#METABOLOMICS WORKBENCH michaelsa93_20160209_9006951_mwtab.txt DATATRACK_ID:506 kenanazam_20160211_143911 STUDY_ID:ST000344 ANALYSIS_ID:AN000558 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 6550 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 Acetate +10mM Acetic Acid CH:SOLVENT_B 9:1 Isopropanol:Acetonitrile +10mM Ammonium Acetate +10mM Acetic Acid CH:COLUMN_PRESSURE 450-850 bar CH:SAMPLE_INJECTION 5.0 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 6550 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS Lipidomics runs are performed in negative and positve mode (two filenames) MS:CAPILLARY_VOLTAGE 3500 MS:COLLISION_GAS Nitrogen MS:DRY_GAS_FLOW 13 l/min MS:DRY_GAS_TEMP 200 MS:FRAGMENT_VOLTAGE 175 MS:FRAGMENTATION_METHOD Auto MS/MS MS:ION_SOURCE_TEMPERATURE 325 MS:ION_SPRAY_VOLTAGE 1000 MS:IONIZATION Neg 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_Ceramide (d18:1/17:0) iSTD 397149 243786 251818 279101 224430 245191 265123 237616 249871 245124 255129 224551 1_Ceramide (d18:1/17:0) iSTD 314047 104394 134637 136499 232840 268980 311178 242413 283334 242827 291552 229744 1_CUDA iSTD 34843 27452 28629 22154 18685 17419 21024 18819 22820 26025 19806 20625 1_FA (16:0)-d3 iSTD 9672261 5157250 5949897 4799937 4792704 5382750 6155714 5598606 5922611 5725830 5652357 5166702 1_LPC (17:0) iSTD 67930 24322 24432 22437 20266 24507 27714 24926 25621 23259 25141 21212 1_LPE (17:1) iSTD 54355 23248 25710 19904 19495 23361 26345 23476 24934 23350 25302 21197 1_MAG (17:0/0:0/0:0) iSTD 1122869 399021 435162 385358 366440 408488 554897 454131 524230 463456 500627 418899 1_PC (12:0/13:0) iSTD 8263 3006 3494 2772 2517 2951 3456 3088 3219 2994 3147 2604 1_PE (17:0/17:0) iSTD 86622 46196 31632 35201 25848 33061 33661 30989 29898 37715 28953 28727 1_PG (17:0/17:0) iSTD 954472 408630 474570 363165 402757 496306 584412 473900 521877 496166 521952 431396 1_SM (d18:1/17:0) iSTD 26200 8617 7478 7636 4607 4409 4570 4400 4260 5334 3557 3576 Ceramide (d32:1) 972 405 3178 4140 11989 15697 13471 12752 15992 13728 19653 15069 Ceramide (d34:0) 10147 3226 6248 7975 34759 40024 76755 46819 116476 59749 161356 89334 Ceramide (d34:1) 24347 8059 101854 118941 384461 479193 473534 415341 585141 474048 719590 579823 Ceramide (d34:2) 1008 683 3281 5927 9932 15321 8212 9382 10420 11107 12250 11977 Ceramide (d36:1) 2114 1185 5253 4655 48664 44612 66137 50720 89187 59801 109412 72939 Ceramide (d38:1) 478 307 706 554 6657 6209 11772 6615 17314 8042 22448 11118 Ceramide (d40:0) 1108 723 1199 2465 6617 5816 15046 6694 26099 9615 41575 14652 Ceramide (d40:1) 2841 1293 7896 7078 91752 84794 154358 86336 217917 116001 287867 155124 Ceramide (d40:2) 313 204 976 807 5833 4829 7914 5379 10214 6388 13937 9866 Ceramide (d42:0) 921 825 1488 1464 8828 7230 16147 7316 29598 10375 47735 16043 Ceramide (d42:1) 8291 3625 22293 20367 195412 196041 311474 186869 467797 254957 611033 363478 Ceramide (d42:2) A 7755 3157 18187 18959 154354 180324 251317 187572 342128 250986 436410 351866 8.51_711.63 1569 721 3821 3509 23560 24830 32699 23756 37941 27971 39874 35622 7.82_709.61 1796 711 4496 3946 19041 20881 24188 22868 27563 25424 28952 30349 1.73_478.29 791 630 3098 3197 6839 7814 6645 9009 9827 4804 12920 7432 1.82_436.28 309 163 1436 678 7343 6159 7805 3430 8546 3272 12738 5954 4.86_687.54_4.86_747.56 5291 2776 9045 9783 12386 14496 13248 13723 14374 14830 15683 14759 SM (d34:1) 44821 20746 85746 90992 110582 133795 119170 126302 128126 128969 136767 136186 4.96_681.51 345 377 635 625 3334 3558 3520 2744 3689 3048 3761 3370 5.13_758.58 _5.13_734.53 9194 3519 27861 24317 120707 130647 113522 101166 100139 86384 103391 101210 PC (36:1) 10198 4263 29011 26443 68164 68852 73547 56387 83807 62098 96936 70922 6.50_744.55 11140 4498 27929 24030 83461 85282 102773 78479 118887 86461 146591 108266 7.26_680.58_7.27_704.62 678 680 2400 2656 13227 15342 17067 13688 20352 14359 25057 19436 8.06_684.60 516 378 805 1171 4153 4411 10826 6017 21519 8929 34943 16324 FA (14:0) 26460 11020 11508 9687 11121 14490 16079 15745 14572 11184 21696 12709 FA (15:0) 6395 3507 2853 2711 2710 4872 5288 4847 4799 2620 6223 5410 FA (16:0) 269994 221120 150811 200322 199175 237654 207996 215471 208289 