856949.562797 kana02_ID161 kana02_cmb_ID153 U 1453.1 648.51 Win022_C04 154 FALSE 0 0 407613719.865733 15546475.5100216 27806881.2369115 337734617.815431 36741362.5907499 1427238695.93832 325098822.679455 24604031.9860266 kana02_ID162 kana02_cmb_ID154 U 1453.7 648.81 Win022_C05 155 FALSE 0 0 296899115.703659 1250836628.38179 3896932276.90458 938840220.641667 4996683654.18025 186495781.363557 342637986.167705 1344451996.04533 kana02_ID163 kana02_cmb_ID155 U 1454.1 648.98 Win022_C06 156 FALSE 0 0 8505251.12060428 1128819.07743183 53170614.3314879 359326013.657179 262735060.759457 865288.063314179 5585536.0479969 1882949.14614963 kana02_ID164 kana02_cmb_ID156 U 1454.7 649.31 Win022_C07 157 FALSE 0 0 949189633.557288 967010148.077322 550680685.084086 245472989.929005 73607143.2404979 2715222478.78293 290172986.922895 283520898.275498 kana02_ID165 kana02_cmb_ID157 U 1456 649.97 Win022_C08 158 FALSE 0 0 1768140.27405362 7821599.62187589 5585738.39584574 2285941.97554952 105425370.376784 10533472.1816803 36040702.3789089 113784488.397193 kana02_ID166 kana02_cmb_ID158 U 1457.6 650.77 Win022_C09 159 FALSE 0 0 48087258.562996 26697558.5249864 3347797.99905844 7171930.36206665 94848.6391182763 4735489.324916 2405716.12942132 1065265.95530856 kana02_ID167 kana02_cmb_ID159 U 1458.5 651.27 Win022_C10 160 FALSE 0 0 45136.9478405504 7441.92038257063 2613.37592441693 52228.2393199914 648386.274514727 398221.290460584 4415100.49191795 784348.441791003 kana02_ID168 kana02_cmb_ID160 U 1463.2 653.66 Win023_C01 161 FALSE 0 0 6665965.4052229 8779564.0150696 6817803.04208925 2959362.87326601 680323.741595976 5468099.61596196 1204694.33779499 1506712.37862742 kana02_ID169 kana02_cmb_ID161 U 1466.3 655.29 Win023_C02 162 FALSE 0 0 7871205.39803379 19861408.3265622 15980619.3992613 10950666.862134 3060079.61617482 419052.860748402 1387926.21571573 2805727.8851186 kana02_ID170 kana02_cmb_ID162 U 1467.7 656.02 Win023_C03 163 FALSE 0 0 1249861.81707862 1005806.87650706 1421366.78165536 2200532.88284553 9160384.23012846 2699907.00383723 5605269.75583175 4867561.34446712 kana02_ID171 kana02_cmb_ID163 I "Malic acid, DL- (3TMS)" 1478.6 660.1 Win024_C01 164 "Malic acid, DL- (3TMS)" TRUE 636-61-3|617-48-1|38166-11-9|97-67-6|6915-15-7 l-malic acid 2546220381789.69 2215280426285.73 2536297741931.67 2697448420453.73 5230339877068.75 5688550565985.93 5079375740194.51 4639506252391.03 kana02_ID175 kana02_cmb_ID164 U 1495.1 670.06 Win025_C01 165 FALSE 0 0 68263572.2259848 88497122.3702511 62195724.0505957 32998187.1676185 31323047.1867024 171209433.406694 56235246.0060237 67625116.5873112 kana02_ID176 kana02_cmb_ID165 U 1496.3 670.69 Win025_C02 166 FALSE 0 0 178796348.622224 116761697.151652 189380921.246892 225362524.093665 354138626.05461 419049422.092468 296801350.427382 227523815.263568 kana02_ID177 kana02_cmb_ID166 U 1497.3 671.16 Win025_C03 167 FALSE 0 0 16766830507.2756 19328806057.566 11775722147.801 12895439792.298 12459292198.8933 14030982560.0141 18932063202.7711 19491772695.8982 kana02_ID178 kana02_cmb_ID167 M1 M000000_A151002-101_MST_1509.5_EITTMS_ 1500 672.58 Win025_C04 168 TRUE 0 0 18979661.8994016 16378453.1558874 20369210.8698494 25021772.0327287 106204161.405534 64023991.0869976 83394772.6168589 75998135.2705792 kana02_ID179 kana02_cmb_ID168 U 1501.2 673.21 Win025_C05 169 FALSE 0 0 984660174.942916 1367352399.54791 1129079306.86734 707571625.81197 1026554025.95485 1839155231.19114 1169733970.70783 1505113992.98722 kana02_ID180 kana02_cmb_ID169 U 1502.3 673.68 Win025_C06 170 FALSE 0 0 904100880.914388 857634553.083282 953617192.647017 948197831.79386 531451927.16425 541067856.795014 497222182.346512 485293268.240231 kana02_ID183 kana02_cmb_ID171 U 1504.1 674.61 Win025_C09 172 FALSE 0 0 3789229.346502 7373592.5447598 2886409.4026369 1168496.27975318 752133.185755176 6233947.38222509 2059173.54366533 3150125.89805911 kana02_ID185 kana02_cmb_ID172 U 1505.4 675.21 Win025_C11 173 FALSE 0 0 2341143.15670742 5392718.4962309 11999162.5478531 3527901.73849225 52831716.4529564 21317739.6299306 12341000.651752 28532392.6080291 kana02_ID186 kana02_cmb_ID173 I "Aspartic acid, DL- (3TMS)" 0 677.43 Win026_C01 174 X_140 X_142 "Aspartic acid, DL- (3TMS)" TRUE 55268-53-6|1783-96-6|617-45-8|56-84-8|15985-05-4 l-aspartic acid COR_NG:HI 20040525586.5098 23120588838.7274 21567610990.0067 20688792845.5506 49473927735.5976 36992351406.7977 45486545480.8393 50384475110.9635 kana02_ID187 kana02_cmb_ID174 U 1513.2 679.02 Win026_C02 175 FALSE 0 0 200083255.066753 530956489.157163 208836709.277223 99040237.0285489 226923872.739159 333850703.299557 345060461.141773 664898458.890424 kana02_ID190 kana02_cmb_ID176 U 1522.9 683.67 Win026_C05 177 FALSE 0 0 20007402773.1681 18985181656.7855 20925115896.0878 20524404137.216 21431896524.8654 23157058094.8103 20500451737.5436 20003031822.9868 kana02_ID191 kana02_cmb_ID177 I "Butyric acid, 4-amino- (3TMS)" 1524.1 684.27 Win026_C06 178 "Butyric acid, 4-amino- (3TMS)" TRUE 56-12-2|39538-11-9|39508-23-1 4-aminobutyric acid 3786873388.6659 3267637951.08558 1921333505.87826 2964123498.39035 6497667616.09661 8137539790.86266 12365962444.9765 9922176445.23247 kana02_ID192 kana02_cmb_ID178 U 1534.8 689.45 Win027_C01 179 FALSE 0 0 31595399.9446448 16659819.02968 3993621.36197443 4166079.24672585 337007.768343674 58165670.4772358 6351311.80971759 3112095.16648873 kana02_ID193 kana02_cmb_ID179 U 1536.5 690.34 Win027_C02 180 FALSE 0 0 4462794.27670844 3074993.22640102 3232167.25989824 4627149.14178578 4189822.78163704 5181932.17238487 5201419.4229233 3848593.87582765 kana02_ID194 kana02_cmb_ID180 U 1539.6 691.77 Win027_C03 181 FALSE 0 0 688075.764933142 506693.912416248 802480.936078464 572611.848557387 667686.42198974 2654896.59047176 709859.904464449 613207.558572446 kana02_ID195 kana02_cmb_ID181 A2 Threonic acid (4TMS) 1547.6 695.16 Win027_C04 182 Threonic acid (4TMS) TRUE 3909-12-4|7306-96-9|38191-88-7|70753-61-6 l-threonic acid 5883763504.50888 2861385996.80236 4443560478.37839 3870151879.95428 7978174154.452 88306326198.3848 13943709168.199 8615820329.32336 kana02_ID197 kana02_cmb_ID182 U 1553 698.25 Win028_C01 183 FALSE 0 0 6899334.11091719 5430665.78367953 9624148.7467492 15419809.4391001 22268305.5901912 4125932.71781567 9975518.82580984 8795848.23319027 kana02_ID198 kana02_cmb_ID183 U 1563.9 703.56 Win028_C02 184 FALSE 0 0 696475008.879615 657327987.972476 1144619259.82148 844039097.318483 2782781587.2768 3137013507.47438 1744127645.15378 1847581902.32889 kana02_ID199 kana02_cmb_ID184 U 1566.8 704.95 Win028_C03 185 FALSE 0 0 365845.208572837 96895.9162460478 232106.233134654 2772952.12284403 4707137.81432384 55691.0798252773 1551968.65749173 548528.083156908 kana02_ID200 kana02_cmb_ID185 M1 M000000_A159003-101_MST_1585.2_EITTMS_ 1572.6 707.84 Win029_C01 186 TRUE 0 0 835131817.180409 382429982.732296 820467943.405319 2200433866.09161 4308431862.09875 881476618.643516 2247497148.8091 1302518018.06096 kana02_ID201 kana02_cmb_ID186 M1 M000000_A159001-101_MST_1594.9_EITTMS_ 1573.4 708.17 Win029_C02 187 TRUE 0 0 13739.7586708719 6260.45768041609 183963.658750024 71321.6630406433 3271479.51888548 2021546.39001534 183166.038842326 176458.055386386 kana02_ID202 kana02_cmb_ID187 M1 M000000_A159001-111_IS (QUAN)_1594.8_EITTMS_ 1573.6 708.27 Win029_C03 188 M000000_A159001-111_IS (QUAN)_1594.8_EITTMS_ TRUE 0 0 47084434.6216923 26421515.618251 60744476.1416738 57636157.944032 43465996.0821285 97319381.6520423 33100243.630816 24120801.5813326 kana02_ID203 kana02_cmb_ID188 U 1577.3 710.07 Win029_C04 189 FALSE 0 0 487504.757321844 3167470.7928988 1182276.88695479 232527.650831792 851687.320561594 697332.846025713 709442.235032112 2852183.11850026 kana02_ID204 kana02_cmb_ID189 U 1581.8 712.26 Win029_C05 190 FALSE 0 0 1998975.24707972 2672149.55281841 6166740.48504839 4124704.65817631 6313217.40506992 1439188.98084019 1702972.31465016 2477464.07499041 kana02_ID205 kana02_cmb_ID190 M1 M000000_A160001-101_MST_1603.1_EITTMS_ 1588 715.28 Win030_C01 191 TRUE 0 0 2318068848.04603 931179130.837818 867768046.579359 1824554405.44288 2353492979.31099 8884876073.68333 5803399676.3666 2717351521.48406 kana02_ID206 kana02_cmb_ID191 M1 M000000_A161001-101_MST_1614.2_EITTMS_ 1589.3 715.91 Win030_C02 192 TRUE 0 0 8880220391.6975 8971794189.15945 5149671440.33332 6701749434.79553 6782199300.71548 8275884962.04793 11990054360.5419 10936295023.0598 kana02_ID207 kana02_cmb_ID192 M1 M000000_A161001-101_MST_1611.9_EITTMS_ 1590.3 716.37 Win030_C03 193 TRUE 0 0 116602015.536979 11851523.1733457 3333418.40735315 47371639.1999674 7951497.70809791 148532070.636937 196700314.413606 23733443.0654203 kana02_ID208 kana02_cmb_ID193 U 1591.9 717.24 Win030_C04 194 FALSE 0 0 1090235797.46655 1526572732.15096 1487021134.32858 835525388.737682 843886548.960252 1503881999.02039 816588720.656914 1091371545.20424 kana02_ID209 kana02_cmb_ID194 U 1593.8 718.13 Win030_C05 195 FALSE 0 0 561449865.691566 526859169.487804 242194246.512431 439445501.105711 435200988.042784 377501214.560526 