#METABOLOMICS WORKBENCH efahy_20160115_125346 STUDY_ID:ST000323 ANALYSIS_ID:AN000515 PROJECT_ID:PR000261 VERSION 1 CREATED_ON January 15, 2016, 12:53 pm #PROJECT PR:PROJECT_TITLE Progesterone level effects on primary metabolites in uterus, blood, and ovaries PR:PROJECT_SUMMARY In this experiment a hormonal protocol was applied to control follicle growth to PR:PROJECT_SUMMARY yield larger or smaller preovulatory follicle and CLs and consequently different PR:PROJECT_SUMMARY circulating Progesterone (P4) concentrations during early diestrus. The two PR:PROJECT_SUMMARY different animals group are: high or low progesterone levels. The effects of PR:PROJECT_SUMMARY these progesterone levels was tested in the uterus, blood, and ovaries of the PR:PROJECT_SUMMARY cow. 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 Progesterone level effects on primary metabolites in uterus, blood, and ovaries ST:STUDY_TITLE (Part 2:Uterine flush) ST:STUDY_SUMMARY In this experiment a hormonal protocol was applied to control follicle growth to ST:STUDY_SUMMARY yield larger or smaller preovulatory follicle and CLs and consequently different ST:STUDY_SUMMARY circulating Progesterone (P4) concentrations during early diestrus. The two ST:STUDY_SUMMARY different animals group are: high or low progesterone levels. The effects of ST:STUDY_SUMMARY these progesterone levels was tested in the uterus of the cow. 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 1 ST:TOTAL_SUBJECTS 60 #SUBJECT SU:SUBJECT_TYPE Animal SU:SUBJECT_SPECIES Bos taurus #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - 81 Organ:Flush SUBJECT_SAMPLE_FACTORS - 82 Organ:Flush SUBJECT_SAMPLE_FACTORS - 83 Organ:Flush SUBJECT_SAMPLE_FACTORS - 84 Organ:Flush SUBJECT_SAMPLE_FACTORS - 85 Organ:Flush SUBJECT_SAMPLE_FACTORS - 86 Organ:Flush SUBJECT_SAMPLE_FACTORS - 87 Organ:Flush SUBJECT_SAMPLE_FACTORS - 88 Organ:Flush SUBJECT_SAMPLE_FACTORS - 89 Organ:Flush SUBJECT_SAMPLE_FACTORS - 90 Organ:Flush SUBJECT_SAMPLE_FACTORS - 131 Organ:Flush SUBJECT_SAMPLE_FACTORS - 132 Organ:Flush SUBJECT_SAMPLE_FACTORS - 133 Organ:Flush SUBJECT_SAMPLE_FACTORS - 134 Organ:Flush SUBJECT_SAMPLE_FACTORS - 135 Organ:Flush SUBJECT_SAMPLE_FACTORS - 136 Organ:Flush SUBJECT_SAMPLE_FACTORS - 137 Organ:Flush SUBJECT_SAMPLE_FACTORS - 138 Organ:Flush SUBJECT_SAMPLE_FACTORS - 139 Organ:Flush SUBJECT_SAMPLE_FACTORS - 140 Organ:Flush SUBJECT_SAMPLE_FACTORS - 171 Organ:Flush SUBJECT_SAMPLE_FACTORS - 172 Organ:Flush SUBJECT_SAMPLE_FACTORS - 173 Organ:Flush SUBJECT_SAMPLE_FACTORS - 174 Organ:Flush SUBJECT_SAMPLE_FACTORS - 175 Organ:Flush SUBJECT_SAMPLE_FACTORS - 176 Organ:Flush SUBJECT_SAMPLE_FACTORS - 177 Organ:Flush SUBJECT_SAMPLE_FACTORS - 178 Organ:Flush SUBJECT_SAMPLE_FACTORS - 179 Organ:Flush SUBJECT_SAMPLE_FACTORS - 180 Organ:Flush #COLLECTION CO:COLLECTION_SUMMARY Uterine flushing: uterus were flushed postmortem with isotonic saline solution CO:COLLECTION_SUMMARY and kept at 80ºC. There was no inactivation or attenuation because samples are CO:COLLECTION_SUMMARY not biohazard. CO:COLLECTION_PROTOCOL_FILENAME StudyDesign-MarioBinelli-101414.pdf CO:SAMPLE_TYPE uterine flushing #TREATMENT TR:TREATMENT_SUMMARY There was no specific treatment. A hormonal protocol was applied to control TR:TREATMENT_SUMMARY follicle growth to yield larger or smaller preovulatory follicle and CLs and TR:TREATMENT_SUMMARY consequently different circulating Progesterone (P4) concentrations during early TR:TREATMENT_SUMMARY diestrus. The two different animals group are: high or low progesterone levels. TR:TREATMENT_PROTOCOL_FILENAME StudyDesign-MarioBinelli-101414.pdf #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME SOP Extraction of Mammalian Tissue Samples.