160298 368747 192240 FA (16:1) 6032 3414 6726 4827 6013 10191 11044 9171 10192 8056 12091 12909 FA (17:0) A 24076 12778 12322 9733 11550 14627 14314 16261 14232 13675 18868 14546 FA (18:0) 1988862 1058593 787239 942307 961860 1217229 1124748 1176360 1131746 795038 1909838 911833 FA (18:1) 148045 61680 105238 61922 150637 171310 178465 162356 209431 193185 233495 206782 FA (20:0) 31446 16398 12263 14953 14934 20305 18638 18955 19791 11648 36294 15821 FA (20:1) 1553 1006 1734 1363 3581 4544 4096 2834 5744 2572 7691 4555 FA (22:0) 5543 4236 2736 4074 7188 7865 8307 7307 9483 4034 5246 7778 FA (22:1) 3752 2578 2050 1454 1953 2569 4599 2800 4396 2366 6453 3392 FA (24:0) 6813 7946 6081 8145 37004 36461 48899 33788 61718 27917 83266 36741 FA (24:1) 534 240 839 805 4830 5022 7004 4061 10791 3833 20784 10265 FA (26:0) 3492 3429 1482 3088 4205 4552 5201 5024 5276 2725 8189 4652 FA (17:0) B 5788 3661 3755 3265 3737 3514 4213 4171 4323 4057 4266 3720 GlcCer (d38:1) 254 160 625 318 3200 2853 3719 2508 3174 2348 3496 3186 GlcCer (d40:1) 2489 1184 5939 5643 46963 42642 53616 36373 49634 33474 51136 41828 GlcCer (d42:1) 6330 2600 14891 14564 83847 77485 83431 62726 66732 52259 63934 55734 GlcCer (d42:2) 3578 1345 6289 6499 38015 45002 45969 40791 44219 40820 49269 59427 LPC (16:0) 831 399 1522 1018 3324 4333 2828 1744 4114 1990 5070 2650 LPC (18:0) B 341 150 1075 631 3142 2692 3170 1916 4149 1838 5606 2562 2.38_480.31 634 294 2225 1139 7896 6464 7903 4000 9021 3700 12174 6043 2.70_464.32 406 238 1237 700 6286 5256 6338 2671 6673 2600 8630 4093 1.61_478.29 884 793 3535 3821 12967 11957 11570 12510 15385 7364 19981 10122 PC (32:0) 2021 1156 4824 4625 7970 9324 7815 6658 9016 7399 10356 8871 PC (32:2) 1250 416 1406 1356 4062 4866 3452 3367 2955 2882 2811 3098 PC (36:2) 16859 7507 28356 28297 37010 49956 36661 37294 43011 40377 48299 46075 PC (38:2) 1372 653 2401 2623 3350 4723 3159 3450 3668 3661 4209 4265 PC (p-34:0) or PC (o-34:1) 2016 1094 7246 6403 18297 19106 16725 14135 19102 14716 21164 15921 PC (p-34:1) or PC (o-34:2) B 891 224 1482 1158 5530 4468 5402 3552 4844 3508 5236 3670 PE (34:1) 8870 4691 17350 14521 55080 55193 65708 51107 72219 55037 82194 60348 PE (p-34:1) or PE (o-34:2) 31729 18298 106348 83112 345337 339683 345771 229511 347822 228643 385155 250716 PE (p-34:2) or PE (o-34:3) 770 332 969 1108 6561 8285 6930 3193 7677 2604 9628 4913 PE (p-36:1) or PE (o-36:2) 18763 7087 62218 50689 209755 207714 206006 144608 199225 142560 217873 152556 SM (d32:1) 1323 719 2981 3405 5021 7589 5674 5563 5771 5795 6287 6154 SM (d34:0) 1784 618 5497 5901 11572 11608 18079 15046 21980 17482 24520 18499 SM (d34:2) 1793 1062 4181 5811 3856 6579 4048 5365 3918 5802 4874 5812 SM (d36:1) 846 309 2244 2323 5898 6359 8368 6649 9997 7806 12119 9777 SM (d40:1) 2107 991 5753 5070 13296 13429 17753 12641 19589 13989 23017 15941 SM (d42:2) A 5988 2518 11939 12094 21582 26708 29617 26600 34623 31656 40871 38694 2.45_391.29 31338 22763 23975 23090 23745 23655 25303 23218 24770 25373 24539 22472 2.45_367.24 25407 9275 10986 8395 8917 10310 12469 10332 11413 10916 10887 9601 7.58_1032.76 416 251 586 683 2096 2180 3304 2168 3778 2650 4757 3211 7.58_1008.71 658 328 865 1139 4549 4290 6680 4232 8479 5219 10878 7140 7.84_646.61 314 216 645 558 3176 3777 5590 3983 8279 5492 11701 7710 6.82_810.56 1755 777 4533 3769 3094 10599 10491 8279 10272 7754 2925 4058 6.83_786.52 866 491 2095 1883 4751 4596 4608 3840 4425 3860 4690 3748 2.45_340.26 111643 65887 73088 65186 63923 68073 75167 69218 72962 70543 69904 66523 2.45_316.21 12723 3153 4595 3455 3343 3828 4731 3986 4432 4269 4225 3692 5.13_698.56 851 398 1741 1648 5248 5569 4643 4389 3748 3778 3862 3701 11.57_391.29 124256 100746 105400 99595 104457 107812 108045 106281 112793 108172 108080 104818 11.57_367.24 32627 28198 30116 27309 28727 29149 30423 29094 29952 28029 30014 28608 7.58_972.73 1096 573 1615 1631 7661 7662 11166 7387 13309 9668 17241 12083 6.32_825.60 390 315 719 699 3357 3306 4657 3181 4778 3091 5419 3209 3.98_915.60 50624 18823 19700 17611 16078 17778 20048 18092 18397 16512 18883 16704 3.97_913.58 5644 2347 2526 2270 2253 2332 2441 2527 2341 2158 2358 2375 4.99_1191.77 3796 1808 2094 1884 3326 3942 4457 3716 4462 3385 