#METABOLOMICS WORKBENCH michaelsa93_20160209_9006951_mwtab.txt DATATRACK_ID:506 kenanazam_20160211_143911 STUDY_ID:ST000344 ANALYSIS_ID:AN000557 PROJECT_ID:PR000276 VERSION 1 CREATED_ON February 12, 2016, 12:14 pm #PROJECT PR:PROJECT_TITLE Effects of dietary supplement on hamster metabolism PR:PROJECT_SUMMARY This experiment aims to analyze spent media from a protein over-expression PR:PROJECT_SUMMARY system. The treatment was a lipid supplement given to hamsters. The spent media PR:PROJECT_SUMMARY was then analyzed to see how the lipid supplement affected lipid metabolism. PR:INSTITUTE University of California, Davis PR:DEPARTMENT Genome and Biomedical Sciences Facility PR:LABORATORY WCMC Metabolomics Core PR:LAST_NAME Fiehn PR:FIRST_NAME Oliver PR:ADDRESS 1315 Genome and Biomedical Sciences Facility, 451 Health Sciences Drive, Davis, PR:ADDRESS CA 95616 PR:EMAIL ofiehn@ucdavis.edu PR:PHONE (530) 754-8258 PR:FUNDING_SOURCE NIH U24DK097154 #STUDY ST:STUDY_TITLE Effects of dietary supplement on hamster metabolism ST:STUDY_SUMMARY This experiment aims to analyze spent media from a protein over-expression ST:STUDY_SUMMARY system. The treatment was a lipid supplement given to hamsters. The spent media ST:STUDY_SUMMARY was then analyzed to see how the lipid supplement affected lipid metabolism. ST:INSTITUTE University of California, Davis ST:DEPARTMENT Genome and Biomedical Sciences Facility ST:LABORATORY WCMC Metabolomics Core ST:LAST_NAME Fiehn ST:FIRST_NAME Oliver ST:ADDRESS 1315 Genome and Biomedical Sciences Facility, 451 Health Sciences Drive, Davis, ST:ADDRESS CA 95616 ST:EMAIL ofiehn@ucdavis.edu ST:PHONE (530) 754-8258 ST:NUM_GROUPS 6 ST:TOTAL_SUBJECTS 28 #SUBJECT SU:SUBJECT_TYPE Animal SU:SUBJECT_SPECIES Mesocricetus auratus SU:TAXONOMY_ID 10026 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS d2 C CHO cells_Elhofy_d2 C_001.d Treatment:Control SUBJECT_SAMPLE_FACTORS d2 E CHO cells_Elhofy_d2 E_007.d Treatment:Lipid Supplement SUBJECT_SAMPLE_FACTORS d5 C CHO cells_Elhofy_d5 C_002.d Treatment:Control SUBJECT_SAMPLE_FACTORS d5 E CHO cells_Elhofy_d5 E_008.d Treatment:Lipid Supplement SUBJECT_SAMPLE_FACTORS d8 C CHO cells_Elhofy_d8 C_003.d Treatment:Control SUBJECT_SAMPLE_FACTORS d8 E CHO cells_Elhofy_d8 E_009.d Treatment:Lipid Supplement SUBJECT_SAMPLE_FACTORS d11 C CHO cells_Elhofy_d11 C_004.d Treatment:Control SUBJECT_SAMPLE_FACTORS d11 E CHO cells_Elhofy_d11 E_010.d Treatment:Lipid Supplement SUBJECT_SAMPLE_FACTORS d14 C CHO cells_Elhofy_d14 C_005.d Treatment:Control SUBJECT_SAMPLE_FACTORS d14 E CHO cells_Elhofy_d14 E_011.d Treatment:Lipid Supplement SUBJECT_SAMPLE_FACTORS d17 C CHO cells_Elhofy_d17 C_006.d Treatment:Control SUBJECT_SAMPLE_FACTORS d17 E CHO cells_Elhofy_d17 E_012.d Treatment:Lipid Supplement #COLLECTION CO:COLLECTION_SUMMARY This is spent media from a protein over-expression system. The media is serum CO:COLLECTION_SUMMARY free from the DG44 CHO cell line CO:COLLECTION_PROTOCOL_FILENAME StudyDesignAdamElhofy10202015.pdf #TREATMENT TR:TREATMENT_SUMMARY "2x6 each: The treatment is the addition of a lipid supplement. " TR:TREATMENT_PROTOCOL_FILENAME StudyDesignAdamElhofy10202015.pdf #SAMPLEPREP SP:SAMPLEPREP_SUMMARY None #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY UPLC CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent 6530 CH:COLUMN_NAME Waters Acquity CSH C18 (100 x 2.1mm, 1.7um) CH:COLUMN_NAME 1.7um Pre-Column CH:FLOW_GRADIENT 15% B to 99% B CH:FLOW_RATE 0.6 mL/min CH:COLUMN_TEMPERATURE 65 C CH:METHODS_FILENAME Data Dictionary Fiehn laboratory_CSH QTOF lipidomics_05-29-2014.pdf CH:SOLVENT_A 60:40 Acetonitrile:Water +10mM Ammonium Formate +10mM Formic Acid CH:SOLVENT_B 9:1 Isopropanol:Acetonitrile +10mM Ammonium Formate +10mM Formic Acid CH:COLUMN_PRESSURE 450-850 bar CH:SAMPLE_INJECTION 1.67 uL CH:ANALYTICAL_TIME 13 min CH:CAPILLARY_VOLTAGE 3500 CH:TIME_PROGRAM 15 min CH:WEAK_WASH_SOLVENT_NAME Isopropanol CH:WEAK_WASH_VOLUME 5 seconds CH:STRONG_WASH_SOLVENT_NAME Same CH:TARGET_SAMPLE_TEMPERATURE Autosampler temp 4 C CH:RANDOMIZATION_ORDER Excel #ANALYSIS AN:ANALYSIS_TYPE MS AN:DETECTOR_TYPE TOF MCP AN:SOFTWARE_VERSION MassHunter AN:DATA_FORMAT .d #MS MS:INSTRUMENT_NAME Agilent 6530 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Lipidomics runs are MS1 data; Identifications made from pooled MS/MS runs MS:CAPILLARY_VOLTAGE 3500 MS:COLLISION_GAS Nitrogen MS:DRY_GAS_FLOW 8 l/min MS:DRY_GAS_TEMP 325 MS:FRAGMENT_VOLTAGE 120 MS:FRAGMENTATION_METHOD Auto MS/MS MS:ION_SOURCE_TEMPERATURE 325 MS:ION_SPRAY_VOLTAGE 1000 MS:IONIZATION Pos MS:PRECURSOR_TYPE Intact Molecule MS:REAGENT_GAS Nitrogen MS:SOURCE_TEMPERATURE 325 C MS:DATAFORMAT .d MS:DESOLVATION_GAS_FLOW 11 l/min MS:DESOLVATION_TEMPERATURE 350 C MS:NEBULIZER 35 psig MS:OCTPOLE_VOLTAGE 750 MS:SCAN_RANGE_MOVERZ 60-1700 Da MS:SCANNING_CYCLE 2 Hz MS:SCANNING_RANGE 60-1700 Da MS:SKIMMER_VOLTAGE 65 #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak height MS_METABOLITE_DATA_START Samples CHO cells_Elhofy_d2 C_001.d CHO cells_Elhofy_d2 E_007.d CHO cells_Elhofy_d5 