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: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: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 81 82 83 84 85 86 87 88 89 90 131 132 133 134 135 136 137 138 139 140 171 172 173 174 175 176 177 178 179 180 Factors Organ:Flush Organ:Flush Organ:Flush Organ:Flush Organ:Flush Organ:Flush Organ:Flush Organ:Flush Organ:Flush Organ:Flush Organ:Flush Organ:Flush Organ:Flush Organ:Flush Organ:Flush Organ:Flush Organ:Flush Organ:Flush Organ:Flush Organ:Flush Organ:Flush Organ:Flush Organ:Flush Organ:Flush Organ:Flush Organ:Flush Organ:Flush Organ:Flush Organ:Flush Organ:Flush Ceramide (d34:0) 19240 6654 10011 19037 9730 4774 25755 37443 8854 19545 7862 30290 21478 10432 8689 8593 18682 5606 6241 13286 28778 9586 45964 12649 8730 91521 8848 68691 45329 37547 Ceramide (d34:1) 55220 23759 29375 63060 29132 15125 34785 57059 15973 61083 16043 57735 33844 22530 16235 25171 61640 21329 34260 36691 73125 23027 74679 71577 27297 88250 29826 95019 73562 109877 Ceramide (d36:1) 9125 3994 4234 21433 5144 2508 8650 10766 3890 11707 3226 11316 5297 4199 3355 3353 11320 3818 3974 10113 10649 2623 15598 10128 19608 3581 19995 12059 14539 Ceramide (d40:0) 2193 3202 3882 9528 3287 3670 2198 7760 8059 2602 3565 2826 4305 3963 3891 5006 3728 12411 11927 4376 3130 Ceramide (d40:1) 12895 2517 3910 22239 10903 18412 4563 17011 3261 19475 11115 4199 3394 8740 18076 3162 8145 12352 12678 3332 29575 12102 38869 4156 49048 19011 14848 Ceramide (d40:2) 2183 2284 2070 3199 2478 2585 2430 2391 2171 2075 2022 2245 2359 2066 2252 2450 2079 2198 2520 2752 2523 3030 2549 2314 Ceramide (d41:1) 6237 2354 3698 3299 4316 3457 3519 4368 3474 7135 8670 3060 3546 Ceramide (d42:0) 3370 2326 3397 9267 3720 2482 2890 8255 9443 2836 3455 2939 5780 4633 4883 4430 4951 12152 2247 10901 4668 3346 Ceramide (d42:1) 12213 3122 6549 32859 5618 12742 21841 8706 15105 6185 23016 15312 6876 6790 11031 26179 7605 14122 18959 15996 33875 15459 47620 8005 58459 23862 20216 FA (12:0) (lauric acid) 4259 22289 14954 92261 71304 8278 95700 41216 3057 6702 10202 4906 4605 6542 8306 14953 26206 8755 7000 14394 123544 8509 40897 21937 11934 19683 52027 19798 51789 51053 FA (16:1) (palmitoleic acid) 4999 3612 3123 101393 7926 3727 8779 5723 2654 4641 2594 3531 3287 2176 3925 5933 6303 2702 2441 4256 5321 3437 10527 6114 3371 11104 5888 15612 8092 7330 FA (18:1) (oleic acid) 87225 49111 61615 1446767 129353 53472 150640 141974 87038 181895 59492 133198 79368 44590 79694 70951 278157 84603 77982 153338 140663 66981 430390 200790 92202 397930 102993 551047 223825 293916 FA (18:3) (linolenic acid) 2574 111980 11817 3503 13869 8866 5316 13347 2947 2761 2666 2687 9320 2116 2471 5025 10892 8133 22942 18515 9000 31038 8623 26847 8213 14969 FA (20:1) (eicosenoic acid) 3570 25597 2776 3308 3384 3874 2892 4455 2463 3042 2222 8077 5166 2109 8471 3367 16013 4831 6180 GlcCer (d40:1) 3995 2967 3400 4286 2384 9632 2342 4468 2261 2039 2158 2993 4839 