#METABOLOMICS WORKBENCH michaelsa93__20160122_153631 DATATRACK_ID:675 STUDY_ID:ST000423 ANALYSIS_ID:AN000672 PROJECT_ID:PR000331 VERSION 1 CREATED_ON July 18, 2016, 2:23 pm #PROJECT PR:PROJECT_TITLE Differences in mycoplasma growth due to different mediums PR:PROJECT_SUMMARY The object is to learn if there are variations in the lipid profiles of the PR:PROJECT_SUMMARY three genomic variants (relative to one another) and if there are difference the PR:PROJECT_SUMMARY lipid profiles due to growth in medium having different supplements. Mycoplasmas PR:PROJECT_SUMMARY are eubacteria, but have only a single plasma membrane and no cell wall. They PR:PROJECT_SUMMARY acquire FAs and cholesterol and other (perhaps many unknown) lipids from the PR:PROJECT_SUMMARY medium which is complex and contains mammalian serum. Various mycoplasma species PR:PROJECT_SUMMARY have been shown to contain a wide spectrum of bacterial lipids, but the PR:PROJECT_SUMMARY composition is unknown for this mycoplasma species. We are particularly PR:PROJECT_SUMMARY interested in ratios of membrane lipids among our strains, in part to gain clues PR:PROJECT_SUMMARY about differences in metabolic pathways pertinent to membrane biogenesisÍž and PR:PROJECT_SUMMARY to predict any underlying features that could relate to the extremely different PR:PROJECT_SUMMARY modes of cell propagation observed among these genomic constructs. 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 Differences in mycoplasma growth due to different mediums ST:STUDY_SUMMARY The object is to learn if there are variations in the lipid profiles of the ST:STUDY_SUMMARY three genomic variants (relative to one another) and if there are difference the ST:STUDY_SUMMARY lipid profiles due to growth in medium having different supplements. Mycoplasmas ST:STUDY_SUMMARY are eubacteria, but have only a single plasma membrane and no cell wall. They ST:STUDY_SUMMARY acquire FAs and cholesterol and other (perhaps many unknown) lipids from the ST:STUDY_SUMMARY medium which is complex and contains mammalian serum. Various mycoplasma species ST:STUDY_SUMMARY have been shown to contain a wide spectrum of bacterial lipids, but the ST:STUDY_SUMMARY composition is unknown for this mycoplasma species. We are particularly ST:STUDY_SUMMARY interested in ratios of membrane lipids among our strains, in part to gain clues ST:STUDY_SUMMARY about differences in metabolic pathways pertinent to membrane biogenesisÍž and ST:STUDY_SUMMARY to predict any underlying features that could relate to the extremely different ST:STUDY_SUMMARY modes of cell propagation observed among these genomic constructs. 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 4 ST:TOTAL_SUBJECTS 24 #SUBJECT SU:SUBJECT_TYPE Bacteria SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS Resident macrophage 1 Quigley_Inj12_SA001 Treatment:Resident macrophage Organ=Cells; Species=Mouse SUBJECT_SAMPLE_FACTORS Resident macrophage 2 Quigley_Inj03_SA002 Treatment:Resident macrophage Organ=Cells; Species=Mouse SUBJECT_SAMPLE_FACTORS Resident macrophage 3 Quigley_Inj09_SA003 Treatment:Resident macrophage Organ=Cells; Species=Mouse SUBJECT_SAMPLE_FACTORS Resident macrophage 4 Quigley_Inj08_SA004 Treatment:Resident macrophage Organ=Cells; Species=Mouse SUBJECT_SAMPLE_FACTORS Resident macrophage 5 Quigley_Inj11_SA005 Treatment:Resident macrophage Organ=Cells; Species=Mouse SUBJECT_SAMPLE_FACTORS Resident macrophage 6 Quigley_Inj05_SA006 Treatment:Resident macrophage Organ=Cells; Species=Mouse SUBJECT_SAMPLE_FACTORS Bone marrow macrophage 1 Quigley_Inj06_SA007 Treatment:Bone marrow macrophage Organ=Cells; Species=Mouse SUBJECT_SAMPLE_FACTORS Bone marrow macrophage 2 Quigley_Inj07_SA008 Treatment:Bone marrow macrophage Organ=Cells; Species=Mouse SUBJECT_SAMPLE_FACTORS Bone marrow macrophage 3 Quigley_Inj10_SA009 Treatment:Bone marrow macrophage Organ=Cells; Species=Mouse SUBJECT_SAMPLE_FACTORS Bone marrow macrophage 4 Quigley_Inj13_SA010 Treatment:Bone marrow macrophage Organ=Cells; Species=Mouse SUBJECT_SAMPLE_FACTORS Bone marrow macrophage 5 Quigley_Inj14_SA011 Treatment:Bone marrow macrophage Organ=Cells; Species=Mouse SUBJECT_SAMPLE_FACTORS Bone marrow macrophage 6 Quigley_Inj04_SA012 Treatment:Bone marrow macrophage Organ=Cells; Species=Mouse #COLLECTION CO:COLLECTION_SUMMARY "Cells were centrifuged at 500g in PBS, the supernatant aspirated and the cell CO:COLLECTION_SUMMARY pellet snap frozen in liquid nitrogen" CO:COLLECTION_PROTOCOL_FILENAME StudyDesign-LauraQuigley-121214.pdf CO:SAMPLE_TYPE Cell #TREATMENT TR:TREATMENT_SUMMARY "Different cell types: 1. Peritoneal macrophages 2. Bone marrow derived TR:TREATMENT_SUMMARY macrophages" TR:TREATMENT_PROTOCOL_FILENAME StudyDesign-LauraQuigley-121214.pdf #SAMPLEPREP SP:SAMPLEPREP_SUMMARY "1. Add 0.5mL of extraction solvent to tube, gently pipet to remove all cells, SP:SAMPLEPREP_SUMMARY transfer cells to 2mL eppendorf tube. Repeat for a total of 1mL extraction SP:SAMPLEPREP_SUMMARY solvent + cells in 2mL eppendorf tube. 2. Add 2 small stainless steel grinding SP:SAMPLEPREP_SUMMARY beads to eppendorf tube 3. Use the GenoGrinder to grind for 3 minutes at 1,250 SP:SAMPLEPREP_SUMMARY rpm. 4. Centrifuge at 14,000xg for 5 minutes. 