#METABOLOMICS WORKBENCH michaelsa93_20151119_9490401_mwtab.txt DATATRACK_ID:434 efahy_20160119_070914 STUDY_ID:ST000320 ANALYSIS_ID:AN000508 PROJECT_ID:PR000259 VERSION 1 CREATED_ON January 15, 2016, 12:53 pm #PROJECT PR:PROJECT_TITLE Single treatment gene impact on Arabidopsis metabolites PR:PROJECT_SUMMARY This experiment aims to measure the impact of the genes that have been PR:PROJECT_SUMMARY introduced into WT lines and compare the metabolic profiling of these plants PR:PROJECT_SUMMARY with WT control plants. Compounds of particular intereset for this study include PR:PROJECT_SUMMARY pyruvate, fumarate, malate, glyoxylate, anthocyanin, carotenes, and lipid PR:PROJECT_SUMMARY compounds. 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 U24DK097154 #STUDY ST:STUDY_TITLE Single treatment gene impact on Arabidopsis metabolites ST:STUDY_SUMMARY This experiment aims to measure the impact of the genes that have been ST:STUDY_SUMMARY introduced into WT lines and compare the metabolic profiling of these plants ST:STUDY_SUMMARY with WT control plants. Compounds of particular intereset for this study include ST:STUDY_SUMMARY pyruvate, fumarate, malate, glyoxylate, anthocyanin, carotenes, and lipid ST:STUDY_SUMMARY compounds. 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 34 ST:STUDY_COMMENTS Andrew Burch #SUBJECT SU:SUBJECT_TYPE Plant SU:SUBJECT_SPECIES Arabidopsis thaliana #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - Seed-Control-A Treatment:Control SUBJECT_SAMPLE_FACTORS - Seed-Control-B Treatment:Control SUBJECT_SAMPLE_FACTORS - Seed-Control-C Treatment:Control SUBJECT_SAMPLE_FACTORS - Seed-Control-D Treatment:Control SUBJECT_SAMPLE_FACTORS - Seed-Control-E Treatment:Control SUBJECT_SAMPLE_FACTORS - Seed-Control-F Treatment:Control SUBJECT_SAMPLE_FACTORS - Seed-111-1A Treatment:111 SUBJECT_SAMPLE_FACTORS - Seed-111-1B Treatment:111 SUBJECT_SAMPLE_FACTORS - Seed-111-2A Treatment:111 SUBJECT_SAMPLE_FACTORS - Seed-111-2B Treatment:111 SUBJECT_SAMPLE_FACTORS - Seed-111-3A Treatment:111 SUBJECT_SAMPLE_FACTORS - Seed-111-3B Treatment:111 SUBJECT_SAMPLE_FACTORS - Seed-133-1A Treatment:133 SUBJECT_SAMPLE_FACTORS - Seed-133-1B Treatment:133 SUBJECT_SAMPLE_FACTORS - Seed-133-2A Treatment:133 SUBJECT_SAMPLE_FACTORS - Seed-133-2B Treatment:133 SUBJECT_SAMPLE_FACTORS - Seed-133-3A Treatment:133 #COLLECTION CO:COLLECTION_SUMMARY Plants are 30-35d old. They were harvested in liquid N2, grounded to fine CO:COLLECTION_SUMMARY powder, distributed to individual falcon tubes and kept at dry ice before CO:COLLECTION_SUMMARY handing over the sample to core facility. CO:COLLECTION_PROTOCOL_FILENAME StudyDesign-AvinashSrivastava-82514.pdf CO:SAMPLE_TYPE Seeds #TREATMENT TR:TREATMENT_SUMMARY Single treatment gene impact on plant metabolites and compared to WT control: 1. TR:TREATMENT_SUMMARY Control (A,B,C,D,E,F total 6 replicates) 2. Sample 1 (A,B,C,D,E,F total 6 TR:TREATMENT_SUMMARY replicates) 3. Sample 2. (A,B,C,D,E,F total 6 replicates) TR:TREATMENT_PROTOCOL_FILENAME StudyDesign-AvinashSrivastava-82514.pdf #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME Sample_Prep_Avinash_Srivastava_mx_188894.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY UPLC CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Unspecified 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:INTERNAL_STANDARD See data dictionary CH:RETENTION_TIME See data dictionary 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 Isopropanol CH:TARGET_SAMPLE_TEMPERATURE Autosampler temp 4 C CH:RANDOMIZATION_ORDER Excel #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME WCMC Metabolomics Core AN:DETECTOR_TYPE TOF MCP AN:SOFTWARE_VERSION MassHunter AN:DATA_FORMAT .d #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 6530 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE 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:DESOLVATION_GAS_FLOW 11 l/min MS:DESOLVATION_TEMPERATURE 350 C MS:NEBULIZER 35 psig MS:OCTPOLE_VOLTAGE 750 MS:RESOLUTION_SETTING Extended Dynamic Range 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 Seed-Control-A Seed-Control-B Seed-Control-C Seed-Control-D Seed-Control-E Seed-Control-F Seed-111-1A Seed-111-1B Seed-111-2A Seed-111-2B Seed-111-3A Seed-111-3B Seed-133-1A Seed-133-1B Seed-133-2A Seed-133-2B Seed-133-3A Factors Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:111 Treatment:111 Treatment:111 Treatment:111 Treatment:111 Treatment:111 Treatment:133 Treatment:133 Treatment:133 Treatment:133 Treatment:133 CE (20:3) 36752 36922 36534 38184 35864 39731 39914 43555 40222 44191 39791 40529 40539 38442 39966 38067 37909 DG (36:3) 37143 47432 55477 52867 47153 45276 46150 38668 46562 51323 55890 64137 58809 