6885 7313 3049 7994 4967 3571 PE (34:1) 13276 4329 6405 16207 7034 4788 9791 8778 6208 7181 4948 9306 9614 4165 5038 5724 9199 3884 6864 4991 10703 4219 14088 3881 20827 3665 21930 8284 6227 PE (36:2) 23081 7787 7955 21795 9920 5951 9883 9236 5469 6955 4438 8516 9087 4062 4836 5986 6685 3727 11059 4309 12953 5581 23096 12264 4688 23555 5585 26601 14000 8460 PE (36:3) 18160 8241 13518 20507 5363 3896 7985 7787 5389 3425 2881 9316 9442 4164 5106 3735 5991 4426 7166 5351 19769 4324 23142 12840 19262 5677 19069 13223 13208 PE (36:4) 4139 4468 4687 3681 4893 2427 3007 2088 3454 5649 2571 6640 2008 5600 3246 3226 PE (p-34:1) or PE (o-34:2) 17452 5725 6047 19123 7693 4368 8832 7015 5063 12131 3525 6722 8914 3961 4326 6258 10066 4712 10909 4960 9864 4678 19208 7932 5011 20045 5183 17875 9484 8826 PE (p-36:1) or PE (o-36:2) 7432 2265 2650 16146 3091 4097 2849 4277 2368 2965 2009 3814 4774 2407 4180 12190 4413 8729 2608 9744 5288 4053 PE (p-38:5) or PE (o-38:6) 8604 2176 19650 4874 5230 5669 2619 5100 5051 4496 4186 6797 5488 4358 13346 16262 17756 20114 8583 17815 10265 9297 PE (p-40:6) or PE (o-40:7) 10832 4611 6326 23224 9029 5075 10302 7517 4298 9145 2910 3606 6477 4553 3017 5621 8106 3415 10741 6190 9670 4768 29046 2024 10592 3728 22045 8432 5147 PE (p-40:7) or PE (o-40:8) 21382 4446 9083 33094 12066 5593 15194 11338 4012 8896 3186 5151 10823 5888 4561 5654 11239 4067 17518 6626 17198 7708 44335 4587 6041 18151 7104 34742 14917 8163 CSH_negESI #113 2091 5219 2071 3341 2352 2396 4526 2419 3246 3041 5683 4159 7878 2012 9619 4137 4051 CSH_negESI #586 3104 2688 3516 2024 2679 2747 2394 5545 2505 2259 3739 2716 2664 2355 6687 2126 3399 2691 2145 CSH_negESI #628 8628 4317 2452 5459 2262 2185 4396 5856 3861 17471 2509 4855 3131 2224 2116 7286 3979 4756 5689 2818 7133 2020 4963 10815 8506 6151 8531 7865 8093 CSH_negESI #631 40994 18714 26629 46181 40048 16508 58853 31272 24811 47255 12838 23100 34629 20274 18731 26031 53968 20017 47825 25213 39661 20951 76368 13786 17462 43605 18086 63023 25654 24455 CSH_negESI #668 3285 14621 3414 3006 2002 4342 2666 2402 4854 2077 2719 2839 4579 7245 8001 12580 3958 8992 5735 4172 CSH_negESI #713 30142 10144 21433 42143 15923 7286 25217 25391 11629 14799 9976 20239 20995 10164 11259 12364 19861 10341 26070 13237 35761 11599 52704 28569 12886 69793 18312 77763 29526 30443 CSH_negESI #743 2121 14423 2107 3274 2396 3903 2233 3720 2226 2806 3117 3267 6285 4183 2162 6170 2806 2754 CSH_negESI #770 9216 3173 5677 12104 5539 3724 2023 3222 3707 3266 2388 11236 2764 20128 2407 21694 2470 28058 9396 10507 0.50_98.95 2653 3049 3227 2374 7956 20536 2905 4721 2384 2753 2029 4990 27328 5626 2896 0.50_137.03 9535 3767 2205 3168 2697 2577 2113 2821 2879 3637 3776 2832 3291 4035 3887 2773 2956 2551 2723 3629 4185 4231 3738 4804 5454 4764 0.51_155.01 2167 2212 2610 2445 2269 2520 2389 2549 2568 2686 2187 2530 2228 2551 2074 2497 4158 0.52_151.03 3400 2335 14783 2548 3149 4137 2226 2724 2594 4020 3585 2042 2322 2871 5295 4352 12533 5064 11350 5452 5307 19059 6443 6555 40977 0.58_127.00 15308 15676 14789 15121 16997 13298 17834 14350 14060 17787 15712 16861 20932 19166 20943 21965 25685 16671 17715 19868 18144 20965 20326 19481 21642 25423 22561 27296 44031 39478 0.58_223.02 4173 5400 4615 4413 5133 6740 4607 4550 5830 4504 5430 8385 6874 7609 9128 12893 5861 5383 7284 6700 8662 8381 