C_002.d CHO cells_Elhofy_d5 E_008.d CHO cells_Elhofy_d8 C_003.d CHO cells_Elhofy_d8 E_009.d CHO cells_Elhofy_d11 C_004.d CHO cells_Elhofy_d11 E_010.d CHO cells_Elhofy_d14 C_005.d CHO cells_Elhofy_d14 E_011.d CHO cells_Elhofy_d17 C_006.d CHO cells_Elhofy_d17 E_012.d Factors Treatment:Control Treatment:Lipid Supplement Treatment:Control Treatment:Lipid Supplement Treatment:Control Treatment:Lipid Supplement Treatment:Control Treatment:Lipid Supplement Treatment:Control Treatment:Lipid Supplement Treatment:Control Treatment:Lipid Supplement 1_CE (22:1) iSTD 96368 82632 89567 83027 86349 87134 91554 87189 85139 83120 85942 83822 1_CE (22:1) iSTD 1211099 876917 1023590 829887 968902 974341 1064209 976292 943978 941370 986756 983276 1_Ceramide C17 iSTD 305084 62439 57166 64641 185396 187309 214191 93297 190482 91991 206720 172852 1_Ceramide C17 iSTD 120836 34478 31055 35570 53113 56938 69011 47582 56688 51454 61480 51465 1_Ceramide C17 iSTD 132781 53725 56261 68452 106096 109622 119396 95640 112203 102193 108754 98697 1_Cholesterol d7 iSTD 33115 13418 10755 11041 7151 7572 8444 7971 7620 8295 5930 6282 1_CUDA (pos) iSTD 82288 65378 76709 55736 68813 68898 79121 78368 70274 70425 72040 75532 1_DG (12:0/12:0/0:0) iSTD 80126 17794 16748 29830 43804 29857 67511 34981 63874 38119 63678 44572 1_DG (12:0/12:0/0:0) iSTD 57066 8807 8122 12944 19936 11745 38861 16554 33476 17016 36342 21357 1_DG (18:1/2:0/0:0) iSTD 272994 76439 92061 119320 174847 131468 257033 158660 237706 157913 242383 177661 1_DG (18:1/2:0/0:0) iSTD 83866 18608 21479 31732 57100 34552 104885 45446 98535 44526 103606 59613 1_LPC (17:0) iSTD 501176 144191 170763 146629 175534 190084 207436 173356 189465 176522 182801 173188 1_LPE (17:1) iSTD 35720 15484 18516 14139 16721 18766 20216 17428 18480 17873 19082 17728 1_MG (17:0/0:0/0:0) iSTD 39343 18439 20777 18550 20917 22012 25497 22936 23045 21816 25173 21937 1_MG (17:0/0:0/0:0) iSTD 38585 26479 29544 26226 27845 28407 29162 29202 29749 29135 28491 28642 1_MG (17:0/0:0/0:0) iSTD 22658 10298 11438 10170 12237 11990 14940 12336 13094 11819 12386 11911 1_PC (25:0) iSTD 90094 26915 34257 27660 31045 33701 38362 31159 33506 34735 34097 31882 1_PE (17:0/17:0) iSTD 182489 56035 45640 49317 55997 69899 73093 59131 65610 73272 64863 64374 1_SM (d35:1) iSTD 252835 73177 97805 80370 110457 117154 146013 108005 126738 117959 122465 108175 1_Sphingosine (d17:1) iSTD 64854 24550 33408 24408 30303 32964 38318 29456 34803 32709 34349 30298 1_TG (17:0/17:1/17:0)-d5 iSTD 118916 42321 45631 42044 54503 67729 67843 51757 54039 54145 57067 52188 1_TG (17:0/17:1/17:0)-d5 iSTD 285371 57032 60206 54837 75133 111658 115685 76925 78477 78279 96278 36950 Ceramide (d40:1) 1665 1118 3685 3375 49242 40929 77381 37600 117280 57844 162966 86138 Ceramide (d42:1) 4832 1969 9445 10227 97215 84217 138646 74662 220924 110929 325858 166756 Ceramide (d42:2) 4796 2246 8182 8552 84239 89127 133182 85255 200281 127134 276414 204306 Gal-Gal-Cer(d18:1/16:0) or Lactosylceramide(d18:1/16:0) 5550 1095 6976 6111 52261 54495 62031 45699 69628 57681 81934 74220 GlcCer (d40:1) 2089 950 3992 4121 37184 29394 39365 23627 36238 14909 36019 31030 GlcCer (d42:1) 4268 1867 8368 8122 86792 68189 85717 48951 80093 50238 84527 65948 GlcCer (d42:2) 2982 982 3969 4326 32773 32692 34949 28250 34182 29357 36566 45777 Lactosylceramide (d18:1/24:1(15Z)) 1370 922 2407 2462 25296 23482 34934 19501 39189 27108 50530 42991 PC (28:0) 12943 3331 42227 32979 108841 90062 70228 39315 64343 33407 69542 40391 PC (30:0) 53382 11746 178105 140388 594533 590771 487088 321521 501458 319896 574668 427494 PC (30:1) 18302 5569 54054 41842 261554 225851 192875 123858 171020 103523 169193 118175 PC (32:1) 217622 60303 708415 570300 3706418 3439986 3316029 2261608 3320922 2244325 3541257 2563426 PC (32:3) 4004 980 13009 11297 59444 54973 40696 25991 53004 34115 53826 37065 PC (36:1) 107958 33112 470818 401044 2359430 2214918 2384443 1589083 2757055 1806248 3236088 2375802 PC (38:2) 20567 5869 48315 47717 152900 202301 136018 129523 159430 145316 185343 183962 PC (38:4) B 7102 1995 37167 34994 352099 333299 346526 247628 383110 291082 404490 346073 PC (40:1) 957 753 3350 3670 12354 12435 11080 7406 11924 8427 13745 9684 PC (40:2) 2135 847 4147 4941 12627 15183 11213 9883 12621 10792 15663 13717 PC (42:1) 1569 967 3980 4575 12866 12090 11055 7476 11331 7822 12964 9427 PC (42:2) 1773 774 3164 3532 7622 8922 6440 5344 6877 5954 8609 7127 PC (p-34:3) or PC (o-34:4) 1172 486 2491 2255 18509 14498 15622 7584 25673 11446 28701 14947 PC (p-36:0) or PC (o-36:1) 4262 1472 14399 12860 76332 74799 69451 47726 80351 53942 97919 67079 PC (p-36:1) or PC (o-36:2) 14605 4284 44043 39159 204198 277514 179671 162540 205219 177813 245041 216844 PC (p-36:3) or PC (o-36:4) 2335 785 11841 8156 65122 63145 52036 38074 63468 43668 66368 47720 PE (32:1) 2543 1166 6100 4687 48571 42025 52731 34860 52622 34119 58719 42011 PE (34:1) 12560 4361 36142 27530 269642 263935 317705 212927 354446 233837 401007 300490 PE (34:2) 6193 2053 14767 10525 74573 73008 81435 57526 