915590549.657875 747811534.347243 kana02_ID210 kana02_cmb_ID195 U 1597.7 720.03 Win030_C06 196 FALSE 0 0 343486801.534589 353758116.059593 301167135.686503 448865578.790598 535345666.113054 182206356.386959 476594000.834007 464657267.466151 kana02_ID211 kana02_cmb_ID196 U 1606.1 723.88 Win031_C01 197 FALSE 0 0 225495491.142528 202194999.668087 95059823.3463033 130541448.730371 36981102.94366 89402695.0910938 99404166.5324242 79966633.9779243 kana02_ID213 kana02_cmb_ID198 I "Glutamic acid, DL- (3TMS)" 0 725.37 Win031_C03 199 X_506 "Glutamic acid, DL- (3TMS)" TRUE 56-86-0|617-65-2|138-16-9|15985-07-6|6893-26-1 l-glutamic acid COR_OK:HDA 1539462524.19733 1485090609.31436 2393154446.41533 2143343945.65102 4714948683.74793 3047570603.23781 2757754015.21496 2902692593.06152 kana02_ID215 kana02_cmb_ID199 U 1610.9 726.13 Win031_C05 200 FALSE 0 0 1093908508.80086 988890653.628687 1148155151.79272 1235684422.54671 1154738982.44054 1012884670.49531 1029242989.67946 969698568.74839 kana02_ID217 kana02_cmb_ID201 U 1620 730.32 Win031_C07 202 FALSE 0 0 3290890.06027095 3607172.97919186 908039.859927784 2649725.24837158 4929492.33423595 1647307.08804502 13463127.0042106 10999413.1514628 kana02_ID218 kana02_cmb_ID202 U 1622.2 731.25 Win031_C08 203 FALSE 0 0 1309790373.68427 1209447773.77235 1256662976.62152 1354230978.70393 1550909702.02677 1547883731.32413 1564667719.73748 1473336499.82569 kana02_ID219 kana02_cmb_ID203 I "Phenylalanine, DL- (2TMS)" 1622.8 731.55 Win031_C09 204 "Phenylalanine, DL- (2TMS)" TRUE 673-06-3|150-30-1|7364-51-4|3617-44-5|2899-42-5|63-91-2|2899-52-7 l-phenylalanine 61583349.1484396 17903500.2657264 95768114.5447368 63625158.1657433 38015807.0248795 672420636.17786 30668524.5744 15619109.4325618 kana02_ID220 kana02_cmb_ID204 U 1623.7 731.98 Win031_C10 205 FALSE 0 0 23622934.5741632 35637981.3911071 6923084.23587072 6701001.20079623 1558909.1837104 8432834.62755818 8714224.33074788 9351413.6978282 kana02_ID221 kana02_cmb_ID205 U 1634.8 737.09 Win031_C11 206 FALSE 0 0 263522369.810216 371211606.109535 208486574.163758 231006662.940578 446534127.059301 259101084.453467 559372375.717503 663562408.462116 kana02_ID222 kana02_cmb_ID206 A2 "Xylose, D- (1MEOX) (4TMS)" 1647 739.48 Win032_C01 207 "Xylose, D- (1MEOX) (4TMS)" TRUE 25990-60-7|56196-07-7|58-86-6|609-06-3 d-xylose 570635189.379449 933171479.9706 523970507.515032 403454396.722347 1176980804.06984 1220581708.86351 1551053307.82047 2109525455.13545 kana02_ID228 kana02_cmb_ID207 U 1652 745.03 Win032_C07 208 FALSE 0 0 488616.939675925 173111.693584239 52448.8421582224 95684.8104875476 119865.802479361 10394480.5739524 1932442.19889371 698297.839495662 kana02_ID229 kana02_cmb_ID208 A2 "Asparagine, DL- (3TMS)" 0 748.38 Win033_C01 209 X_201 "Asparagine, DL- (3TMS)" TRUE 7006-34-0|55649-62-2|3130-87-8|70-47-3|2058-58-4 l-asparagine TMS:HI 42183626553.7427 44175991793.1442 25010385481.1152 32710072069.6023 32498858962.3673 34840429734.1991 55318149477.444 51750500044.3193 kana02_ID231 kana02_cmb_ID209 U 1661.1 749.21 Win033_C03 210 FALSE 0 0 152329490.336601 766972829.60298 809342553.218025 93436722.6991463 358373188.001434 577010926.46568 150436159.755819 600320307.982969 kana02_ID232 kana02_cmb_ID210 U 1661.8 749.47 Win033_C04 211 FALSE 0 0 650014977.555019 239298895.558665 49844474.4940874 268985729.07313 147714830.282556 713275314.304248 1691462342.3481 557709670.535347 kana02_ID233 kana02_cmb_ID211 U 1669.8 753.23 Win033_C05 212 FALSE 0 0 74613289.7934791 75304642.3173685 71469153.2961585 72847364.8385052 95867200.8766448 96317967.1654042 100341494.268271 100145997.108701 kana02_ID234 kana02_cmb_ID212 U 1674.8 755.48 Win033_C06 213 FALSE 0 0 154505341.672982 165239687.803224 108540665.910376 146729840.078132 264742227.810344 176055303.334765 345503228.108727 335345005.816819 kana02_ID235 kana02_cmb_ID213 M1 M000000_A170001-101_MST_1700.2_EITTMS_ 1683.8 759.57 Win034_C01 214 TRUE 0 0 13066782.9655584 89154479.5902061 29055455.6077108 7803154.30008893 7575845.15390716 2464265.37463423 5623669.24028014 22578987.5618337 kana02_ID236 kana02_cmb_ID214 M1 M000000_A170001-101_MST_1700.2_EITTMS_ 1685.3 760.26 Win034_C02 215 TRUE 0 0 25658960.0811281 7003083.74995861 206703.52011866 4811101.73495589 45791946.8295088 299526909.168728 4303563760.87591 767647456.42542 kana02_ID237 kana02_cmb_ID215 M1 M000000_A170001-101_MST_1700.2_EITTMS_ 1685.7 760.46 Win034_C03 216 TRUE 0 0 31356435.1333727 39927635.4632686 60617298.131822 59320998.1709255 28603725.6660345 5280488.89033931 11254547.0575361 14468384.7603641 kana02_ID238 kana02_cmb_ID216 U 1686.6 760.86 Win034_C04 217 FALSE 0 0 3003267.97723118 7723685.20768713 9632940.45343085 8029733.99077432 184244013.983955 5329052.24977193 37807195.9942621 81937160.6104656 kana02_ID239 kana02_cmb_ID217 U 1687.5 761.33 Win034_C05 218 FALSE 0 0 10039476.4923038 2492650.8312142 49007803.5408566 32348990.8565672 2328030.6494085 6170384.40842337 381164.738976827 209495.607394394 kana02_ID240 kana02_cmb_ID218 U 1689.4 762.22 Win034_C06 219 FALSE 0 0 8259928.24691204 6566157.3657594 1616812.7298099 4508969.53007594 2190410.09442287 3103443.73861874 10309350.3887733 6568613.44075629 kana02_ID241 kana02_cmb_ID219 U 1691.2 763.02 Win034_C07 220 FALSE 0 0 11272780.952348 16702728.24176 20856232.4557467 28410823.0873641 184983367.607085 9594246.30206378 59681690.1463413 82096418.4967663 kana02_ID242 kana02_cmb_ID220 U 1693.1 763.88 Win034_C08 221 FALSE 0 0 52181603.5495191 7882353.48965791 6234453.57037028 45425012.8345622 4919543.02349448 22038558.5721738 25892824.1333761 5163399.12908491 kana02_ID243 kana02_cmb_ID221 U 1694.7 764.61 Win034_C09 222 FALSE 0 0 226232.25992183 657579.327312488 840599.928460841 605774.969788989 38090189.8511706 1036146.16937856 7014662.21304454 16917070.8511444 kana02_ID244 kana02_cmb_ID222 A2 "Glucose, 1,6-anhydro, beta-D- (3TMS)" 1694.9 764.71 Win034_C10 223 "Glucose, 1,6-anhydro, beta-D- (3TMS)" TRUE 7449-14-1|498-07-7 1,6-anhydro-beta-d-glucose 285764706.132737 386147500.282445 375556913.110329 345816273.472931 372888550.287371 157858551.100971 263307318.234917 332410854.472084 kana02_ID245 kana02_cmb_ID223 U 1696.2 765.34 Win034_C11 224 FALSE 0 0 1238863.09933325 2449812.15274892 12450221.8581102 1880796.62580799 8749783.29413093 10789887.209454 1319671.51518233 3198259.86059876 kana02_ID246 kana02_cmb_ID224 U 1703.1 768.4 Win035_C01 225 FALSE 0 0 5049345.10892584 2390184.49381243 12106106.1946202 27368559.8293883 471910669.401081 27471196.4259841 79340620.7497737 54291763.3268097 kana02_ID247 kana02_cmb_ID225 A2 "Ribitol, D- (5TMS)" 1706.1 768.96 Win035_C02 226 "Ribitol, D- (5TMS)" TRUE 488-82-4|14199-73-6|14199-72-5|84709-42-2|7313-55-5|12426-00-5|32381-53-6|488-81-3|87-99-0|37191-59-6|75398-81-1|2152-56-9 d-arabitol 1044841753.71288 1078828143.62785 2043298263.45999 1490693529.83326 2719369327.77412 1894946096.40721 1334720386.53433 1535874492.54638 kana02_ID250 kana02_cmb_ID226 A2 "Rhamnose, DL- (1MEOX) (4TMS)" 1711.3 771.95 Win035_C05 227 "Rhamnose, DL- (1MEOX) (4TMS)" TRUE 6155-35-7|3615-41-6|4469-18-5|10030-85-0|73-34-7 l-rhamnose 69337977.6027327 106242436.261511 84796676.342269 37831922.8186318 20711397.239231 79971564.9315857 27581957.9127477 38869168.5727465 kana02_ID251 kana02_cmb_ID227 U 1717.3 774.57 Win035_C06 228 FALSE 0 0 10212920.1043382 27002335.25099 31244477.2587243 4447419.94498202 3440315.18223295 29436503.4108147 2833018.81305495 0 kana02_ID252 kana02_cmb_ID228 U 1721.2 776.33 Win035_C07 229 FALSE 0 0 819985.720550749 54354.5249993692 11130.9344788032 1219160.27247422 382501.209965172 102936.269286474 6056383.46165828 443546.153874926 kana02_ID253 kana02_cmb_ID229 U 1729.4 779.89 Win036_C01 230 FALSE 0 0 17505287.7408619 20152890.6535079 21682802.9160334 21704551.7717442 59185011.810768 29487944.7223796 43237147.5182291 48738320.6758639 kana02_ID254 kana02_cmb_ID230 U 1729.7 779.98 Win036_C02 231 FALSE 0 0 53340811.3682115 83290812.961528 106417033.389371 66846056.807386 314496222.966537 151006802.1237 162309494.929527 244268940.729829 kana02_ID255 kana02_cmb_ID231 U 1732.4 781.15 Win036_C03 232 FALSE 0 0 19540721939.6504 20859695589.0633 15427072742.8187 19931439647.4718 39748946742.0611 24426825343.6879 45530900273.0135 45051667725.5814 kana02_ID256 kana02_cmb_ID232 U 1733.3 781.58 Win036_C04 233 FALSE 0 0 3812.58112271438 11440.306825485 455381.904884034 19813.9644894825 7967069.19088661 1866265.22941743 90121.4486328479 443454.100514192 kana02_ID257 kana02_cmb_ID233 U 1733.8 781.78 Win036_C05 234 FALSE 0 0 265936720.843511 244935327.251508 205492379.348115 204165410.340812 110187597.271857 218495723.422507 160333362.677532 146567198.158229 kana02_ID258 kana02_cmb_ID234 I "Aconitic acid, cis- (3TMS)" 1736.3 782.87 Win036_C06 235 "Aconitic acid, cis- (3TMS)" TRUE 585-84-2|4023-65-8|55530-71-7 trans-aconitic acid 475543251.833559 335743015.318172 553324442.354345 960533297.328422 4087010726.05937 1032971786.27356 2246203420.92577 1792597150.0936 kana02_ID259 kana02_cmb_ID235 U 1736.8 