8005 8506 12128 10556 16597 54138 107308 0.58_305.02 2102 3065 2471 2670 3697 6384 2624 2154 3097 3098 2997 3525 5697 4187 8429 46189 180907 0.59_209.01 2444 2422 2753 3211 2354 2305 2362 2156 2814 3196 2556 4452 9021 8760 0.60_359.21 4255 2642 4633 3133 3970 3027 2966 3235 3010 5573 3431 3401 2794 3556 3837 3244 2747 3312 2960 0.63_191.07 5721 7672 5079 5449 4093 4826 5880 4942 4629 5258 5787 6084 5085 7349 6675 5420 6690 5094 5684 5728 4812 6681 6133 5195 6402 5739 4735 7942 9049 0.74_265.15 7223 13807 2295 7650 8299 12826 3889 5307 4620 3138 2530 6301 5498 2956 5978 10108 5553 5186 2933 4676 18182 12895 16121 15958 10670 14995 39645 15233 15361 8717 0.75_297.15 10960 9591 9216 4431 5485 6245 3733 5467 7786 3133 7251 11761 9986 11325 25820 10275 30606 20885 6993 37207 4983 7029 5231 5803 6149 11756 12199 10451 56321 9816 0.84_311.17 49303 44555 34169 19059 21083 28727 15471 26773 39980 13412 24221 36584 32269 34622 70853 35016 105243 61101 20625 113970 20117 28077 22297 22269 27399 47224 62222 48486 300947 30979 0.84_313.17 2941 2933 2451 2013 2582 2348 2206 4765 2410 6843 3802 6841 3146 3830 3294 16323 2145 0.88_295.23 16089 9100 104928 9032 192515 173650 15110 235435 106465 24346 98226 8720 0.92_325.18 32031 44651 21403 12803 14241 22407 9891 25494 28269 10229 15009 16877 16580 16366 24208 16661 34049 27105 12512 40782 17928 12803 11538 10297 23360 23519 46700 21049 157041 18733 1.16_339.20 13177 13131 7738 7537 6566 9141 5687 26839 25776 4046 6306 7957 7129 9481 10405 11997 13212 13705 4788 11307 6237 9599 7490 7847 7439 15722 16843 14910 47022 14022 1.22_297.24 2129 2609 2077 2589 2037 3051 9197 6571 2155 8920 3463 2179 5254 2170 1.36_473.28 6778 5533 5653 10985 10618 3644 10382 5903 3570 3988 4762 5777 4860 4993 6076 8358 11284 4413 3210 7588 6229 5127 9893 12940 4324 15488 8153 29776 6987 6232 1.39_415.19 9391 4913 2485 3251 7499 5334 4363 2015 2221 2796 6762 3420 2034 3450 3663 2007 2315 2367 2861 2017 1.40_407.16 2575 11780 6551 3325 4646 2725 9444 6205 2340 2751 5886 2838 2636 2876 3137 3775 8476 4272 2813 4692 5149 3023 3094 2833 2600 2550 4137 2730 2212 1.77_327.23 6023 2095 3322 20487 4746 10224 12131 11626 15925 8374 13997 4751 6822 6067 10991 50791 8009 16151 28299 20644 3524 54947 12008 10715 23234 6501 45175 14312 18077 1.99_303.23 26267 12046 18371 216767 15195 7018 31940 74004 33602 36938 32836 96181 30162 19263 33996 70889 236567 35606 57226 148761 70815 16698 191051 228161 62888 170396 71486 168800 115250 195444 2.06_886.08 4950 9283 6527 19442 4634 9563 7947 33909 6715 19572 51565 4515 9659 9695 2.12_279.23 14513 9194 17945 1071779 77427 28063 86339 86422 50393 236552 10604 21347 10923 7577 13454 8615 35598 11649 8318 34269 159205 84999 426935 361806 101640 537160 124471 479357 121562 300325 2.22_329.25 24624 2016 3593 4362 4308 4664 2507 13698 2042 2312 3399 3376 18428 3219 2903 11039 10296 22395 30175 5188 21451 7323 13538 8621 20591 2.43_480.31 2003 4389 6324 2324 4915 3336 2580 2982 12284 4114 5245 9037 8752 2213 13525 31420 7938 16540 8503 13575 9762 11342 2.74_331.26 11491 3710 2059 2122 2357 5446 2130 3110 2092 13821 3414 6274 4301 8300 16516 3643 12838 2711 7699 6049 18666 2.77_613.52 13957 2098 2666 2929 2308 2146 4990 2953 4838 6756 3067 2456 2.77_363.25 23929 2100 2264 2213 3100 2075 4361 2608 2690 6747 2879 6437 9768 3695 7207 2.89_465.30 84199 17968 16950 