5. Transfer supernatant to a fresh SP:SAMPLEPREP_SUMMARY 2mL eppendorf tube. 6. Add 1mL of extraction solvent to tube containing cell SP:SAMPLEPREP_SUMMARY pellet + beads, and repeat steps 3 and 4. 7. Collect supernatant, and combine SP:SAMPLEPREP_SUMMARY with supernatant collected in step 5. Total volume of extracted sample will be SP:SAMPLEPREP_SUMMARY approximately 2mL. 8. Dry down 50uL of extracted sample in 1.5mL eppendorf tube SP:SAMPLEPREP_SUMMARY for GC-TOF analysis. 9. Store backups in -20 or -80C." SP:SAMPLEPREP_PROTOCOL_FILENAME SOP_Extraction_of_Yeast_Cells.pdf #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:INTERNAL_STANDARD See data dictionary CH:RETENTION_TIME See data dictionary 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 MS1 data; Identifications made from pooled MS/MS runs MS:MS_COMMENTS Lipidomics runs are performed in negative and positve mode (two filenames) 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 MS:DESOLVATION_GAS_FLOW 11 l/min MS:DESOLVATION_TEMPERATURE 350 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 Quigley_Inj12_SA001 Quigley_Inj03_SA002 Quigley_Inj09_SA003 Quigley_Inj08_SA004 Quigley_Inj11_SA005 Quigley_Inj05_SA006 Quigley_Inj06_SA007 Quigley_Inj07_SA008 Quigley_Inj10_SA009 Quigley_Inj13_SA010 Quigley_Inj14_SA011 Quigley_Inj04_SA012 Factors Treatment:Resident macrophage Treatment:Resident macrophage Treatment:Resident macrophage Treatment:Resident macrophage Treatment:Resident macrophage Treatment:Resident macrophage Treatment:Bone marrow macrophage Treatment:Bone marrow macrophage Treatment:Bone marrow macrophage Treatment:Bone marrow macrophage Treatment:Bone marrow macrophage Treatment:Bone marrow macrophage Ceramide (d33:1) 5457 4269 5018 5097 5040 4462 8328 8406 10431 10162 9229 8098 Ceramide (d34:0) 7923 9106 8229 7813 8882 8576 11675 13322 12527 11679 11154 11906 Ceramide (d34:1) 328097 338626 299216 300722 284694 274879 474187 503358 486398 484510 452873 470882 Ceramide (d36:1) 13745 11048 12795 13517 12116 10845 36823 42892 40735 40150 36662 36711 Ceramide (d38:1) 4509 4098 4326 4213 4433 3576 8187 9008 10424 9766 9229 8173 Ceramide (d40:1) 19110 16231 17751 17561 17476 15281 134013 145039 137727 147003 123353 126097 Ceramide (d41:1) 8791 7617 8249 8095 8596 6837 32943 38503 38899 38553 37067 29885 Ceramide (d42:1) 58485 49377 53695 49105 54466 47017 312192 334975 338317 336321 334799 291701 Ceramide (d42:2) 179779 152335 156371 151846 161440 145051 321383 343829 335613 328141 317340 300682 CSH_negESI #113 4484 3410 3845 3547 3889 2951 12046 12140 13699 13312 13794 11347 CSH_negESI #628 59193 63045 54429 56548 54284 48903 60705 61079 54224 54705 49417 64789 CSH_negESI #631 75116 71767 58515 59235 68112 68922 153859 154026 134776 145482 131350 142910 CSH_negESI #668 13723 13487 12876 12082 12408 13022 40718 40084 37189 39026 33874 36390 CSH_negESI #713 22860 24618 20267 21727 21755 21602 41259 41717 40034 41656 35361 40142 CSH_negESI #749 24958 17832 18455 20616 22058 19168 34456 36879 32428 39872 29110 33349 CSH_negESI #750 6754 6471 5633 5399 5194 5712 11606 12483 11327 11809 9521 10554 FA (20:1) (eicosenoic acid) 3162 6720 5006 3681 5507 8425 9700 8895 9042 8783 9227 8769 FA (20:4) (arachidonic acid) 13153 15152 15733 15007 16349 16686 214231 230891 188385 234260 190022 290097 FA (22:0) (behenic acid) 7158 9687 5563 5486 10398 14964 22820 21214 22302 18963 20415 18921 FA (22:6) (docosahexaenoic acid) 10691 10457 9240 8644 13018 10678 29272 32080 28744 27583 26042 32262 FA (24:0) (lignoceric acid) 4935 7691 5221 4202 9954 16238 27275 24297 26314 21723 22555 24081 FA (24:1) (nervonic acid) 2950 3606 3410 2789 3114 3388 28426 29752 33513 27113 27697 23647 GlcCer (d40:1) 13201 13226 11822 12017 12446 12733 101100 102459 95636 110348 92860 99070 GlcCer (d41:1) 5682 5060 5365 5283 5323 5026 11083 12257 11447 13127 10399 10724 GlcCer (d42:1) 23233 24077 21377 21735 23038 22308 84265 84608 79008 84873 72052 76757 GlcCer (d42:2) 56776 50210 47074 47057 52126 47515 59856 61487 57844 63591 55420 53669 GlcCer(d14:1(4E)/20:0(2OH)) 3067 3008 2508 2786 112153 2730 9769 10183 8490 9515 8224 9390 LPC (16:0) 14211 16793 11473 13158 13412 14596 4920 5166 4481 4579 4848 4862 LPC (18:0) 21135 23570 17702 19131 18913 19092 5802 5973 6090 5600 5772 5478 PC (32:1) 4524 4893 4219 4180 4414 4357 17826 