85173 57937 90873 70165 PE (36:1) 14070 5378 40158 32066 258313 244585 318871 196658 405528 233024 506492 345896 PE (36:2) 30434 10535 26264 76914 167267 538268 516009 395275 552708 404249 210354 539360 PE (p-32:1) oe PE (o-32:2) 11131 3961 41173 27699 206291 170187 196754 112271 192142 112398 208079 129471 PE (p-34:1) or PE (o-34:2) 56561 18813 249325 174679 1236639 1104961 1142925 731692 1112794 732710 1168650 855801 PE (p-36:1) or PE (o-36:2) 17447 6709 68520 52998 440651 405935 399502 231114 384514 230330 420737 277823 PE (p-36:2) or PE (o-36:3) 20420 8883 66666 52953 310686 347659 288759 219446 282583 223454 308579 285661 SM (d34:0) 8032 2961 45172 46379 276975 271132 440743 291089 541649 351981 635292 494848 SM (d40:0) 346 332 1756 2239 10158 7524 16840 7546 19872 9447 24799 12902 SM (d42:0) 680 522 1922 1320 10438 7577 16390 7207 18993 9245 24309 12425 8.46_694.68 511 429 1112 846 8065 7389 12550 6574 19444 9708 30670 16536 5.61_1162.86 299 200 2305 1827 16581 15471 13868 10542 13606 11744 15788 12524 4.92_577.52 27888 5261 100140 75314 383988 301049 427443 289717 411720 318796 411599 288426 2.90_250.18 8870 5795 4484 17511 9958 2934 13278 2060 3682 5268 7356 3718 2.90_228.20 45172 46784 38462 110388 54911 17677 120821 20581 16721 27612 56205 30083 0.59_209.07 365 386 3993 4057 4051 3679 4317 1255 4263 1195 2133 1725 0.56_192.05 1355 614 7167 4282 10320 7556 8905 5282 10648 9252 10218 8170 5.53_887.56 1209 479 3769 2900 11058 10140 14599 9856 17278 12492 19682 15009 5.53_865.58 1119 442 2473 1605 8661 7796 12180 7147 14016 9591 16704 11766 4.98_907.53 756 213 1551 1492 3749 4123 4559 4010 4730 4477 4845 4831 4.97_885.55 2447 644 6776 6218 23028 23246 27385 21782 30605 25533 33040 28502 8.71_795.63 972 470 1651 1391 9642 9743 8328 5684 9021 5626 9671 6782 5.71_834.53 776 526 1346 1513 3424 2839 3222 2577 2981 2373 2763 2424 8.71_817.61 3738 2209 5724 4715 33708 32006 29286 19237 33498 19693 33726 21515 0.81_437.19 27602 8636 3587 4079 5727 6369 6578 5027 8443 6638 6342 5744 0.81_415.21 225727 100873 46675 35388 47084 50996 56235 51899 61642 47029 49660 50447 4.96_863.56 3093 731 10659 9194 55370 59802 69219 52425 78227 61085 90934 78742 0.81_432.24 155947 70801 36351 26895 36892 38829 44609 35113 48646 37399 36989 39936 2.56_659.29 89065 14291 11474 15750 15994 16389 15307 14710 17572 15887 22099 18389 2.56_654.33 1367996 198869 156206 177901 174129 186212 206300 191505 196832 186464 284943 242866 2.56_637.31 444670 61864 47387 56259 52403 57088 63301 60405 60858 56927 87433 75213 3.02_226.18 17198 14587 11277 36433 18562 5978 38601 6206 5567 8838 19629 9514 2.90_226.18 20941 22586 18359 52844 25497 7700 59661 8979 7573 12735 27504 13415 5.33_341.31 369 203 679 708 3544 3271 3291 1581 4300 2639 5973 3568 5.34_339.29 366 232 791 604 3384 3789 3390 2173 4568 2301 5271 4369 11.53_889.84 704 305 897 1115 1859 3482 3024 2927 6585 2694 5386 6410 11.53_888.84 736 518 995 1087 1578 3072 2604 2625 5365 2680 4771 6204 11.09_957.81 40414 13474 17641 15256 18117 17011 18129 16779 17026 17440 16572 15984 5.60_1163.36 339 195 1744 1576 12422 11289 10868 7949 11890 8805 11291 9433 5.61_1162.36 405 158 1855 1591 11417 10784 10012 7573 10668 8367 11152 8463 5.63_1176.37 208 203 932 971 3000 3698 2365 2507 2548 3118 3330 3392 5.63_1175.36 377 256 889 1071 2902 3102 2321 2256 2483 2656 3801 3595 1.18_316.32 260745 87788 106512 85188 103230 104600 111688 101000 105907 99635 101918 103895 1.26_316.32 218987 75227 91159 74177 91309 89028 97591 86553 89726 84190 87984 89793 11.19_957.81 32016 6901 13928 13002 14412 13477 13098 14166 13348 14220 12211 12738 10.77_793.61 10658 26783 12257 11527 10005 10770 9530 11397 10352 8186 10500 9222 10.67_793.61 12730 30040 13717 13781 10936 10985 10224 11618 8291 7494 10265 8213 0.54_123.06 641102 355480 179330 251498 133051 124134 153767 103556 177273 77390 155802 68650 0.55_146.06 21342 11118 14452 11317 14953 13498 14250 11867 13068 11835 12871 12934 0.56_253.17 3739 1766 5938 4704 11936 7914 13220 10121 11949 8903 11436 10752 0.56_265.11 10089 4580 5904 4516 5869 6394 6277 4486 5369 5639 5570 4830 0.56_275.08 6129 1328 3171 3243 2797 1497 3163 1937 3728 1641 3404 2316 0.56_283.11 75 0 6253 0 9034 3537 10870 4939 3725 6751 4518 10277 0.57_133.08 5120 5836 2110 3558 3763 31215 3107 4326 5523 1277 2569 2934 0.57_200.16 4055 5528 17728 4176 4663 4261 18604 21415 1153 2215 4956 1615 0.57_247.06 6066 1949 3276 1808 4117 3250 5485 3657 5729 3530 6076 4505 0.58_160.08 129641 55252 36993 41995 30611 48566 32330 57126 44995 76245 46240 67877 0.58_249.06 1574 504 5963 5852 6738 6951 7759 5344 7899 5094 7573 6107 0.59_238.06 1161 1373 4794 3457 4545 1396 5794 3047 4423 3436 5109 3932 0.59_251.14 23737 9073 10957 10627 8831 6514 10116 8269 8574 8831 9808 9588 0.59_306.13 2139 937 3347 1918 4706 3484 6415 4720 7785 4700 7020 5738 0.62_326.16 12192 3873 4685 3438 5146 5716 6918 4463 4108 3979 5937 4226 0.64_224.13 10381 5991 6663 3880 5174 5154 7337 4787 7288 5765 6696 5540 0.64_382.15 1630 1092 8353 5738 19102 14539 28337 20505 29653 26308 31394 