45537 11897 11235 15037 8417 12590 7036 4588 2629 2461 6139 5062 3542 10052 5821 33599 6647 48600 6776 8445 54620 8223 66595 17429 20769 2.94_415.31 3806 3627 4190 12489 5203 3666 6695 4091 4477 23502 3415 4506 4041 4586 4111 4419 7191 4582 4111 4845 5270 4350 7348 8736 3816 6293 4756 6039 5149 14592 2.95_307.26 10249 2048 2831 3099 2417 3150 8631 8928 8014 2037 9257 3682 10256 3.20_295.27 2560 2122 2264 12275 2484 2330 4084 2463 2131 2100 2042 2518 2277 2471 2585 2320 3899 2464 2374 2410 2450 2703 3881 3560 2628 3521 2840 4009 2847 3278 3.24_711.29 3240 2964 4113 11482 3825 2760 5706 3098 2521 3125 2287 3103 3352 2826 3457 3451 5264 3378 2946 3838 3331 3547 3924 4798 3034 4335 3709 6892 3358 13982 3.36_417.32 6521 7855 7620 46577 13684 17535 12859 9072 7493 22780 8165 8659 8900 10019 6274 8283 16975 5501 11546 7004 9303 10061 9383 15514 9284 15885 7523 19746 10145 10088 3.51_405.23 2064 3187 3423 3178 2443 5551 3148 2312 2350 2306 2611 2873 5226 3297 2222 3263 3201 2810 3687 2548 2247 2996 3383 2836 2180 3.71_657.47 2217 2427 11794 2274 8878 2350 31906 14896 2356 2139 2355 2409 2244 2665 2549 2336 24239 2448 2256 2561 2380 2538 2915 2641 2682 2687 2355 2543 4.11_857.52 4491 3594 11079 2585 4756 9738 3054 2132 6133 5786 2380 2586 4684 8985 2342 4843 5343 7641 2298 13455 5199 2551 19843 2731 17262 6821 4192 4.15_1259.74 2154 2073 2822 2136 4093 2235 2249 2615 2332 2234 3521 2554 2095 3029 2318 4285 2413 4.24_859.54 3400 2831 3110 2147 2061 2011 2288 2070 3497 4592 4636 4962 2990 2933 4.43_573.38 4382 140280 4003 148671 223614 77365 138143 25988 16130 153373 147794 193158 37733 133907 152641 31494 10520 164183 2102 4028 4327 4.44_587.40 4789 191871 4737 205873 330157 102129 190337 31816 19305 215799 200270 272989 46644 177893 211607 37813 12625 2069 236623 2426 4984 4737 4.44_563.35 3276 56911 2491 61785 76407 40943 59707 19245 11505 63648 55055 68416 26072 58794 61746 17400 7370 66943 3094 4084 4.48_909.55 3589 3522 7712 4556 4067 2799 2377 4858 5469 2110 7065 8670 4461 8126 3499 4.55_834.53 8238 2527 3627 8561 6831 2154 13529 6920 5377 13962 3848 5399 6419 6466 4398 5319 8866 4681 5167 5991 6969 3191 10265 2734 7651 3224 12342 4537 2234 4.55_835.53 7822 3641 4806 12779 6198 2415 10262 5721 4415 7941 2987 5797 6645 4321 2925 4342 8062 3857 6170 4692 7852 3267 13543 3110 3774 13080 3707 13742 8869 4454 4.56_1367.75 5848 2888 2758 7119 3027 2028 7073 4181 2317 6143 2568 3560 3659 2934 3066 3009 6450 2894 4442 3992 5029 2665 8422 3468 7691 2583 8154 4649 2217 4.61_885.55 33586 16706 26189 69560 22689 15052 28232 41000 20720 15893 14072 26648 28185 16762 18867 22467 44426 18028 34755 35377 51586 16310 78061 30995 19554 87719 16789 108897 37598 27395 4.66_887.56 5751 2884 4734 5526 3691 2543 4388 6568 3255 2770 2372 4664 4525 3098 2985 3835 6813 3011 5759 5510 6005 2563 7938 4946 5201 2707 7614 5706 4519 4.69_810.53 4440 5122 2302 2740 2624 2786 6219 2648 2817 2191 2314 4396 2454 4268 3548 2761 3176 2596 2897 4168 4.76_786.53 3617 10212 2346 3365 2636 2100 2831 2864 2519 2692 2221 2218 3761 2173 4470 5388 4244 4931 2061 2100 4.96_762.53 16587 7821 9458 52665 16879 9364 15655 13151 9028 15477 8836 11695 15189 10298 12613 11419 19252 13325 16489 14791 15271 5768 20297 26222 21460 14403 23915 19738 17036 5.19_788.54 13525 2392 3682 13869 4429 2072 6099 4528 3478 9075 2467 4789 4542 2992 3298 3565 