60145 59656 52452 54577 DG (36:4)_1 21979 25851 25902 24594 23203 22024 21814 19420 22606 24821 23125 31891 30739 29662 26546 24531 22042 DG (36:4)_2 44869 58769 53596 54902 51140 46485 46335 39591 45590 51309 51426 65167 59716 59759 58783 49377 49523 DG (38:3) 20138 25950 26946 26775 25219 25073 23411 20019 23417 24083 24639 34109 29879 30511 31891 26520 26599 LPC (18:3) 18159 3283 3955 15124 3635 16994 16606 19201 18942 17753 17344 12774 12418 5615 10750 11154 PC (34:3) 188233 73378 73037 201838 109227 48771 275901 266722 311603 310861 324975 238412 210982 214604 100814 176449 164936 PC (34:4) 33657 14118 12835 33115 20158 7907 39033 38714 46282 42508 43199 38709 34683 35156 18148 28905 26906 PC (36:5) 830262 394150 355699 821606 506417 219922 986681 964298 1152719 1083512 1094388 965849 870608 881624 478328 715970 675353 PE (34:2) 70906 55262 50269 78790 61822 41533 107977 101162 122047 111445 122240 114743 102192 102966 60341 83627 78277 PE (34:3) 21198 18185 17526 23213 18906 15401 33055 30998 34515 35557 40736 25049 22860 24235 16162 19701 19312 TG (50:4) 296029 368599 393416 377388 351643 373721 393797 342740 384918 378831 407188 387789 350779 363960 342345 306317 280401 TG (50:5) 119977 155601 162381 162808 149376 168723 174016 148445 178736 176261 186260 155906 134971 141839 136649 118082 107788 TG (51:4) 49942 59155 59356 60579 55716 58316 59907 61450 65817 61523 71870 82397 78872 76886 76991 67324 70412 TG (52:4) 7046873 7676088 7691974 7657951 7534510 7781074 7979193 7768424 8017784 7899010 8115191 7533789 7171905 7198938 7340864 6795784 6700404 TG (52:5) 6176899 6799533 6746017 6673817 6596214 6977910 7057080 6645290 6876914 6879920 7042209 5696422 5643829 5672589 5581741 5257497 5086128 TG (52:6) 3005700 3383120 3325683 3253095 3163069 3421992 3449414 3013592 3245415 3232020 3163648 2279530 2163901 2202957 2097468 1962920 1807702 TG (53:4) 187240 234732 239062 231040 223373 228332 232954 215925 237213 229899 238657 291886 264281 270704 256899 235008 219523 TG (53:5) 79040 109288 105293 99829 95930 99919 102554 81498 103562 99320 98185 101300 93830 97917 84056 74682 65427 TG (54:2) 2211940 2372545 2432412 2413150 2359653 2419606 2443889 2411718 2386714 2410665 2458292 2716291 2552942 2478120 2692257 2462643 2525162 TG (54:4) 5619408 6001193 6018500 5965773 5804113 5790811 5842008 5625790 5734505 5672899 5695902 6128150 5847568 5808981 6011407 5649214 5631768 TG (54:6) 9373875 10077464 10149792 9933889 9730226 9301605 9460377 8942822 9435647 9188565 9221232 11092204 10671819 10574911 10677487 10028058 9834585 TG (54:7) 8662906 9663852 9696514 9357888 9129959 9154784 8899774 8474897 9264213 9019612 8805913 9213557 8722402 8784894 8536409 7949263 7565426 TG (54:8) 4263280 5192899 5180977 4946680 4712401 4839687 4700909 4352664 4990963 4851552 4682665 3879679 3524329 3626517 3306906 2898101 2688220 TG (55:1) 11639 14477 14405 15053 14033 16448 16338 14504 17337 16263 17885 19302 16561 15509 17352 16049 15675 TG (55:2) 83088 107730 106702 104205 99651 110272 105149 86597 98823 99204 100162 123580 121333 122435 119523 109917 99779 TG (56:3) 6053542 6526849 6530450 6416965 6168160 6176718 6199805 5930322 5973494 5996575 6069548 7038125 6638887 6383857 6933047 6396977 6525689 TG (56:4) 340845 339560 343302 340214 341742 357482 352825 405589 357512 374706 377884 391414 393221 398393 417585 395775 421440 TG (56:5) 535609 522859 542202 539186 528450 549942 561669 595754 554838 583291 596671 570105 565279 550057 565093 533401 549788 TG (56:6) 707416 653604 654929 653961 664518 650402 649672 722735 663475 652846 674702 699145 700092 712747 736661 713679 758517 TG (56:7) 12719241 13606965 13434703 13217573 12893760 12875949 13028345 12062639 12620722 12483770 12369767 10652304 10186848 10015887 10064459 9166762 8832251 TG (56:8) 1185584 1474287 1443347 1385036 1286116 1284863 1320495 1171532 1353652 1335447 1266417 850404 789156 806178 718089 628878 550041 TG (58:2) 1916714 2096998 2162053 2195308 2086907 2278700 2299053 2139514 2226571 2246898 2325193 2435451 2358816 2176794 2432228 2330505 2311508 TG (58:3) 4747050 5260851 5276272 5143767 5042206 4806455 4910542 4602094 4751658 4779867 4786553 5392078 5207143 4754494 5435126 4990018 4961680 TG (58:4) 5182355 5548507 5603706 5474670 5463738 5251496 5262158 5206479 5286847 5205084 5112990 5661847 5348775 5139327 5475239 5178426 5100316 TG (58:6) 4899370 5272185 5026495 4970735 4963436 4825494 4890765 4577805 4794376 4718935 4556810 4237220 4039914 3893054 4042915 3770585 3670554 CSH_posESI #081 47052 44593 45441 44532 45786 44345 45758 47301 42774 42099 43532 49284 47034 48225 51325 49918 49898 0.51_409.11 11363 7706 8879 9299 8466 4441 8610 8232 10040 7589 6176 19147 18589 18636 12692 