783.14 Win036_C07 236 FALSE 0 0 43101.7387302306 33341.1966200479 244957.789341167 92782.2141678396 2851147.82035034 3565095.73375744 520614.252762271 612269.304628124 kana02_ID260 kana02_cmb_ID236 M1 M000000_A176001-101_MST_1756.4_EITTMS_ 1741.8 785.26 Win037_C01 237 TRUE 0 0 2445708897.54616 1821231086.95465 2476159862.71592 3994795495.0392 8128696637.03105 3066990947.60957 5717301724.82017 4637571448.83173 kana02_ID261 kana02_cmb_ID237 U 1745.7 786.96 Win037_C02 238 FALSE 0 0 72422561.4098394 177822020.85297 114006790.622093 38106046.7601468 39808053.8148876 93770000.5702941 44370081.4108349 88539770.7110253 kana02_ID262 kana02_cmb_ID238 U 1747.3 787.69 Win037_C03 239 FALSE 0 0 127475854.141484 38874989.0874861 51472635.0111867 172620639.094588 131058561.906243 164785283.991279 209349078.826379 81300916.6120004 kana02_ID263 kana02_cmb_ID239 M1 M000605_A177001-101_MST_1767_EITTMS_ 1751 789.25 Win037_C04 240 TRUE 0 0 1325809719.61375 1483822245.33834 1590748579.88454 1890258115.28319 3531953948.83568 1143635125.72893 2378543058.64359 2595375316.4036 kana02_ID264 kana02_cmb_ID240 U 1755.6 791.31 Win037_C05 241 FALSE 0 0 834660146.669751 622440933.849315 570795565.011066 1068887381.77093 748060726.921169 375296600.090798 817963357.291379 620172488.284238 kana02_ID265 kana02_cmb_ID241 U 1756.9 791.9 Win037_C06 242 FALSE 0 0 5213574.72512571 47971271.695268 231432154.924791 12383530.7582525 1050139885.66196 96775778.2210909 37461932.9304409 313880484.256265 kana02_ID266 kana02_cmb_ID242 I "Glutamine, DL- (3TMS)" 1764.1 795.02 Win038_C01 243 "Glutamine, DL- (3TMS)" TRUE 5959-95-5|56-85-9|56145-13-2|6899-04-3|585-21-7 l-glutamine 877861957.216824 565751205.109447 997128343.065262 1723997865.52862 1459847381.23673 468540512.891872 838791784.449959 630429967.755651 kana02_ID267 kana02_cmb_ID243 U 1765.2 795.46 Win038_C02 244 FALSE 0 0 224766.991226709 214002.559318138 453153.486770517 200116.495153855 45409793.6533029 174103790.016621 31315245.7300733 35467274.072839 kana02_ID268 kana02_cmb_ID244 M1 M000605_A177001-101_MST_1767_EITTMS_ 1767.3 796.35 Win038_C03 245 TRUE 0 0 1204356926.02875 1234188314.01057 948095867.082902 1466011907.42933 1767445192.98967 666232694.566783 1782514400.49491 1700664654.86406 kana02_ID269 kana02_cmb_ID245 U 1769.6 797.35 Win038_C04 246 FALSE 0 0 3040505.38359345 1609167.27684635 2897390.59326746 5957402.70304237 6427718.46974411 2456695.44845676 4221643.07325317 2706311.8296583 kana02_ID270 kana02_cmb_ID246 U 1772.5 798.71 Win038_C05 247 FALSE 0 0 4509094.9980073 1234926.49259594 92151.9648402936 687137.08432253 2233133.33081561 90106324.3513758 132594621.764975 29207759.7005985 kana02_ID271 kana02_cmb_ID247 U 1775.1 799.77 Win038_C06 248 FALSE 0 0 105335150.354928 81977426.9869323 55350643.1772141 102684472.471658 182756232.529589 145163861.699399 290737130.425494 217591007.368067 kana02_ID272 kana02_cmb_ID248 U 1778.5 801.3 Win038_C07 249 FALSE 0 0 94652.9548120078 2484.67133788607 131401.144424285 371669.033451322 3761616.69412161 90699704.7504001 1463341.7283261 151334.008788502 kana02_ID273 kana02_cmb_ID249 U 1779.9 801.9 Win038_C08 250 FALSE 0 0 861150.89802727 217347.721636912 20916.978078656 4064934.68566553 28931.2601244227 29.0184566896896 117631.180097457 20839.1575265616 kana02_ID274 kana02_cmb_ID250 U 1788.1 805.48 Win038_C09 251 FALSE 0 0 3279058.0079958 6895160.88689689 25997000.9463298 4351582.75228287 2675866.31195016 3343733.32095159 519409.19014081 1253796.96551475 kana02_ID275 kana02_cmb_ID251 M1 M000000_A181001-101_MST_1808.4_EITTMS_ 1796.4 809.13 Win039_C01 252 TRUE 0 0 3397012467.56041 2332378111.71079 2551634937.77486 3440539548.27181 5651931313.63135 7940298616.77021 6973150647.15365 5195223063.08847 kana02_ID276 kana02_cmb_ID252 I Citric acid (4TMS) 0 812.52 Win039_C02 253 X_513 Citric acid (4TMS) TRUE 5949-29-1|14330-97-3|77-92-9 citric acid COR_OK:HDA 1809598048946.78 1934602898725.25 2206944414663.06 2158271259145.43 4250831765932.71 2719773927259.13 3249638246918.8 3495309869187.24 kana02_ID280 kana02_cmb_ID253 A2 "Pinitol, D- (5TMS)" 1820.5 819.16 Win040_C01 254 "Pinitol, D- (5TMS)" TRUE 484-68-4|642-38-6|10284-63-6 d-pinitol 68016192506.9187 36619039534.3045 34256187344.2893 110674196113.55 108679110303.34 32793712557.6425 124798399495.585 71454920024.2618 kana02_ID282 kana02_cmb_ID254 U 1835.7 825.5 Win041_C01 255 FALSE 0 0 13712710.1469063 15954750.5651617 6657695.34820804 16653312.5889544 5092421.51017411 823936.907775523 7004433.05304103 6529675.97847696 kana02_ID283 kana02_cmb_ID255 U 1836.6 825.93 Win041_C02 256 FALSE 0 0 47800.0147997631 1512505.33563796 11194.1368202744 3623.99279389604 1252.1710140091 0 17015.3802469512 124297.394283432 kana02_ID284 kana02_cmb_ID256 U 1837.4 826.23 Win041_C03 257 FALSE 0 0 1301913.26029621 1774327.09718479 3030867.43887608 1699929.0302875 1663995.16661718 1109869.60690356 760513.867708939 1084150.50368201 kana02_ID285 kana02_cmb_ID257 U 1839.8 827.23 Win041_C04 258 FALSE 0 0 954344.561537299 2857629.07429752 1936099.38146953 1124382.96052822 5520234.61518697 918311.041958001 2798016.20758972 6350873.05140726 kana02_ID286 kana02_cmb_ID258 U 1843.4 828.69 Win041_C05 259 FALSE 0 0 6873854.22682927 4476670.44266901 3040184.88250595 4826262.61903774 2590706.22906708 6722334.54499266 5992732.96230825 3948607.23398178 kana02_ID287 kana02_cmb_ID259 U 1844.8 829.29 Win041_C06 260 FALSE 0 0 103624.279844766 913928.545534194 1094839.46665256 133948.647962378 9301574.91919424 1084430.83577318 1354923.45821211 8467070.09330818 kana02_ID288 kana02_cmb_ID260 U 1846 829.75 Win041_C07 261 FALSE 0 0 10283885.365124 1608376.52240363 2435923.15581414 57355161.3457108 2068470.08974053 53609.0890977852 1716952.27980391 362056.116583721 kana02_ID289 kana02_cmb_ID261 U 1847 830.18 Win041_C08 262 FALSE 0 0 76201.5941696091 146031.476352273 267257.375084416 155631.885926519 5625898.52128819 766989.555979687 1364320.81633416 2551183.8119475 kana02_ID290 kana02_cmb_ID262 U 1847.2 830.28 Win041_C09 263 FALSE 0 0 47098.3053766444 2247316.87521622 190463.930345267 2068.98883462713 152973.749773539 9709513.26288502 461719.788395805 8201748.29874556 kana02_ID291 kana02_cmb_ID263 U 1857.8 834.67 Win042_C01 264 FALSE 0 0 302643005.72843 2509636621.33532 524161195.598461 101823699.321935 68769035.0096619 69914533.4845565 91094253.9074721 405105248.690087 kana02_ID292 kana02_cmb_ID264 I "Fructose, D- (1MEOX) (5TMS)" 0 835 Win042_C02 265 X_510 "Fructose, D- (1MEOX) (5TMS)" TRUE 57-48-7|53188-23-1|56196-14-6|19126-98-8|7776-48-9|30237-26-4 d-fructose COR_OK:HDA 17604946635.1124 71780411010.4566 11135572883.6087 11509871363.4699 3370528332.95758 468788649.810431 5589953216.76305 12440291270.7885 kana02_ID293 kana02_cmb_ID265 M1 M000000_A187005-101_MST_1871.9_EITTMS_ 1864.1 837.25 Win042_C03 266 TRUE 0 0 5604555577.36582 4541392970.28303 4976327288.64544 8354891872.75351 10500567879.2202 3815614329.3047 8565621166.55645 7160206906.29159 kana02_ID294 kana02_cmb_ID266 I "Fructose, D- (1MEOX) (5TMS" 1867.7 838.82 Win042_C04 267 "Fructose, D- (1MEOX) (5TMS" TRUE 0 0 6206373913.36365 32102344079.6157 3955898311.71859 4994099051.81599 1290375207.16174 58466320.0906385 1787153096.31569 4560448141.95067 kana02_ID295 kana02_cmb_ID267 U 1869.1 839.38 Win042_C05 268 FALSE 0 0 195900705.84158 613516731.662838 153248405.732835 124685902.770055 45943284.9467698 15241745.9366626 69046847.3482203 136676492.112875 kana02_ID296 kana02_cmb_ID268 I "Mannose, D- (1MEOX) " 1873.5 841.17 Win042_C06 269 "Mannose, D- (1MEOX) " TRUE 10030-80-5|3458-28-4|7296-15-3|530-26-7|31103-86-3 d-mannose 533526284.525694 822071720.086077 311858588.05414 389226193.123183 162709034.71794 97578075.9738995 283547195.117416 337235475.540859 kana02_ID301 kana02_cmb_ID271 U 1887 846.82 Win043_C04 272 FALSE 0 0 13929561690.2945 17942506711.9869 10697358661.6071 10835965110.5229 8733283413.60392 8527611479.60628 12292049187.0446 13805729655.3825 kana02_ID306 kana02_cmb_ID276 A2 "Mannitol, D- (6TMS)" 0 860.2 Win045_C03 277 X_276 "Mannitol, D- (6TMS)" TRUE 69-65-8|75398-80-0|14317-07-8|123897-58-5 d-mannitol COR_NG:HI 912615110.433447 456542905.94849 23033346623.5106 760179988.794234 74683944404.9718 29478090551056.7 10766137840.4895 14004937775.7771 kana02_ID307 kana02_cmb_ID277 A2 "Sorbitol, D- (6TMS)" 0 860.83 Win045_C04 278 X_275 "Sorbitol, D- (6TMS)" TRUE 8042-39-5|8046-05-7|50-70-4|63800-20-4|8036-93-9|14199-80-5|8013-15-8|8045-74-7|15060-73-8|75398-79-7|6706-59-8|36134-87-9|8014-89-9|3959-53-3 d-sorbitol COR_NG:HI 117742965990.419 0 354316623326.699 64509058303.191 493157210847.59 2996569325771.87 351613912847.286 0 kana02_ID309 kana02_cmb_ID279 M2 "Inositol, myo- (6TMS)" 0 870.22 Win046_C01 280 X_274 X_293 X_305 "Inositol, myo- (6TMS)" TRUE 2582-79-8|6917-35-7|87-89-8 myo-inositol COR_NG:HI 239727735495.415 227675161884.217 160452236185.219 117597729711.324 124037013094.169 810552481283.305 276927218723.253 257043954985.146 kana02_ID311 kana02_cmb_ID280 M1 M000000_A199009-101_MST_1991_EIGTMS_ 