5985 3088 6021 3839 8476 2311 14781 13512 2184 14021 4668 15210 5848 3873 5.28_734.51 8628 4317 2452 5459 2262 4396 5856 3861 17471 2509 4855 2224 2116 7286 3979 4756 2181 7133 2794 10815 5510 6151 3171 2844 5.37_764.53 11673 4752 6198 18374 5543 3843 7275 8806 6857 5942 2766 6001 5161 3481 3468 4458 7688 3114 8191 6984 13671 3519 16251 5200 16023 3747 17176 10524 7315 5.45_760.59 7836 4024 3744 3038 2838 3642 11470 9044 4861 15114 4330 7699 4664 4243 4321 7052 3052 3728 2322 3792 5277 4655 4682 5951 8336 6078 6825 5742 6212 5.46_736.55 10241 2539 2990 5938 2090 10266 7962 2964 11268 2255 5095 3844 2206 2567 4180 2636 2297 7517 2633 13286 5997 2097 24701 4361 22897 7362 7557 5.55_723.52 11135 5073 6617 4759 4922 3590 9816 11554 6351 10427 3485 7404 9074 5053 4333 5169 10217 6316 9662 7951 18178 4420 22434 8437 31625 4372 24671 16955 15071 5.75_790.54 2991 2809 10483 3428 6211 4872 2880 3334 2867 2501 2300 3446 2682 3518 2885 5814 8378 3139 9990 2052 15355 3306 2132 5.76_804.58 9185 4573 5569 17268 6249 3784 6260 7432 4695 4469 3754 6328 6563 3423 3686 6237 9433 3642 7757 5692 9953 3617 14885 3513 15452 2999 13982 8769 6818 5.76_794.55 2829 3855 2068 2526 2052 2290 2179 2998 2630 2405 3514 3826 3931 3967 2752 3118 5.78_820.57 6004 3194 4093 9989 4641 3297 4130 5084 3519 3303 2513 4713 4958 2604 3266 4445 5521 3032 5554 4298 6583 2701 9384 2413 9356 2405 9142 6087 5143 5.84_582.51 15689 3520 4886 38027 5159 6721 13069 2437 8892 2272 11502 6790 2611 2501 3978 14574 3158 6452 6115 25443 3283 46739 16086 65998 4517 75331 22189 26558 5.85_599.50 5703 3956 4060 5508 3780 2464 4468 6367 2546 7786 2569 7462 4773 3885 2852 3440 7169 3484 4676 5037 7345 3837 6411 8280 4309 6860 4593 7216 7201 9075 5.86_696.49 3827 2156 2192 2497 2046 2325 3107 4746 3683 2272 2037 2107 3362 2344 2953 3864 2959 4287 2947 2293 2756 3822 5734 5.87_575.48 6907 3174 3926 8098 3849 2075 4433 6935 2492 7537 2075 7132 4501 3042 2486 3251 7386 2671 4495 4708 9332 4244 9693 8926 3503 10563 3980 11098 9240 12562 6.08_601.52 2958 2256 3923 5803 3852 5272 4042 2176 3288 2832 4530 2182 5300 2406 9625 2033 7481 6381 5348 6.08_599.54 2738 5273 3780 3803 5031 3043 7462 2933 2955 2146 4134 9950 2033 21487 20447 6421 4349 6.08_584.53 3118 8541 3740 5557 2735 4766 3123 3151 2013 5863 17266 37270 34323 7617 5560 6.44_832.61 7233 3780 5329 14211 5161 3580 6591 8166 3921 3389 3313 5481 6839 2665 3690 4964 7218 3914 8097 6011 9334 3452 13368 2932 14316 3233 17179 6714 6975 6.77_602.53 3157 2062 2558 3436 2442 3244 2341 2546 2106 2450 3390 7344 6743 3467 2628 6.80_601.53 2862 2484 2355 4814 2252 3036 2676 2556 3273 2451 3493 2297 2551 2745 2427 3040 2620 2444 2745 2373 2148 2985 3116 3591 2846 4499 3189 2889 6.81_626.56 2869 2934 2247 3697 2490 2316 2748 3410 3193 3203 2179 2805 2791 2431 2582 2685 3309 2665 2870 2585 2956 2564 2980 2851 4182 3537 4402 3443 3102 6.95_836.64 69747 6221 14870 21856 6761 14603 4975 2935 7152 2867 2782 2694 4148 3299 2586 3079 13288 4375 27369 3073 31202 3755 38708 11748 10282 6.96_860.68 40159 5164 11380 11950 5413 10495 3872 2647 5075 2474 2300 2083 3750 2466 2031 2483 8419 3714 15486 4217 16850 3179 19749 7281 6716 7.00_872.69 5562 14198 2919 2451 3404 3063 2500 2091 3000 4579 9626 5428 5071 5659 4987 3190 7.02_846.67 13420 3947 11901 3484 4597 3325 2546 6012 2184 3828 2810 2742 2912 5369 2637 3485 3634 3365 