15350 12763 0.53_310.17 3374742 762405 1355325 3308940 1146467 563385 4915100 4610663 5114861 4999089 4987078 5209226 4326388 4026448 2723062 3582760 4425567 0.53_354.16 23183 6313 9449 22960 8482 5003 33428 27945 34356 34036 33261 32083 28818 26561 19546 25597 27552 0.53_458.22 22834 8675 10027 22663 11524 5499 28621 34711 37525 41211 40286 33299 26776 25581 21219 23869 27368 0.53_251.09 140103 29251 52934 133345 45557 22061 202613 185824 206893 202250 205134 215175 172270 164873 107896 141176 182694 0.54_100.11 3345 3285 5076 3122 2933 2952 2777 94629 2367 2779 2982 2526 3094 4135 3233 2530 2570 0.56_130.16 94463 449878 237245 195826 333106 71125 77517 141893 102491 131690 175756 144769 47275 12035 27782 21749 113586 1.80_402.36 8204 3155 4769 9802 2515 9846 2146 2710 2065 3350 2674 3632 7639 21364 2010 4160 2448 2.94_228.20 9983 16958 55957 33672 82586 6734 59229 71698 9306 10117 35763 9514 49345 24429 5300 11632 30819 2.94_408.31 17037 31805 97777 61980 140525 11577 108036 125529 16956 19839 67511 16923 92167 46333 9513 19998 56109 2.95_444.38 11144 17834 55704 35774 76177 7129 61964 69260 10126 11808 37908 10303 51646 27517 5920 12455 31068 2.96_424.28 5590 8799 22004 16539 29113 3255 25523 27440 5323 6040 17296 5241 20517 12434 3100 5804 14222 2.98_430.37 5956 9971 28219 17261 39911 4284 31206 33136 5784 6475 18869 6059 24733 14297 3384 6709 15981 3.05_244.19 4109 6358 18620 12091 23354 2656 18864 20604 3225 4303 13266 3905 15043 8241 2027 3514 9925 3.62_750.50_3.61_772.49 53495 24335 26599 63316 38337 17598 101760 104915 112350 105885 126952 77807 71329 71735 37549 60772 60103 3.62_926.58 5677 4639 4523 6838 6102 3328 7624 7782 7943 8225 9110 7491 6345 6286 4605 5659 6164 3.92_752.52 42775 17774 18252 45422 23551 11552 58175 53632 63916 60603 61460 68042 59214 61882 30442 51052 49083 3.96_764.53 7686 9054 9857 8930 10467 9053 9666 9314 10250 10774 12250 9695 8210 8608 8045 6880 7186 4.00_778.54 121898 52397 48705 124625 68698 33961 176703 178092 199440 196337 202223 115335 99580 105791 50075 81488 78498 4.10_736.49 6622 6903 5722 8240 6504 5362 10618 9967 12300 11962 13135 7415 7278 6616 4076 5037 4405 4.15_573.49 16475 5977 4199 16923 6921 2681 25777 24585 28945 27912 27316 20417 19009 19476 9220 15594 13899 4.25_728.52 11452 4827 5725 13166 7242 3739 20138 17922 19207 19880 21554 18282 16571 17577 8835 14428 13590 4.31_802.58 107056 42894 37337 108937 56342 23800 138851 131617 167509 152991 161830 135633 120870 117677 53898 91192 84757 4.32_802.54 107056 42894 37337 108937 56342 23800 138851 131617 167509 152991 161830 135633 120870 117677 53898 91192 84757 4.34_870.52 12907 4616 4575 12169 6086 2336 15926 15261 19677 17736 18434 15951 13331 13486 6021 10430 9219 4.47_738.51 39293 30989 29405 40671 33627 22725 53239 49037 60558 58446 60712 46027 42451 43188 27273 33135 30104 4.51_575.50 51288 17240 13463 49044 19984 6830 69865 66161 75590 71856 79685 82211 75615 77446 31866 59163 58252 4.90_740.53_4.90_762.51 208968 184236 169707 222508 183412 128572 244615 236148 273466 256993 272028 285561 252908 259514 181566 210454 207843 5.11_630.51_5.11_635.47 17240 20553 22853 21070 19016 22541 23157 22553 25258 27296 28355 18388 16924 16849 15255 14260 13269 5.19_785.59 316343 149471 165396 379592 225088 97190 460528 439513 515756 474481 541073 554103 517939 524359 290686 463758 455909 5.46_397.38 29235 36123 37591 36891 33686 34898 35685 34503 36195 37473 38998 37766 34646 34470 33830 31470 29026 5.55_632.53 43695 55023 50728 51422 45943 49599 47982 42208 49085 54471 54834 50817 45081 44903 43193 40099 36825 5.99_655.47 7396 7971 7670 7896 7591 7569 7524 6193 7524 8502 7810 9865 9774 9511 9685 8300 8591 6.00_674.54 7021 8299 7757 7836 7340 7488 7995 6057 6497 8098 6495 6854 6267 6362 5475 4590 4661 6.02_1301.94 40941 47485 45992 45330 43279 40877 40295 36825 40512 44061 43093 52823 52339 50498 51147 45947 43825 6.49_676.55 6025 7979 7599 7170 7339 7407 6994 5594 7104 6826 6054 7738 7501 7788 7330 6110 5942 6.57_657.49 8541 9588 11987 11286 9942 9949 10740 9423 10299 11183 11927 13880 12008 12322 13072 11540 11309 6.67_793.60 5490 5783 6063 6212 7840 6252 6188 6556 6776 4265 4397 6441 4784 4800 5941 4771 6505 6.74_667.53 7022 9075 8904 8964 7979 8394 8462 7082 7929 8856 8361 8098 7153 7774 7239 6337 5766 7.14_795.61 6018 6003 6601 6345 7970 6162 6502 6397 6056 4037 4719 7733 5844 5279 7365 5869 7354 7.24_961.75 8344 10702 9933 10028 8801 7899 8197 6280 7379 6392 6420 6839 6910 6236 5762 5119 4706 7.29_821.63 9611 9265 10003 10927 12584 10792 10695 11155 10420 7293 7245 7445 5854 5407 6973 4735 6255 7.32_913.69 7285 10871 7862 7647 9775 7589 7987 7433 10650 5961 7102 6615 5578 5882 6079 7548 6100 7.41_911.69 6998 8962 8929 8547 8300 