36853 0.68_442.34 9958 3193 5296 3441 6470 4801 7898 5422 7149 4394 7793 5689 0.69_229.04 22096 8907 11248 8968 12349 10181 12553 8368 12873 9376 15638 10995 0.74_299.02 1701 1025 7903 6823 10087 7151 9275 6251 8790 6405 8187 5574 0.74_500.38 11009 4265 6679 4302 8152 5514 9148 5979 8767 5910 9108 6492 0.74_535.11 320 230 3638 2208 6045 2658 4237 2255 4223 2177 3715 2358 0.76_263.08 925 44954 2216 22576 22185 25547 6931 19687 18146 542 10615 8678 0.76_393.29 1970 2172 26290 27550 3883 6130 4523 3023 9764 3083 7328 7960 0.79_312.25 6410 1869 3553 1549 3621 2698 4568 3229 3857 2455 4225 3155 0.80_453.17 9551 4157 2383 1676 2507 2749 2624 2745 3692 2497 2325 2380 0.80_558.42 12236 4098 6712 5008 7692 5961 10148 6436 9551 6149 10314 7899 0.81_119.09 19736 9809 5703 5213 5704 6454 7414 5724 7328 5997 6245 6099 0.81_333.17 701 476 776 499 2992 2199 6623 4864 8349 6456 9945 8988 0.81_459.25 43604 22335 11831 10360 12321 13728 13487 10841 15570 12572 11041 11978 0.84_364.16 498 149 435 419 931 938 3353 3044 3819 3227 4355 4237 0.85_288.29 634319 255471 323034 259741 314970 318113 345887 303415 317106 302630 319295 314150 0.87_616.46 15411 5814 9322 6043 10010 7700 10708 6863 11290 7351 11461 8276 0.88_424.33 3930 1365 2624 1418 2719 2186 3113 2043 3100 2116 3312 2170 0.94_191.18 1426 877 3945 3958 15510 940 1078 4878 1022 3265 1067 2902 0.94_332.29 0 437 3861 4200 19140 0 0 7965 0 3507 0 3497 0.98_674.51 14765 4834 6457 4752 6482 5557 8043 4880 7955 5144 8715 5972 1.11_732.55 17744 5205 7956 5654 8051 6645 9118 5838 9087 5923 9373 6772 1.26_790.59 17377 5953 7705 6346 8419 6659 9794 6484 9454 6278 9522 6842 1.29_399.25 1785 2554 1301 1556 7030 3044 3677 4402 4070 13061 6563 2383 1.42_848.63 15331 5175 7184 5213 7217 5813 8105 5656 7835 5537 8322 6333 1.62_462.35 5504 2137 2353 2044 2437 2348 2625 2099 2609 2198 2836 2517 1.62_906.67 10558 3839 4816 3758 5074 4024 5865 3761 5977 3822 5807 4085 1.82_372.35 1393 3558 931 2150 4863 8736 3828 34324 3953 1015 3511 3692 1.82_491.37 7243 2832 3023 2340 3451 2768 3670 2422 4094 2350 3484 3061 1.82_508.30 1133 1013 4146 3966 14350 16207 12756 11364 14896 7401 12680 13790 1.82_964.71 7474 2650 3700 2825 2624 2837 3853 3031 4283 2544 4868 2940 1.92_644.49 9942 4725 777 9481 2441 2952 2925 6326 1922 702 2664 1425 2.03_1022.75 5129 1778 2623 2081 2504 2277 2998 1835 2835 1996 2597 2020 2.04_520.39 7437 2508 3234 2372 3669 2793 4039 2698 4104 2557 4034 2680 2.26_549.42 6656 2526 3325 2307 3590 2291 3981 2298 3868 2458 3705 2692 2.60_400.38 1772 4122 1292 3439 6644 12108 4442 48031 5405 1334 5094 4496 2.68_377.22 6278 2429 3828 2624 3289 2322 3884 3383 16965 3341 3974 3086 2.70_607.46 5241 1719 2802 2252 2659 1955 3443 2337 3798 2185 3574 2563 2.86_636.48 5439 2440 3464 2201 3127 2503 3847 2497 4105 2465 4534 2592 2.86_636.98 4291 1541 2365 2096 2136 2248 2501 2055 2811 1904 3210 2219 2.90_208.17 4982 4663 3946 10251 5142 1964 12397 1896 1719 2842 5488 3215 2.90_244.19 4028 4889 3747 11013 4929 2560 12664 2766 2204 2762 5541 2856 2.90_270.24 4508 4823 3572 9971 5665 1637 11361 1813 1409 2916 5412 3093 2.90_408.31 26466 21390 17232 64828 32872 9984 56943 9254 9822 16019 26537 12985 2.91_430.37 34780 33513 26991 66913 41542 15571 67117 14467 14754 23355 38064 20942 2.97_665.50 5691 2193 3335 2205 3157 2640 3874 2179 3998 2724 3978 3028 2.97_666.00 4085 1730 2278 1968 2747 2220 2611 2284 3021 2034 3419 2124 3.02_208.17 3103 3177 2685 7168 3923 1430 8033 1900 1314 2196 4195 2551 3.02_221.17 4889 3416 2623 9615 4986 2248 8207 2687 1969 2803 5392 2516 3.02_244.19 19620 16176 12216 41710 19577 6965 40633 7887 5491 10141 21195 10568 3.02_408.31 37111 26233 19573 71899 38060 12172 62946 13878 12298 19560 37158 15954 3.02_771.65 2515 2348 1409 12072 3429 640 11994 868 501 1507 3672 1277 3.05_718.56 31854 10370 12005 12370 13953 14173 14532 12050 15885 14032 14057 12977 3.06_694.52 4041 2047 2718 2676 2499 2422 3548 2635 3632 2674 3302 2923 3.48_371.32 41696 15348 19374 13097 21503 17147 29699 22436 19420 19021 23175 18844 3.48_482.28 7631 4287 4353 3406 3461 4106 4980 4579 3669 3946 4198 5065 3.72_675.68 29444 89122 74012 25277 28771 43859 267221 118539 45838 74613 86965 48070 3.81_1011.62 18581 5003 5718 6694 7954 7894 6536 5709 8077 7389 6482 6063 3.81_1027.59 6128 1624 2370 2743 3008 2254 1943 1913 3079 2616 2141 2252 3.85_314.31 12149 3973 4274 2362 4217 5631 3052 4728 2839 4745 2196 3820 4.29_257.21 25790 3556 3980 6098 9021 5698 17364 7175 16267 8221 17768 9585 4.29_457.39 9624 1788 2078 2876 3557 2729 6784 3075 6253 3276 5971 3504 4.29_961.75 9639 610 357 1193 2611 1581 4728 1730 5658 2205 4785 2328 4.35_1011.59 8887 2250 2569 3781 4504 4006 2436 2322 4183 4397 3318 2846 4.44_575.50 773 218 1608 1418 10260 9272 12322 7339 11966 8457 13964 10808 4.52_549.49 450 272 930 867 4937 4668 5801 4556 6101 4637 6913 6281 4.81_703.80 591 1887 1712 1033 184670 220331 202753 175191 222170 191151 256089 247519 4.81_783.52 1144 524 4446 4606 9233 8738 8992 8586 8035 8722 8393 8681 4.81_1076.84 177 100 396 704 4917 6181 4336 3343 5980 4464 5802 5837 