#METABOLOMICS WORKBENCH sbhattacharya_20200309_125558 DATATRACK_ID:1938 STUDY_ID:ST001327 ANALYSIS_ID:AN002210 VERSION 1 CREATED_ON 02-08-2024 #PROJECT PR:PROJECT_TITLE Mitochondrial Lipid Profiles in Traumatic Optic Neuropathy PR:PROJECT_SUMMARY C57Bl/6J Mice were exposed to sonication to induce a traumatic optic neuropathy PR:PROJECT_SUMMARY model. Optic nerves were harvested and mitochondrial isolation was performed. PR:PROJECT_SUMMARY Lipids were then extracted from isolated mitochondria. Mass spectrometry was PR:PROJECT_SUMMARY used to analyze mitochondrial lipids. PR:INSTITUTE University of Miami PR:DEPARTMENT Bascom Palmer Eye Institute PR:LAST_NAME Bhattacharya PR:FIRST_NAME Sanjoy K PR:ADDRESS 1638 NW 10th Avenue, Suite 707A University of Miami Miami, FL, 33136 PR:EMAIL SBhattacharya@med.miami.edu PR:PHONE 305-482-4103 PR:DOI http://dx.doi.org/10.21228/M8Q69W #STUDY ST:STUDY_TITLE Mitochondrial Lipid Profiles in Traumatic Optic Neuropathy ST:STUDY_SUMMARY C57Bl/6J Mice were exposed to sonication to induce a traumatic optic neuropathy ST:STUDY_SUMMARY model. Optic nerves were harvested and mitochondrial isolation was performed. ST:STUDY_SUMMARY Lipids were then extracted from isolated mitochondria. Mass spectrometry was ST:STUDY_SUMMARY used to analyze mitochondrial lipids. ST:INSTITUTE University of Miami ST:DEPARTMENT Ophthalmology, Bascom Palmer Eye Institute ST:LAST_NAME Bhattacharya ST:FIRST_NAME Sanjoy K ST:ADDRESS 1638 NW 10th Avenue, Suite 707A University of Miami Miami, FL, 33136 ST:EMAIL SBhattacharya@med.miami.edu ST:PHONE 305-482-4103 ST:SUBMIT_DATE 2020-03-09 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENOTYPE_STRAIN C57BL/6J SU:AGE_OR_AGE_RANGE 2 Months SU:GENDER Male and female #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - C5 Exposure:No Exposure | Days Post Exposure:Control | Sex:F RAW_FILE_NAME=5_neg 5_neg2 5_Pos 5_Pos2 SUBJECT_SAMPLE_FACTORS - C6 Exposure:No Exposure | Days Post Exposure:Control | Sex:F RAW_FILE_NAME=6_neg 6_neg2 6_Pos 6_Pos2 SUBJECT_SAMPLE_FACTORS - C7 Exposure:No Exposure | Days Post Exposure:Control | Sex:F RAW_FILE_NAME=7_neg 7_neg2 7_Pos 7_Pos2 SUBJECT_SAMPLE_FACTORS - C8 Exposure:No Exposure | Days Post Exposure:Control | Sex:F RAW_FILE_NAME=8_neg 8_neg2 8_Pos 8_Pos2 SUBJECT_SAMPLE_FACTORS - C1 Exposure:No Exposure | Days Post Exposure:Control | Sex:M RAW_FILE_NAME=1_neg 1_neg2 1_Pos 1_Pos2 SUBJECT_SAMPLE_FACTORS - C2 Exposure:No Exposure | Days Post Exposure:Control | Sex:M RAW_FILE_NAME=2_neg 2_neg2 2_Pos 2_Pos2 SUBJECT_SAMPLE_FACTORS - C3 Exposure:No Exposure | Days Post Exposure:Control | Sex:M RAW_FILE_NAME=3_neg 3_neg2 3_Pos 3_Pos2 SUBJECT_SAMPLE_FACTORS - C4 Exposure:No Exposure | Days Post Exposure:Control | Sex:M RAW_FILE_NAME=4_neg 4_neg2 4_Pos 4_Pos2 SUBJECT_SAMPLE_FACTORS - D14_1 Exposure:Sonication | Days Post Exposure:Day Fourteen | Sex:F RAW_FILE_NAME=25_neg 25_neg2 25_Pos 25_Pos2 SUBJECT_SAMPLE_FACTORS - D14_2 Exposure:Sonication | Days Post Exposure:Day Fourteen | Sex:F RAW_FILE_NAME=26_neg 26_neg2 26_Pos 26_Pos2 SUBJECT_SAMPLE_FACTORS - D14_3 