5587 5737 6406 7179 8279 7840 5972 5042 5328 5198 4762 4384 7.45_871.57 5181 12452 9328 8384 11989 6491 6509 8560 12396 4507 10344 10261 7562 7427 10210 14981 10075 7.58_941.72 9001 11269 9752 10352 9535 11511 10833 7440 8751 8651 8505 5165 4944 5145 4586 3856 3688 7.66_915.71 11466 17819 13675 13916 15689 14112 14821 12366 15040 12087 11884 14599 11632 12546 12387 14039 11784 7.66_963.76 15070 17761 17199 16603 15203 13729 13785 11494 13549 11894 11159 15879 14190 14679 14119 12048 11013 7.72_889.69 5133 8327 5934 6136 7449 6142 5966 5155 6770 4092 5244 4710 4222 4544 4410 5163 4552 7.74_823.64 8224 8247 8997 9715 12235 10479 10552 10333 10386 6473 7303 8766 7048 6593 9362 6776 8654 7.75_910.75 7101 11878 7852 8277 10410 7372 7761 7594 9828 5571 7345 8126 6446 6555 7515 8755 7951 7.88_913.72 15959 20938 23302 22113 21131 13421 13416 14631 16784 19443 18302 19808 16173 16413 15801 14384 14109 7.89_943.74 43120 50263 50832 48548 46916 49392 49722 39189 44822 41912 40587 35415 33663 34202 30126 27753 23944 7.92_938.78 16583 21561 21419 20541 19767 19239 19878 15281 18223 16984 16932 14776 13559 14077 12022 10830 9175 8.13_917.72 22147 30613 25834 26623 26609 25679 25802 20985 25909 21588 21156 28848 24727 24487 25713 27261 44024 8.27_862.70 9942 13658 14995 14160 12814 14761 14980 14347 16472 16890 18183 10260 9141 9567 8510 7310 6933 8.29_931.68 6862 8388 8938 8738 7400 5803 5563 6425 6746 7495 7220 8485 7714 7370 7355 7319 6688 8.29_951.78 5163 7468 7930 7235 6855 4706 4297 4189 5356 5865 5759 7670 5597 5976 5236 4657 4675 8.30_961.73 18985 20543 20345 20791 19602 20387 20783 17563 19788 18485 18329 18920 18278 19029 17361 16202 14978 8.30_940.79_8.31_945.75 135547 169394 167327 163642 159898 165840 166365 136393 161772 149340 151947 165034 146828 149530 136137 122059 111426 8.31_915.72 28496 37686 39602 39206 35649 23153 23161 24688 28192 32746 32513 37824 33468 33602 33538 28985 29059 8.32_910.74 18117 24266 26275 26675 23867 14602 14709 14720 18637 20467 20853 22583 19999 19752 19474 16949 16720 8.32_818.69_8.32_823.64 11463 11652 16422 13428 12208 12633 17736 19204 23422 22667 29023 19983 17345 17497 17065 14221 14677 8.34_941.78 29134 37794 37326 35634 34907 34475 36717 28547 40386 32529 32709 35997 32482 33196 28905 26939 23295 8.36_971.77 7379 9998 8555 8162 8145 8621 7740 6299 7447 6577 6694 5881 5757 5287 4813 4502 4205 8.51_967.80 7412 8672 8768 9246 8318 6822 6903 5366 6958 6478 5961 10038 8980 9094 7732 7175 6790 8.53_832.70_8.52_837.66 25630 31839 35218 33711 30958 31278 41209 43625 51267 50141 61365 49296 42975 44865 41677 36605 36339 8.65_885.64 9664 11529 12312 12827 11089 13237 13425 14258 14635 15034 16670 11680 10323 10482 10445 8880 8528 8.67_963.74 12967 15535 14993 14282 15048 14900 14147 13097 14690 12992 13029 18494 17427 18324 16755 15868 15994 8.68_886.75 15775 22204 24345 23915 22030 14614 14479 14574 16906 19662 20292 20937 18414 17845 18609 15467 14374 8.69_942.81 64251 87109 84032 83351 78369 79720 77639 62462 79817 71703 70911 98043 81416 87281 78234 68589 62262 8.69_905.75 10060 15926 13707 13724 13884 13228 14298 12567 15906 13843 15364 11344 8877 10065 9298 9324 7912 8.69_869.67 24503 30374 33680 33345 29343 34997 35596 34021 38659 38034 41376 29248 25956 29035 26294 23017 22338 8.69_927.78 7864 11869 12891 11539 10288 7190 7389 7614 8509 8716 9536 9695 7950 8299 7653 6331 6143 8.70_983.84 19416 28177 26934 26333 24964 25411 25689 18773 27520 22990 22724 28163 24697 24946 21229 18914 14941 8.71_864.71 35316 49826 51751 51953 46646 53098 56248 50410 59872 59891 64421 44479 39270 39897 36583 33035 29038 8.71_953.79 9646 13818 14502 13677 12535 7923 8024 7603 9072 10448 10194 14185 11606 11718 10394 9768 8947 8.72_917.77 67121 86902 86388 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106122 107981 108427 108532 111289 111778 116244 11.13_998.89 16197 15210 15099 15494 15695 14522 14282 15131 14334 13884 13807 14307 14405 14830 14565 14245 15423 11.15_969.86 127732 126384 129103 127233 129032 131899 132214 147415 131309 134536 137613 144474 142213 146762 150856 146747 153619 11.16_980.86 648303 710416 685054 660877 649838 609109 625187 585157 607923 594939 584817 542121 521171 479737 529493 479224 466182 11.16_1021.89 27166 28041 27165 27584 27354 25678 24611 25251 26155 24645 25211 22261 22564 19965 22487 21409 20762 11.17_1027.80 7760 7297 7512 6807 7134 7078 7032 7357 7439 7453 7602 6615 6882 6674 6796 6574 7115 11.18_1001.78 16224 16169 15984 15532 15795 15285 15079 16369 15288 15217 15305 15107 14231 14346 15516 15213 15182 11.18_985.83 77649 81332 75210 75838 74300 69116 69104 70933 69020 70227 68601 63469 60401 57392 62686 57975 59729 11.19_975.77 43408 44032 44511 45338 43891 44822 