1954.3 873.68 Win046_C03 281 TRUE 0 0 1833126121.67149 552182354.128098 1171111127.51977 2330850936.49338 2241599089.93276 6265062267.58554 2775892219.16922 1183046069.49926 kana02_ID312 kana02_cmb_ID281 M2 PR_MST_Polyol (Tetraol)_1955.3 1955.3 874.07 Win046_C04 282 PR_MST_Polyol (Tetraol)_1955.3 TRUE 0 0 5791935641.43834 1479216416.70362 3116394765.52424 5057119865.52714 5283797510.9347 54811729380.1618 9846004065.88801 3735502023.26253 kana02_ID313 kana02_cmb_ID282 U 1962.4 876.86 Win047_C01 283 FALSE 0 0 209089205.932851 143031989.988055 4374460.59601121 14510005.349722 63938.6962732284 5447646.77231678 6255352.8930021 2559461.59802376 kana02_ID314 kana02_cmb_ID283 U 1962.9 877.13 Win047_C02 284 FALSE 0 0 1584937.17023665 817198.204526368 419197.597925709 666596.535780487 557360.164461579 6195570.7762846 2709332.13228928 1428362.64686674 kana02_ID315 kana02_cmb_ID284 U 1963.9 877.46 Win047_C03 285 FALSE 0 0 46506.2880584505 1220243.2073242 1873095.47381041 160752.02445347 49204257.0684059 154606.654990148 1296668.3520036 19934540.8932234 kana02_ID316 kana02_cmb_ID285 U 1966.5 878.46 Win047_C04 286 FALSE 0 0 67977.3800249414 62225.5873727288 3017275.51888421 514751.993425394 231848515.243822 0 4188591.61805402 7832527.19522354 kana02_ID317 kana02_cmb_ID286 U 1968.7 879.35 Win047_C05 287 FALSE 0 0 292116.263157384 769129.408135792 658924.271184237 630907.715141719 1194765.05850998 42060.9400701636 362260.431299148 748995.450548441 kana02_ID319 kana02_cmb_ID288 A2 Galactonic acid (6TMS) 0 885.59 Win048_C02 289 X_288 Galactonic acid (6TMS) TRUE 576-36-3|55400-16-3 1201:galactonic acid COR_NG:HI 6614836995.26752 8089388020.92227 11416492643.6014 10146603055.4071 9149167630.3215 3103100966.6657 4555276796.85037 5645826747.35977 kana02_ID320 kana02_cmb_ID289 U 1995.3 889.91 Win048_C03 290 FALSE 0 0 20390285.4700126 14267806.8812926 20763728.1219479 33080556.4474047 54297973.0526235 23827195.9574047 38433886.0482324 30044121.4411053 kana02_ID321 kana02_cmb_ID290 A2 Gluconic acid (6TMS) 2002.5 892.7 Win049_C01 291 Gluconic acid (6TMS) TRUE 527-07-1|34290-52-3|526-95-4 d-gluconic acid 4988620598.78672 7167580318.25724 6935458424.57415 6760306639.54158 12998803789.8778 3644439566.83551 8084213284.43239 10656516778.4932 kana02_ID322 kana02_cmb_ID291 U 2013.1 896.65 Win049_C02 292 FALSE 0 0 769833157.014794 853008203.84732 687687007.836172 748778199.540274 951957969.232648 738614477.071977 1038346993.51899 1082276267.24884 kana02_ID324 kana02_cmb_ID293 U 2028.1 902.36 Win050_C01 294 FALSE 0 0 30164779.525235 34533860.8041532 30392909.1010967 29806389.1866207 74068168.1203235 59563938.401592 73545719.8853209 80164540.452687 kana02_ID325 kana02_cmb_ID294 A2 Saccharic acid (6TMS) 2032.1 903.52 Win050_C02 295 Saccharic acid (6TMS) TRUE 38165-96-7|87-73-0|576-42-1|5793-88-4|25525-21-7 d-saccharic acid 1009611590.79144 2602053967.28631 2121917196.28458 1178814808.22516 1367676289.48653 328559484.307678 690258349.023251 1439057057.54237 kana02_ID327 kana02_cmb_ID295 M1 M000594_A204001-101_MST_2041_EITTMS_ 2032.9 904.15 Win050_C04 296 TRUE 0 0 195741.549669878 9401.19247509581 78667.6847417463 2796250.12027646 687436.669424236 17304.7337665101 219037.306152231 23488.371258286 kana02_ID328 kana02_cmb_ID296 U 2036.3 905.48 Win050_C05 297 FALSE 0 0 3088775.53596891 159528.962335618 198922.473582443 2802144.56251682 119927.910644627 1788902.47725133 1004586.72292356 90158.6390997833 kana02_ID329 kana02_cmb_ID297 U 2037.6 905.98 Win050_C06 298 FALSE 0 0 22811.9427763809 161878.036852099 432776.984600117 116905.134396318 42913677.4643898 194712.364751793 1539679.73136281 8767702.41788751 kana02_ID330 kana02_cmb_ID298 A2 "Hexadecanoic acid, n- (1TMS)" 2040.5 907.07 Win050_C07 299 "Hexadecanoic acid, n- (1TMS)" TRUE 55520-89-3|57-10-3 palmitic acid 809746766.658559 586863892.846814 388886027.050194 523610625.61948 222609481.665803 675312075.073262 514217294.495204 370196105.168983 kana02_ID331 kana02_cmb_ID299 U 2049 910.26 Win050_C08 300 FALSE 0 0 208619.200581066 949434.144577975 2474796.16354299 134819.76624284 9734255.869237 44127004.7312067 2331871.77501177 10323628.6236923 kana02_ID332 kana02_cmb_ID300 U 2056.4 913.05 Win051_C01 301 FALSE 0 0 6327615286.15481 6344215749.05813 6134968110.37196 7665217541.86788 8107261104.06451 4202811117.04084 7164764678.31503 7049065912.62519 kana02_ID333 kana02_cmb_ID301 U 2057.4 913.52 Win051_C02 302 FALSE 0 0 11220483.0766193 21754162.491014 14298671.6603691 7446236.66669649 17835464.660568 24420675.7485684 19578751.3880954 31832339.5232203 kana02_ID334 kana02_cmb_ID302 U 2061.7 915.14 Win051_C03 303 FALSE 0 0 71703822.7425168 79238150.7382177 35087912.8192633 59711167.833209 74249010.9878895 44859161.4267829 135384857.418469 125215150.936269 kana02_ID335 kana02_cmb_ID303 I N-Acetyl-D-glucosamine_4TMS 2067.5 917.33 Win051_C04 304 N-Acetyl-D-glucosamine_4TMS TRUE 0 0 522305492.568198 195777130.297256 3668449.80551224 12507931.2951786 31860.6695864959 67910842.9593033 14941222.9386041 3561267.73433585 kana02_ID337 kana02_cmb_ID305 U 2084.4 923.74 Win051_C06 306 FALSE 0 0 123302156.991924 212271290.897433 87847989.6562746 15718845.3007491 1724886.12917915 281928847.939817 9667101.64632646 14241779.1977693 kana02_ID338 kana02_cmb_ID306 U 2093.1 927.03 Win052_C01 307 FALSE 0 0 1781905.91615974 340446.753609745 3870131.70112933 16882884.1307929 2487723.65336994 127408.066415412 316347.8123194 116848.322796347 kana02_ID339 kana02_cmb_ID307 U 2093.6 927.19 Win052_C02 308 FALSE 0 0 2405176805.36131 3683973353.40208 2751061529.84709 3022085467.08001 12033990642.3934 2969521927.0422 8962032871.84948 11848490768.0946 kana02_ID340 kana02_cmb_ID308 U 2094.4 927.53 Win052_C03 309 FALSE 0 0 2568391.57717267 1226178.3928464 2639571.99531744 3971790.21535024 36594658.1365444 0 27536776.4746246 17063912.0683174 kana02_ID341 kana02_cmb_ID309 M1 M000000_A211001-101_MST_2105.7_EITTMS_ 2100.8 929.85 Win052_C04 310 TRUE 0 0 437407923.344015 840919437.262321 691324652.234955 290984354.523623 791508353.870374 1430804805.14708 752923195.605641 1274219251.7977 kana02_ID342 kana02_cmb_ID310 U 2101.1 929.95 Win052_C05 311 FALSE 0 0 0 1124856.82819721 2610780.65727274 23307457.4495415 1437217.19822119 134161.687652569 927748.549402959 268696.261402504 kana02_ID343 kana02_cmb_ID311 M1 M000000_A212001-101_MST_2117.2_EITTMS_ 2105.2 931.48 Win052_C06 312 TRUE 0 0 601166271.702573 599661931.69504 603135856.23091 850235117.210252 1882210499.5095 626869069.198558 1448612830.81888 1417903327.35914 kana02_ID344 kana02_cmb_ID312 U 2108 932.47 Win052_C07 313 FALSE 0 0 51096756.969027 35725034.032326 47442793.7810328 85748801.711108 106747260.939849 37520741.2097425 78302133.1705317 59876984.0096147 kana02_ID345 kana02_cmb_ID313 M1 M000000_A214003-101_MST_2134.3_EITTMS_ 2113.8 934.63 Win053_C01 314 TRUE 0 0 87961984.6649457 79909010.9010806 80597942.7071038 123725570.887822 106819949.872579 38840494.644133 88316090.3666624 80052765.6049898 kana02_ID346 kana02_cmb_ID314 M1 M000000_A211001-101_MST_2105.7_EITTMS_ 2120.7 937.12 Win053_C02 315 TRUE 0 0 193092782.674781 931021476.021397 40239242.9613726 157797774.173768 8071375.60051075 98831.0566399737 23241926.0096409 44801273.5000957 kana02_ID347 kana02_cmb_ID315 U 2122.4 937.65 Win053_C03 316 FALSE 0 0 9889824.33056942 1320099.69788253 1459337.04798174 20799600.0883902 14174119.2275876 6277207.20616632 33839664.0505712 6201605.04227285 kana02_ID348 kana02_cmb_ID316 U 2126.8 939.28 Win053_C04 317 FALSE 0 0 333923.298424622 52047.2449530365 10533.903994007 557907.939576613 1519599.69904027 150738.959158437 11783213.0928685 1740015.29902684 kana02_ID349 kana02_cmb_ID317 M1 M000000_A214003-101_MST_2134.3_EITTMS_ 2127.6 939.58 Win053_C05 318 TRUE 0 0 671922190.732598 3095238168.73269 66856413.3071098 123952942.061335 6183618.25744404 3836612.43032719 88857060.9391434 155589206.116634 kana02_ID350 kana02_cmb_ID318 U 2137 943.03 Win054_C01 319 FALSE 0 0 967022.507445426 1870818.60295036 718002.839112343 343033.083583423 0 344916.260521445 166725.163652222 250674.271422272 kana02_ID351 kana02_cmb_ID319 U 2139.5 943.86 Win054_C02 320 FALSE 0 0 119004.546280979 127361.838477578 33708.8200767483 46184.2250590826 360654.819144559 1346535.33063495 1676489.18466292 1417089.0149658 kana02_ID352 kana02_cmb_ID320 U 2141.5 944.62 Win054_C03 321 FALSE 0 0 7891142.70399973 8933069.07327384 2462512.36380487 1701342.20416727 365188.832238767 9028897.62175842 2463000.45844346 2278273.03299168 kana02_ID353 kana02_cmb_ID321 U 2160 951.26 Win054_C04 322 FALSE 0 0 610933.049948434 434001.653048479 3012830.58226994 744455.42758723 4269334.19757754 32605154.5164713 1320754.15289011 1478985.06536684 kana02_ID354 kana02_cmb_ID322 M2 "PR_MST_Sugar (Hexose, aldose)_2162.2" 2162.2 952.06 Win054_C05 323 "PR_MST_Sugar (Hexose, aldose)_2162.2" TRUE 0 0 154162886.690072 519294713.120539 150453688.976268 96745897.1608914 1007185.32128347 399414.334520297 1314137.50901588 2854029.80291018 kana02_ID355 kana02_cmb_ID323 M2 "PR_MST_Sugar (Hexose, aldose)_2163.6" 2163.6 952.59 Win054_C06 324 "PR_MST_Sugar (Hexose, aldose)_2163.6" TRUE 0 0 29054536.1739879 44398739.6315181 28632698.194842 16404002.9301676 1135114.06328963 3015982.46269169 1699394.8712686 2279667.93203079 kana02_ID356 kana02_cmb_ID324 M2 "PR_MST_Sugar (Hexose, aldose)_2168.6" 2168.6 954.35 Win055_C01 325 "PR_MST_Sugar (Hexose, aldose)_2168.6" TRUE 0 0 3098865.01404325 1068782.50931086 620477.258081518 3510735.25748467 170591.97403883 124045.664729919 489900.364162515 178956.912171551 kana02_ID357 kana02_cmb_ID325 U 2172.5 955.81 Win055_C02 326 FALSE 0 0 7171.32931551482 21193.685163058 11340.1879402346 2046.01253088426 879889.596948287 10254952.3268748 1523883.49579405 3540758.85727395 kana02_ID358 kana02_cmb_ID326 U 2175.2 956.81 Win055_C03 327 FALSE 0 0 1310703.61068708 206284.919110762 390889.120739219 1201293.59265278 260871.78906147 2867820.40295361 719912.777063612 178090.672634227 kana02_ID359 kana02_cmb_ID327 U 2176.6 957.34 Win055_C04 328 FALSE 0 0 115184.657052021 550507.108498592 536451.537707201 75841.1320110479 395134.538070519 476558.814350464 172304.272581677 644748.544178727 kana02_ID360 kana02_cmb_ID328 M1 M000000_A236001-101_MST_2360.7_EITTMS_ 2176.9 957.44 Win055_C05 329 TRUE 0 0 175411294.546938 283675465.706154 430328558.637277 321283415.273672 1794759.48229737 309493.21360559 606269.555581903 952385.584426007 kana02_ID361 kana02_cmb_ID329 U 2185.2 960.39 Win055_C06 330 FALSE 0 0 47024.2253497332 210121.005060799 47392.8803515407 14264.1022629512 6339.50767294706 15364.5559304514 13647.084585067 37121.7636497981 kana02_ID362 kana02_cmb_ID330 U 2189.9 962.05 Win055_C07 331 FALSE 0 0 569401.379334862 311532.897745293 1943846.13956693 870240.020244846 231755.614406779 904586.684960499 78783.3315873199 68499.7831564373 kana02_ID363 kana02_cmb_ID331 U 2190.7 962.42 Win055_C08 332 FALSE 0 0 1436407.71994541 2407928.78365069 1245582.41797119 1795144.09118993 7734670.74928128 1150740.28324594 6892050.39606505 9091944.4614567 kana02_ID364 kana02_cmb_ID332 U 2191.5 962.72 Win055_C09 333 FALSE 0 0 758792.819920029 407319.663162393 2010273.75907975 1126523.74825243 284558.99747036 921624.044123574 117049.528902199 95497.7678256534 kana02_ID365 kana02_cmb_ID333 A2 "Tryptophan, DL- (3TMS)" 2211.6 969.82 Win056_C01 334 "Tryptophan, DL- (3TMS)" TRUE 153-94-6|61445-27-0|55429-28-2|6912-86-3|54-12-6|73-22-3|7537-04-4 l-tryptophane 1093844000.96795 1111914651.74378 555385614.120615 840517726.814006 248963568.4078 239999678.037815 473794694.354205 421345460.985094 kana02_ID366 kana02_cmb_ID334 U 2212.5 970.09 Win056_C02 335 FALSE 0 0 226773289.341497 184979297.601057 213187469.083318 191154031.708306 170809422.794756 407361653.625898 205633022.133046 180706299.889039 kana02_ID367 kana02_cmb_ID335 U 2212.8 970.19 Win056_C03 336 FALSE 0 0 65463195.9214979 39041867.9522645 1141614.86695059 6521922.86236996 320172.433047186 8949537.81315839 27238840.2891601 9641341.61098237 kana02_ID368 kana02_cmb_ID336 U 2223.1 973.81 Win057_C01 337 FALSE 0 0 4591062.1597952 248447.626861171 1680057.58007718 18650717.8594127 25516696.479874 25204524.8510918 21986982.3417025 2681867.22333495 kana02_ID369 kana02_cmb_ID337 U 2224.6 974.27 Win057_C02 338 FALSE 0 0 3036289.32394148 1916073.98151418 451781.446272425 522877.070006768 71609.9402415056 4534673.43627956 977525.689898505 545476.616201186 kana02_ID370 kana02_cmb_ID338 U 2235 977.89 Win057_C03 339 FALSE 0 0 1029015.65417124 719394.418001918 1569846.18377387 1935340.42002245 2774298.79511772 1259821.84835063 1346290.30671321 1135537.41743835 kana02_ID371 kana02_cmb_ID339 U 2236.4 978.42 Win057_C04 340 FALSE 0 0 19970830.6139131 233665.871362532 12113.804598657 6845616.84212348 87665.6043405475 1594784.52930986 37377648.6056101 528540.283822348 kana02_ID372 kana02_cmb_ID340 U 2238.1 978.95 Win057_C05 341 FALSE 0 0 17951490.05654 48835666.8002031 20334274.762831 5965198.37336207 7531014.35124492 41801921.6147822 14598122.645723 29758882.9524941 kana02_ID373 kana02_cmb_ID341 U 2245.6 981.64 Win057_C06 342 FALSE 0 0 107736.163511531 33715.6997721114 66818.2724904216 178191.101416983 385763.532627343 415778.643172776 398734.022876933 170243.553672757 kana02_ID374 kana02_cmb_ID342 U 2246.5 981.94 Win057_C07 343 FALSE 0 0 1561938.4789665 2094218.76700221 17489.6641509072 21000.9760516648 357.5237996516 707902.202850686 171165.277706724 102682.602107839 kana02_ID375 kana02_cmb_ID343 U 2260.9 986.92 Win058_C01 344 FALSE 0 0 1330427.01353423 1988931.05582831 1782547.59592246 1106718.83085269 475870.580799655 561120.915763824 435811.460350658 601380.779975322 kana02_ID376 kana02_cmb_ID344 U 2261.4 987.09 Win058_C02 345 FALSE 0 0 616200.201455496 0 86742.6984437397 5369464.71815161 176901.511683231 5348.82972020652 162582.804776223 14785.4769599265 kana02_ID377 kana02_cmb_ID345 M1 M000000_A228001-101_MST_2277_EITTMS_ 2263.2 987.65 Win058_C03 346 TRUE 0 0 6152562622.24054 5127772949.44198 5787321596.69013 8678766495.22813 10600356461.4414 4674272250.51991 8656134083.09127 7477983170.04605 kana02_ID378 kana02_cmb_ID346 U 2266.9 989.01 Win058_C04 347 FALSE 0 0 67241977.2729808 46707309.7235486 31784510.7245459 56830999.115868 57500391.7039732 78953627.22656 110192646.993284 75796003.2763261 kana02_ID379 kana02_cmb_ID347 U 2277.6 992.7 Win059_C01 348 FALSE 0 0 35088490.9138181 25303613.5743053 40062834.1906011 39115647.7686068 42259539.1491554 66947749.7413834 36657897.2849493 30583419.9871915 kana02_ID380 kana02_cmb_ID348 U 2280.4 993.66 Win059_C02 349 FALSE 0 0 7623102.3450087 7987879.66662974 12181986.4794099 5738642.04998955 891001.973148972 3620417.27567478 805973.585289244 931557.11711688 kana02_ID381 kana02_cmb_ID349 U 2285.3 995.39 Win059_C03 350 FALSE 0 0 9516636.94660143 10833848.4638849 4208950.41135831 9183733.99118205 1748593.27631653 548146.122000721 3044392.17792756 2783033.11365049 kana02_ID382 kana02_cmb_ID350 M2 "PR_MST_Sugar (Hexose, aldose)_2286.5" 2286.5 995.75 Win059_C04 351 "PR_MST_Sugar (Hexose, aldose)_2286.5" TRUE 0 0 909491.994700127 15465457.6466693 2332156.51290491 990692.316923255 1167864.24649725 11056.6660538256 466631.641261443 3282134.33014582 kana02_ID383 kana02_cmb_ID351 I Fructose-6-phosphate (1MEOX) (6TMS) 2289.1 996.65 Win059_C05 352 Fructose-6-phosphate (1MEOX) (6TMS) TRUE 643-13-0|55530-74-0|26177-86-6 d-fructose-6-phosphate 44707118.0797696 37599194.0658703 60450174.6301011 52351781.9208066 136794055.538285 169120114.171159 101008075.713248 95791010.7525495 kana02_ID384 kana02_cmb_ID352 I Glucose-6-phosphate (1MEOX) (6TMS 2292 997.68 Win059_C06 353 Glucose-6-phosphate (1MEOX) (6TMS TRUE 0 0 10299205.1867939 13813604.8472468 17406502.4617771 8262934.79318414 64080706.597244 140311546.81599 52193322.6809998 70871599.8702545 kana02_ID385 kana02_cmb_ID353 I Glucose-6-phosphate (1MEOX) (6TMS 2302.7 1000.93 Win060_C01 354 Glucose-6-phosphate (1MEOX) (6TMS TRUE 0 0 244310240.974805 160256259.998235 260311145.471 377115769.37112 814048691.762236 503190232.651414 583583472.856358 443796572.868591 kana02_ID387 kana02_cmb_ID354 U 2321.9 1007.8 Win060_C03 355 FALSE 0 0 6740482.94827756 71345175.8047171 42440840.6004822 16121231.2225713 9980819.76180018 59546.2779750122 1270705.39442688 7685468.15582312 kana02_ID388 kana02_cmb_ID355 U 2323.4 1008.33 Win060_C04 356 FALSE 0 0 8234399.81904133 455382.039623755 2877032.78711378 43640637.6164852 102877086.084526 39273171.5037208 74744001.2674984 9007336.17591786 kana02_ID389 kana02_cmb_ID356 U 2336.3 1012.58 Win061_C01 357 FALSE 0 0 1645779.9800582 269819.476446731 2401649.71810856 6169667.70107925 51883325.6841423 42340949.5216774 17405926.0238687 5680238.25981846 kana02_ID390 kana02_cmb_ID357 U 2347.7 1016.4 Win061_C02 358 FALSE 0 0 7302230.95869274 9990981.35325058 4366607.25862636 8822309.97750025 2740843.71566958 425524.780921707 3254950.90428368 3507087.1052326 kana02_ID391 kana02_cmb_ID358 M2 "PR_MST_Sugar (Pentose, aldose)_2351.9" 2351.9 1017.8 Win061_C03 359 "PR_MST_Sugar (Pentose, aldose)_2351.9" TRUE 0 0 109954057.525384 174218936.306813 115162976.649101 72707733.23481 68274140.1351794 109988837.550487 86958117.1222869 119716296.251136 kana02_ID392 kana02_cmb_ID359 M2 "PR_MST_Sugar (Pentose, aldose)_2354" 2354 1018.49 Win061_C04 360 "PR_MST_Sugar (Pentose, aldose)_2354" TRUE 0 0 150235189.947452 118073144.708734 26801643.7238686 256083666.485668 19409869.1918632 656764.102744329 41397866.0643201 24005103.3430072 kana02_ID393 kana02_cmb_ID360 M2 "PR_MST_Sugar (Pentose, aldose)_2355.5" 2355.5 1018.99 Win061_C05 361 "PR_MST_Sugar (Pentose, aldose)_2355.5" TRUE 0 0 2125906.29638357 5426659.43466208 9260988.24749185 4188740.04513118 19626665.4741101 2241325.84424221 4139465.75878871 9700089.45148987 kana02_ID394 kana02_cmb_ID361 M1 M000000_A237002-101_MST_2370.2_EITTMS_ 2374.4 1025.33 Win062_C01 362 TRUE 0 0 15601592.4351625 6538700.09433265 8479447.02128642 33626655.3510505 4775105.44992349 1054685.56210281 4311145.26895032 2112077.05565363 kana02_ID395 kana02_cmb_ID362 