4745 4034 4.98_1189.76 3391 1409 2205 1894 3326 3831 4175 3565 4069 3314 4432 3553 11.22_505.37 19875 3097 13396 13274 3460 14754 15113 13993 14749 14100 14644 13654 11.05_505.37 3063 2333 3000 2519 14216 15720 16324 15007 23776 14405 19483 19694 5.37_505.37 35334 23749 28386 24884 35837 29143 31947 28797 34260 33627 27042 28241 5.26_505.37 57071 45901 52619 52273 59691 59505 58834 56279 60252 57901 59526 56560 5.21_491.36 26130 25235 23332 27929 28785 28760 29546 27368 30165 29696 29741 27544 5.56_391.29 49702 41577 38827 39168 34063 33397 34147 33892 33094 35185 31993 32132 5.38_391.29 31835 26972 28305 27577 26904 26617 26726 26673 26234 27204 25366 24660 5.56_377.27 13665 11434 10767 10725 3142 5089 4257 8827 4233 9371 6840 2957 5.68_377.27 7608 7706 4200 3235 11611 12461 11681 3468 12872 9946 15217 9536 4.07_442.40 179557 48476 53298 45821 45284 54328 72067 57307 67242 59496 64160 50715 3.98_442.40 12165 54433 3930 51584 52544 3950 4745 64846 4764 4346 4514 58003 5.68_391.29 21049 15492 15264 12467 24963 26157 24539 12867 25959 13574 28229 22253 4.87_1191.77 4663 1483 3391 2833 2756 2894 3333 3142 2957 2794 3070 2886 3.08_258.25 49133 17537 20957 4888 15121 17529 22336 19148 20120 20751 20079 18087 3.19_258.25 49161 4869 7271 4454 13366 4399 22298 16525 20901 18050 19312 15434 11.40_391.29 74213 6762 4768 5074 6145 6416 71241 67833 85030 7103 76481 72905 6.42_367.24 14906 15461 16781 17350 14244 14697 14255 15587 7972 15226 11560 6219 6.54_367.24 8578 6700 8278 6853 14503 14376 14773 15944 14062 15219 15128 14968 7.29_654.56 420 347 993 807 6628 7152 9636 6301 11846 6563 15814 8646 11.22_391.29 84558 66772 66163 67709 69219 71835 70670 67427 70843 71210 70978 66490 11.05_391.29 8023 61935 7587 6195 69605 73688 75439 71741 101239 72503 84368 83967 0.54_146.97 4585 6972 11820 10693 10379 7007 11828 5709 9881 7726 5481 3867 0.54_203.08 31308 13292 8388 6222 5324 4361 7070 3960 6063 3939 5818 4057 0.55_130.09 85568 34488 10424 7129 5057 3839 6279 2343 4590 1960 5036 1867 0.55_160.04 7912 3738 9461 6768 12761 8881 16129 11692 18729 13640 20918 14871 0.56_151.04 4449 2364 5217 3151 7901 7194 8562 6491 8276 8089 7974 7048 0.56_308.04 5024 3751 8232 6063 8590 5762 9457 4423 9751 7159 9508 6905 0.57_116.05 7415 3580 6376 4580 7361 6870 8529 6175 10460 7496 10710 8688 0.57_187.13 3656 1236 827 1108 1998 2029 4222 2707 5231 3508 5748 3604 0.57_190.05 4199 1945 7843 5334 8366 7166 8230 4967 9822 6956 10125 7069 0.57_245.04 23221 12166 27938 18763 39356 40882 48179 29691 58796 39342 61672 42721 0.58_127.00 3106 3630 3326 3591 5751 8240 6147 7910 5975 5610 6289 5573 0.58_141.02 38647 43396 32660 43827 56346 81782 59225 81165 61318 51784 66906 64859 0.58_174.06 101355 54488 115829 84082 141568 128780 171824 111283 191946 139123 193568 157456 0.60_144.05 105537 36107 31821 23669 18328 21580 14074 13292 14313 11353 14725 10109 0.61_213.15 3286 1197 461 935 1639 1594 2937 2841 3321 2402 3655 3007 0.61_235.08 3077 1592 12381 8661 14893 9944 15082 10873 14444 7875 13647 7369 0.61_373.20 2078 976 4527 1950 2617 1214 2900 2562 3848 2795 3901 2810 0.62_351.18 946 459 1896 1229 4011 2656 7487 3841 9471 5174 9203 6275 0.63_253.18 3922 1454 4767 4467 5430 4950 6798 6331 8585 8455 9546 8696 0.66_249.15 6909 3612 1573 2407 3163 4666 4331 4417 3157 2018 4816 4017 0.66_349.17 737 388 2050 1393 7998 5841 18178 14610 23984 21125 29023 25057 0.69_227.03 28110 10305 11715 9047 11316 11820 13383 10313 14967 10596 17682 12694 0.70_157.12 3835 2361 851 1932 2879 8608 1101 3462 816 2242 3156 2336 0.71_190.04 4772 1120 4050 1917 4852 4201 5652 4045 6598 3504 6972 3730 0.72_277.18 6987 5158 3060 2958 3812 4765 4702 3541 7181 3135 4029 3561 0.75_265.15 3579 7831 3772 4475 6171 9252 11934 8825 8273 2461 8403 6284 0.84_311.17 12241 16071 9588 18417 11838 14833 18537 21601 14549 9322 25774 12379 0.84_421.15 36212 19709 9685 8973 7805 9431 7606 7800 9015 8473 9058 8925 0.85_274.25 13555 5547 6663 5254 4963 5578 7144 5871 6591 6333 6048 5201 0.98_293.18 3259 3305 1031 1969 2692 4115 5027 4964 3445 877 4170 2908 1.00_325.18 11730 10463 5579 10478 7198 8699 10593 13166 8412 5097 15406 7084 1.21_333.23 39334 18739 26629 14344 12560 23907 8864 18552 7268 19060 5289 13230 1.24_478.26 