19487 15983 16432 12959 16370 PC (34:0) 17815 18933 16883 17333 17324 16852 49472 49867 45015 48987 42840 47079 PC (34:1) 51059 53198 44649 46308 46760 47162 101851 105048 97034 103580 86525 98299 PC (34:2) 34780 39069 34212 33133 34346 35242 10259 9619 9046 9681 9137 10201 PC (36:1) 17910 19033 17573 17035 18319 17553 26127 26554 24439 26006 22951 24772 PC (36:2) 26296 27362 24383 24484 26439 26912 18155 18690 16253 17970 16350 18024 PC (36:3) 13046 12927 11490 11768 11549 12411 3446 3674 3401 3525 3020 3534 PC (36:4) 68374 72666 65440 62738 61520 62650 64598 68241 60256 66643 54734 62758 PC (38:3) 10522 10871 9555 9855 9400 9249 2577 2579 2300 2423 2447 2411 PC (38:4) 50063 54233 46846 44505 45035 43487 45568 46828 41714 44788 37303 43299 PC (38:5) 12075 14154 11344 12118 10848 11068 22186 23306 19369 21362 18873 21868 PC (38:6) 9461 10565 7841 9060 8735 8784 8050 10318 8281 8658 6631 7727 PC (40:4) 6972 7782 7340 7918 6803 7239 8662 8576 7802 8422 6829 8243 PC (p-34:0) or PC (o-34:1) 13836 14146 11971 13390 12388 12745 25329 24044 22909 24264 21928 23408 PC (p-36:3) or PC (o-36:4) 27501 28713 23188 25104 24747 25447 68013 71546 63836 68388 61043 66278 PC (p-36:4) or PC (o-36:5) 8151 8305 8152 7820 7102 7205 10611 11130 9907 10588 9382 10099 PC (p-38:3) or PC (o-38:4) 4634 4253 3862 4048 4035 4246 20753 22322 19819 21641 18475 20242 PC (p-38:4) or PC (o-38:5) 20442 20223 18100 18032 18088 19020 76887 81898 68364 76481 64590 70461 PE (34:1) 6889 6508 5604 5764 6431 6267 14297 14369 14071 14254 12061 13863 PE (36:2) 18280 18589 17581 16731 18628 17928 8002 7770 7232 7772 6467 7011 PE (36:4) 20657 18598 15861 15179 18490 15694 18763 19684 19503 21477 18763 16743 PE (38:4) 235563 223237 191574 187935 213816 207209 315186 325560 301620 320743 273528 311200 PE (p-34:1) or PE (o-34:2) 6147 6579 5469 5391 5986 5948 37679 37839 35926 36966 32221 34649 PE (p-34:2) or PE (o-34:3) 8972 7596 6294 6033 8013 7299 9533 9800 9081 8939 8942 8892 PE (p-36:1) or PE (o-36:2) 5774 6093 4849 5065 5418 5513 21466 22416 23249 21397 21114 19252 PE (p-36:2) or PE (o-36:3) 5457 5756 5198 5095 5676 5547 9481 10659 10448 10690 9069 8494 PE (p-36:4) or PE (o-36:5) 472890 493909 403890 409747 439276 428330 700562 721295 659050 700121 621607 683655 PE (p-36:5) or PE (o-36:6) 6316 6363 4904 4596 5507 5811 43599 46463 38293 41256 34492 38275 PE (p-38:4) or PE (o-38:5) 343997 342251 299142 290062 288820 288373 423638 452320 421352 432409 384864 408787 PE (p-38:5) or PE (o-38:6) 95827 94018 78015 75698 84913 82424 283213 308147 269129 277265 235412 274555 PE (p-40:4) or PE (o-40:5) 47350 46811 42815 43537 42762 41571 109897 118816 105615 116921 95627 106146 PE (p-40:5) or PE (o-40:6) 20003 19923 18584 17754 18482 17808 85580 88937 81191 88000 74366 80684 PE (p-40:6) or PE (o-40:7) 52804 47123 42013 40595 45301 41140 90370 96315 86553 94500 79345 88244 PE (p-40:7) or PE (o-40:8) 13287 13889 11759 11519 12867 13033 30953 30899 26878 30043 24681 29831 SM (d34:1) 180195 189005 166340 176384 164324 166235 200795 197032 191374 197466 180833 198392 SM (d34:2) 15499 16469 13388 14115 13093 14073 5847 5982 5570 5766 5723 5862 SM (d40:1) 9746 14575 14598 9491 16672 9449 74006 76709 69894 74752 68094 70855 SM (d41:2) 20531 22905 19553 18564 17836 19420 26893 26290 24468 25789 23601 26258 SM (d42:1) 21403 22282 20608 19876 19957 20460 101225 101384 97300 103001 93634 97408 SM (d42:2) 93686 96869 86984 87267 80753 83937 121950 121995 118577 126066 109974 119024 SM (d42:3) 15020 16038 14173 14065 14468 13535 20933 20204 18593 19861 17777 18852 0.49_209.95 12606 5738 8434 54680 33679 35869 22203 4668 2905 9331 36028 9094 0.52_124.01 6648 12627 6993 8546 9589 5883 0.57_305.02 3260 2442 3621 6250 12483 5081 10669 13493 20459 11047 10243 8113 0.57_223.02 7922 6885 8495 11972 19171 10749 17418 19747 28025 17972 16541 15180 0.60_354.95 20555 24574 29461 36010 126455 44586 86331 147641 228955 119039 74741 65105 0.60_356.94 4408 4764 5829 7441 21739 7985 15713 25527 40431 20681 13700 12019 0.61_555.87 76694 72112 80833 82930 84204 76316 62490 62450 81399 47751 52623 56804 0.61_559.86 14936 14648 16001 17035 15351 16046 13068 12851 16342 9282 10237 11872 0.61_557.87 50685 49690 53019 56235 55730 51421 42483 43784 53459 33434 34214 39176 0.62_247.98 4166 4172 5482 5392 8248 5420 5369 6760 8489 5872 4399 4986 0.62_134.01 10775 10886 12010 10323 11472 10237 8111 9913 10359 8765 6718 8637 0.62_394.89 7947 15243 9193 10108 8842 11120 11534 9959 8801 9296 7777 14131 0.62_165.98 634023 674670 711341 608524 719947 608884 508454 552720 540570 505716 424401 525474 0.63_167.98 53641 58183 60538 49015 59203 50708 42131 46175 45856 43862 35586 41191 0.64_150.00 9445 12295 10796 6888 8161 10405 7325 9727 6338 6630 7313 8347 1.14_299.26 95795 105115 83639 53138 85603 