Exposure:Sonication | Days Post Exposure:Day Fourteen | Sex:F RAW_FILE_NAME=27_neg 27_neg2 27_Pos 27_Pos_20191217115221 SUBJECT_SAMPLE_FACTORS - D14_4 Exposure:Sonication | Days Post Exposure:Day Fourteen | Sex:F RAW_FILE_NAME=28_neg 28_neg2 28_Pos 28_Pos2 SUBJECT_SAMPLE_FACTORS - D14_5 Exposure:Sonication | Days Post Exposure:Day Fourteen | Sex:M RAW_FILE_NAME=29_neg 29_neg2 29_Pos 29_Pos2 SUBJECT_SAMPLE_FACTORS - D14_6 Exposure:Sonication | Days Post Exposure:Day Fourteen | Sex:M RAW_FILE_NAME=30_neg 30_neg2 30_Pos 30_Pos2 SUBJECT_SAMPLE_FACTORS - D14_7 Exposure:Sonication | Days Post Exposure:Day Fourteen | Sex:M RAW_FILE_NAME=31_neg 31_neg2 31_Pos 31_Pos2 SUBJECT_SAMPLE_FACTORS - D14_8 Exposure:Sonication | Days Post Exposure:Day Fourteen | Sex:M RAW_FILE_NAME=32_neg 32_neg2 32_Pos 32_Pos2 SUBJECT_SAMPLE_FACTORS - D1_5 Exposure:Sonication | Days Post Exposure:Day One | Sex:F RAW_FILE_NAME=13_neg 13_neg2 13_Pos 13_Pos2 SUBJECT_SAMPLE_FACTORS - D1_6 Exposure:Sonication | Days Post Exposure:Day One | Sex:F RAW_FILE_NAME=14_neg 14_neg2 14_Pos 14_Pos2 SUBJECT_SAMPLE_FACTORS - D1_7 Exposure:Sonication | Days Post Exposure:Day One | Sex:F RAW_FILE_NAME=15_neg 15_neg2 15_Pos 15_Pos2 SUBJECT_SAMPLE_FACTORS - D1_8 Exposure:Sonication | Days Post Exposure:Day One | Sex:F RAW_FILE_NAME=16_neg 16_neg2 16_Pos 16_Pos2 SUBJECT_SAMPLE_FACTORS - D1_1 Exposure:Sonication | Days Post Exposure:Day One | Sex:M RAW_FILE_NAME=9_neg 9_neg2 9_Pos 9_Pos2 SUBJECT_SAMPLE_FACTORS - D1_2 Exposure:Sonication | Days Post Exposure:Day One | Sex:M RAW_FILE_NAME=10_neg 10_neg2 10_Pos 10_Pos2 SUBJECT_SAMPLE_FACTORS - D1_3 Exposure:Sonication | Days Post Exposure:Day One | Sex:M RAW_FILE_NAME=11_neg 11_neg2 11_Pos 11_Pos2 SUBJECT_SAMPLE_FACTORS - D1_4 Exposure:Sonication | Days Post Exposure:Day One | Sex:M RAW_FILE_NAME=12_neg 12_neg2 12_Pos 12_Pos2 SUBJECT_SAMPLE_FACTORS - D7_1 Exposure:Sonication | Days Post Exposure:Day Seven | Sex:F RAW_FILE_NAME=17_neg 17_neg2 17_Pos 17_Pos2 SUBJECT_SAMPLE_FACTORS - D7_2 Exposure:Sonication | Days Post Exposure:Day Seven | Sex:F RAW_FILE_NAME=18_neg 18_neg2 18_Pos 18_Pos2 SUBJECT_SAMPLE_FACTORS - D7_3 Exposure:Sonication | Days Post Exposure:Day Seven | Sex:F RAW_FILE_NAME=19_neg 19_neg2 19_Pos 19_Pos2 SUBJECT_SAMPLE_FACTORS - D7_4 Exposure:Sonication | Days Post Exposure:Day Seven | Sex:F RAW_FILE_NAME=20_neg 20_neg2 20_Pos 20_Pos2 SUBJECT_SAMPLE_FACTORS - D7_5 Exposure:Sonication | Days Post Exposure:Day Seven | Sex:M RAW_FILE_NAME=21_neg 21_neg2 21_Pos 21_Pos2 SUBJECT_SAMPLE_FACTORS - D7_6 Exposure:Sonication | Days Post Exposure:Day Seven | Sex:M RAW_FILE_NAME=22_neg 22_neg2 22_Pos 22_Pos2 SUBJECT_SAMPLE_FACTORS - D7_7 Exposure:Sonication | Days Post Exposure:Day Seven | Sex:M RAW_FILE_NAME=23_neg 23_neg2 23_Pos 23_Pos2 SUBJECT_SAMPLE_FACTORS - D7_8 Exposure:Sonication | Days Post Exposure:Day Seven | Sex:M RAW_FILE_NAME=24_neg 24_neg2 24_Pos 24_Pos2 #COLLECTION CO:COLLECTION_SUMMARY 2 month old mice were exposed to sonication-induced trauma. Optic nerves were CO:COLLECTION_SUMMARY dissected from optic nerve head to optic chiasm. CO:SAMPLE_TYPE Neurons #TREATMENT TR:TREATMENT_SUMMARY 4 groups of 8 mice, 4 males and 4 females per group. Control group was TR:TREATMENT_SUMMARY euthanized at 2 months. Other three groups were exposed to sonication to induce TR:TREATMENT_SUMMARY traumatic optic neuropathy. Then groups were euthanized at one day, seven days, TR:TREATMENT_SUMMARY and fourteen days, respectively. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Samples were homogenized and mitochondria were isolated. Lipids were extracted SP:SAMPLEPREP_SUMMARY using butanol/methanol lipid extraction and run through mass spectrometer. #CHROMATOGRAPHY CH:INSTRUMENT_NAME Thermo Accela 600 CH:COLUMN_NAME Thermo Acclaim C18 (150 x 2.1mm,3m) CH:CHROMATOGRAPHY_TYPE Reversed phase #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:MS_COMMENTS HESI operated at a spray voltage of 4.4 kV, capillary temperature of 329.60 MS:MS_COMMENTS Celsius, sheath gas flow rate of 45.30, and an auxillary gas flow of 14.73. The MS:MS_COMMENTS scan range was set at 150-1500 m/z. MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Main area MS_METABOLITE_DATA_START Samples C5 C6 C7 C8 C1 C2 C3 C4 D14_1 D14_2 D14_3 D14_4 D14_5 D14_6 D14_7 D14_8 D1_5 D1_6 D1_7 D1_8 D1_1 D1_2 D1_3 D1_4 D7_1 D7_2 D7_3 D7_4 D7_5 D7_6 D7_7 D7_8 Factors Exposure:No Exposure | Days Post Exposure:Control | Sex:F Exposure:No Exposure | Days Post Exposure:Control | Sex:F Exposure:No Exposure | Days Post Exposure:Control | Sex:F Exposure:No Exposure | Days Post Exposure:Control | Sex:F Exposure:No Exposure | Days Post Exposure:Control | Sex:M Exposure:No Exposure | Days Post Exposure:Control | Sex:M Exposure:No Exposure | Days Post Exposure:Control | Sex:M Exposure:No Exposure | Days Post Exposure:Control | Sex:M Exposure:Sonication | Days Post Exposure:Day Fourteen | Sex:F Exposure:Sonication | Days Post Exposure:Day Fourteen | Sex:F Exposure:Sonication | Days Post Exposure:Day Fourteen | Sex:F Exposure:Sonication | Days Post Exposure:Day Fourteen | Sex:F Exposure:Sonication | Days Post Exposure:Day Fourteen | Sex:M Exposure:Sonication | Days Post Exposure:Day Fourteen | Sex:M Exposure:Sonication | Days Post Exposure:Day Fourteen | Sex:M Exposure:Sonication | Days Post Exposure:Day Fourteen | Sex:M Exposure:Sonication | Days Post Exposure:Day One | Sex:F Exposure:Sonication | Days Post Exposure:Day One | Sex:F Exposure:Sonication | Days Post Exposure:Day One | Sex:F Exposure:Sonication | Days Post Exposure:Day One | Sex:F Exposure:Sonication | Days Post Exposure:Day One | Sex:M Exposure:Sonication | Days Post Exposure:Day One | Sex:M Exposure:Sonication | Days Post Exposure:Day One | Sex:M Exposure:Sonication | Days Post Exposure:Day One | Sex:M Exposure:Sonication | Days Post Exposure:Day Seven | Sex:F Exposure:Sonication | Days Post Exposure:Day Seven | Sex:F Exposure:Sonication | Days Post Exposure:Day Seven | Sex:F Exposure:Sonication | Days Post Exposure:Day Seven | Sex:F Exposure:Sonication | Days Post Exposure:Day Seven | Sex:M Exposure:Sonication | Days Post Exposure:Day Seven | Sex:M