44652 46949 41749 44275 45048 39867 38346 37736 40889 37094 37796 11.20_1007.88 27700 31905 29741 29280 28104 27528 29685 24987 27983 28467 28547 20306 18666 17618 19944 17976 16630 11.22_1006.88 29426 36757 32772 33653 33679 32464 34046 28537 32026 33278 33051 22062 20847 20068 20640 19262 16314 11.22_916.83 177077 225461 222134 220911 206073 211966 217161 177729 205651 205961 202662 264120 246834 254004 250514 227161 209386 11.26_921.80 36179 42237 40039 39529 39251 40518 43098 39108 38037 40017 39761 51350 46795 45619 49411 45353 46039 11.27_1009.89 9110 11357 11243 10449 10045 9411 9622 8816 10657 9474 10319 9672 9136 7423 8951 7870 7858 11.33_971.88 137284 135398 129535 134256 131168 127213 129052 132307 126567 127461 125705 143537 140971 142452 146839 140272 144739 11.36_631.57 10252 11316 12210 11013 11036 10458 10453 9844 10392 10105 10047 12509 12195 11467 11410 11373 11215 11.37_907.82 106071 114415 120682 116958 115873 118666 118369 118167 117482 119189 120327 131430 123640 121966 132855 122015 122527 11.47_982.87 1192300 1353759 1291758 1253865 1248761 1132344 1140503 1110825 1180286 1113217 1098725 1040560 998135 912542 1041531 960099 915336 11.49_961.82 351942 357590 362456 365436 356866 362966 365794 384871 372648 370700 378201 365543 349927 336653 373284 345499 356697 11.49_1023.91 50264 49292 48260 48594 46795 42111 41503 43177 40775 41115 39536 39260 40387 35945 39340 37049 38785 11.49_997.89 130831 138975 139415 136359 135051 137848 139898 143912 139419 139873 141567 140373 135912 125354 136770 127120 132603 11.49_977.79 51695 47210 47208 48627 49332 51667 48594 55950 50679 50822 48335 49797 50686 50085 53316 49178 50653 11.50_987.84 140453 138700 137378 131206 136339 124593 124326 125027 122018 129040 133720 109848 106086 99077 110604 103808 105242 11.50_961.83 351942 357590 362456 365436 293625 362966 365794 384871 372648 370700 378201 312248 349927 336653 373284 345499 356697 11.51_1029.81 10648 9817 10470 10721 9690 10127 10419 11542 10354 10439 10325 9788 9830 8877 10266 9151 10149 11.52_1008.89 99121 118826 114441 113955 108140 109741 111177 108690 117869 113907 121165 99932 93467 85829 100286 90734 86183 11.55_1013.86 17668 19584 19671 19313 19187 18561 18701 20106 20079 19635 20875 23121 16922 14957 18010 17534 17567 11.57_944.86 93892 125737 120828 118146 110773 113939 114313 98282 112188 109288 110206 126664 127676 131610 126093 117055 100002 11.58_1003.80 23964 27511 27496 27205 26035 26860 27107 27406 26448 28447 29104 24683 23899 21137 24442 22076 23238 11.61_949.82 25429 29809 29561 28122 28516 26934 26868 26886 27180 26557 27835 30885 28733 27484 31136 28500 28798 11.67_979.81 53421 55079 54031 51974 53143 53715 52379 52632 47883 49035 49645 56643 54987 54054 58112 52457 55584 11.67_1031.83 10798 10332 10413 9641 9829 9344 10415 9711 9515 9574 9264 11119 9847 9197 10428 9725 10205 11.67_999.91 154126 159742 157748 157581 157534 149929 144495 147431 142378 145095 142113 160409 157055 152548 160639 151010 154651 11.68_966.84 17606 18978 17582 16939 17221 17885 17029 16647 16816 16831 16604 149840 17414 17489 18088 17032 17823 11.73_1037.92 15319 17185 5241 16987 4557 16240 16393 4252 4807 16000 4270 4284 13875 11769 14916 14085 13941 11.73_932.86 2176655 2365759 2459051 2450961 2391458 2513165 2593634 2533706 2519921 2598042 2646153 2851531 2648271 2582256 2756305 2576928 2677656 11.74_906.84 388238 426870 460596 454278 439535 501794 509503 517827 507176 527100 541635 545039 510471 506932 533539 503254 518846 11.74_984.89 1255641 1403040 1383753 1361812 1360199 1246350 1257346 1218121 1279754 1248764 1247755 1336308 1286774 1175746 1341164 1238639 1253057 11.75_907.83 241962 266193 285282 284555 273301 311787 315764 322175 315906 327213 350238 336687 318723 315609 334958 310344 329335 11.76_973.89 71017 73117 76034 72984 70337 76271 75819 79778 71680 74624 77149 77487 74481 78847 78433 78285 79942 11.77_1005.82 17190 17390 16779 16587 17372 15425 15427 18547 16079 16622 16317 16607 16652 15912 17387 15274 17221 11.77_937.82 159994 156967 159440 159673 161616 165061 175183 177844 164569 169604 181541 177685 168603 168686 181587 175332 180667 11.77_934.86 508230 548881 545853 542920 532899 545353 561419 557338 551340 560452 580636 616961 576706 559637 605804 567383 580603 11.78_1010.90 282330 327506 316158 317717 309298 293683 307007 288489 303488 302751 309150 300296 286659 247108 302800 278254 271586 11.78_1051.94 13053 12760 12911 12431 11875 11621 12733 12783 12561 11767 11983 12029 11176 10507 11486 11247 11481 11.78_989.85 159091 164867 161926 171909 166044 167664 164399 160451 156909 165745 164057 165162 156076 144819 169687 157026 155367 11.78_1025.92 45285 49050 46826 47392 45539 44064 47346 45786 