4.81_1077.34 292 131 649 473 6070 7687 5767 4284 7598 6421 7874 7468 4.82_713.51 479 236 1129 1053 7702 8428 11886 7645 18222 11472 23758 15483 4.86_339.29 722 291 2223 2609 14820 20358 20252 18226 33701 26844 45803 33218 4.89_739.53 1133 463 3531 4574 39453 57926 70008 62224 118013 98435 165807 140861 4.92_661.53 3633 1137 12926 11673 34654 37205 49368 43353 61246 50899 69995 65351 4.96_526.52 35464 12601 14723 11985 9980 9930 11856 12130 10346 10633 9610 12159 4.96_603.54 12873 2645 55423 49027 305076 331123 386763 284916 433732 341017 507627 432614 4.97_732.79 1964 1997 295 1571 244046 227891 221744 142334 219660 873 239968 164723 4.97_734.90 559 239 1340 1138 10089 9292 8625 4373 8031 4442 8820 5665 4.99_770.51 769 280 2563 2131 15241 14300 11659 9953 14083 12092 11686 10286 5.00_812.50 577 368 2294 1493 8934 7881 7105 5764 7544 5576 6500 5547 5.01_510.49 457 303 800 835 2539 3493 3018 2793 2891 2839 3560 3947 5.03_609.33 12637 4567 6361 5449 2027 1439 1941 2257 1385 2379 1326 1648 5.04_768.04 205 139 453 499 5126 6188 4836 3635 5879 4156 4868 4427 5.10_577.52 1739 614 4068 3439 28557 27322 32497 23455 30737 23696 32814 28935 5.12_558.48 688 294 828 1438 3775 5858 3018 3515 4055 3890 4639 4269 5.13_590.60 3022 2148 1658 2055 3406 16096 5340 3140 2827 1551 2533 2817 5.17_703.58 2155 1522 4746 3736 7412 17622 9132 6394 17870 5487 14879 9547 5.25_563.54 498 233 1375 1296 9810 7567 11604 5673 11210 6672 13566 7840 5.29_692.56 1525 559 3982 3229 13013 14023 12053 8052 13550 8732 16742 12159 5.30_589.56 614 217 1316 1082 7243 7652 8450 5829 10175 7361 11211 8173 5.30_849.59 480 286 976 793 4390 5003 5804 4310 6400 4999 7486 6173 5.31_643.29 11490 5199 2608 3012 11439 9112 8675 7594 10926 10548 2563 7680 5.31_703.58 1658 797 2064 2212 8667 6310 11692 8635 12934 9023 14285 11974 5.32_605.32 189011 90119 145874 94895 138654 119235 155806 130566 134365 124834 142558 131976 5.32_659.27 6691 2955 3719 4975 6117 5243 3810 3731 5896 6465 3982 3578 5.33_715.53 229 256 933 422 3386 2139 4385 2335 5865 2621 7519 3958 5.53_605.55 6860 1766 19856 15325 79296 70522 112718 65159 127081 82720 158176 107287 5.60_783.07 611 748 11854 8573 21373 21352 19691 20819 21083 20524 18442 19618 5.61_762.94 2059 478 6233 5238 19871 20513 19310 14416 20614 14806 22110 17221 5.62_906.61 1577 474 1428 6730 6294 5297 4941 5001 8145 4691 5534 3554 5.63_1175.86 222 74 1077 1025 3954 4572 3053 3171 3090 3922 4202 4466 5.65_813.55 1202 980 3853 3847 10610 7082 9242 3782 8825 3369 4475 6620 5.67_795.53 13984 10967 10054 8351 0 0 7965 10297 0 10026 0 0 5.71_264.27 508 205 1262 1291 3833 4642 4686 3942 5165 4477 6624 5201 5.71_520.51 5003 1630 12898 12612 67421 75708 87482 70559 95466 82071 120258 103769 5.71_605.55 2375 1191 6452 5162 25266 24422 29893 18013 32616 22377 37680 27692 5.71_1098.01 756 262 4403 6032 53147 56114 67509 58847 82231 73433 100275 87577 5.72_554.55 46325 18642 20840 16755 15671 14268 17233 16132 14525 14594 13457 15264 5.72_576.48 1498 718 2878 3244 5918 5801 6636 6065 7005 7082 7138 6764 5.72_582.56 17660 6112 11299 9763 13899 14844 22686 23193 15473 17349 20223 21271 5.73_596.57 719 719 1463 1649 2663 2391 3099 3384 2485 2851 2926 3296 5.79_577.51 666 437 1553 1405 5958 6668 7235 6589 7576 7124 8538 6825 5.79_631.57 855 404 1691 1399 6310 6861 7848 6405 9943 7767 11838 9816 5.85_603.53 1287 980 2189 1838 8140 9972 9227 7138 10010 7260 10781 9117 5.89_591.57 518 282 1115 792 7146 5988 8696 4939 9297 5178 11120 6177 5.89_851.60 379 235 902 796 4855 4170 5834 3105 6397 3606 7603 4357 5.95_540.54 489 499 1439 1203 8548 8374 17524 9463 25818 13834 34131 20207 5.98_665.68 26482 10420 10494 14760 10860 10059 9596 10707 11197 11409 11682 11444 6.07_1126.04 52624 3318 7367 8765 52001 54084 66296 36922 57185 42286 57051 40976 6.07_1134.03 2641 196 536 332 2382 3887 3321 3095 2628 2019 3098 2382 6.13_339.29 538 291 1978 1360 6090 5843 5931 4339 5159 3903 6177 4591 6.13_462.30 548 275 1359 989 4770 4525 4514 2850 4502 2727 4757 3453 6.13_561.52 939 572 2982 2560 13655 12302 12308 8242 12655 8442 12710 9131 6.13_704.78 391 201 945 746 7133 6064 6129 4143 6234 2802 4747 4321 6.14_740.50 501 277 1593 936 5814 5139 5836 4354 5346 3737 6201 5699 6.17_587.54 437 298 1038 870 3011 3214 2691 2466 2600 2360 2872 3083 6.29_790.98 342 237 977 1110 6933 4404 5618 4710 8572 4803 10480 4470 6.29_811.10 240 119 957 725 17082 14663 15596 899 19099 12425 19478 14593 6.29_868.56 270 287 1609 1543 11882 11168 11236 7284 12946 8585 14642 11819 6.30_790.86 628 358 2513 2299 23195 19219 21893 9971 21061 13134 35340 17276 6.30_800.11 157 143 368 422 3099 3412 3138 2061 4147 2567 5115 3397 6.31_824.11 115 119 292 279 2508 3056 2270 1759 2945 2602 2658 2862 6.42_548.54 466 364 645 726 4699 4216 6634 3770 9019 5193 11564 7178 6.47_605.55 751 370 1456 1171 4945 4931 5770 3540 7019 4619 9382 5952 6.51_582.58 20151 7790 10640 7361 8908 9387 10276 9289 9322 9094 9369 9099 6.59_833.61 430 291 927 704 7310 4994 5217 2815 4732 2837 5072 2828 6.74_554.55 15075 5190 6852 5481 7050 7124 6840 6765 6642 6467 6806 6650 