M1 M000000_A237002-101_MST_2370.2_EITTMS_ 2377.4 1026.26 Win062_C02 363 TRUE 0 0 2683720.0085674 3193.74712027747 46846.9842606283 84730932.042352 310409.739871227 17477.343409317 585269.47289379 3117.84075382849 kana02_ID396 kana02_cmb_ID363 M1 M000000_A237002-101_MST_2370.2_EITTMS_ 2377.7 1026.43 Win062_C03 364 TRUE 0 0 1216854336.80387 692038492.003409 653604367.209961 2551855223.73346 681455286.743392 88908909.2302802 617305982.634371 365127239.821579 kana02_ID397 kana02_cmb_ID364 M1 M000000_A237002-101_MST_2370.2_EITTMS_ 2380.4 1027.32 Win062_C04 365 TRUE 0 0 26288006.4554276 46302455.7819217 19967451.7178987 16409134.4656236 198698.297824056 209301.635277001 0 446390.133989258 kana02_ID398 kana02_cmb_ID365 M1 M000000_A237002-101_MST_2370.2_EITTMS_ 2385.2 1028.85 Win062_C05 366 TRUE 0 0 139451853.221788 445149196.662281 54176634.768095 125951844.976999 67762141.5018351 2948870.57436844 124130086.813288 210072819.903597 kana02_ID399 kana02_cmb_ID366 M1 M000000_A237002-101_MST_2370.2_EITTMS_ 2385.8 1029.12 Win062_C06 367 TRUE 0 0 7122594.68470968 585498.169766406 7125481.40682974 40402118.97551 56790846.2303706 29824739.7003537 18959448.5603668 3633279.85632681 kana02_ID400 kana02_cmb_ID367 M1 M000000_A241001-101_MST_2406.9_EITTMS_ 2386.4 1029.32 Win062_C07 368 TRUE 0 0 557043.412739564 2523961.45861641 3429045.51804161 2813980.0131822 58189724.3725073 163432.258218859 4601416.97390725 15656622.6817133 kana02_ID401 kana02_cmb_ID368 M1 M000000_A241001-101_MST_2406.9_EITTMS_ 2388.8 1030.11 Win062_C08 369 TRUE 0 0 28581494.5307337 44694918.420854 30706840.0122164 23182834.458077 4949591.25466259 4395416.70189162 5324624.3186686 7222058.17070931 kana02_ID402 kana02_cmb_ID369 U 2392.4 1031.31 Win063_C01 370 FALSE 0 0 631344.877325056 2978423.6467923 5960230.5664123 150720.133460455 125.239822217065 9606.5963007528 73.3803257410897 335.815543661138 kana02_ID403 kana02_cmb_ID370 U 2400.3 1033.9 Win063_C02 371 FALSE 0 0 112410.147540458 186844.547665114 57520.2380872511 46222.2640955948 90234.1206050089 247008.811125789 262246.43891725 328852.772147726 kana02_ID404 kana02_cmb_ID371 U 2403.1 1034.83 Win063_C03 372 FALSE 0 0 1988197.02314449 686054.501003389 869898.622773397 3008063.59605367 840353.538922848 642858.350127305 1159744.70557471 491316.302640872 kana02_ID405 kana02_cmb_ID372 U 2404.9 1035.36 Win063_C04 373 FALSE 0 0 2320893.23663484 2341162.21165839 78647.4448719265 811180.44431112 83.3380470964765 0 1709.66232438572 895.292781248064 kana02_ID406 kana02_cmb_ID373 U 2421.2 1040.57 Win063_C05 374 FALSE 0 0 400540.892463251 197579.543230528 51445.2570117126 1000531.46446532 88964.4243590386 1467.97696150057 183846.52488114 72841.034612581 kana02_ID407 kana02_cmb_ID374 U 2432.2 1044.06 Win064_C01 375 FALSE 0 0 2315978.52264415 1348802.11409693 7733043.52778694 5394342.50581837 14135.2637488809 12339.5208326944 3537.15484140365 3103.43270360572 kana02_ID408 kana02_cmb_ID375 U 2433.1 1044.42 Win064_C02 376 FALSE 0 0 14060481.6036384 8433152.29481576 3070986.97323461 97156573.0693894 17108673.0861305 14424.6887032701 11429945.6108258 5383635.0546971 kana02_ID409 kana02_cmb_ID376 U 2435.6 1045.15 Win064_C03 377 FALSE 0 0 1826207.6703572 1682013.66217002 425250.654569331 673337.036669418 496845.681189558 2297091.15641902 2765005.50662749 2049372.14381529 kana02_ID410 kana02_cmb_ID377 U 2446.3 1048.57 Win064_C04 378 FALSE 0 0 19378542.3741374 19997979.6460829 17668594.3627198 18227831.0381442 25952672.3534683 26438698.1393271 28805320.1777249 28910287.9342253 kana02_ID411 kana02_cmb_ID378 U 2465.1 1054.58 Win064_C05 379 FALSE 0 0 1147877.32166239 1175088.17869758 1056888.39982948 2399727.97355264 909906.570414533 74143.7319755738 551723.083793742 526572.265025726 kana02_ID412 kana02_cmb_ID379 M1 M000000_A250001-101_MST_2495.5_EITTMS_ 2475.1 1057.77 Win065_C01 380 TRUE 0 0 233391084.343365 430718239.108188 430996242.475374 694454035.020782 16842322.1662686 333023.314528172 4718312.14403122 7361145.01343352 kana02_ID413 kana02_cmb_ID380 M1 M000000_A250001-101_MST_2495.5_EITTMS_ 2477.6 1058.6 Win065_C02 381 TRUE 0 0 20275688.1581069 21012538.3315273 7479520.00438498 31101640.5956335 3433164.77414198 234386.095666724 4796710.21150501 3873361.9935732 kana02_ID414 kana02_cmb_ID381 M2 PR_MST_Sugar (O-Methyl)_2483.8 2483.8 1060.59 Win065_C03 382 PR_MST_Sugar (O-Methyl)_2483.8 TRUE 0 0 29359747.9714168 36923948.3182017 36225611.8938737 28761030.2827981 19986510.1099108 17697951.7036962 17340883.4461263 20921999.4117738 kana02_ID415 kana02_cmb_ID382 U 2490.1 1062.55 Win065_C04 383 FALSE 0 0 21282140.2097025 18402793.4622794 13620096.5872032 18795671.2664092 2632825.63632312 2983427.27560118 3926097.08786839 3289193.80966706 kana02_ID416 kana02_cmb_ID383 U 2496.7 1064.67 Win065_C05 384 FALSE 0 0 73468316.5876137 449449110.551849 98376257.2769452 16027518.5095581 53687195.8415494 287367942.179356 119559656.897477 427876564.728056 kana02_ID417 kana02_cmb_ID384 U 2511.8 1069.39 Win066_C01 385 FALSE 0 0 29699210.0376891 25826885.9568659 1373627.86420559 8300657.54703326 8685.19903569764 14466.0735549039 173683.996610538 89770.8822018958 kana02_ID418 kana02_cmb_ID385 U 2513.5 1069.85 Win066_C02 386 FALSE 0 0 72850.5710076763 1428170.15809948 4185766.73420279 40304.3138138292 579403.884251232 1762215.07383388 48856.0388244237 753330.642922368 kana02_ID419 kana02_cmb_ID386 U 2516.7 1070.92 Win066_C03 387 FALSE 0 0 24810315.2874172 22362422.4198245 19542243.8905096 41553598.8142398 18216660.0663988 3186409.6288522 14609884.0253626 12632799.7068131 kana02_ID420 kana02_cmb_ID387 U 2519.6 1071.75 Win066_C04 388 FALSE 0 0 1746139.21182625 537762.46693475 476807.042160391 1185619.04893425 95613.9985997182 657659.330557511 331481.605851313 124235.813058174 kana02_ID421 kana02_cmb_ID388 U 2521.9 1072.48 Win066_C05 389 FALSE 0 0 2931692.19424787 4898153.0370088 286820.806659491 1383259.79051123 14641.6482861049 3233.77943932935 114324.996559678 100593.072080172 kana02_ID422 kana02_cmb_ID389 U 2526.8 1073.97 Win066_C06 390 FALSE 0 0 641241.586771022 614466.747055646 183933.63248435 460420.987066901 285190.148302316 187876.254969205 836446.093241447 638223.193423941 kana02_ID423 kana02_cmb_ID390 U 2529.7 1074.9 Win066_C07 391 FALSE 0 0 2127771.28366491 1937470.36668385 4031196.77516667 4282395.81830811 5367864.81838834 1531380.72257382 2100157.02490235 2175675.72168585 kana02_ID424 kana02_cmb_ID391 U 2532.3 1075.73 Win066_C08 392 FALSE 0 0 17703162.23291 20442251.7749524 17913487.9002785 10312348.4198149 42505.6425740101 183096.646342936 62503.7140462985 70737.9661286004 kana02_ID425 kana02_cmb_ID392 U 2532.9 1075.93 Win066_C09 393 FALSE 0 0 910599.296205544 1268294.02213432 67255.5120638206 2424433.2596626 2002757.43661695 1758.90649921519 5221552.64389286 3490335.36375407 kana02_ID426 kana02_cmb_ID393 U 2536.8 1077.06 Win066_C10 394 FALSE 0 0 839055.56148607 548528.841867963 375139.037964949 796113.273000969 680901.137369303 678630.616931718 1247406.29310303 811123.955769344 kana02_ID427 kana02_cmb_ID394 M2 "PR_MST_Sugar (Hexose, aldose)_2550.2" 2550.2 1081.21 Win067_C01 395 "PR_MST_Sugar (Hexose, aldose)_2550.2" TRUE 0 0 88127895.4472178 79049669.0313274 58525700.3364751 109225056.132205 3774542.18747824 1410528.93376034 4247778.44434783 3596026.38519307 kana02_ID428 kana02_cmb_ID395 M2 PR_MST_Polyol (Tetraol)_2560.2 2560.2 1084.26 Win067_C02 396 PR_MST_Polyol (Tetraol)_2560.2 TRUE 0 0 4834297.23668365 3990846.82873817 3013712.47338218 8783636.05207919 14238451.407382 1702953.73367514 12626458.4727306 9793351.58543104 kana02_ID429 kana02_cmb_ID396 U 2565.4 1085.92 Win067_C03 397 FALSE 0 0 103935947.419615 210770375.643572 95221693.0129563 107619715.714871 20763828.7877376 4155210.18037148 20227511.7174299 30718823.1979512 kana02_ID432 kana02_cmb_ID399 U 2585.9 1092.2 Win067_C06 400 FALSE 0 0 2543.41146605999 278.07948655435 20.5778668396006 3134.57555811175 65178.2980752698 6268.16876682768 1604413.00671595 145271.274771915 kana02_ID433 kana02_cmb_ID400 U 2589.5 1093.29 Win068_C01 401 FALSE 0 0 8407618.05887036 12025434.922824 7315521.44272051 6234144.11785024 242582.481414787 262769.190866727 323152.917491656 398778.450486629 kana02_ID434 kana02_cmb_ID401 U 2619.1 1102.22 Win069_C01 402 FALSE 0 0 5224031764.97171 11937040423.1863 8578799974.69286 4186844381.78321 23967839444.0527 17846008961.4086 19061734710.1782 35800300924.3417 kana02_ID435 kana02_cmb_ID402 U 2620.4 1102.59 Win069_C02 403 FALSE 0 0 287401829074.026 337078739404.394 381959308476.871 286483604881.062 305159780118.316 321643352570.518 250254997955.703 293414646991.88 kana02_ID437 kana02_cmb_ID404 M1 M000000_A307002-101_MST_3068_EITTMS_ 2624.5 1103.75 Win069_C04 405 TRUE 0 0 91010736958.8228 62390413015.212 55217805256.1658 109279408472.69 121694907664.574 76208468057.9738 152174731563.05 107184758432.4 kana02_ID438 kana02_cmb_ID405 U 2661.9 1114.87 Win070_C01 406 FALSE 0 0 15486117.7605575 9324228.06198972 640229.502750721 63337743.2050052 117891226.978366 65935.8692725503 