44733 48090 45405 47771 47361 42659 46110 45199 44885 11.78_1015.87 40335 41840 40491 42520 40540 38584 37672 39499 38289 40629 39579 37751 34721 31487 41003 35702 36972 11.79_1028.93 9071 9651 9082 8716 8893 8683 8587 9247 8584 8884 57250 8901 8287 7990 9142 8895 8607 11.79_1036.93 15737 18382 18103 18220 17907 16451 18100 16868 18374 18196 19605 16099 14824 11947 15656 13852 14381 11.85_946.87 62547 76783 80429 77915 74370 74596 78266 68982 78587 76139 77990 81663 74653 70723 78572 70725 67621 11.86_972.89 84836 107151 111880 106061 101244 91846 94255 89858 100372 103736 101080 108723 101982 88405 105494 96733 88365 11.91_986.91_11.91_991.86 1611905 1831107 1847590 1801457 1739607 1682191 1703378 1543603 1631315 1641700 1652432 1849984 1797790 1576979 1865271 1757345 1709313 11.92_1027.94 66780 69210 68030 67296 68424 62665 64921 61632 61901 61880 62090 67692 68652 62966 71161 65565 64704 11.92_1007.85 17393 16541 17422 17033 16588 16675 16304 16995 16064 16324 16281 16879 16689 17110 16874 16292 17733 11.93_939.83 41882 43145 45656 46048 43362 52055 51918 60065 54096 56867 58880 52567 50982 50229 53452 50723 56007 11.93_952.83 10555 11671 12818 11435 10324 11829 11206 9614 11170 10297 11033 10004 9885 10466 9764 8895 8176 11.93_935.88 244975 278788 310556 309902 290463 358148 365123 358893 370191 382096 403447 378376 355085 340541 375713 352368 355577 11.94_1012.92 443800 519315 520296 505781 490879 488443 482841 458360 490527 496054 486827 491305 476017 412838 510846 465943 460569 11.96_962.90_11.94_967.86 461980 509952 520651 525133 506405 550614 556532 510589 533380 534879 366646 362044 572286 533834 386333 358237 561526 11.95_936.85 82585 93141 102060 102191 99480 123413 119182 120763 128193 130041 137506 125613 121202 110909 123816 117132 118840 11.96_1065.96 3950 5088 5238 4767 4446 4607 4711 4939 5786 5160 5634 3960 4220 3659 4590 4620 4199 11.96_1064.96 4457 5246 5103 4965 4453 4839 5542 4720 5445 5191 5869 4416 4189 3713 4285 4764 4102 11.96_1001.92 81679 98579 105530 95710 95812 92614 90425 89137 97716 90800 94761 95470 97321 89266 99745 97699 91221 11.97_1033.86 11798 11104 11333 10638 11152 11218 11256 11648 10954 11565 11784 10629 10165 9912 11409 10561 11041 11.97_1127.06 4648 4385 5680 5190 5050 4869 4824 5113 4510 5147 5242 5365 5269 5291 5147 4065 3613 11.97_1033.89 8211 11104 11333 10638 11152 11218 11256 11648 10954 11565 11784 10629 10165 9912 11409 10561 11041 11.98_980.87 13964 15683 16591 16430 14702 14139 15330 14250 20722 14083 14008 14928 13347 11728 14706 13589 13339 11.99_974.90 82729 104829 108913 100776 98886 99162 94736 81721 102075 96163 98911 98225 104656 99011 106844 106536 86540 11.99_1000.92 103583 129034 136678 132753 130128 120005 114410 105840 127480 119635 121855 119265 128481 120504 130423 131315 106808 11.99_1005.89 24018 27757 26461 26055 26070 21952 23431 24294 24515 23220 24415 22904 23603 17486 25706 23939 24047 12.01_979.86 19366 21087 21513 20421 20221 19159 20526 20263 21619 20573 20764 20343 19334 15201 21544 18678 20014 12.02_956.86 27965 34428 38643 32471 30453 33606 32600 24677 56703 30813 30305 31841 34586 39035 32561 31612 27175 12.02_1036.88 7784 8759 8234 7717 8995 7986 8673 9226 17467 8122 8750 9016 8732 7804 9452 8215 8837 12.03_896.77 7710 8526 9420 8137 7540 8606 7671 4846 7526 7038 7102 7001 8707 12409 8141 8259 5958 12.04_1055.97 24159 29434 28826 27480 27825 28718 28061 26287 27580 28921 29166 29290 30343 29595 32650 30094 29477 12.04_950.89 18676 24424 24516 23850 22429 28570 29033 33138 34386 29621 35839 24264 23019 20855 27631 25415 24788 12.04_1009.86 11539 13058 12605 12807 12726 12750 13705 14177 11875 13366 14301 13782 14209 13759 14021 13986 13770 12.04_1040.95 87624 107805 106157 100953 99331 105827 102974 96334 104187 105672 112410 111751 110288 87887 120429 111850 108654 12.04_988.92_12.04_993.88 654308 779128 813306 774036 749265 847984 839478 761502 797496 835024 891238 910278 905285 765203 976132 894820 869002 12.04_963.91_12.04_968.86 146469 179927 192491 188880 178594 221715 214671 202614 208375 218903 243647 237394 228572 204988 247881 226199 222040 12.04_1029.95 32466 38147 39225 39028 38659 41562 39842 36130 39480 39983 43031 43759 45069 45958 47021 45934 42392 12.04_1014.94_12.05_1019.89 564337 633737 656712 611941 600770 636181 638852 620593 610128 640818 675563 678326 677804 586075 734542 673588 654542 12.04_898.79 12066 13862 13848 12602 12001 14245 12777 8099 12117 12478 12587 13755 15392 23517 14561 15831 10785 12.05_872.77 8390 9313 9786 8462 7856 10362 9072 5566 8985 9517 8556 8001 9222 14383 9133 9477 6632 12.05_1081.99 5998 6133 6462 5907 6551 6860 6161 6441 6767 6452 6890 6163 6496 6046 6961 6833 6162 12.06_927.82 22840 26907 28762 