6.88_548.50 24084 8427 10839 8129 10479 9833 11519 11109 9655 9700 9228 9348 6.89_569.43 14325 9363 8118 7130 3848 3554 3231 4163 2757 3773 2327 2734 7.12_616.57 453 307 780 411 2871 2291 4153 1928 5672 2995 7083 4229 7.56_837.68 1954 780 5111 5357 41131 30522 48318 18348 66454 31087 84232 36492 7.67_649.69 8392 3878 4839 2282 3696 3791 6133 4128 4689 3529 3396 2354 7.78_686.58 687 505 757 1103 5596 5723 7477 4884 10810 8111 11076 9471 7.78_692.67 736 603 1020 1154 11020 11629 18734 10349 23255 15218 32184 27178 7.78_706.68 321 224 342 249 2096 2325 2813 1978 4254 2492 5124 4507 7.81_660.57 476 425 465 546 3375 2398 4005 2707 6053 3529 7103 3782 7.81_666.65 577 505 724 839 6623 5439 10220 5335 13086 6550 18787 11613 8.10_673.54 7059 2381 3031 2618 3976 3320 2984 2440 3873 3714 3002 2911 8.67_674.64 429 318 445 588 2599 1714 3333 1760 5820 2684 8005 3537 8.71_833.59 1757 506 2631 2309 14766 13319 12220 8014 15435 9369 14627 9252 8.71_839.67 1589 695 2404 1686 12294 12838 12278 7852 12010 7626 14403 8769 10.67_799.69 6707 16940 6477 5164 5321 6046 6266 6522 5302 4144 6866 5523 10.78_799.69 5898 14696 5912 4416 4635 5259 4534 5588 4452 3017 7230 4764 11.09_973.78 11240 3945 5028 4600 5405 4595 4964 5264 4472 5106 4381 4251 11.19_896.84 21763 6117 6771 6356 7940 10899 11375 8478 8314 7448 9506 8145 11.54_367.34 49273 13213 20803 12893 20409 20016 21751 19847 18579 17295 19008 19550 11.83_890.85 812 660 1074 1661 2278 3069 4426 3317 11810 3502 9235 8200 11.84_864.84 879 698 1429 1606 3946 4493 6660 4456 15495 4167 10695 8334 11.85_369.52 102942 70870 83321 68830 78841 80315 86354 78969 78527 77811 79703 79147 11.99_892.87 975 762 1316 1480 2334 2551 3931 3034 8826 2445 6600 4562 12.05_1181.06 23306 7904 10119 5520 10013 9858 10426 9986 9795 9202 10107 9878 12.20_1092.99 4030 9257 4703 5231 3440 3902 3907 5110 3346 2394 4142 3342 0.81_351.18_0.81_373.16 2013 693 5220 3500 31033 19205 67261 49504 84385 67587 102846 91966 3.02_228.20_3.02_250.18 51946 43039 32635 107048 54927 20216 104716 22672 19195 29070 57495 27351 4.89_775.55_4.90_797.53 1302 651 2691 3958 19299 27190 28681 27905 49436 43919 61764 60577 4.91_837.55_4.92_859.53 8374 1959 22211 18137 65141 52840 71290 49249 66784 52059 67526 48454 5.08_700.57_5.08_722.56 5628 1898 17872 16049 146106 152038 116994 96056 94002 85309 92030 100790 5.32_702.59_5.31_724.57 1351 583 2060 2350 11438 9645 19683 9712 21352 12050 23367 15300 5.70_538.52_5.71_560.50 17626 6591 47812 55470 197183 206475 239407 202963 260147 234313 307000 273217 5.76_728.60_5.77_750.59 1281 770 2155 1689 21561 18283 21781 12623 18310 12156 18557 15249 6.42_566.55_6.43_588.53 1601 791 2700 2019 24449 22692 33953 17590 44844 24419 59027 36637 10.67_772.68_10.67_777.64 20376 51713 21326 18125 15902 18733 17762 20210 15674 12367 19737 16033 10.77_772.68_10.78_777.64 17053 45419 17743 15633 13688 15943 14549 17242 14191 11326 16264 14340 11.54_862.82_11.54_867.78 2746 1987 5134 5662 12425 20205 24911 19486 53477 19701 40784 42700 11.54_836.80_11.55_841.76 2093 1337 3158 3335 9016 11011 14177 9523 26900 9342 19010 16005 3.05_714.61_3.05_719.56 234521 68684 85367 79867 93820 97817 109904 90333 113511 102164 103492 92868 3.17_840.64_3.18_845.59 36196 3278 5170 10517 21655 11913 32262 14460 34479 16628 30764 18005 5.08_682.56 1284 526 2110 1892 11784 12961 10019 8224 8007 7142 7729 8909 2.48_578.44 5958 2183 2704 2252 3098 2506 3279 2508 3764 2482 3749 2507 1.80_438.30 279 165 1038 658 5692 4039 5234 2186 5653 2687 7544 4401 3.77_650.48 920 390 4937 3767 11153 8869 5422 4073 4460 2790 4497 3082 4.52_704.52 9678 3175 31494 29910 108804 107812 101989 77815 97689 70447 97556 82956 4.04_702.51 1007 784 1036 1332 7225 7881 6621 6298 6025 5210 5774 7089 6.95_816.65 3283 868 11607 9429 44036 42660 40160 27466 48003 30791 57237 39349 5.53_882.61 577 233 930 1065 3375 3117 4152 2583 4916 3709 6078 4582 7.52_974.75_7.53_996.73 1528 737 2528 2614 17412 14683 25039 12900 30444 19112 40947 25355 6.48_772.59 1570 804 3783 3365 12438 15712 13169 10727 14912 11448 18092 16664 6.92_838.63 517 323 1267 974 4854 4347 4566 2296 6720 3165 8970 4689 4.77_690.54 837 509 1308 1051 10302 9983 10902 7404 12361 7763 14009 10887 5.38_718.58 12081 3150 34204 27773 180537 170841 172219 110968 199291 126435 238759 168983 5.08_738.53 611 231 1069 923 5922 6230 5078 4261 3886 3943 4022 4105 6.79_796.62 738 536 887 1405 14036 13724 11943 6171 13856 7811 15303 9549 4.95_646.48 483 439 1426 1180 6364 7525 6319 6506 7074 6722 7283 8269 6.27_730.57 2319 933 7192 2345 19513 19708 20962 15028 22913 15425 25278 19043 6.82_756.59 1184 604 2565 2293 8972 11343 8082 6865 7407 7235 9263 8592 5.05_762.53_5.05_784.51 3992 1549 14557 12446 57852 68035 49251 39587 41713 38128 39255 38070 5.69_812.54 2253 1091 8159 6310 20587 17769 18003 12910 16813 13424 16529 14223 7.68_874.65 1535 591 1969 1252 4824 4766 4528 2633 3959 2495 4183 2262 5.56_880.59 635 299 732 2405 3438 2571 2693 2600 5020 2444 3539 2318 6.30_878.59 809 305 2445 2862 24342 19051 18414 12487 26770 20839 20931 17680 5.61_798.54 8389 3025 