5142 6002 5790 3216 6733 3871 2921 7.02_491.36 3539 5273 2237 2380 2115 2215 2076 2009 2601 2409 2359 3140 3168 3020 2113 3838 3529 2767 7.03_831.66 2731 7019 2110 2925 2114 4012 2517 2065 3329 2262 2405 3089 3665 2939 2180 3645 2718 7.47_844.69 2748 2037 4052 2924 3778 2140 2809 2163 2268 2574 5441 5099 2129 7.62_888.71 32368 5524 8547 8775 4678 9576 3360 3709 2390 2388 2732 2650 2114 8802 3620 14112 2685 17808 3336 19897 7912 7617 7.63_864.67 47185 6693 11758 12170 5526 12163 4091 2320 4783 2181 3036 2998 3258 3376 2010 2599 2722 12697 4702 18538 5162 24476 4221 28034 9957 11174 7.70_874.70 11534 2061 3561 21569 5870 3634 2846 7250 3222 4106 3805 3207 2724 6846 3711 4136 4777 3617 6324 7576 6462 4018 8539 5255 3819 7.73_680.58 3757 6014 3473 5019 4806 3112 2805 5328 2366 3726 4017 5918 6246 7954 6799 5480 3831 8.09_682.62 6967 3934 2018 4302 8520 3855 3272 2435 2159 2211 5687 5155 2243 8.58_694.64 4398 3047 2128 2044 4139 2005 2685 2308 4554 2061 5971 8289 3473 2936 8.59_808.61 2031 4644 3020 2230 3826 2062 2607 2243 5302 2153 6113 6686 3314 3187 10.73_464.33 2003 2489 4493 2383 2268 2146 2102 2297 2371 2047 2456 2431 2102 2769 2219 2501 3331 2743 3545 2146 3895 2998 3235 11.19_1001.81 2160 4121 3371 2104 3034 2472 2110 2985 2328 2483 2172 3072 2696 2301 2828 2143 2250 3954 2742 6420 4471 2066 4753 4221 3290 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name identifier m/z RT Adducts Ceramide (d34:0) 6.08_574.50 574.4963 6.078 [M+Cl]- Ceramide (d34:1) 5.85_572.48 572.4809 5.848 [M+Cl]- Ceramide (d36:1) 6.56_624.56_6.58_600.51 624.5558_600.5121 6.5695 [M+HAc-H]-_[M+Cl]- Ceramide (d40:0) 8.14_658.59 658.5899 8.14 [M+Cl]- Ceramide (d40:1) 7.94_656.57_7.94_680.62 656.5746_680.6172 7.943 [M+Cl]-_[M+HAc-H]- Ceramide (d40:2) 7.50_654.56 654.5607 7.496 [M+Cl]- Ceramide (d41:1) 8.27_670.59 670.5903 8.273 [M+Cl]- Ceramide (d42:0) 8.75_686.62 686.6204 8.754 [M+Cl]- Ceramide (d42:1) 8.58_708.65_8.58_684.61 708.6488_684.6058 8.58 [M+HAc-H]-_[M+Cl]- FA (12:0) (lauric acid) 1.12_199.17 199.1714 1.124 [M-H]- FA (16:1) (palmitoleic acid) 1.92_253.22 253.2182 1.919 [M-H]- FA (18:1) (oleic acid) 2.77_281.25 281.2494 2.769 [M-H]- FA (18:3) (linolenic acid) 1.65_277.22 277.2178 1.651 [M-H]- FA (20:1) (eicosenoic acid) 3.37_309.28 309.2804 3.375 [M-H]- GlcCer (d40:1) 7.28_818.63 818.6265 7.28 [M+Cl]- PE (34:1) 5.90_716.52 716.5226 5.902 [M-H]- PE (36:2) 6.00_742.54 742.5382 5.995 [M-H]- PE (36:3) 5.44_740.52 740.5235 5.444 [M-H]- PE (36:4) 5.36_738.51 738.5118 5.358 [M-H]- PE (p-34:1) or PE (o-34:2) 6.25_700.53 700.5277 6.246 [M-H]- PE (p-36:1) or PE (o-36:2) 6.92_728.56 728.5589 6.919 [M-H]- PE (p-38:5) or PE (o-38:6) 5.60_724.53_5.61_748.53 724.5266_748.5278 5.598 [M-H]- PE (p-40:6) or PE (o-40:7) 6.05_774.54 774.5434 6.054 [M-H]- PE (p-40:7) or PE (o-40:8) 5.44_772.53 772.5281 5.444 [M-H]- CSH_negESI #113 8.58_711.63 711.6276 8.577 CSH_negESI #586 4.87_836.54 836.5438 4.873 CSH_negESI #628 5.24_734.53 734.5325 5.238 CSH_negESI #631 5.41_746.51 746.5126 5.414 CSH_negESI #668 5.81_736.53 736.5276 5.815 CSH_negESI #713 6.59_744.55 744.5539 6.593 CSH_negESI #743 7.38_859.69 859.6895 7.375 CSH_negESI #770 8.24_702.62 702.6162 8.238 0.50_98.95 0.50_98.95 98.9504 0.495 0.50_137.03 0.50_137.03 137.0324 0.5 0.51_155.01 0.51_155.01 155.0117 0.509 0.52_151.03 0.52_151.03 151.0273 0.523 0.58_127.00 0.58_127.00 