77458 73525 86408 57392 50447 69645 65097 1.53_330.26 5958 9732 8613 6527 19123 6564 6750 6293 15113 9564 6592 5669 2.05_279.23 38375 32217 37898 35532 50714 51243 14381 7567 6985 6402 7583 7376 2.11_329.25 5146 6343 5537 5509 6780 6899 47004 48317 42659 48326 43285 57307 2.12_437.29 3547 2617 2636 3230 16927 18187 13298 18115 14379 26071 2.26_336.25 46879 61108 53327 55654 66117 44693 43228 43088 57275 45466 51568 41544 2.27_298.28 10486 18741 16447 15409 21648 11190 12298 12719 18497 13330 14716 10500 2.27_334.25 150995 194518 175959 180758 212685 139032 138263 137215 180025 150822 162731 132689 2.27_344.28 191726 412742 329955 328686 439215 226731 245102 259483 371889 282674 298377 201643 2.27_358.30 576273 1110774 924965 891281 1370274 595651 669470 697504 1153514 790071 834183 555095 2.36_480.31 3534 4501 3497 3343 3547 4061 8328 8842 8551 8549 7437 8174 2.42_557.53 25668 38155 42175 39969 63333 28063 29799 33162 57706 37110 41812 22573 2.42_558.54 8957 13489 14876 14812 23126 10602 10940 12160 19608 13049 15251 8584 2.44_554.51 4472 7581 6901 4862 7622 5021 4917 4799 7872 5274 9456 3537 2.46_255.38 49857 76911 53034 59245 50313 40932 43739 41824 76038 51318 2.64_331.26 7225 9462 9291 7828 9901 9718 98640 102284 87941 104684 91690 115036 2.66_504.20 4810 18235 4666 48185 7489 3019 11557 2.66_339.23 13414 25179 70438 4504 20711 296915 34240 11239 12445 9001 5029 92790 2.68_464.31 4015 4978 3519 3256 3708 4382 12940 14100 13398 11960 10517 12789 2.80_415.31 3982 2809 2426 3613 10508 10406 13414 8838 12383 8237 2.86_465.31 6053 6205 5756 5898 6085 6554 12581 13343 11599 12008 11872 11775 3.06_585.56 11242 10798 14000 12927 13034 10302 11046 11666 13473 11333 12297 10002 3.06_326.31 16676 25694 22274 21161 24811 15765 17231 16193 21410 18898 19507 14840 3.06_386.33 1521668 2583448 2245744 2050399 2613370 1548113 1707988 1680489 2244875 1839359 2000216 1489703 3.06_364.28 87395 122770 117120 107800 135123 80494 89044 87611 116869 97299 107112 76254 3.07_372.31 531094 738052 621997 615868 642991 523298 508382 494640 548858 514054 524776 506912 3.07_362.28 282887 389643 377981 345806 439573 264819 283977 282627 375477 316061 348364 251563 3.20_711.29 10925 18749 11523 12165 13956 11892 8777 8750 9994 8391 10635 9768 3.23_610.58 10165 18306 14954 13112 18292 9426 11398 11458 16706 12896 17216 10263 3.45_865.50 51003 35464 32858 37252 48205 39004 263541 292822 282661 262461 225051 209559 3.50_297.28 4162 4231 3999 4633 4678 10711 6976 5609 6417 5067 7550 5281 3.52_841.50 8470 6889 6689 8331 7130 4493 466341 476525 457865 497025 418856 382984 3.57_485.23 12495 12990 11312 5671 7417 9406 6739 5682 5389 5957 5459 7620 3.57_400.34 4704 9522 11094 8346 10413 8190 13836 14515 18957 13967 16602 11244 3.57_414.36 12449 22321 23153 20652 26723 15918 21798 21239 30924 21429 26446 16670 3.58_390.31 11396 16044 16248 16489 22088 8245 8176 7204 11073 9486 11940 6095 3.58_817.50 11288 28293 9610 11118 9275 8562 166462 212133 214179 224838 195086 138191 3.59_493.26 15481 46773 15026 7894 10622 14931 14884 22226 11164 14612 10656 15144 3.60_844.51 5887 8516 4771 2950 2771 2986 13526 15238 12034 14906 74816 11174 3.60_867.52 19608 27231 12189 12920 12933 10993 247957 272618 246771 260139 217632 201970 3.62_387.25 4510 12024 4095 2306 2782 4144 3552 2744 2842 2251 2964 3235 3.62_483.23 27650 47937 23785 13272 17499 22209 16073 11496 12888 9317 12280 15429 3.62_507.27 114033 366329 106595 55354 72386 111322 79725 65382 64862 45377 60215 79384 3.64_793.50 4086 6461 4294 2648 11421 12303 11276 11018 11184 9123 3.68_843.52 10578 16055 8237 5223 5511 5574 133027 164164 138243 166365 141691 122859 3.69_845.52 2838 2601 19952 19525 19247 18290 17593 16375 3.73_870.53 11085 8058 9677 11470 8858 7549 21634 21564 20340 19733 18175 19351 3.79_869.53 19441 14979 18155 20257 16073 14779 186404 212677 183865 193449 171837 159297 3.79_311.30 99481 138607 73284 69888 91348 155262 68902 52912 59818 44686 74656 68000 3.83_691.53 2505 3303 2650 3972 2768 5626 9375 7813 7288 10885 5814 3.84_819.52 15916 13728 13965 15515 14668 12016 88740 102364 85380 86393 77264 75187 3.89_845.53 3287 2509 2931 3415 2601 2170 139640 166431 134922 158167 123188 127330 3.91_871.55 3254 2564 3481 3885 2807 2502 71258 80122 62276 77190 60187 61401 3.92_795.52 69398 80377 74944 77187 69150 60774 4.03_872.55 35449 40491 30941 39059 31554 30011 4.05_857.53 39904 44071 37269 37672 37412 39093 44758 47376 41428 7949 41511 46044 4.06_833.52 5058 24695 4712 4700 4703 4364 3986 4322 3693 4370 3266 3663 4.07_857.52 39904 44071 37269 37672 37412 39093 44758 47376 41428 45769 41511 46044 4.10_821.53 4163 5557 2307 2477 42625 45770 44358 45243 41010 35155 4.12_883.53 25866 111909 23287 23258 24048 23277 68704 70300 66844 70640 63258 64232 4.16_521.29 22967 77978 21834 