222 276 887 826 2464 2698 2514 1966 2981 1397 2563 2242 1.41_473.28 7509 2139 2152 2286 2432 4213 4347 3437 5446 4414 6521 4960 1.56_369.30 39577 10376 11589 8885 9539 9848 13480 11242 13153 10988 12318 10434 1.58_489.28 12245 4535 3333 2524 4301 3540 4094 3827 4783 3216 6041 2669 1.84_506.29 1197 1599 5103 5149 14197 18009 14978 11982 16405 7782 13577 12382 2.18_481.33 6339 2228 2425 2336 2040 2375 2384 2527 2442 2356 2398 2441 2.33_248.97 77849 13029 17546 77307 77037 13607 13770 17214 76541 13185 74875 13843 2.45_258.40 681992 373961 428263 348557 348966 392551 448016 407969 433397 410414 407414 372130 2.45_304.26 10290 8219 8649 8717 8846 8363 8789 8460 8785 8937 8486 8275 2.45_358.17 6722 3375 4092 1788 1890 3055 3118 4580 3828 4107 4055 2243 2.45_416.24 4404 5361 5506 4484 4322 4986 5438 5853 5107 4055 5023 5146 2.45_443.30 12554 4363 5898 4399 4055 5037 6446 5121 6186 5574 5725 4400 2.45_517.51 213508 79923 100381 70810 70879 83173 102607 91200 97558 91834 90062 80227 2.45_539.49 80242 35831 43177 33912 33376 37344 43930 40274 41930 41129 38611 36647 2.45_590.53 59364 25962 31255 24678 23814 27877 33864 28420 31740 30734 31107 25205 2.45_615.48 6133 5413 6478 4568 4179 5598 6434 5734 5938 4701 5746 5690 2.45_621.50 11879 3402 4114 3414 3594 3594 4605 3516 4108 4028 3708 3253 2.45_814.72 2969 2273 2816 1992 1677 2393 2634 2575 2285 2087 2440 2306 2.46_514.49 10668 7908 5078 6247 5791 8655 7478 6758 6572 5167 11341 5962 2.46_1179.25 2807 2428 2751 2480 2645 2538 2915 2756 2521 2625 2400 2681 2.47_337.24 3702 3508 2642 3490 3385 3771 3360 3675 3385 2640 5365 3126 2.47_356.24 8168 8231 8177 7663 8251 7272 8368 7939 7763 8529 8121 8459 2.47_536.47 4598 3435 2701 3063 3270 3742 3216 3668 3188 2728 5418 3215 2.62_894.55 59066 1748 2011 1626 1293 2319 2510 2321 2702 2472 3725 2417 2.63_681.30 31492 3653 2727 3105 2633 3502 3779 3569 4046 3474 3149 3763 2.64_673.26 33514 2623 1819 2286 1852 2360 2545 2666 2367 2453 3783 2692 2.71_691.40 8479 3910 4511 3619 3843 4095 4513 3999 4101 3739 4220 3607 2.79_283.26 10482 8691 8881 10247 10807 9630 9435 9630 10795 10954 9908 9212 2.80_415.31 21264 14855 21087 8996 9354 17728 6427 12463 7762 12486 7656 11462 2.91_274.28 18434 5978 7231 5377 5335 6286 7526 6316 8035 6830 6872 5775 3.06_242.18 2672 2508 1799 6279 2583 1318 5452 1068 1126 1579 2991 1382 3.08_379.26 161581 56411 59219 54491 52815 56822 71426 60702 68046 61032 65360 57381 3.08_381.26 51247 18376 19123 17889 16553 18571 23505 19099 21967 20130 21181 18785 3.08_389.29 101161 54772 58904 52402 52036 55565 68212 60833 66669 62676 64998 56937 3.08_602.54 8472 2137 2696 1883 1837 2098 3021 2575 3045 2595 2484 2222 3.09_391.29 66370 56642 57531 59591 58513 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63728 63722 4.95_659.51 337 222 827 809 3396 4771 6157 3630 10172 4553 17753 8226 4.96_369.24 3464 2016 2454 2798 27335 29444 29125 22015 33834 24725 39427 29863 4.96_445.22 798 564 546 743 4013 4704 4507 3775 4742 4037 4780 4457 4.99_969.61 17007 7355 10011 8744 21563 24517 27879 22466 29598 22622 31988 24827 5.04_872.56 859 316 1520 1182 2757 2893 2751 2332 2737 2138 2575 2207 5.07_554.48 127 126 315 324 2275 2862 2525 2231 2921 2461 3527 2852 5.07_585.33 23273 8237 16616 12191 36879 40804 45805 38843 45595 37819 46581 40348 5.07_621.31 20876 7193 12895 10275 4942 4592 5526 6350 4452 6015 4414 5035 5.07_623.30 11655 4351 7225 5744 2969 2847 2839 3475 2711 3641 2541 2985 5.13_744.56 605 333 1391 1265 6019 7254 6007 5437 4804 4218 5105 5163 5.15_248.97 43779 18630 82491 15947 77170 72182 71260 73620 70118 73795 68785 70190 5.19_367.24 16112 16166 15001 17709 9987 8323 4570 5529 3553 9971 3052 4633 5.25_831.54 11062 6554 6164 5681 4333 4723 5224 4746 4742 5186 4407 4425 5.25_849.46 7081 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3068 2225 2559 2374 7.20_782.65 352 195 595 652 3255 3165 3819 2719 3719 2440 3526 2890 7.50_248.97 97174 5550 7210 6439 10220 96873 94732 96958 94866 7206 10822 95676 7.62_367.24 3894 3065 5644 13869 18958 18971 19695 18519 20030 18845 19213 19173 7.63_859.69 958 417 2300 2563 6245 6325 7658 5168 8208 5989 9378 6326 7.63_955.71 788 402 1714 1614 4133 4164 5082 3437 5171 3833 5643 4148 7.74_391.29 36337 