127.0022 0.578 0.58_223.02 0.58_223.02 223.0215 0.579 0.58_305.02 0.58_305.02 305.0241 0.58 0.59_209.01 0.59_209.01 209.0055 0.591 0.60_359.21 0.60_359.21 359.2101 0.597 0.63_191.07 0.63_191.07 191.0725 0.626 0.74_265.15 0.74_265.15 265.1489 0.739 0.75_297.15 0.75_297.15 297.1538 0.753 0.84_311.17 0.84_311.17 311.1694 0.837 0.84_313.17 0.84_313.17 313.169 0.84 0.88_295.23 0.88_295.23 295.2285 0.876 0.92_325.18 0.92_325.18 325.185 0.922 1.16_339.20 1.16_339.20 339.2006 1.165 1.22_297.24 1.22_297.24 297.2438 1.218 1.36_473.28 1.36_473.28 473.2824 1.363 1.39_415.19 1.39_415.19 415.1891 1.395 1.40_407.16 1.40_407.16 407.1587 1.4 1.77_327.23 1.77_327.23 327.2336 1.772 1.99_303.23 1.99_303.23 303.2337 1.985 2.06_886.08 2.06_886.08 886.0792 2.062 2.12_279.23 2.12_279.23 279.2339 2.121 2.22_329.25 2.22_329.25 329.2491 2.219 2.43_480.31 2.43_480.31 480.3094 2.433 2.74_331.26 2.74_331.26 331.2647 2.738 2.77_613.52 2.77_613.52 613.5222 2.772 2.77_363.25 2.77_363.25 363.2521 2.772 2.89_465.30 2.89_465.30 465.3047 2.891 2.94_415.31 2.94_415.31 415.3065 2.938 2.95_307.26 2.95_307.26 307.2648 2.952 3.20_295.27 3.20_295.27 295.2651 3.201 3.24_711.29 3.24_711.29 711.2888 3.238 3.36_417.32 3.36_417.32 417.3221 3.365 3.51_405.23 3.51_405.23 405.2327 3.512 3.71_657.47 3.71_657.47 657.4667 3.711 4.11_857.52 4.11_857.52 857.519 4.108 4.15_1259.74 4.15_1259.74 1259.7369 4.147 4.24_859.54 4.24_859.54 859.5352 4.241 4.43_573.38 4.43_573.38 573.3823 4.431 4.44_587.40 4.44_587.40 587.3981 4.435 4.44_563.35 4.44_563.35 563.3536 4.441 4.48_909.55 4.48_909.55 909.5491 4.48 4.55_834.53 4.55_834.53 834.5282 4.547 4.55_835.53 4.55_835.53 835.5329 4.549 4.56_1367.75 4.56_1367.75 1367.7475 4.561 4.61_885.55 4.61_885.55 885.5491 4.61 4.66_887.56 4.66_887.56 887.5629 4.659 4.69_810.53 4.69_810.53 810.5279 4.692 4.76_786.53 4.76_786.53 786.5276 4.762 4.96_762.53 4.96_762.53 762.5281 4.961 5.19_788.54 5.19_788.54 788.5432 5.191 5.28_734.51 5.28_734.51 734.5143 5.281 5.37_764.53 5.37_764.53 764.5257 5.373 5.45_760.59 5.45_760.59 760.5928 5.448 5.46_736.55 5.46_736.55 736.5483 5.457 5.55_723.52 5.55_723.52 723.5154 5.553 5.75_790.54 5.75_790.54 790.5395 5.755 5.76_804.58 5.76_804.58 804.575 5.763 5.76_794.55 5.76_794.55 794.5487 5.763 5.78_820.57 5.78_820.57 820.5717 5.779 5.84_582.51 5.84_582.51 582.5096 5.839 5.85_599.50 5.85_599.50 599.5012 5.853 5.86_696.49 5.86_696.49 696.4876 5.855 5.87_575.48 5.87_575.48 575.4826 5.87 6.08_601.52 6.08_601.52 601.5164 6.076 6.08_599.54 6.08_599.54 599.5417 6.077 6.08_584.53 6.08_584.53 584.5251 6.082 6.44_832.61 6.44_832.61 832.6063 6.443 6.77_602.53 6.77_602.53 602.5279 6.774 6.80_601.53 6.80_601.53 601.5268 6.798 6.81_626.56 6.81_626.56 626.5554 6.806 6.95_836.64 6.95_836.64 836.6378 6.955 6.96_860.68 6.96_860.68 860.679 6.96 7.00_872.69 7.00_872.69 872.6861 7.005 7.02_846.67 7.02_846.67 846.671 7.02 7.02_491.36 7.02_491.36 491.359 7.021 7.03_831.66 7.03_831.66 831.6583 7.033 7.47_844.69 7.47_844.69 844.6855 7.475 7.62_888.71 7.62_888.71 888.7122 7.624 7.63_864.67 7.63_864.67 864.6685 7.628 7.70_874.70 7.70_874.70 874.7029 7.697 7.73_680.58 7.73_680.58 680.5797 7.731 8.09_682.62 8.09_682.62 682.6218 8.087 8.58_694.64 8.58_694.64 694.6351 8.582 8.59_808.61 8.59_808.61 808.6124 8.587 10.73_464.33 10.73_464.33 464.3302 10.728 11.19_1001.81 11.19_1001.81 1001.8052 11.189 METABOLITES_END #END