12917 17138 22621 35593 31901 27296 19920 25063 34710 4.17_415.28 5162 14914 4360 3298 4464 4288 5880 4809 4852 4049 4663 5984 4.17_513.26 16714 27259 14297 11137 13552 13933 13456 10969 12790 10894 13849 12961 4.17_535.30 89182 614989 80243 48496 63020 91296 91128 72209 72138 52696 69733 81419 4.17_511.26 38048 63206 34155 25108 30635 31998 30777 26921 29508 24508 31980 28701 4.19_873.56 6470 12156 13293 11316 12891 10218 11700 4.25_823.55 20621 22480 21768 22790 19682 16893 4.31_871.54 3083 3418 2774 2857 2912 2927 8920 8976 8480 9232 7995 8126 4.36_869.55 9782 10591 8836 8857 8291 8601 16730 18924 17285 17766 16514 16624 4.49_655.42 5121 3542 4327 3751 4954 4420 9206 8825 10003 9140 8599 8331 4.49_834.53 14658 15156 15350 12856 15179 11590 31607 35245 32932 35027 26521 31080 4.56_885.55 218045 211506 190008 171051 205531 199474 725086 739140 702488 732212 642059 711351 4.58_911.56 6319 6803 5736 5072 6077 6514 18080 20476 18023 19123 15343 17209 4.65_239.06 3369 4247 4346 18241 3363 1976 2268 5055 4365 4.65_810.53 25784 29316 28657 24231 27212 21448 39666 45146 41550 42583 29930 39843 4.66_747.52 18894 17882 15183 14034 15689 14676 65713 83138 66977 72492 50426 60967 4.70_837.55 3954 3923 3864 3338 3639 3060 12510 14285 11637 12651 9930 11969 4.71_626.54 73289 104631 81217 52478 70504 48110 94703 140983 99987 83880 99334 100840 4.71_640.55 79892 106593 84179 54656 72339 46264 87114 144625 94890 76988 96659 89401 4.71_740.51 12084 17405 12897 12944 11074 11570 8906 9946 8092 8025 8361 10452 4.71_616.51 77572 72773 73299 57531 66264 42367 51746 76334 61726 53825 72145 51330 4.71_643.53 11264 10416 10496 8695 10287 6269 7392 10874 9101 8394 10529 7435 4.74_626.52 73289 104631 9474 52478 70504 30591 94703 140983 99987 83880 99334 100840 4.76_749.53 2803 3662 2762 3145 2858 2963 7046 8250 3137 7980 3275 6944 4.81_786.53 14260 16312 15520 14082 16060 12728 8219 9809 8124 7173 5655 8101 4.83_747.56 24309 28896 22533 24124 22452 24067 27732 27171 26272 25847 24416 28659 4.85_871.57 4176 4196 3847 3500 3977 3600 23442 25812 24333 24240 22953 23234 4.89_763.54 19378 21211 18113 19655 11331 18126 62839 69558 59470 68346 56170 55107 4.91_887.57 15947 14535 21934 23122 14413 13983 145440 169102 151072 149557 121261 120952 4.91_659.51 12600 12560 8752 8049 10782 11524 75687 82812 68151 73456 62474 64910 4.93_812.54_4.91_836.54 18417 26064 18300 14667 18506 18055 99259 131252 92859 93332 55573 97996 4.92_762.52 32961 29932 19829 75892 72257 25345 134122 148634 128487 148540 115568 120134 4.94_369.24 21968 20418 20158 20226 22234 19597 21509 20583 22060 22758 23061 23563 4.94_549.37 12462 10560 8171 2617 3472 5543 8738 10749 3714 6539 7733 11100 4.94_913.58 66966 62445 45722 38775 57489 56196 207720 252807 207668 218371 164822 187688 4.94_732.50 26671 28463 22995 26708 21836 24624 4.95_915.60 109529 110470 109110 106126 105151 116542 124011 122870 121959 120661 128920 125331 4.95_1227.75 195786 188199 199009 186531 191993 196112 187312 173379 185377 183558 206856 194424 4.95_1254.77 11260 10741 11294 11367 10740 10874 8149 6732 7468 7416 8287 7278 5.04_826.56 12095 13615 10918 11416 11057 11362 12008 12071 11104 11461 9821 11818 5.04_863.57 3313 3565 2882 2819 3003 3025 8368 8402 7841 7478 6712 7353 5.06_789.53 4995 5160 4266 3889 4636 4402 14052 13797 12314 18040 11336 12754 5.08_758.58 16789 16811 14140 14256 13666 14455 15014 14586 13673 13979 12633 15352 5.10_802.56 6604 7293 5656 6840 6231 6557 2293 2122 2009 2738 2000 2751 5.11_1449.10 6604 4322 5839 5528 6317 4576 8207 10158 9774 10326 9614 6515 5.17_788.54 10620 9244 7918 7694 8060 8618 36999 44638 36908 38811 24687 37145 5.18_313.08 3437 3979 3703 19082 2907 1909 2193 4694 3696 5.21_764.53 9758 8387 7397 7226 7991 7467 28918 27488 27184 28642 26038 25591 5.29_654.57 81227 103447 70740 42532 53533 45711 55787 85961 51474 45256 68893 57634 5.29_668.58 93087 114945 82858 48046 62073 50320 79838 129466 80132 67885 95337 80731 5.30_789.57 3614 4243 3998 3379 4027 3554 17294 20001 17487 18040 12743 17169 5.30_644.54 69833 62516 64396 40875 54900 34757 48765 73148 44143 40255 54821 48419 5.31_671.56 8548 7912 8290 5937 7350 4721 6454 8433 6617 5708 7877 5775 5.32_768.54 10949 16013 12394 9461 10733 9086 7674 9303 8165 6711 7628 8779 5.40_812.58 5588 6588 5089 4933 5335 5564 13901 14248 12526 12969 12691 14126 5.45_1446.03 10015 10435 7960 7378 8834 8068 14410 16662 14449 14548 12173 13413 5.46_838.59 5271 5716 4868 4966 5437 4919 13754 15242 13033 13892 11751 14826 5.47_1472.05 3992 3801 3144 2973 3189 3803 9759 9928 8550 9872 7366 9003 5.55_778.56 13176 15099 13046 13597 12266 13222 21184 21373 18478 20576 17443 21220 5.56_792.57 76175 82910 70838 71064 70481 69172 119007 126460 111223 119161 104497 113384 5.59_760.53 4048 4008 3656 3452 3787 3731 20194 21665 