24192 24445 27064 25319 15919 24910 24054 22550 21851 27354 39651 24299 27612 18758 12.08_1019.93 74670 13117 83127 77774 13050 79317 81189 81110 77782 81962 85856 15605 80407 61729 88606 80610 87406 12.08_1195.12 8737 9648 9788 9400 9213 10562 11118 10361 10151 10990 12047 10380 10386 10313 9507 8933 9195 12.08_928.83 32330 41461 44697 37797 36202 42636 37535 23869 40769 36087 35157 36219 44480 57887 38502 43419 31780 12.11_1020.94 52263 58656 57804 5277 56613 6184 5824 5349 54965 6170 7320 59726 6549 43272 61722 57644 6082 12.12_1068.98 14972 18492 19301 18401 18388 19391 17721 17108 19763 18696 18966 16994 19230 15642 20362 20780 17876 12.12_1084.00 4659 5886 6353 5667 5555 5636 5712 5560 6001 6359 6087 6106 6761 6660 6724 7549 6358 12.12_1047.93 14526 16144 16671 15503 15748 16107 16838 16376 17581 17210 16877 17090 16172 10961 20178 17631 19155 12.15_1109.02 3996 4621 4541 4561 4792 5034 4260 4516 5453 4901 4720 4186 4371 3828 5283 5120 4077 12.19_1006.95 5771 7463 7309 7053 6846 9828 8630 10253 10512 10000 10613 6468 7301 6411 8305 8242 7230 12.23_1125.05 5041 6112 6050 5623 5986 5919 5578 5595 6653 6505 6321 5581 5689 3897 6503 6669 5933 12.24_1061.00 6490 9209 8412 7827 8268 10373 10703 9711 10664 10377 11431 7542 7212 5276 9747 8810 8221 12.24_1034.98 9555 11668 12006 11001 11138 15499 14000 14282 15809 15228 16738 9335 10114 7464 12788 11567 10706 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Identifier m/z RT Adduct InChI Key Molecular Formula CE (20:3) 10.55_697.59_10.56_692.64 697.5907_692.6350 10.5535 [M+Na]+ XQWTZYBOKFFMKJ-HXQMAXTDSA-N C47H78O2 DG (36:3) 6.57_636.56_6.57_641.51 636.5565_641.5124 6.565 [M+NH4]+ BLZVZPYMHLXLHG-JOBMVARSSA-N C41H68O5 DG (36:4)_1 6.00_639.50 639.4965 6 [M+Na]+ MQGBAQLIFKSMEM-ZHARMHCNSA-N C39H68O5 DG (36:4)_2 6.03_634.54 634.5411 6.034 [M+NH4]+ MQGBAQLIFKSMEM-ZHARMHCNSA-N C39H68O5 DG (38:3) 7.21_664.59_7.21_669.54 664.5875_669.5438 7.2075 [M+NH4]+ ADXAWIIUCSQOAS-SMJOZILHSA-N C41H74O5 LPC (18:3) 1.06_518.32 518.3244 1.062 [M+H]+ WKQNRCYKYCKESD-YVHLTTHBSA-N C26H48NO7P PC (34:3) 4.70_756.55_4.71_778.54 756.5546_778.5373 4.7085 [M+H]+ SSQFWAKSSUYHFV-YVTPCJIFSA-N C40H80NO8P PC (34:4) 4.25_754.54 754.5388 4.253 [M+H]+ BXZPYXMUABUWBT-JAHIUHDMSA-N C42H76NO8P PC (36:5) 4.36_780.55 780.5545 4.365 [M+H]+ KKRYRHYMXROGPM-SOVKMKKSSA-N C44H78NO8P PE (34:2) 5.29_716.53_5.30_738.50 716.5254_738.5049 5.2955 [M+H]+ HBZNVZIRJWODIB-NHCUFCNUSA-N C39H74NO8P PE (34:3) 4.88_714.51 714.5074 4.878 [M+H]+ SSRRIJSEUKHYFB-DFCPKGTFSA-N C39H72NO8P TG (50:4) 9.81_849.70_9.83_844.74 849.696_844.74 9.8215 [M+Na]+_[M+NH4]+ PVMBAGXWHHZKFP-JMPJWMFJSA-N C53H94O6 TG (50:5) 9.43_847.68_9.46_842.73 847.6805_842.725 9.443 [M+Na]+_[M+NH4]+ AFTBPUXZTDLRSP-UDQIKIEDSA-N C53H92O6 TG (51:4) 10.08_858.75 858.755 10.076 [M+NH4]+ IIRQXNVLAXQEKB-KBEZCZBDSA-N C54H96O6 TG (52:4) 10.29_855.74_10.27_872.77 855.7441_872.7704 10.2805 [M+NH4]+ TG (52:5) 9.88_875.71_9.89_870.75 875.7124_870.7550 9.8865 [M+Na]+ CQZAAIKPSLHIBC-KDJOUNIJSA-N C55H96O6 TG (52:6) 9.51_873.70_9.55_868.74 873.6978_868.7403 9.5305 [M+Na]+_[M+NH4]+ C55H94O6 TG (53:4) 10.51_886.79 886.7877 10.506 [M+NH4]+ BMSDHYZLQWTKSQ-LSJAAEOESA-N C56H100O6 TG (53:5) 10.12_884.77 884.7712 10.124 [M+NH4]+ QHYAATSKYBYSLG-BXDFBOBBSA-N C56H98O6 TG (54:2) 11.38_904.83 904.8305 11.38 [M+NH4]+ RYNHWWNZNIGDAQ-WGSDILPMSA-N C57H106O6 TG (54:4) 10.68_900.80 900.8008 10.681 [M+NH4]+ BRLGHZXETDWABO-NOFIOOQLSA-N C57H102O6 TG (54:6) 9.91_901.73_9.92_896.77 901.7265_896.7697 9.915 [M+Na]+ HBOQXIRUPVQLKX-BBWANDEASA-N C57H98O6 TG (54:7) 9.53_899.71_9.54_894.75 899.7135_894.7546 9.5355 [M+Na]+ GBDGUGNAHCFRDF-HCMATFEHSA-N C57H96O6 TG (54:8) 9.14_892.74_9.13_897.70 892.7423_897.7045 9.137 [M+NH4]+ BMPVTDWOWBNPJU-NYRSPQLFSA-N C57H94O6 TG (55:1) 11.84_920.87 920.8655 11.844 [M+NH4]+ ZYVNTODVJDOUDW-HTHROTNSSA-N C58H108O6 TG (55:2) 11.59_923.80_11.56_918.85 923.8019_918.8498 11.575 [M+Na]+_[M+NH4]+ SYUSUQJTEKOQOE-JDIAMVNZSA-N C58H106O6 TG (56:3) 11.33_935.80_11.38_930.85 935.8047_930.8473 11.3595 [M+Na]+_[M+NH4]+ QXMHHXQBBKDSSL-BAQZNRHJSA-N C59H108O6 TG (56:4) 11.14_933.79 933.7884 11.14 [M+Na]+ YONCDTJKIZDSKQ-IYASBODOSA-N C59H106O6 TG (56:5) 10.81_931.77 931.775 10.807 [M+Na]+ UHEJWASONFIROS-YPSHDQQVSA-N C59H104O6 TG (56:6) 10.40_929.76 929.7605 10.399 [M+Na]+ ZTNDRFCABXFVMY-WJTCTALZSA-N C59H102O6 TG (56:7) 10.04_922.78_10.06_927.75 922.7830_927.7460 10.0525 [M+NH4]+ DODZUDCYRVWEOJ-GKZBLMSTSA-N C59H100O6 TG (56:8) 9.66_920.77 920.7732 9.66 [M+NH4]+ UBGUHMDKBGQUND-VPFWBQFRSA-N C59H98O6 TG (58:2) 11.92_960.89_11.93_965.85 960.8880_965.8463 11.925 [M+Na]+ TG (58:3) 11.67_963.83_11.72_958.88 963.8314_958.8787 11.6975 [M+Na]+_[M+NH4]+ RFMSTHTUAZETPD-JJPHLYBUSA-N C61H112O6 TG (58:4) 11.42_956.86 956.8636 11.415 [M+NH4]+ A CCKRHDUCFMOBKX-AAINFQTBSA-N C61H110O6 TG (58:6) 10.78_952.83_10.79_957.79 952.8287_957.7924 10.788 [M+NH4]+ GSNFRUMSEHHPSY-LCXCSEBNSA-N C61H106O6 CSH_posESI #081 11.32_951.78 951.7802 11.325 0.51_409.11 0.51_409.11 409.1114 0.513 0.53_310.17 0.53_310.17 310.1657 0.53 0.53_354.16 0.53_354.16 354.1562 0.53 0.53_458.22 0.53_458.22 458.218 0.53 0.53_251.09 0.53_251.09 251.092 0.531 0.54_100.11 0.54_100.11 100.1124 0.538 0.56_130.16 0.56_130.16 130.159 0.556 1.80_402.36 1.80_402.36 402.3581 1.797 2.94_228.20 2.94_228.20 228.196 2.936 2.94_408.31 2.94_408.31 408.3095 2.943 2.95_444.38 2.95_444.38 444.3795 2.946 2.96_424.28 2.96_424.28 424.2831 2.959 2.98_430.37 2.98_430.37 430.3693 2.977 3.05_244.19 3.05_244.19 244.1909 3.053 3.62_750.50_3.61_772.49 3.62_750.50_3.61_772.49 750.5049_772.4895 3.6165 3.62_926.58 3.62_926.58 926.5842 3.623 3.92_752.52 3.92_752.52 752.523 3.915 3.96_764.53 3.96_764.53 764.5312 3.955 4.00_778.54 4.00_778.54 778.5393 3.995 4.10_736.49 4.10_736.49 736.4917 4.101 4.15_573.49 4.15_573.49 573.488 4.155 4.25_728.52 4.25_728.52 728.5236 4.253 4.31_802.58 4.31_802.58 802.5773 4.312 4.32_802.54 4.32_802.54 802.5435 4.323 4.34_870.52 4.34_870.52 870.5239 4.338 4.47_738.51 4.47_738.51 738.5072 4.472 4.51_575.50 4.51_575.50 575.5037 4.51 4.90_740.53_4.90_762.51 4.90_740.53_4.90_762.51 740.5267_762.5052 4.901 5.11_630.51_5.11_635.47 5.11_630.51_5.11_635.47 630.5101_635.4651 5.1085 5.19_785.59 5.19_785.59 785.587 5.19 5.46_397.38 5.46_397.38 397.3833 5.46 5.55_632.53 5.55_632.53 632.5254 5.555 5.99_655.47 5.99_655.47 655.4705 5.994 6.00_674.54 6.00_674.54 674.5358 6.004 6.02_1301.94 6.02_1301.94 1301.9431 6.023 6.49_676.55 6.49_676.55 676.5514 6.494 6.57_657.49 6.57_657.49 657.4861 6.569 6.67_793.60 6.67_793.60 793.5969 6.668 6.74_667.53 6.74_667.53 667.5278 6.735 7.14_795.61 7.14_795.61 795.6112 7.142 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11.76_973.89 11.76_973.89 973.8915 11.759 11.77_1005.82 11.77_1005.82 1005.8185 11.765 11.77_937.82 11.77_937.82 937.8153 11.771 11.77_934.86 11.77_934.86 934.8649 11.773 11.78_1010.90 11.78_1010.90 1010.9028 11.776 11.78_1051.94 11.78_1051.94 1051.9383 11.78 11.78_989.85 11.78_989.85 989.8482 11.782 11.78_1025.92 11.78_1025.92 1025.922 11.783 11.78_1015.87 11.78_1015.87 1015.8721 11.783 11.79_1028.93 11.79_1028.93 1028.9342 11.785 11.79_1036.93 11.79_1036.93 1036.9264 11.794 11.85_946.87 11.85_946.87 946.8727 11.851 11.86_972.89 11.86_972.89 972.889 11.859 11.91_986.91_11.91_991.86 11.91_986.91_11.91_991.86 986.9067_991.8623 11.9105 11.92_1027.94 11.92_1027.94 1027.9383 11.916 11.92_1007.85 11.92_1007.85 1007.8524 11.92 11.93_939.83 11.93_939.83 939.8303 11.926 11.93_952.83 11.93_952.83 952.8331 11.927 11.93_935.88 11.93_935.88 935.8778 11.93 11.94_1012.92 11.94_1012.92 1012.9209 11.937 11.96_962.90_11.94_967.86 11.96_962.90_11.94_967.86 962.9021_967.8567 11.949 11.95_936.85 11.95_936.85 936.8531 11.952 11.96_1065.96 11.96_1065.96 1065.9582 11.957 11.96_1064.96 11.96_1064.96 1064.9563 11.959 11.96_1001.92 11.96_1001.92 1001.9233 11.963 11.97_1033.86 11.97_1033.86 1033.8609 11.965 11.97_1127.06 11.97_1127.06 1127.062 11.971 11.97_1033.89 11.97_1033.89 1033.8862 11.972 11.98_980.87 11.98_980.87 980.8652 11.977 11.99_974.90 11.99_974.90 974.9028 11.989 11.99_1000.92 11.99_1000.92 1000.9198 11.99 11.99_1005.89 11.99_1005.89 1005.8889 11.991 12.01_979.86 12.01_979.86 979.8644 12.011 12.02_956.86 12.02_956.86 956.863 12.015 12.02_1036.88 12.02_1036.88 1036.8796 12.024 12.03_896.77 12.03_896.77 896.7706 12.026 12.04_1055.97 12.04_1055.97 1055.9692 12.035 12.04_950.89 12.04_950.89 950.8878 12.036 12.04_1009.86 12.04_1009.86 1009.8615 12.037 12.04_1040.95 12.04_1040.95 1040.9522 12.038 12.04_988.92_12.04_993.88 12.04_988.92_12.04_993.88 988.9217_993.8764 12.0385 12.04_963.91_12.04_968.86 12.04_963.91_12.04_968.86 963.9071_968.8596 12.0395 12.04_1029.95 12.04_1029.95 1029.9536 12.041 12.04_1014.94_12.05_1019.89 12.04_1014.94_12.05_1019.89 1014.9371_1019.8930 12.043 12.04_898.79 12.04_898.79 898.785 12.043 12.05_872.77 12.05_872.77 872.7702 12.047 12.05_1081.99 12.05_1081.99 1081.9867 12.054 12.06_927.82 12.06_927.82 927.8174 12.06 12.08_1019.93 12.08_1019.93 1019.9323 12.076 12.08_1195.12 12.08_1195.12 1195.1248 12.08 12.08_928.83 12.08_928.83 928.8312 12.083 12.11_1020.94 12.11_1020.94 1020.9448 12.105 12.12_1068.98 12.12_1068.98 1068.9819 12.116 12.12_1084.00 12.12_1084.00 1084.0006 12.119 12.12_1047.93 12.12_1047.93 1047.9324 12.122 12.15_1109.02 12.15_1109.02 1109.0209 12.152 12.19_1006.95 12.19_1006.95 1006.9548 12.186 12.23_1125.05 12.23_1125.05 1125.0506 12.226 12.24_1061.00 12.24_1061.00 1061.0022 12.236 12.24_1034.98 12.24_1034.98 1034.9847 12.242 METABOLITES_END #END