349934352.660451 119933621.617763 kana02_ID439 kana02_cmb_ID406 U 2663.3 1115.27 Win070_C02 407 FALSE 0 0 23003475.6258951 10943555.0365442 199734028.404204 38681140.4590669 6846526.38443499 83178372.5175881 1183556.06475871 1142697.41986008 kana02_ID440 kana02_cmb_ID407 U 2666.3 1116.23 Win070_C03 408 FALSE 0 0 5171963.89823342 93511306.9396001 418925177.94005 16850531.162351 57172647.6986086 1079475.42488551 1023897.6524559 14532588.4202495 kana02_ID441 kana02_cmb_ID408 U 2680.5 1120.35 Win070_C04 409 FALSE 0 0 4705239.72628092 3097562.11447058 2891530.92085078 3157065.97530943 3040337.08543426 13469092.2296217 5851281.59948981 4171612.7283299 kana02_ID442 kana02_cmb_ID409 U 2681.8 1120.75 Win070_C05 410 FALSE 0 0 307758.905764292 2564746.33969897 4489666.50666422 288862.551528669 3745535.75340146 2032532.72391463 563155.240327381 3706909.46376801 kana02_ID443 kana02_cmb_ID410 U 2691.3 1123.6 Win071_C01 411 FALSE 0 0 1519583.56819401 3174609.4928026 2889887.66493564 3699576.0642828 2184125.56223241 66709.856965945 690486.861388793 1184605.74146092 kana02_ID444 kana02_cmb_ID411 U 2696 1125 Win071_C02 412 FALSE 0 0 1373773.87398932 6450756.27478082 340062.669380551 650817.496918015 3969.02487495187 362.922342799515 15386.5290336488 31250.8215211416 kana02_ID445 kana02_cmb_ID412 U 2702.9 1126.96 Win071_C03 413 FALSE 0 0 306086.876425899 661984.338704515 909307.347441741 341548.943919962 16187907.5932874 9774103.51647406 6823751.02648644 13764673.7404718 kana02_ID446 kana02_cmb_ID413 U 2712.3 1129.68 Win071_C04 414 FALSE 0 0 99847371.2478037 77268869.5948519 9448649.19113529 94503498.2523401 448932.389649022 46527.2608923986 2264435.33363941 1177991.57419246 kana02_ID447 kana02_cmb_ID414 I "Trehalose, alpha,alpha'-, D- (8TMS)" 2729.5 1134.63 Win072_C01 415 "Trehalose, alpha,alpha'-, D- (8TMS)" TRUE 6138-23-4|99-20-7 d-trehalose 3662217713.63964 2301379852.52615 1871603159.88176 3156078210.03018 138491685.45337 239790652.993207 250469244.797156 164410500.873125 kana02_ID448 kana02_cmb_ID415 U 2733.4 1135.72 Win072_C02 416 FALSE 0 0 2157346.23681338 1153095.13305825 1209281.15086624 2949523.4308199 68673.2285451348 41922.659812941 83775.0040359543 49349.6141316549 kana02_ID449 kana02_cmb_ID416 U 2741.1 1137.88 Win072_C03 417 FALSE 0 0 4840370.95352678 1264884.12735564 2845307.89357602 25867200.1687393 446052173.607346 15059158.393157 201209435.108832 70852054.9312134 kana02_ID450 kana02_cmb_ID417 M1 M000000_A277001-101_MST_2766.1_EITTMS_ 2755.8 1142.1 Win073_C01 418 TRUE 0 0 1018379355.12152 4443429722.10594 507385796.057086 852269563.36088 66750843.9493942 2738619.41596023 107094293.191555 232914263.126418 kana02_ID452 kana02_cmb_ID419 A2 Lactitol (9TMS) 2770.5 1146.31 Win073_C03 420 Lactitol (9TMS) TRUE 585-86-4 1274:lactitol 1320204756.84336 1020350302.41556 878805396.188065 3345236315.0172 660203115.721902 33675029.8899681 439285697.998281 325156896.632067 kana02_ID453 kana02_cmb_ID420 A2 Maltitol (9TMS) 0 1146.41 Win073_C04 421 X_419 X_425 X_426 X_427 X_428 X_429 X_430 X_431 Maltitol (9TMS) TRUE 585-88-6|97906-38-2 maltitol COR_NG:HI 6938902942.17355 5938003454.93118 4756792226.48306 19654719822.5998 3214434610.88385 97519674.9544499 1913576208.84576 1508171022.10175 kana02_ID454 kana02_cmb_ID421 U 2800 1154.68 Win074_C01 422 FALSE 0 0 342707442.575372 29327908.5649413 6052532.79682378 432665221.270248 13903.1849688318 5311.14381112135 204854.397199037 18762.8407132468 kana02_ID455 kana02_cmb_ID422 U 2830.5 1163.08 Win075_C01 423 FALSE 0 0 5315519.87402133 1177317.85790118 2732615.64869755 7053330.72127146 2790754.23106366 9486684.87894955 3961718.55458794 1329388.55855713 kana02_ID456 kana02_cmb_ID423 U 2837 1164.87 Win075_C02 424 FALSE 0 0 8293123.94626219 23696721.2063927 29031478.9972428 4014857.29415015 346187.890620847 2145126.93910946 239384.767348595 624328.213468926 kana02_ID464 kana02_cmb_ID431 U 2891.4 1179.85 Win076_C01 432 FALSE 0 0 110173.184921456 13458.3050924459 56707.6787672987 196126.777219128 738985.014461509 3162362.57776217 882909.018613494 201362.721718989 kana02_ID465 kana02_cmb_ID432 U 2892.9 1180.31 Win076_C02 433 FALSE 0 0 2066072.6651082 342187.298469101 931010.279394197 5221186.93836878 3540311.86724926 2302044.37760788 3463703.86312497 908568.987725041 kana02_ID466 kana02_cmb_ID433 U 2895.1 1180.87 Win076_C03 434 FALSE 0 0 923053.052078768 2616542.69485014 3736451.84742512 17757186.3692501 56271922.3683681 3267.72095009756 2237524.31946351 4812618.04452648 kana02_ID467 kana02_cmb_ID434 U 2896.5 1181.34 Win076_C04 435 FALSE 0 0 1836721.01941591 1761691.99703919 41264.2942719172 281707.999194453 212280.729882864 806229.437276384 10635301.0390561 5197132.99949201 kana02_ID468 kana02_cmb_ID435 U 2912.1 1185.52 Win077_C01 436 FALSE 0 0 466606.497394772 269698.256206634 184539.469755777 1177992.85148366 16856.0109142692 802.947723201941 16239.2044808055 8995.44252313377 kana02_ID469 kana02_cmb_ID436 U 2914 1185.95 Win077_C02 437 FALSE 0 0 193405.057103048 338421.829931109 367520.091722085 696184.48300968 3469457.92917186 42934.1041526523 830497.290857058 1247036.31607466 kana02_ID470 kana02_cmb_ID437 U 2921.8 1188.08 Win077_C03 438 FALSE 0 0 355485.12153949 1547025.67354247 718679.763219915 289952.665228624 291489.431612382 75104.3442643928 189216.801332098 553073.768704551 kana02_ID471 kana02_cmb_ID438 U 2925.9 1189.17 Win077_C04 439 FALSE 0 0 1870649.70894147 3056694.42779429 3384467.28004079 3102134.8110492 2781487.95294378 441447.963441842 1236525.51127357 1844063.59431545 kana02_ID472 kana02_cmb_ID439 U 2932.6 1191.03 Win077_C05 440 FALSE 0 0 34402.527074371 85697.709174439 343173.600863608 188322.675466176 9080337.50274078 116707.864547272 516302.683836469 1335984.0052787 kana02_ID473 kana02_cmb_ID440 U 2933.4 1191.2 Win077_C06 441 FALSE 0 0 4987784.60498772 1541991.66875085 890821.478693719 5516042.09616389 6982.54510068561 5893.74962836141 22215.8976899845 7412.82785588507 kana02_ID474 kana02_cmb_ID441 U 2944.2 1194.12 Win078_C01 442 FALSE 0 0 0 0 0 0 1484.79973758226 204653.244289269 43491.7753867416 10375.6411463175 kana02_ID475 kana02_cmb_ID442 U 2945.7 1194.45 Win078_C02 443 FALSE 0 0 0 0 0 31882.6768843485 0 0 0 2128776.90555577 kana02_ID476 kana02_cmb_ID443 U 3003.8 1210.12 Win079_C01 444 FALSE 0 0 590188963.181513 982496005.835446 21088697.0083019 2225979124.61069 239392569.924089 19633.7199270675 0 479948785.777057 kana02_ID477 kana02_cmb_ID444 U 3008.5 1211.39 Win079_C02 445 FALSE 0 0 17241885.6535798 3989731.08339339 145984.260566669 10307422.3941125 1418030.51218221 334838.069852545 54801749.3298991 8324615.75903141 kana02_ID478 kana02_cmb_ID445 M1 M000000_A251003-101_MST_2507.9_EITTMS_ 3014.2 1213.01 Win079_C03 446 TRUE 0 0 222519008.517718 282731331.85219 378930613.729162 317693393.936842 1161981685.32675 452243214.08669 614011938.573761 780384597.051358 kana02_ID479 kana02_cmb_ID446 U 3033.3 1218.26 Win080_C01 447 FALSE 0 0 3099506.26665844 2305584.70528887 312199.953485231 535883.083734104 2035.35989225611 56593.8984286976 35357.881950114 20115.9498108958 kana02_ID480 kana02_cmb_ID447 U 3035.8 1219.02 Win080_C02 448 FALSE 0 0 133705.65409627 121279.995915392 157017.099172761 558488.279487203 971146.913644498 14869.5735666086 301445.755933252 269679.12982838 kana02_ID481 kana02_cmb_ID448 U 3044.8 1221.45 Win080_C03 449 FALSE 0 0 592395.454782532 654759.077364195 581015.913560104 636763.760478034 10876.9739097245 6923.64622477924 10351.2817969866 10922.1752475517 kana02_ID482 kana02_cmb_ID449 U 3193.3 1265.07 Win085_C01 450 FALSE 0 0 1026.58869720139 22.0560839542112 381.114597632661 8196.54289683965 1655.2125619171 1176.51313312043 918.094632152956 60.8559712581097 kana02_ID483 kana02_cmb_ID450 U 3204.1 1268.52 Win085_C02 451 FALSE 0 0 99.7841475957496 4998.66885654937 17970.6805675787 47.9566158778122 3382.81324477695 10662.0840543788 138.124944829537 4890.70401676432 kana02_ID484 kana02_cmb_ID451 U 3234.9 1278.98 Win087_C01 452 FALSE 0 0 9475.87205215021 34519.9668545835 32835.3999833631 4356.09061900293 84009.3485308957 376451.732214824 59601.0066252662 180873.19764694 kana02_ID485 kana02_cmb_ID452 U 3248.7 1283.7 Win087_C02 453 FALSE 0 0 17714.0506688237 11360.7464705614 72.9028756864857 12285.8452523477 2257.70595295637 18.1889673062758 115593.931373659 28122.3901890976 kana02_ID486 kana02_cmb_ID453 U 3249 1283.76 Win087_C03 454 FALSE 0 0 1601.06488005361 1111.97470572105 1899.82187791468 4280.3273500949 13424.8846382516 1465.27977754143 5910.74643022687 4611.36439898177 kana02_ID487 kana02_cmb_ID454 U 3249.6 1283.99 Win087_C04 455 FALSE 0 0 1414.79956081877 66.3328513955801 713.291381829765 18058.0938379027 1556.06174178619 78.1542180889236 465.441524252548 51.9278934815446 kana02_ID488 kana02_cmb_ID455 U 3255.2 1285.92 Win087_C05 456 FALSE 0 0 1630916.34461831 1215350.81707995 59194.3335017607 816769.784971273 508.575795015451 131.235053520609 7805.33986775332 3364.59222190758 kana02_ID489 kana02_cmb_ID456 U 3271.3 1291.43 Win088_C01 457 FALSE 0 0 