18278 20428 16589 19697 5.61_790.54 91810 88599 69321 66030 75137 75925 187435 190570 177169 192068 167092 177529 5.61_724.53 10988 10501 8454 7747 9732 9419 21464 34432 20542 37765 18508 18767 5.61_804.57 9244 11656 8170 8766 8485 9178 18125 17880 15660 17150 15169 17730 5.71_854.60 9825 11830 8610 9574 9056 9220 9368 9529 8213 9484 8095 8683 5.71_536.50 17901 18470 15630 15182 14705 14343 26951 29104 28656 27266 25893 26709 5.72_582.51 110043 123601 100415 100213 97445 92438 155116 157250 150233 146363 140809 153060 5.73_599.51 7082 7183 6634 7594 6693 5666 7855 7959 8677 8179 7795 7819 5.75_696.49 10656 17767 12387 13270 10259 11240 13679 11849 10745 10115 9233 16049 5.78_554.48 14222 20236 15494 9312 14605 10378 8994 8437 9516 7414 10736 9790 5.79_568.49 21933 29201 23490 12655 22423 16082 16980 17515 17886 14843 20051 16425 5.79_762.55 2388 2545 2389 2316 13232 13832 12005 13106 11132 11895 5.83_793.56 6780 7359 6484 5978 6998 6957 22361 23345 21872 22828 19933 21625 5.97_778.58 8914 9148 8485 9160 8862 8216 29583 31670 29350 30372 29275 28667 6.01_751.55 29766 28350 26222 24795 25904 25950 199669 99224 199462 97621 181416 193377 6.07_792.56 7348 7898 6209 6562 6462 7038 18044 19630 16358 18355 15240 16464 6.08_1302.07 9615 7981 7727 7426 8539 7332 14209 15508 14146 14262 13159 11377 6.12_1502.09 7015 7309 6098 5754 5780 5801 8512 8966 8449 8192 7019 7780 6.14_753.56 8111 7734 6769 6774 6960 6756 10062 10127 10074 10636 8945 9320 6.15_832.55 9536 9222 9089 9103 8347 8268 8037 7779 8444 7782 8142 8251 6.19_768.55 13733 13807 11629 11149 12502 12196 12580 13683 13779 13105 11942 11693 6.22_806.59 4355 5329 3710 3682 3769 3725 10153 10550 9378 10179 9297 10072 6.24_239.06 2868 2275 4267 3248 17569 3974 2112 2528 3958 3360 6.27_764.56 2389 2405 2579 2523 2337 2202 16996 17416 15462 17946 13570 15260 6.27_794.57 52050 51128 46052 44618 47563 47199 143834 152839 129404 148356 113544 123033 6.31_491.36 9023 10146 8801 9373 8448 8446 7942 7415 7601 7501 7286 8176 6.39_724.52 3966 4817 4423 4664 3922 4094 8133 8630 7652 7231 5875 9379 6.44_596.53 106935 137450 119303 93498 86582 71238 122887 127887 118304 102963 169266 106588 6.46_582.51 61532 79846 65432 50913 50336 43460 99237 105436 96136 86602 119489 94634 6.48_572.48 77945 75529 80864 71705 70037 50496 44744 41879 48080 43754 68058 44455 6.54_842.63 5517 4128 4325 4226 5313 4612 8471 9167 7512 9591 7311 7686 6.65_806.63 4382 4822 4097 4203 4532 4657 11046 11598 10837 11313 11055 10766 6.66_811.55 5484 12138 8962 7678 8831 6628 4801 6406 5408 6118 7484 7547 6.70_702.55 2950 3097 2643 2468 2499 2608 9734 9718 9185 9970 8601 10842 6.78_804.59 3061 2743 2893 3064 3123 3001 14082 15101 13725 14386 11765 12970 6.78_574.61 22862 24533 23638 23233 23415 23820 24125 23440 25104 24329 24937 24923 6.81_822.60 3899 4115 3424 3458 3697 3595 13022 14697 12112 12800 10911 11688 6.86_847.65 9599 10312 8841 9219 9095 9723 16300 15659 15437 15486 14666 15291 6.88_529.46 28186 26761 27938 27856 26274 25383 22769 26404 40533 22580 37632 26113 6.88_769.62 3749 2975 3435 3146 3077 2869 10947 13522 11411 13004 9765 10241 6.89_831.66 3216 3039 2738 2505 2601 2673 16773 17288 16377 16340 15458 16171 7.03_846.65 14922 13035 12434 12179 13765 12847 16590 16595 15982 18077 15967 37589 7.07_968.65 8035 10702 6678 8511 7854 9825 12115 11338 9221 10174 6993 12115 7.08_942.63 18311 17457 13127 15645 11094 20375 7.08_854.67 6060 7024 6149 6210 5712 5958 7919 8481 7692 7997 7196 7739 7.09_828.66 14485 14615 12268 14954 11407 13673 7.12_806.61 3948 4119 3657 3709 3710 3712 10534 10963 9395 10434 8552 10905 7.16_610.54 107546 140768 119001 83474 81697 66807 110347 113988 99815 89572 145178 103584 7.17_624.56 237684 293703 262160 185825 183739 145854 185143 191809 174266 141943 284597 173729 7.17_600.51 108431 101404 106607 96858 92252 68552 65510 63930 61639 63456 88651 63029 7.19_527.45 33890 42785 36064 32868 34430 32714 24036 27303 42450 35604 49013 33729 7.20_704.62 14909 15169 13031 12641 13684 13255 23679 25953 23636 24699 21304 22021 7.22_692.42 42875 86175 139680 78109 121948 54541 66838 34120 150561 56155 75477 33904 7.23_804.58 5553 7482 5150 6756 5143 6685 11562 11493 7916 9814 5704 13218 7.43_792.58 15917 16080 13747 12961 10511 16552 7.45_668.58 3070 2672 2949 2847 3003 2388 23404 26256 27552 27083 24410 20415 7.55_849.66 3456 3798 3920 3454 3317 3470 12376 12195 12315 12027 11657 11977 7.55_955.71 3195 3012 2832 3180 2788 2989 10487 11435 10056 11449 10157 10965 7.55_859.69 6444 6786 5960 5808 5625 5955 25385 24803 24146 25109 22080 24258 7.68_730.53 21477 19450 20143 20856 16542 12095 10994 11231 15220 10262 21204 8101 7.73_709.62 10114 7912 8762 9113 9458 7603 10781 10478 11300 11545 11639 9868 7.73_806.60 38144 56304 37436 42989 38060 42475 63331 57489 54168 48983 