Exposure:Sonication | Days Post Exposure:Day Seven | Sex:M Exposure:Sonication | Days Post Exposure:Day Seven | Sex:M BisMePA(18:2p/20:1) 242000.0000 437000.0000 393000.0000 439000.0000 10700000.0000 711000.0000 319000.0000 326000.0000 20300.0000 366000.0000 1320000.0000 195000.0000 12000.0000 28300.0000 19800.0000 46300.0000 1130000.0000 1690000.0000 429000.0000 301000.0000 150000.0000 617000.0000 339000.0000 810000.0000 133000.0000 19800.0000 86900.0000 112000.0000 18200.0000 73700.0000 189000.0000 57900.0000 CerG1(d18:0+pO/22:1) 160000.0000 1270000.0000 509000.0000 708000.0000 3490000.0000 82100.0000 80400.0000 2760000.0000 559000.0000 624000.0000 2140000.0000 1620000.0000 1860000.0000 2190000.0000 3890000.0000 2030000.0000 1460000.0000 233000.0000 427000.0000 821000.0000 488000.0000 835000.0000 772000.0000 78000.0000 456000.0000 2640000.0000 978000.0000 627000.0000 1560000.0000 900000.0000 1100000.0000 746000.0000 CerG1(d18:0+pO/24:1) 248000.0000 2190000.0000 996000.0000 1720000.0000 8400000.0000 1110000.0000 438000.0000 5600000.0000 1340000.0000 1360000.0000 3740000.0000 1180000.0000 1310000.0000 3640000.0000 2770000.0000 1750000.0000 3090000.0000 405000.0000 1300000.0000 1460000.0000 856000.0000 1600000.0000 1520000.0000 1010000.0000 1160000.0000 5420000.0000 1860000.0000 1360000.0000 3150000.0000 1700000.0000 2170000.0000 2510000.0000 CerG1(d18:1/22:0+O) 533000.0000 959000.0000 849000.0000 1020000.0000 11800000.0000 766000.0000 497000.0000 528000.0000 1040000.0000 908000.0000 2480000.0000 519000.0000 3200000.0000 4690000.0000 748000.0000 223000.0000 312000.0000 1230000.0000 825000.0000 2150000.0000 24300.0000 19600.0000 73900.0000 116000.0000 67400.0000 53400.0000 488000.0000 669000.0000 CerG1(d18:1/22:1) 356000.0000 1290000.0000 734000.0000 928000.0000 8320000.0000 682000.0000 317000.0000 2130000.0000 879000.0000 912000.0000 2690000.0000 1200000.0000 1200000.0000 1760000.0000 2480000.0000 1300000.0000 2290000.0000 2290000.0000 601000.0000 649000.0000 455000.0000 1070000.0000 911000.0000 1300000.0000 401000.0000 1870000.0000 709000.0000 469000.0000 1010000.0000 642000.0000 1040000.0000 881000.0000 CerG1(d18:1/24:1) 238000.0000 1700000.0000 705000.0000 1240000.0000 4730000.0000 749000.0000 289000.0000 4130000.0000 954000.0000 1110000.0000 3020000.0000 1390000.0000 1940000.0000 2900000.0000 4370000.0000 2370000.0000 2330000.0000 370000.0000 902000.0000 1090000.0000 703000.0000 1320000.0000 1070000.0000 736000.0000 864000.0000 3490000.0000 1400000.0000 935000.0000 2100000.0000 1520000.0000 1610000.0000 1970000.0000 CerG1(d18:1/24:2) 175000.0000 386000.0000 263000.0000 510000.0000 6300000.0000 357000.0000 211000.0000 270000.0000 375000.0000 288000.0000 883000.0000 113000.0000 65600.0000 129000.0000 66500.0000 65600.0000 1450000.0000 2090000.0000 123000.0000 58600.0000 101000.0000 394000.0000 335000.0000 899000.0000 92400.0000 976000.0000 23100.0000 26800.0000 22900.0000 64200.0000 201000.0000 60700.0000 CerG1(d40:0+pO+O) 533000.0000 959000.0000 849000.0000 1020000.0000 11800000.0000 766000.0000 497000.0000 528000.0000 1040000.0000 