6029 32327 33346 33662 6713 33345 31988 33574 34471 33747 5556 7.74_731.56 10389 4005 4645 3474 3814 4377 4743 4383 4595 3849 4515 4117 7.83_806.60 1487 645 2724 3457 17721 19745 22562 19304 26580 25741 29171 27561 7.84_692.62 816 455 1729 1848 14733 17492 29043 17809 44226 25646 67386 40845 7.85_760.61 443 430 395 400 2758 3152 3592 3080 4191 3319 4245 4054 7.86_666.60 280 222 808 724 8871 8580 17617 8801 27968 11909 40901 17652 7.86_810.68 632 290 1501 1169 7013 6446 7261 5378 6258 4908 6501 5585 7.87_620.60 228 148 354 203 2084 2072 3905 2048 5763 2559 8129 4161 7.88_780.58 406 405 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6.36_832.61 1584 740 3266 3078 7952 7682 8812 6168 9718 7018 11040 8218 5.74_830.59 1835 1103 2956 2806 4289 5724 4270 3944 5139 4768 5518 5063 5.16_688.49 1708 931 3216 2390 11839 10579 12360 10154 11573 10353 12720 9324 5.22_714.51 2018 1415 3275 3342 12640 12108 11704 9778 13526 11790 13919 10610 5.88_742.54 21662 10252 46062 39014 111524 132097 125380 105644 138594 107342 158371 129796 4.34_736.51 1108 461 4019 2856 5811 5886 3962 2979 3668 2653 3660 2618 6.51_770.57 986 510 2313 2286 4439 5417 4528 4393 4643 4531 5310 5530 5.04_766.51_5.04_790.56 15228 6739 32123 25412 68339 66441 64918 54138 63219 49057 65076 49915 4.43_762.53 2023 782 5491 4354 15528 14232 12528 9245 9972 6979 9490 6277 5.67_794.55_5.67_818.59 34663 18302 65341 59759 129266 136809 129068 104234 141632 105418 156121 113506 7.20_828.66 384 193 651 638 3711 3033 4017 2681 3561 2288 3866 3006 7.86_856.69 741 436 1796 1644 7822 7449 8263 5756 6878 5186 6794 5647 7.17_854.67 384 211 688 616 2865 3290 3468 2767 3368 2958 3841 4161 4.87_749.54 235 310 2065 1632 9633 8707 10653 5530 12519 5314 16029 12273 4.46_747.52 404 208 1930 2063 14562 15973 25612 16783 42635 24778 61921 36190 4.74_747.52 2051 736 4576 3872 25119 27533 33001 26289 32962 25541 32997 28867 4.29_745.50 371 202 1160 912 4385 5325 5617 5199 4833 4197 4476 5622 5.14_761.56 2313 1319 3895 3505 8605 8792 8090 7598 7066 6299 7398 7067 5.31_775.55 1596 713 3259 2865 11188 12562 13946 11319 17240 12195 19807 15718 4.51_773.53 1056 459 4425 4927 31786 51354 50166 43809 102408 69303 167020 112176 4.82_773.53 1012 334 2365 2166 12244 15516 13398 13780 16347 19822 17408 17589 4.88_821.55 648 519 3009 2425 18178 20179 29331 17780 30137 15149 36508 22768 6.89_847.65 1098 546 2385 1989 2656 4212 3121 2788 3155 4146 3405 4647 6.93_847.66 1098 546 2385 1989 3866 4034 4857 4209 5711 4829 6518 5666 5.48_849.58 635 335 2024 1552 7999 6198 9521 5601 10807 6354 12175 6563 4.93_847.57 349 259 1193 759 6815 9042 8368 6411 13508 9061 17678 10068 3.76_779.47 200 102 366 385 2669 3134 3159 2269 2292 2304 3068 2403 4.22_807.50 362 251 1139 960 6204 4695 7081 5747 8289 6754 9729 8566 4.12_807.50 565 251 959 960 7124 5596 8312 5280 9275 5940 9792 6210 4.59_835.53 6499 2232 20736 15874 86634 69912 110209 61545 118846 69248 133889 69938 4.16_833.52 1108 445 2587 2361 17396 16842 22003 14715 24243 16491 25807 18821 5.32_863.56 873 343 1932 1746 5255 4396 7058 4014 7847 4810 9060 4812 5.16_863.57 3786 2109 12093 9973 30808 28744 44546 27585 56918 38794 72458 42288 4.65_861.55 11585 4133 26903 23117 109103 119839 154809 101332 186229 125005 223777 151006 4.85_861.56 1548 595 3773 3057 3863 4826 4480 11473 7294 6306 6004 16011 5.39_889.58 1188 661 2213 1945 5219 5991 6792 5296 7828 6940 9358 8260 4.87_887.56 554 207 894 739 2548 4033 3357 3169 3714 3299 4924 4041 4.99_915.60 54617 22185 29857 27566 67129 78486 86478 69840 93036 69085 98765 77845 5.83_762.56 415 222 1593 1099 9458 9074 10434 7809 8504 6665 9010 7481 5.42_776.58 982 673 2885 2615 8369 8310 7755 6707 8774 6633 10038 7037 6.12_830.63 970 608 1626 2001 2608 3841 2744 2868 2989 3192 3745 3297 6.77_832.64 528 287 1529 1296 4978 5346 5015 3760 5645 4001 7021 4899 5.65_862.58 900 375 1238 6326 13382 9647 8637 6076 16537 5648 12679 3970 5.47_672.50 7498 3292 31231 22758 90367 81475 92009 60284 89752 58591 97493 59555 5.67_672.50 485 242 1371 1029 3835 4461 4268 4061 5323 3718 6597 3584 6.26_702.54 3406 1958 11345 8144 23347 17021 24268 13559 24124 12811 27894 13932 5.53_698.51 2380 1181 7256 5703 16869 17845 16920 14489 17323 13883 17921 15847 6.00_698.50 