42962 69033 7.73_692.62 33667 35644 32124 31709 29542 30506 100583 109534 104001 96538 92300 95430 7.74_646.61 4716 4821 4508 4222 4457 3937 11721 12156 12646 11696 11438 10523 7.76_810.68 2420 2648 2362 2589 2155 9041 9151 8487 8883 7855 9164 7.77_666.60 3104 3155 3040 3342 3247 2922 36350 40507 37053 39075 31438 35138 7.77_780.58 3275 4708 3426 3948 3156 3554 18456 18825 15695 16615 12413 22202 7.77_856.69 3205 3539 3326 3244 3208 3623 13838 13754 13295 13640 11718 12770 7.83_638.57 60960 77378 65560 42748 42582 38750 51943 54184 47348 36436 75439 49644 7.83_652.59 130171 157742 139603 92287 92670 78569 93157 98389 87133 69720 150900 87813 7.84_628.54 95239 88292 90725 72224 72921 53623 50535 51649 50780 45794 81485 47815 8.11_794.60 4112 5778 4725 4974 4501 4205 20339 19707 18534 16672 13685 21245 8.42_808.61 17314 25269 18125 18384 18568 16990 82469 72462 65387 66687 55792 87408 8.42_694.64 8991 10277 9139 7959 8967 8490 64827 73010 73057 63970 65205 60767 8.42_686.61 16153 12544 14264 12556 14275 12016 68925 67919 72204 75296 75456 64067 9.00_1451.99 2226 2697 2555 2389 7941 9872 7815 9199 6154 8828 10.87_1053.89 2925 2570 4100 6091 1880 7772 11.16_941.79 2950 2893 3248 3794 2924 3251 3217 2305 13146 3773 17653 2859 12.16_1280.12 8264 7343 8745 7411 6890 6623 6384 7443 8574 8332 6445 7079 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name retention index quantified m/z PubChem ID KEGG ID Ceramide (d33:1) 5.368 558.4651 Ceramide (d34:0) 6.01 598.5379 Ceramide (d34:1) 5.7195 596.5258_572.4813 Ceramide (d36:1) 6.4005 624.5566_600.5120 Ceramide (d38:1) 7.107 628.5425 Ceramide (d40:1) 7.7885 680.6193_656.5742 Ceramide (d41:1) 8.114 670.5906 Ceramide (d42:1) 8.425 708.6505_684.6062 Ceramide (d42:2) 7.736 682.5915_706.6348 CSH_negESI #113 8.41 711.6304 CSH_negESI #628 5.084 734.5334 CSH_negESI #631 5.258 746.5127 CSH_negESI #668 5.713 736.5282 CSH_negESI #713 6.428 744.5543 CSH_negESI #749 7.208 680.575 CSH_negESI #750 7.19 690.6033 FA (20:1) (eicosenoic acid) 3.297 309.28 FA (20:4) (arachidonic acid) 1.919 303.233 FA (22:0) (behenic acid) 4.452 339.3267 FA (22:6) (docosahexaenoic acid) 1.719 327.233 FA (24:0) (lignoceric acid) 5.184 367.3578 FA (24:1) (nervonic acid) 4.469 365.3423 GlcCer (d40:1) 7.0955 818.6274_842.6720 GlcCer (d41:1) 7.455 832.6429 GlcCer (d42:1) 7.7605 846.6590_870.7033 GlcCer (d42:2) 7.077 844.6475_868.6876 GlcCer(d14:1(4E)/20:0(2OH)) 4.941 750.5237 LPC (16:0) 1.568 554.3459 LPC (18:0) 2.322 582.3771 PC (32:1) 4.988 790.556 PC (34:0) 6.219 820.6071 PC (34:1) 5.614 818.591 PC (34:2) 5.132 816.5742 PC (36:1) 6.284 846.6227 PC (36:2) 5.735 844.6057 PC (36:3) 5.297 842.5903 PC (36:4) 5.038 840.575 PC (38:3) 5.961 870.6221 PC (38:4) 5.685 868.607 PC (38:5) 5.081 866.5909 PC (38:6) 4.888 864.575 PC (40:4) 6.153 896.6381 PC (p-34:0) or PC (o-34:1) 6.009 804.6114 PC (p-36:3) or PC (o-36:4) 5.395 826.596 PC (p-36:4) or PC (o-36:5) 5.301 824.5804 PC (p-38:3) or PC (o-38:4) 6.07 854.6273 PC (p-38:4) or PC (o-38:5) 5.461 852.6116 PE (34:1) 5.746 716.523 PE (36:2) 5.885 742.5385 PE (36:4) 5.16 738.5085 PE (38:4) 5.81 766.5393 PE (p-34:1) or PE (o-34:2) 6.087 700.5282 PE (p-34:2) or PE (o-34:3) 5.582 698.5125 PE (p-36:1) or PE (o-36:2) 6.758 728.5594 PE (p-36:2) or PE (o-36:3) 6.21 726.5431 PE (p-36:4) or PE (o-36:5) 5.441 722.5128 PE (p-36:5) or PE (o-36:6) 4.976 720.4971 PE (p-38:4) or PE (o-38:5) 6.118 750.5441 PE (p-38:5) or PE (o-38:6) 5.489 748.5284 PE (p-40:4) or PE (o-40:5) 6.593 778.5755 PE (p-40:5) or PE (o-40:6) 6.143 776.5594 PE (p-40:6) or PE (o-40:7) 5.918 774.5439 PE (p-40:7) or PE (o-40:8) 5.31 772.5281 SM (d34:1) 4.83 761.5808 SM (d34:2) 4.31 759.5649 SM (d40:1) 6.929 845.6699 SM (d41:2) 6.848 857.6746 SM (d42:1) 7.551 873.7059 SM (d42:2) 6.851 871.6905 SM (d42:3) 6.278 869.6744 0.49_209.95 0.487 209.9493 0.52_124.01 0.522 124.0075 0.57_305.02 0.568 305.0234 0.57_223.02 0.571 223.0203 0.60_354.95 0.6 354.9473 0.60_356.94 0.6 356.9439 0.61_555.87 0.61 555.8712 0.61_559.86 0.613 559.8641 0.61_557.87 0.614 557.8674 0.62_247.98 0.618 247.9822 0.62_134.01 0.621 134.0072 0.62_394.89 0.622 394.8869 0.62_165.98 0.623 165.9793 0.63_167.98 0.627 167.9753 0.64_150.00 0.637 150.0019 1.14_299.26 1.144 299.2593 1.53_330.26 1.526 330.2648 2.05_279.23 2.047 279.2331 2.11_329.25 2.108 329.2486 2.12_437.29 2.115 437.2904 2.26_336.25 2.264 336.2495 2.27_298.28 2.266 298.2752 2.27_334.25 2.266 334.2519 2.27_344.28 2.267 344.2806 2.27_358.30 2.269 358.2961 2.36_480.31 2.362 480.3091 2.42_557.53 2.417 557.5336 2.42_558.54 2.419 558.5371 2.44_554.51 2.442 554.5148 2.46_255.38 2.456 255.3796 2.64_331.26 2.636 331.2645 2.66_504.20 2.66 504.2035 2.66_339.23 2.664 339.2329 2.68_464.31 2.678 464.3147 2.80_415.31 2.797 415.3063 2.86_465.31 2.857 465.3054 3.06_585.56 3.059 585.5647 3.06_326.31 3.064 