15695 17645 20342 19714 18843 19723 19531 21031 18650 19363 8.71_812.66 2015 846 3672 2896 22791 22453 21350 14136 23615 13430 25000 16227 6.29_826.57 854 271 1892 2419 20552 19067 19283 13979 22352 18368 20502 19283 5.88_864.60 1659 575 2281 10055 14511 10178 9890 8100 15343 7431 11085 5430 11.54_980.88 19765 4973 7119 4449 6771 6349 7353 5892 5969 5882 6463 6561 4.96_880.59 1832 380 4887 4346 25254 27287 32284 24290 36626 27664 40845 36078 5.68_790.56 18517 5446 69376 47720 222238 211317 214939 130623 198484 143666 198835 149750 5.10_788.54_5.10_810.53 3410 1696 13659 9966 44257 49107 37600 25845 33852 25716 32780 26192 6.86_946.72_6.84_968.70 849 549 1656 1265 10420 8891 13758 7181 16851 10794 20499 14980 11.54_722.68 42211 12343 19077 10800 17399 17059 20024 17262 16597 16161 16919 16559 1.60_480.31 687 540 2505 3469 10090 8085 8846 7687 10743 5331 12723 7740 3.98_676.49 1432 786 5460 5350 32327 27692 20670 15669 16645 10882 15386 12075 4.88_690.54 628 500 1238 1563 12213 12474 13607 10670 14996 11072 18771 15425 6.04_746.61 37734 12273 140558 114939 613356 618868 535852 391582 601000 429937 716521 517524 5.92_744.58 30614 11098 98699 13571 496019 124546 144597 78270 150403 98800 621574 86468 5.51_700.53 4651 2031 14546 11047 51338 50160 48586 35779 49127 36792 51089 42618 7.47_758.61 833 924 2318 1659 8240 8540 7816 5336 7817 5837 9020 6878 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name retention index quantified m/z PubChem ID KEGG ID 1_CE (22:1) iSTD 11.850 729.6535 1_CE (22:1) iSTD 11.850 724.6985 1_Ceramide C17 iSTD 6.070 552.5364 1_Ceramide C17 iSTD 6.060 534.5257 1_Ceramide C17 iSTD 6.070 574.5178 1_Cholesterol d7 iSTD 4.890 376.3951 1_CUDA (pos) iSTD 0.850 341.2805 1_DG (12:0/12:0/0:0) iSTD 4.290 479.371 1_DG (12:0/12:0/0:0) iSTD 4.290 474.4155 1_DG (18:1/2:0/0:0) iSTD 3.170 421.293 1_DG (18:1/2:0/0:0) iSTD 3.170 416.3374 1_LPC (17:0) iSTD 1.890 510.3563 1_LPE (17:1) iSTD 1.400 466.2933 1_MG (17:0/0:0/0:0) iSTD 3.050 345.3002 1_MG (17:0/0:0/0:0) iSTD 3.050 367.2821 1_MG (17:0/0:0/0:0) iSTD 3.050 362.3264 1_PC (25:0) iSTD 3.530 636.4601 1_PE (17:0/17:0) iSTD 6.400 720.554 1_SM (d35:1) iSTD 5.150 717.5903 1_Sphingosine (d17:1) iSTD 1.100 286.274 1_TG (17:0/17:1/17:0)-d5 iSTD 11.190 874.7884 1_TG (17:0/17:1/17:0)-d5 iSTD 11.180 869.8332 Ceramide (d40:1) 7.810 604.6036 Ceramide (d42:1) 8.457 672.6264 Ceramide (d42:2) 7.780 630.6192 Gal-Gal-Cer(d18:1/16:0) or Lactosylceramide(d18:1/16:0) 4.850 884.6068 GlcCer (d40:1) 7.137 766.6562 GlcCer (d42:1) 7.800 794.6859 GlcCer (d42:2) 7.110 792.6729 Lactosylceramide (d18:1/24:1(15Z)) 6.825 994.7168 PC (28:0) 4.295 678.5072 PC (30:0) 4.900 706.5406 PC (30:1) 4.405 704.5228 PC (32:1) 4.975 732.5536 PC (32:3) 4.880 728.5215 PC (36:1) 6.300 788.6166 PC (38:2) 6.320 814.6321 PC (38:4) B 6.290 810.5988 PC (40:1) 7.650 844.6785 PC (40:2) 6.960 842.6645 PC (42:1) 8.270 872.7101 PC (42:2) 7.600 870.6937 PC (p-34:3) or PC (o-34:4) 5.430 740.5568 PC (p-36:0) or PC (o-36:1) 6.730 774.6374 PC (p-36:1) or PC (o-36:2) 6.090 772.622 PC (p-36:3) or PC (o-36:4) 6.090 768.5875 PE (32:1) 5.135 690.5074 PE (34:1) 5.795 718.5387 PE (34:2) 5.205 716.524 PE (36:1) 6.470 746.5718 PE (36:2) 5.855 766.5366 PE (p-32:1) oe PE (o-32:2) 5.470 674.5125 PE (p-34:1) or PE (o-34:2) 6.130 702.5439 PE (p-36:1) or PE (o-36:2) 6.820 730.5755 PE (p-36:2) or PE (o-36:3) 6.170 728.5596 SM (d34:0) 5.055 705.5905 SM (d40:0) 7.130 789.6831 SM (d42:0) 7.800 817.7146 8.46_694.68 8.460 694.6816 5.61_1162.86 5.610 1162.8572 4.92_577.52 4.920 577.5197 2.90_250.18 2.900 250.1771 2.90_228.20 2.900 228.1955 0.59_209.07 0.590 209.0693 0.56_192.05 0.560 192.0488 5.53_887.56 5.530 887.562 5.53_865.58 5.530 865.5809 4.98_907.53 4.980 907.5305 4.97_885.55 4.970 885.5455 8.71_795.63 8.710 795.6292 5.71_834.53 5.710 834.5256 8.71_817.61 8.710 817.6135 0.81_437.19 0.810 437.1942 0.81_415.21 0.810 415.2123 4.96_863.56 4.960 863.5643 0.81_432.24 0.810 432.2385 2.56_659.29 2.560 659.2872 2.56_654.33 2.560 654.3325 2.56_637.31 2.560 637.3057 3.02_226.18 3.020 226.1798 2.90_226.18 2.900 226.1799 5.33_341.31 5.330 341.3061 5.34_339.29 5.340 339.2916 11.53_889.84 11.530 889.8358 11.53_888.84 11.530 888.8362 11.09_957.81 11.090 957.8088 5.60_1163.36 5.600 1163.3589 5.61_1162.36 5.610 1162.3571 5.63_1176.37 5.630 1176.3652 5.63_1175.36 5.630 1175.36 1.18_316.32 1.180 316.3213 1.26_316.32 1.260 316.3215 11.19_957.81 11.190 957.8098 10.77_793.61 10.770 793.6111 10.67_793.61 10.670 793.6113 0.54_123.06 0.540 123.0562 0.55_146.06 0.550 146.0612 0.56_253.17 0.560 253.1685 0.56_265.11 0.560 265.1137 0.56_275.08 0.560 275.0778 0.56_283.11 0.560 283.1082 0.57_133.08 0.570 133.083 0.57_200.16 0.570 200.1579 0.57_247.06 0.570 247.0555 0.58_160.08 0.580 160.0756 0.58_249.06 0.580 249.0596 0.59_238.06 0.590 238.0555 0.59_251.14 0.590 251.1419 0.59_306.13 0.590 306.1257 0.62_326.16 0.620 326.1632 0.64_224.13 0.640 224.1278 0.64_382.15 0.640 382.1547 0.68_442.34 0.680 442.3376 0.69_229.04 0.690 229.0432 0.74_299.02 0.740 299.0196 0.74_500.38 0.740 500.3791 0.74_535.11 0.740 