204 144 496 524 3505 3897 6232 3916 9220 5634 11040 6895 6.94_730.57 1785 660 6247 4678 17650 13296 17783 9124 19188 9361 22340 10376 6.20_726.54 15097 6953 38343 32535 98194 115476 97643 87069 98030 86944 110375 98670 7.48_756.59 1539 779 2784 2448 7817 8896 8040 6361 8388 6389 10041 7014 6.83_754.57 1555 642 2986 2848 4944 6253 3853 4725 4444 4499 4909 5467 8.12_784.62 317 239 668 738 2427 2628 2927 1490 3267 1978 3606 2407 5.81_798.53 696 377 1162 1122 3086 3038 3402 2840 3655 2967 3937 3181 5.24_810.52 757 846 1843 1567 3365 2948 2805 2270 2898 2479 3115 2520 5.14_858.54 758 381 2812 2188 8598 7868 7177 6762 6128 6262 6561 5513 5.68_888.60 572 332 872 2677 5086 5183 3527 3363 6475 2955 5019 2536 7.86_952.71 440 252 956 750 3930 3385 4288 3178 3596 2845 3765 3032 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name retention index quantified m/z PubChem ID KEGG ID 1_Ceramide (d18:1/17:0) iSTD 6.12 586.4971 1_Ceramide (d18:1/17:0) iSTD 6.12 610.5413 1_CUDA iSTD 0.68 339.2651 1_FA (16:0)-d3 iSTD 2.46 258.252 1_LPC (17:0) iSTD 1.92 568.3613 1_LPE (17:1) iSTD 1.41 464.2781 1_MAG (17:0/0:0/0:0) iSTD 3.08 403.3069 1_PC (12:0/13:0) iSTD 3.56 694.4658 1_PE (17:0/17:0) iSTD 6.42 718.5383 1_PG (17:0/17:0) iSTD 5.25 749.5342 1_SM (d18:1/17:0) iSTD 5.19 775.595 Ceramide (d32:1) 5.07 544.4498 Ceramide (d34:0) 6.005 574.4966 Ceramide (d34:1) 5.76 572.4814 Ceramide (d34:2) 5.175 570.4649 Ceramide (d36:1) 6.475 600.512 Ceramide (d38:1) 7.18 628.5434 Ceramide (d40:0) 8.08 682.6121 Ceramide (d40:1) 7.87 656.5751 Ceramide (d40:2) 7.18 654.5609 Ceramide (d42:0) 8.72 686.621 Ceramide (d42:1) 8.51 684.6067 Ceramide (d42:2) A 7.835 706.6324 8.51_711.63 8.51 711.6274 7.82_709.61 7.82 709.6115 1.73_478.29 1.73 478.294 1.82_436.28 1.82 436.283 4.86_687.54_4.86_747.56 4.86 687.5426 SM (d34:1) 4.86 737.536 4.96_681.51 4.96 681.5065 5.13_758.58 _5.13_734.53 5.13 758.5779 PC (36:1) 6.35 822.5778 6.50_744.55 6.5 744.5544 7.26_680.58_7.27_704.62 7.265 680.5756 8.06_684.60 8.06 684.6038 FA (14:0) 1.64 227.2016 FA (15:0) 2.02 241.2171 FA (16:0) 2.47 255.2335 FA (16:1) 1.86 253.2176 FA (17:0) A 2.93 269.2487 FA (18:0) 3.24 283.2644 FA (18:1) 2.69 281.249 FA (20:0) 3.81 311.2955 FA (20:1) 3.31 309.2801 FA (22:0) 4.48 339.3267 FA (22:1) 3.86 337.3112 FA (24:0) 5.22 367.3577 FA (24:1) 4.5 365.3423 FA (26:0) 6.03 395.3888 FA (17:0) B 3.08 269.2482 GlcCer (d38:1) 6.51 790.5952 GlcCer (d40:1) 7.2 818.6269 GlcCer (d42:1) 7.86 846.6588 GlcCer (d42:2) 7.17 844.6454 LPC (16:0) 1.56 554.3454 LPC (18:0) B 2.33 582.3764 2.38_480.31 2.38 480.3089 2.70_464.32 2.7 464.3152 1.61_478.29 1.61 478.293 PC (32:0) 5.59 792.5746 PC (32:2) 4.53 788.5432 PC (36:2) 5.74 844.6074 PC (38:2) 6.37 872.6373 PC (p-34:0) or PC (o-34:1) 6.07 804.611 PC (p-34:1) or PC (o-34:2) B 5.98 802.5958 PE (34:1) 5.82 716.523 PE (p-34:1) or PE (o-34:2) 6.15 700.5285 PE (p-34:2) or PE (o-34:3) 5.69 698.5108 PE (p-36:1) or PE (o-36:2) 6.83 728.5599 SM (d32:1) 4.24 733.5488 SM (d34:0) 5.1 763.596 SM (d34:2) 4.34 759.5651 SM (d36:1) 5.55 789.611 SM (d40:1) 6.95 845.674 SM (d42:2) A 6.92 871.6909 2.45_391.29 2.45 391.2884 2.45_367.24 2.45 367.2443 7.58_1032.76 7.58 1032.7551 7.58_1008.71 7.58 1008.7106 7.84_646.61 7.84 646.613 6.82_810.56 6.82 810.5639 6.83_786.52 6.83 786.5172 2.45_340.26 2.45 340.2552 2.45_316.21 2.45 316.2102 5.13_698.56 5.13 698.5566 11.57_391.29 11.57 391.2888 11.57_367.24 11.57 367.244 7.58_972.73 7.58 972.7344 6.32_825.60 6.32 825.5988 3.98_915.60 3.98 915.5984 3.97_913.58 3.97 913.5826 4.99_1191.77 4.99 1191.7682 4.98_1189.76 4.98 1189.7567 11.22_505.37 11.22 505.3741 11.05_505.37 11.05 505.3749 5.37_505.37 5.37 505.3745 5.26_505.37 5.26 505.3747 5.21_491.36 5.26 491.3589 5.56_391.29 5.56 391.2882 5.38_391.29 5.38 391.2883 5.56_377.27 5.56 377.2721 5.68_377.27 5.68 377.2727 4.07_442.40 4.07 442.3978 3.98_442.40 3.98 442.3981 5.68_391.29 5.68 391.2884 4.87_1191.77 4.87 1191.7706 3.08_258.25 3.08 258.2517 3.19_258.25 3.19 258.2519 11.40_391.29 11.4 391.2885 6.42_367.24 6.42 367.2437 6.54_367.24 6.54 367.2438 7.29_654.56 7.29 654.5588 11.22_391.29 11.22 391.2885 11.05_391.29 11.05 391.2887 0.54_146.97 0.54 146.9658 0.54_203.08 0.54 203.0824 0.55_130.09 0.55 130.0876 0.55_160.04 0.55 160.0409 