326.3063 3.06_386.33 3.065 386.3273 3.06_364.28 3.065 364.2808 3.07_372.31 3.066 372.3119 3.07_362.28 3.066 362.2831 3.20_711.29 3.204 711.2885 3.23_610.58 3.23 610.5775 3.45_865.50 3.452 865.502 3.50_297.28 3.502 297.2797 3.52_841.50 3.521 841.5023 3.57_485.23 3.569 485.2251 3.57_400.34 3.573 400.3429 3.57_414.36 3.575 414.3585 3.58_390.31 3.577 390.3143 3.58_817.50 3.578 817.5021 3.59_493.26 3.591 493.2563 3.60_844.51 3.596 844.513 3.60_867.52 3.604 867.5171 3.62_387.25 3.623 387.2476 3.62_483.23 3.624 483.2273 3.62_507.27 3.624 507.2718 3.64_793.50 3.636 793.5019 3.68_843.52 3.682 843.5174 3.69_845.52 3.695 845.5247 3.73_870.53 3.728 870.5346 3.79_869.53 3.787 869.5328 3.79_311.30 3.794 311.2956 3.83_691.53 3.831 691.5279 3.84_819.52 3.843 819.5175 3.89_845.53 3.89 845.5329 3.91_871.55 3.909 871.5477 3.92_795.52 3.924 795.5178 4.03_872.55 4.028 872.5522 4.05_857.53 4.054 857.5301 4.06_833.52 4.063 833.5215 4.07_857.52 4.067 857.5182 4.10_821.53 4.098 821.5328 4.12_883.53 4.116 883.5338 4.16_521.29 4.164 521.2874 4.17_415.28 4.167 415.2782 4.17_513.26 4.17 513.2563 4.17_535.30 4.17 535.3031 4.17_511.26 4.171 511.2585 4.19_873.56 4.191 873.5643 4.25_823.55 4.247 823.5485 4.31_871.54 4.31 871.5379 4.36_869.55 4.356 869.5542 4.49_655.42 4.486 655.4206 4.49_834.53 4.493 834.5284 4.56_885.55 4.564 885.5499 4.58_911.56 4.584 911.5648 4.65_239.06 4.65 239.0607 4.65_810.53 4.65 810.529 4.66_747.52 4.659 747.5202 4.70_837.55 4.695 837.5474 4.71_626.54 4.713 626.5362 4.71_640.55 4.713 640.5518 4.71_740.51 4.714 740.5135 4.71_616.51 4.715 616.5073 4.71_643.53 4.715 643.5297 4.74_626.52 4.741 626.5159 4.76_749.53 4.762 749.5293 4.81_786.53 4.812 786.5288 4.83_747.56 4.829 747.5649 4.85_871.57 4.85 871.5693 4.89_763.54 4.894 763.5404 4.91_887.57 4.908 887.5651 4.91_659.51 4.911 659.5128 4.93_812.54_4.91_836.54 4.917 812.5438_836.5445 4.92_762.52 4.921 762.5224 4.94_369.24 4.936 369.2417 4.94_549.37 4.937 549.368 4.94_913.58 4.942 913.5809 4.94_732.50 4.944 732.497 4.95_915.60 4.948 915.5979 4.95_1227.75 4.949 1227.7477 4.95_1254.77 4.95 1254.7663 5.04_826.56 5.036 826.5602 5.04_863.57 5.044 863.5654 5.06_789.53 5.056 789.5296 5.08_758.58 5.077 758.5779 5.10_802.56 5.103 802.5596 5.11_1449.10 5.109 1449.097 5.17_788.54 5.173 788.541 5.18_313.08 5.177 313.0786 5.21_764.53 5.212 764.5253 5.29_654.57 5.289 654.5673 5.29_668.58 5.293 668.5829 5.30_789.57 5.301 789.5694 5.30_644.54 5.304 644.5384 5.31_671.56 5.305 671.5632 5.32_768.54 5.316 768.545 5.40_812.58 5.396 812.5792 5.45_1446.03 5.448 1446.0317 5.46_838.59 5.461 838.5882 5.47_1472.05 5.468 1472.0472 5.55_778.56 5.551 778.5599 5.56_792.57 5.558 792.5712 5.59_760.53 5.589 760.5279 5.61_790.54 5.609 790.5419 5.61_724.53 5.612 724.5263 5.61_804.57 5.615 804.575 5.71_854.60 5.71 854.5986 5.71_536.50 5.713 536.5044 5.72_582.51 5.72 582.51 5.73_599.51 5.727 599.5134 5.75_696.49 5.752 696.4872 5.78_554.48 5.778 554.4783 5.79_568.49 5.786 568.4942 5.79_762.55 5.789 762.5513 5.83_793.56 5.828 793.5592 5.97_778.58 5.969 778.582 6.01_751.55 6.009 751.5472 6.07_792.56 6.067 792.5561 6.08_1302.07 6.084 1302.0706 6.12_1502.09 6.119 1502.094 6.14_753.56 6.144 753.5567 6.15_832.55 6.15 832.5495 6.19_768.55 6.187 768.555 6.22_806.59 6.223 806.592 6.24_239.06 6.243 239.061 6.27_764.56 6.266 764.5598 6.27_794.57 6.274 794.5701 6.31_491.36 6.307 491.3589 6.39_724.52 6.389 724.5184 6.44_596.53 6.439 596.5257 6.46_582.51 6.465 582.51 6.48_572.48 6.477 572.4811 6.54_842.63 6.543 842.6274 6.65_806.63 6.651 806.6258 6.66_811.55 6.66 811.5505 6.70_702.55 6.704 702.5467 6.78_804.59 6.783 804.5942 6.78_574.61 6.783 574.6123 6.81_822.60 6.811 822.6048 6.86_847.65 6.863 847.6544 6.88_529.46 6.881 529.4621 6.88_769.62 6.882 769.622 6.89_831.66 6.885 831.6584 7.03_846.65 7.034 846.6498 7.07_968.65 7.071 968.6492 7.08_942.63 7.079 942.6344 7.08_854.67 7.081 854.6714 7.09_828.66 7.088 828.6565 7.12_806.61 7.12 806.6057 7.16_610.54 7.157 610.5414 7.17_624.56 7.165 624.5571 7.17_600.51 7.17 600.5125 7.19_527.45 7.19 527.4466 7.20_704.62 7.195 704.6191 7.22_692.42 7.225 692.4173 7.23_804.58 7.227 804.581 7.43_792.58 7.426 792.5811 7.45_668.58 7.446 668.5755 7.55_849.66 7.548 849.6612 7.55_955.71 7.551 955.7089 7.55_859.69 7.552 859.6902 7.68_730.53 7.681 730.5268 7.73_709.62 7.728 709.6178 7.73_806.60 7.731 806.5972 7.73_692.62 7.733 692.6194 7.74_646.61 7.743 646.6137 7.76_810.68 7.765 810.6813 7.77_666.60 7.765 666.6035 7.77_780.58 7.77 780.581 7.77_856.69 7.77 856.6876 7.83_638.57 7.827 638.5726 7.83_652.59 7.83 652.5882 7.84_628.54 7.84 628.5438 8.11_794.60 8.114 794.5965 8.42_808.61 8.417 808.6125 8.42_694.64 8.42 694.6351 8.42_686.61 8.425 686.6067 9.00_1451.99 9.002 1451.9937 10.87_1053.89 10.867 1053.8851 11.16_941.79 11.161 941.7874 12.16_1280.12 12.156 1280.1236 METABOLITES_END #END