535.11 0.76_263.08 0.760 263.0818 0.76_393.29 0.760 393.2864 0.79_312.25 0.790 312.2543 0.80_453.17 0.800 453.1669 0.80_558.42 0.800 558.4211 0.81_119.09 0.810 119.0867 0.81_333.17 0.810 333.1703 0.81_459.25 0.810 459.2497 0.84_364.16 0.840 364.1613 0.85_288.29 0.850 288.2901 0.87_616.46 0.870 616.4625 0.88_424.33 0.880 424.3288 0.94_191.18 0.940 191.1789 0.94_332.29 0.940 332.2856 0.98_674.51 0.980 674.5053 1.11_732.55 1.110 732.547 1.26_790.59 1.260 790.5876 1.29_399.25 1.290 399.251 1.42_848.63 1.420 848.6302 1.62_462.35 1.620 462.3535 1.62_906.67 1.620 906.6724 1.82_372.35 1.820 372.3476 1.82_491.37 1.820 491.3748 1.82_508.30 1.820 508.3031 1.82_964.71 1.820 964.7125 1.92_644.49 1.920 644.4936 2.03_1022.75 2.030 1022.7534 2.04_520.39 2.040 520.3944 2.26_549.42 2.260 549.4153 2.60_400.38 2.600 400.3786 2.68_377.22 2.680 377.219 2.70_607.46 2.700 607.4583 2.86_636.48 2.860 636.4789 2.86_636.98 2.860 636.98 2.90_208.17 2.900 208.1693 2.90_244.19 2.900 244.191 2.90_270.24 2.900 270.2427 2.90_408.31 2.900 408.3089 2.91_430.37 2.910 430.3652 2.97_665.50 2.970 665.4985 2.97_666.00 2.970 665.9997 3.02_208.17 3.020 208.1692 3.02_221.17 3.020 221.1747 3.02_244.19 3.020 244.1906 3.02_408.31 3.020 408.3091 3.02_771.65 3.020 771.6453 3.05_718.56 3.050 718.5635 3.06_694.52 3.060 694.5192 3.48_371.32 3.480 371.3161 3.48_482.28 3.480 482.2845 3.72_675.68 3.720 675.6765 3.81_1011.62 3.810 1011.6171 3.81_1027.59 3.810 1027.5913 3.85_314.31 3.850 314.3052 4.29_257.21 4.290 257.211 4.29_457.39 4.290 457.3887 4.29_961.75 4.290 961.749 4.35_1011.59 4.350 1011.5936 4.44_575.50 4.440 575.502 4.52_549.49 4.520 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5.670 795.5324 5.71_264.27 5.710 264.2687 5.71_520.51 5.710 520.5096 5.71_605.55 5.710 605.5514 5.71_1098.01 5.710 1098.0137 5.72_554.55 5.720 554.5509 5.72_576.48 5.720 576.4758 5.72_582.56 5.720 582.5563 5.73_596.57 5.730 596.5726 5.79_577.51 5.790 577.5099 5.79_631.57 5.790 631.5663 5.85_603.53 5.850 603.535 5.89_591.57 5.890 591.5706 5.89_851.60 5.890 851.5986 5.95_540.54 5.950 540.5359 5.98_665.68 5.980 665.6842 6.07_1126.04 6.070 1126.0433 6.07_1134.03 6.070 1134.0304 6.13_339.29 6.130 339.2902 6.13_462.30 6.130 462.2987 6.13_561.52 6.130 561.5242 6.13_704.78 6.130 704.7813 6.14_740.50 6.140 740.4991 6.17_587.54 6.170 587.5411 6.29_790.98 6.290 790.9776 6.29_811.10 6.290 811.0988 6.29_868.56 6.290 868.5571 6.30_790.86 6.300 790.8626 6.30_800.11 6.300 800.1105 6.31_824.11 6.310 824.1059 6.42_548.54 6.420 548.542 6.47_605.55 6.470 605.5476 6.51_582.58 6.510 582.5826 6.59_833.61 6.590 833.6068 6.74_554.55 6.740 554.5511 6.88_548.50 6.880 548.5041 6.89_569.43 6.890 569.4324 7.12_616.57 7.120 616.5656 7.56_837.68 7.560 837.6814 7.67_649.69 7.670 649.6893 7.78_686.58 7.780 686.5838 7.78_692.67 7.780 692.6667 7.78_706.68 7.780 706.6809 7.81_660.57 7.810 660.5694 7.81_666.65 7.810 666.6506 8.10_673.54 8.100 673.5382 8.67_674.64 8.670 674.6412 8.71_833.59 8.710 833.5859 8.71_839.67 8.710 839.6668 10.67_799.69 10.670 799.6927 10.78_799.69 10.780 799.6926 11.09_973.78 11.090 973.7835 11.19_896.84 11.190 896.8425 11.54_367.34 11.540 367.3359 11.83_890.85 11.830 890.8525 11.84_864.84 11.840 864.8391 11.85_369.52 11.850 369.5223 11.99_892.87 11.990 892.8661 12.05_1181.06 12.050 1181.0619 12.20_1092.99 12.200 1092.9877 0.81_351.18_0.81_373.16 0.810 351.1808 3.02_228.20_3.02_250.18 3.020 228.1955 4.89_775.55_4.90_797.53 4.895 775.5485 4.91_837.55_4.92_859.53 4.915 837.5479 5.08_700.57_5.08_722.56 5.080 700.5729 5.32_702.59_5.31_724.57 5.315 702.587 5.70_538.52_5.71_560.50 5.705 538.5204 5.76_728.60_5.77_750.59 5.765 728.6011 6.42_566.55_6.43_588.53 6.425 566.5505 10.67_772.68_10.67_777.64 10.670 772.6811 10.77_772.68_10.78_777.64 10.775 772.681 11.54_862.82_11.54_867.78 11.540 862.8211 11.54_836.80_11.55_841.76 11.545 836.8041 3.05_714.61_3.05_719.56 3.050 714.6055 3.17_840.64_3.18_845.59 3.175 840.6357 5.08_682.56 5.080 682.5616 2.48_578.44 2.480 578.4374 1.80_438.30 1.800 438.3003 3.77_650.48 3.770 650.4757 4.52_704.52 4.520 704.5233 4.04_702.51 4.040 702.5071 6.95_816.65 6.950 816.6501 5.53_882.61 5.530 882.6058 7.52_974.75_7.53_996.73 7.525 974.7501 6.48_772.59 6.480 772.5888 6.92_838.63 6.920 838.6349 4.77_690.54 4.770 690.5428 5.38_718.58 5.380 718.5754 5.08_738.53 5.080 738.5295 6.79_796.62 6.790 796.6182 4.95_646.48 4.950 646.4811 6.27_730.57 6.270 730.5738 6.82_756.59 6.820 756.5895 5.05_762.53_5.05_784.51 5.050 762.5307 5.69_812.54 5.690 812.5434 7.68_874.65 7.680 874.6518 5.56_880.59 5.560 880.5889 6.30_878.59 6.300 878.5861 5.61_798.54 5.610 798.5414 8.71_812.66 8.710 812.657 6.29_826.57 6.290 826.5728 5.88_864.60 5.880 864.5957 11.54_980.88 11.540 980.8834 4.96_880.59 4.960 880.5912 5.68_790.56 5.680 790.5623 5.10_788.54_5.10_810.53 5.100 788.5439 6.86_946.72_6.84_968.70 6.850 946.7194 11.54_722.68 11.540 722.6804 1.60_480.31 1.600 480.3094 3.98_676.49 3.980 676.4917 4.88_690.54 4.880 690.5434 6.04_746.61 6.040 746.6072 5.92_744.58 5.920 744.5763 5.51_700.53 5.510 700.5281 7.47_758.61 7.470 758.6058 METABOLITES_END #END