0.56_151.04 0.56 151.0404 0.56_308.04 0.56 308.0353 0.57_116.05 0.57 116.054 0.57_187.13 0.57 187.1334 0.57_190.05 0.57 190.0505 0.57_245.04 0.57 245.0395 0.58_127.00 0.58 127.0013 0.58_141.02 0.58 141.0169 0.58_174.06 0.58 174.0563 0.60_144.05 0.6 144.0457 0.61_213.15 0.61 213.1499 0.61_235.08 0.61 235.0838 0.61_373.20 0.61 373.2018 0.62_351.18 0.62 351.1814 0.63_253.18 0.63 253.1806 0.66_249.15 0.66 249.1481 0.66_349.17 0.66 349.1658 0.69_227.03 0.69 227.0286 0.70_157.12 0.7 157.1232 0.71_190.04 0.71 190.0358 0.72_277.18 0.72 277.1802 0.75_265.15 0.75 265.1483 0.84_311.17 0.84 311.1689 0.84_421.15 0.84 421.1549 0.85_274.25 0.85 274.2469 0.98_293.18 0.98 293.1798 1.00_325.18 1 325.1843 1.21_333.23 1.21 333.2283 1.24_478.26 1.24 478.2566 1.41_473.28 1.41 473.2818 1.56_369.30 1.56 369.3008 1.58_489.28 1.58 489.277 1.84_506.29 1.84 506.288 2.18_481.33 2.18 481.3322 2.33_248.97 2.33 248.9733 2.45_258.40 2.45 258.3977 2.45_304.26 2.45 304.257 2.45_358.17 2.45 358.1725 2.45_416.24 2.45 416.2409 2.45_443.30 2.45 443.3022 2.45_517.51 2.45 517.5107 2.45_539.49 2.45 539.4924 2.45_590.53 2.45 590.5257 2.45_615.48 2.45 615.4788 2.45_621.50 2.45 621.4953 2.45_814.72 2.45 814.7155 2.46_514.49 2.46 514.4911 2.46_1179.25 2.46 1179.2537 2.47_337.24 2.47 337.2365 2.47_356.24 2.47 356.2359 2.47_536.47 2.47 536.4731 2.62_894.55 2.62 894.5496 2.63_681.30 2.63 681.2972 2.64_673.26 2.64 673.2644 2.71_691.40 2.71 691.3975 2.79_283.26 2.79 283.2643 2.80_415.31 2.8 415.3063 2.91_274.28 2.91 274.2802 3.06_242.18 3.06 242.1764 3.08_379.26 3.08 379.2621 3.08_381.26 3.08 381.2596 3.08_389.29 3.08 389.2907 3.08_602.54 3.08 602.5426 3.09_391.29 3.09 391.2888 3.09_463.33 3.09 463.3268 3.09_505.37 3.09 505.3742 3.20_367.24 3.2 367.244 3.20_369.24 3.2 369.2417 3.23_283.42 3.23 283.4169 3.23_351.25 3.23 351.2515 3.23_365.27 3.23 365.2672 3.23_567.53 3.23 567.535 3.23_589.52 3.23 589.5164 3.32_248.97 3.32 248.9738 3.33_417.32 3.33 417.3217 3.56_543.43 3.56 543.4293 3.63_391.29 3.63 391.2885 3.63_505.37 3.63 505.3742 3.64_431.14 3.64 431.14 3.64_655.42 3.64 655.4194 3.64_967.57 3.64 967.5699 3.68_445.24 3.68 445.2357 3.69_479.22 3.69 479.2245 3.70_443.24 3.7 443.2413 3.71_363.19 3.71 363.1851 3.71_407.25 3.71 407.2475 3.85_987.62 3.85 987.6193 3.99_951.57 3.99 951.5748 3.99_978.59 3.99 978.5938 4.07_478.37 4.07 478.374 4.33_391.29 4.33 391.2885 4.34_449.31 4.34 449.312 4.34_463.33 4.34 463.3276 4.34_505.37 4.34 505.3743 4.58_1135.71 4.58 1135.707 4.58_1171.68 4.58 1171.6846 4.59_917.54 4.59 917.5361 4.65_491.36 4.65 491.3586 4.65_505.37 4.65 505.3735 4.65_943.55 4.65 943.5519 4.66_1119.71 4.66 1119.7128 4.66_1155.69 4.66 1155.6892 4.66_1182.71 4.66 1182.7087 4.76_100.93 4.76 100.934 4.77_158.98 4.77 158.9757 4.84_367.24 4.84 367.2437 4.85_1173.76 4.85 1173.7579 4.86_843.58 4.86 843.5828 4.89_248.97 4.89 248.9738 4.89_860.61 4.89 860.6096 4.89_896.59 4.89 896.5865 4.92_449.31 4.92 449.3117 4.93_672.41 4.93 672.4146 4.94_463.33 4.94 463.3276 4.95_491.36 4.95 491.359 4.95_505.37 4.95 505.3746 4.95_659.51 4.95 659.5112 4.96_369.24 4.96 369.2416 4.96_445.22 4.96 445.2212 4.99_969.61 4.99 969.6089 5.04_872.56 5.04 872.5632 5.07_554.48 5.07 554.478 5.07_585.33 5.07 585.3284 5.07_621.31 5.07 621.3052 5.07_623.30 5.07 623.3037 5.13_744.56 5.13 744.5617 5.15_248.97 5.15 248.9739 5.19_367.24 5.19 367.2439 5.25_831.54 5.25 831.5359 5.25_849.46 5.25 849.4595 5.41_481.33 5.41 481.33 5.47_754.51 5.47 754.5055 5.51_491.36 5.51 491.3585 5.51_1173.76 5.51 1173.7596 5.56_258.25 5.56 258.2519 5.56_283.26 5.56 283.264 5.56_463.33 5.56 463.3269 5.56_1175.78 5.56 1175.7772 5.59_685.66 5.59 685.6609 5.62_248.97 5.62 248.974 5.66_505.37 5.66 505.3747 5.67_900.59 5.67 900.5944 5.74_926.61 5.74 926.6091 5.76_536.50 5.76 536.5038 5.76_582.51 5.76 582.5098 5.77_574.48 5.77 574.4805 5.77_599.50 5.77 599.5024 5.77_650.50 5.77 650.4967 5.79_696.49 5.79 696.4875 5.82_248.97 5.82 248.9738 5.86_505.37 5.86 505.3744 5.86_598.50 5.86 598.5036 5.87_463.33 5.87 463.3272 5.88_491.36 5.88 491.3582 5.92_367.24 5.92 367.2441 6.00_601.52 6 601.5157 6.01_584.52 6.01 584.5248 6.05_391.29 6.05 391.2883 6.11_664.51 6.11 664.5129 6.12_550.52 6.12 550.5195 6.12_596.53 6.12 596.5257 6.12_710.50 6.12 710.5021 6.13_613.52 