14293863.5073728 7828151.43974099 9280598.87112906 42468861.138998 9993476.26976901 584055.220277379 6170739.42543422 3635250.84112793 kana02_ID490 kana02_cmb_ID457 U 3340.9 1316.93 Win090_C01 458 FALSE 0 0 510226.993305954 1308854.2445415 173647.634932705 640557.438510678 69842.4090251547 1380.59010444435 111043.01949498 156489.455137894 kana02_ID491 kana02_cmb_ID458 U 3350.3 1320.48 Win091_C01 459 FALSE 0 0 587715.11845741 793930.910256469 5545998.40335907 4732001.24227857 21536329.3539166 250029.083636608 1000003.4703921 1710310.13430998 kana02_ID492 kana02_cmb_ID459 U 3353.1 1321.61 Win091_C02 460 FALSE 0 0 263577.839424801 46678.860181918 754008.56716269 1463389.64011634 194773383.760513 90224821.7300035 31021437.0436681 11959528.9942355 kana02_ID493 kana02_cmb_ID460 U 3354.4 1322.11 Win091_C03 461 FALSE 0 0 22692848.5843464 20072054.7329389 951942.730222684 18220892.3436582 1646841.06682145 80388.1395293439 15900148.0463973 7642023.90261296 kana02_ID494 kana02_cmb_ID461 U 3357.8 1323.44 Win091_C04 462 FALSE 0 0 746345.390891668 994088.941862686 4930826.81108797 6312801.69064003 54999480.705906 359173.682338016 3117622.55408233 4888034.23190924 kana02_ID495 kana02_cmb_ID462 U 3368.2 1327.42 Win091_C05 463 FALSE 0 0 34284.3726913853 61781.3260108897 24578.2773654209 80205.4956748787 254096.405465934 3482.85257461047 159489.834698406 203660.511120336 kana02_ID496 kana02_cmb_ID463 U 3384.1 1333.46 Win092_C01 464 FALSE 0 0 162377.488527487 196862.459101617 199459.913704757 210604.035650647 422628.521387932 163009.657564493 298873.998175694 346345.971867741 kana02_ID497 kana02_cmb_ID464 U 3403.5 1341.2 Win093_C01 465 FALSE 0 0 6833095.33757167 21191830.4845244 266310.92181442 11260079.4510646 11688.5571913498 4.44826372158607 62361.8553294736 61560.4091605569 kana02_ID498 kana02_cmb_ID465 U 3414.1 1345.88 Win093_C02 466 FALSE 0 0 82.5316464241646 206.473054758813 467.911932698751 103.916779199545 6654.02758130713 4600.15684968512 1652.65855164689 4152.3086263804 kana02_ID499 kana02_cmb_ID466 U 3432.3 1354.01 Win094_C01 467 FALSE 0 0 61437.6021774099 1824.86633226606 41995.1987898452 174283.746435805 863571.224144274 19064420.8254024 677336.215218297 66386.2317930573 kana02_ID500 kana02_cmb_ID467 U 3434.5 1355.04 Win094_C02 468 FALSE 0 0 229.524988025673 529.405821535785 572358.512595292 15179.784592484 1798131.71386752 9231.44492441701 415.501706303991 2836.92645569559 kana02_ID501 kana02_cmb_ID468 U 3436.7 1355.97 Win094_C03 469 FALSE 0 0 133764.985952184 240406.520045959 56463.412488174 15874.2988311418 74133.3038223412 7279436.44379258 617112.90935801 839580.600247799 kana02_ID502 kana02_cmb_ID469 U 3437.4 1356.27 Win094_C04 470 FALSE 0 0 39529.9897508555 54077.5105216546 126489.7016828 38396.9898203199 688937.639330714 1747970.12695492 318535.500679183 0 kana02_ID503 kana02_cmb_ID470 U 3439.9 1357.37 Win094_C05 471 FALSE 0 0 140028.544511359 320237.146412879 16545.7568613258 15664.6411425549 25208.0475935329 379541.908862647 498282.599999068 603719.421610452 kana02_ID504 kana02_cmb_ID471 U 3451.3 1362.45 Win095_C01 472 FALSE 0 0 98101.0729489904 753858.90267508 31457.987588043 5012.70747255987 2200.86799292072 130879.569284136 36682.398449782 121880.696962756 kana02_ID505 kana02_cmb_ID472 U 3452.9 1363.24 Win095_C02 473 FALSE 0 0 8893.13047736908 48360.6312632841 145502.684306915 26099.0202944788 222583.396149126 8415.56213143491 13668.4766708157 66113.7313784266 kana02_ID506 kana02_cmb_ID473 U 3453.6 1363.54 Win095_C03 474 FALSE 0 0 154554.734046776 259647.450684176 508447.530802177 101087.994107789 505816.056111501 3143808.34606457 303736.429594214 552500.603625888 kana02_ID507 kana02_cmb_ID474 U 3458.1 1365.47 Win095_C04 475 FALSE 0 0 94340.6104215849 63313.480964516 9636.24533232366 246971.374080478 13956.7152259023 81.3493410853939 31584.3987563437 14390.7695729173 kana02_ID508 kana02_cmb_ID475 U 3460.1 1366.36 Win095_C05 476 FALSE 0 0 777.525868204558 13002.2814899201 362178.481023836 2638.34232896849 16133.057264408 2774.0634390332 88.9085785950708 1735.27741763445 kana02_ID509 kana02_cmb_ID476 U 3463.5 1367.92 Win095_C06 477 FALSE 0 0 314.634722178648 28370.9367111558 106856.057978867 4851.6940005569 104078.140124577 3.48496745627311 197.853778369214 9387.26206276562 kana02_ID510 kana02_cmb_ID477 U 3478.3 1374.46 Win096_C01 478 FALSE 0 0 644.034962831965 37260.5324236972 449571.111813862 270.928263982683 1254.37759147112 24793.8568565123 22.875442313515 1188.27210009211 kana02_ID511 kana02_cmb_ID478 U 3482.5 1376.39 Win096_C02 479 FALSE 0 0 1920.69565743187 757.26271261083 60459.9613847239 6195.56947249088 564.668759686151 6176.00612038687 25.9977948308898 28.2106610019012 kana02_ID512 kana02_cmb_ID479 U 3492.2 1380.74 Win097_C01 480 FALSE 0 0 255681.098780436 2355.17351074006 22615.4506184305 1960866.02177851 578739.396753704 411042.398882052 913760.880484288 26526.9877294405 kana02_ID513 kana02_cmb_ID480 U 3493.8 1381.44 Win097_C02 481 FALSE 0 0 659051.281839048 249741.221189259 1642156.61944954 1078166.79079113 1854769.88086505 8082412.56025617 760045.73469114 490408.949950619 kana02_ID514 kana02_cmb_ID481 U 3494.9 1381.93 Win097_C03 482 FALSE 0 0 280856.41801587 168942.76581546 595324.225661072 185894.342211854 230185.3112759 5973627.46942693 199151.983967761 174512.99602214 kana02_ID515 kana02_cmb_ID482 U 3501.6 1385.02 Win097_C04 483 FALSE 0 0 5427.04256132597 101632.122971919 292122.325511815 6668.47714122035 16992.9722238734 4062.58793851441 825.508131466902 11639.1125850015 kana02_ID516 kana02_cmb_ID483 U 3513.3 1391.1 Win098_C01 484 FALSE 0 0 26.7464831403773 9647.98525252699 2837.50875286394 11.0476862959393 1481.48757404037 81.120686524411 81.7593322878196 8884.79146016123 kana02_ID517 kana02_cmb_ID484 U 3579.6 1425.59 Win102_C01 485 FALSE 0 0 17.5065593215601 141.332002788348 131.826082211183 31.5670406910466 5611.70555042252 175.838061320235 802.209748996006 4331.68373470743 kana02_ID518 kana02_cmb_ID485 U 3586.9 1429.44 Win102_C02 486 FALSE 0 0 133.447330382421 340009.077846629 23.625853444991 0.47981046528435 0.179295077927645 0.277113494254347 20.1195881153201 2523.10766480667 kana02_ID519 kana02_cmb_ID486 U 3590 1431.04 Win102_C03 487 FALSE 0 0 72.5965670779135 357.707141461911 434.50471027343 33.2804387839006 10272.6211403528 50813.6024033129 4967.50245222233 20406.7729411242 kana02_ID520 kana02_cmb_ID487 U 3595.4 1433.83 Win103_C01 488 FALSE 0 0 786552.402191042 349525.149179591 472007.222742919 1740362.49293888 3162551.6598552 647984.13355412 2609934.40332007 1351828.76483429 kana02_ID521 kana02_cmb_ID488 U 3596.7 1434.52 Win103_C02 489 FALSE 0 0 192585.727297887 221064.732813186 281866.774180321 147954.430509944 107949.332299577 307926.411775278 101156.248640294 121297.362909161 kana02_ID522 kana02_cmb_ID489 U 3598.1 1435.15 Win103_C03 490 FALSE 0 0 117284.853357492 195054.107152066 348758.136619405 195960.424452224 2470111.48553105 687853.129210025 785539.308535006 1314783.15861501 kana02_ID523 kana02_cmb_ID490 U 3602.9 1437.68 Win103_C04 491 FALSE 0 0 12600.6821574326 298998.983079551 4899.69679369006 283.336189139686 57.363797950386 6548.26889565474 1420.56158444089 10384.5064679436 RDA_kana02_ID535 RDA_kana02_cmb_ID012 I Proline RI:1290-1296 Proline M/z:142 + 216 RI:1290-1296 503 Proline TRUE 609-36-9|344-25-2|7364-47-8|147-85-3 l-proline 534932970.989841 656618144.732759 822577727.380245 792737058.275148 1571702290.35898 511494411.07641 866328870.298163 1052448018.99222 RDA_kana02_ID537 RDA_kana02_cmb_ID014 I Pyroglutamate RI:1513-1520 Pyroglutamate M/z:156 + 258 RI:1513-1520 505 Pyroglutamate TRUE 30274-77-2|213608-51-6|98-79-3|4042-36-8|16891-48-8 l-5-oxoproline 2152130269.77684 1992970683.89934 2382728661.13486 2681185414.76531 3858800534.35587 2523178539.24412 3079223429.91684 2960885301.8143 RDA_kana02_ID539 RDA_kana02_cmb_ID016 I Glucose1 0 Glucose1 M/z:229 + 319 RI:1880-1890 507 X_509 Glucose1 TRUE 50-99-7|53991-51-8|34152-44-8|19126-99-9|492-61-5|492-62-6 d-glucose COR_NG:HI 335524188.905555 1517619117.14614 239426174.59767 149419564.007589 61891768.4364283 27867387.4488545 125346809.607501 312198440.369131 RDA_kana02_ID540 RDA_kana02_cmb_ID017 I Sucrose RI:2616-2631 Sucrose M/z:437 + 451 RI:2616-2631 508 Sucrose TRUE 57-50-1|19159-25-2 sucrose 206309283.252714 162073199.972249 137638531.413258 262742115.443952 409090443.911848 182876279.157036 454641321.020431 354272132.779689 RDA_kana02_ID543 RDA_kana02_cmb_ID020 I Cysteine RI:1543-1551 Cysteine M/z:220 + 294 RI:1543-1551 511 Cysteine TRUE 4371-52-2|3374-22-9|52-90-4|921-01-7|7364-50-3 l-cysteine 21620959.0527744 11491381.3105849 18834312.7076261 16136433.1323892 34473065.421379 255782504.744141 49516819.985265 33069448.7120609 RDA_kana02_ID546 RDA_kana02_cmb_ID023 I Nicotianamine RI:2568-2577 Nicotianamine M/z:186 + 218 RI:2568-2577 514 Nicotianamine TRUE 34441-14-0 nicotianamine 3128627.2586337 3136396.94971725 3240716.60441392 2505760.10218062 2588095.44196264 5473626.90004224 2985987.63733222 3052835.48684956