6.13 613.518 6.13_690.53 6.13 690.5324 6.18_505.37 6.18 505.3746 6.19_491.36 6.19 491.359 6.20_808.55 6.2 808.5472 6.26_367.24 6.26 367.2437 6.35_928.63 6.35 928.6262 6.37_463.33 6.37 463.328 6.41_505.37 6.41 505.3747 6.42_800.54 6.42 800.54 6.43_491.36 6.43 491.3586 6.45_100.93 6.45 100.9341 6.46_377.27 6.46 377.2728 6.47_627.53 6.47 627.5314 6.47_724.52 6.47 724.5179 6.48_158.98 6.48 158.9756 6.48_610.54 6.48 610.5406 6.51_391.29 6.51 391.2885 6.78_158.98 6.78 158.9754 6.83_505.37 6.83 505.3743 6.85_574.61 6.85 574.6121 6.85_610.59 6.85 610.5884 6.86_759.66 6.86 759.6595 6.89_970.72 6.89 970.7185 6.89_1006.70 6.89 1006.696 6.92_857.67 6.92 857.6748 6.94_529.46 6.94 529.4617 6.95_367.24 6.95 367.2441 6.95_831.66 6.95 831.6566 7.14_772.59 7.14 772.5857 7.17_808.67 7.17 808.6664 7.17_968.65 7.17 968.6497 7.19_942.64 7.19 942.6368 7.20_782.65 7.2 782.6487 7.50_248.97 7.5 248.9738 7.62_367.24 7.62 367.2436 7.63_859.69 7.63 859.6897 7.63_955.71 7.63 955.7087 7.74_391.29 7.74 391.2886 7.74_731.56 7.74 731.5584 7.83_806.60 7.83 806.5965 7.84_692.62 7.84 692.6184 7.85_760.61 7.85 760.6077 7.86_666.60 7.86 666.6036 7.86_810.68 7.86 810.681 7.87_620.60 7.87 620.598 7.88_780.58 7.88 780.5811 8.08_848.67 8.08 848.6744 8.51_648.63 8.51 648.6298 8.51_694.63 8.51 694.6349 8.51_808.61 8.51 808.6125 10.68_391.29 10.68 391.2892 10.97_981.02 10.97 981.0198 11.05_377.27 11.05 377.2733 11.22_158.98 11.22 158.9759 11.22_367.24 11.22 367.2445 11.57_377.27 11.57 377.2729 11.57_491.36 11.57 491.3584 11.57_505.37 11.57 505.3745 12.05_1162.02 12.05 1162.019 12.06_1198.00 12.06 1197.9991 12.12_1190.05 12.12 1190.0526 12.37_1025.96 12.37 1025.9634 10.83_941.76_10.83_965.80 10.83 941.7646 11.22_969.79_11.22_993.83 11.22 969.7893 11.57_997.82_11.57_1021.87 11.57 997.8204 2.64_671.27_2.64_695.31 2.64 671.2664 3.20_433.27_3.20_457.32 3.2 433.2733 3.63_655.27_3.63_679.32 3.63 655.272 3.70_583.38_3.70_607.42 3.7 583.376 4.34_491.36_4.34_515.40 4.34 491.3579 4.97_367.24_4.96_391.29 4.965 367.2437 5.37_736.55_5.37_760.59 5.37 736.5491 6.13_758.49_6.15_782.53 6.14 758.4865 6.50_802.51_6.50_826.56 6.5 802.5118 7.08_703.53_7.08_727.57 7.08 703.5281 2.45_294.23_2.45_354.24 2.45 294.2284 5.88_800.50_5.88_824.54 5.88 800.4985 2.81_269.25 2.81 269.2481 3.09_283.26 3.09 283.264 3.51_297.28 3.51 297.2805 4.52_655.42 4.52 655.4211 6.41_675.50 6.41 675.4962 4.41_721.50 4.41 721.5007 4.23_719.49 4.23 719.4902 4.95_749.53 4.95 749.533 4.05_745.50 4.05 745.5012 4.93_775.55 4.93 775.5489 7.62_849.66_7.62_873.71 7.62 849.6609 4.95_764.55 4.95 764.5451 4.68_760.51 4.68 760.5125 5.25_788.54 5.25 788.5449 4.73_786.53 4.73 786.528 5.67_804.58 5.67 804.5757 5.10_816.58 5.1 816.5759 6.36_832.61 6.36 832.6066 5.74_830.59 5.74 830.5928 5.16_688.49 5.16 688.4915 5.22_714.51 5.22 714.5073 5.88_742.54 5.88 742.5387 4.34_736.51 4.34 736.5122 6.51_770.57 6.51 770.569 5.04_766.51_5.04_790.56 5.04 766.5145 4.43_762.53 4.43 762.5275 5.67_794.55_5.67_818.59 5.67 794.5473 7.20_828.66 7.2 828.6558 7.86_856.69 7.86 856.6872 7.17_854.67 7.17 854.671 4.87_749.54 4.87 749.5366 4.46_747.52 4.46 747.5171 4.74_747.52 4.74 747.5182 4.29_745.50 4.29 745.5031 5.14_761.56 5.14 761.5579 5.31_775.55 5.31 775.5502 4.51_773.53 4.51 773.5336 4.82_773.53 4.82 773.5336 4.88_821.55 4.88 821.5547 6.89_847.65 6.89 847.6519 6.93_847.66 6.93 847.662 5.48_849.58 5.48 849.5846 4.93_847.57 4.93 847.5702 3.76_779.47 3.76 779.4699 4.22_807.50 4.22 807.5016 4.12_807.50 4.12 807.5018 4.59_835.53 4.59 835.5344 4.16_833.52 4.16 833.5178 5.32_863.56 5.32 863.5641 5.16_863.57 5.16 863.5651 4.65_861.55 4.65 861.5493 4.85_861.56 4.85 861.5579 5.39_889.58 5.39 889.5801 4.87_887.56 4.87 887.5647 4.99_915.60 4.99 915.5985 5.83_762.56 5.83 762.5649 5.42_776.58 5.42 776.5793 6.12_830.63 6.12 830.6273 6.77_832.64 6.77 832.6423 5.65_862.58 5.65 862.5801 5.47_672.50 5.47 672.4968 5.67_672.50 5.67 672.4956 6.26_702.54 6.26 702.5428 5.53_698.51 5.53 698.5117 6.00_698.50 6 698.5028 6.94_730.57 6.94 730.574 6.20_726.54 6.2 726.5442 7.48_756.59 7.48 756.5888 6.83_754.57 6.83 754.5704 8.12_784.62 8.12 784.6198 5.81_798.53 5.81 798.5266 5.24_810.52 5.24 810.524 5.14_858.54 5.14 858.5404 5.68_888.60 5.68 888.5953 7.86_952.71 7.86 952.7056 METABOLITES_END #END