908000.0000 2480000.0000 519000.0000 3200000.0000 4690000.0000 748000.0000 223000.0000 312000.0000 1230000.0000 825000.0000 2150000.0000 24300.0000 19600.0000 73900.0000 116000.0000 67400.0000 53400.0000 488000.0000 669000.0000 CerG1(d42:1+pO) 853000.0000 1080000.0000 971000.0000 1070000.0000 14400000.0000 1290000.0000 594000.0000 754000.0000 1010000.0000 973.0000 2700000.0000 3820.0000 3710000.0000 4370000.0000 563000.0000 249000.0000 277000.0000 1010000.0000 1020000.0000 2310000.0000 147000.0000 26600.0000 116000.0000 123000.0000 265.0000 535000.0000 672000.0000 dMePE(34:2p) LPC(16:0) 16100000.0000 15300000.0000 17600000.0000 15200000.0000 16700000.0000 21900000.0000 16700000.0000 12800000.0000 11800000.0000 13900000.0000 12100000.0000 9290000.0000 12000000.0000 15900000.0000 15700000.0000 9350000.0000 20300000.0000 17700000.0000 20800000.0000 5710000.0000 9350000.0000 24000000.0000 13700000.0000 21100000.0000 19300000.0000 16000000.0000 11700000.0000 8790000.0000 9050000.0000 10300000.0000 12700000.0000 10700000.0000 LPC(18:0) 28100.0000 12500.0000 11700.0000 12200.0000 201000.0000 15900.0000 3110.0000 17600.0000 16000.0000 19800.0000 16900.0000 10600.0000 3210.0000 1660.0000 4160.0000 7710.0000 13300.0000 8840.0000 19300.0000 1840000.0000 3790.0000 14600.0000 8260.0000 14500.0000 26000.0000 24500.0000 10200.0000 7840.0000 21000.0000 7400.0000 17800.0000 21500.0000 LPC(18:1) 121000.0000 32800.0000 225000.0000 20700.0000 313000.0000 76400.0000 18300.0000 123000.0000 38900.0000 41100.0000 23600.0000 60400.0000 7480.0000 34800.0000 28300.0000 38000.0000 207000.0000 226000.0000 288000.0000 917000.0000 66200.0000 71800.0000 20900.0000 102000.0000 45300.0000 72400.0000 164000.0000 61300.0000 44600.0000 17400.0000 92800.0000 129000.0000 LPC(18:2) 5690.0000 28700.0000 20100.0000 26400.0000 125000.0000 67300.0000 42500.0000 116000.0000 96700.0000 24000.0000 28200.0000 85300.0000 71400.0000 106000.0000 27000.0000 39700.0000 103000.0000 35200.0000 87500.0000 2380000.0000 9040.0000 167000.0000 185000.0000 127000.0000 17200.0000 19300.0000 42200.0000 81700.0000 36900.0000 9220.0000 66500.0000 24200.0000 LPC(20:4) 5.1800 101000.0000 116.0000 87.7000 106.0000 13.0000 3.1500 135.0000 637000.0000 56.8000 138.0000 84.2000 24.0000 PA(16:0/18:1) PA(18:0/18:1) PC(16:0/18:1) PC(18:0/18:1) PC(32:0) 414000.0000 699000.0000 952000.0000 774000.0000 8880000.0000 938000.0000 414000.0000 380000.0000 811000.0000 748000.0000 3190000.0000 613000.0000 16000.0000 27700.0000 18800.0000 7290.0000 3210000.0000 4370000.0000 510000.0000 104000.0000 272000.0000 786000.0000 661000.0000 1970000.0000 47500.0000 50200.0000 39100.0000 23200.0000 55400.0000 6660.0000 30600.0000 705000.0000 PC(34:1) 1220000.0000 3500000.0000 2080000.0000 2660000.0000 22300000.0000 2480000.0000 1100000.0000 5650000.0000 1840000.0000 2210000.0000 7340000.0000 3110000.0000 2650000.0000 6450000.0000 6160000.0000 3250000.0000 6480000.0000 5550000.0000 1220000.0000 1950000.0000 1160000.0000 2950000.0000 2440000.0000 2960000.0000 1170000.0000 5770000.0000 2060000.0000 1440000.0000 2810000.0000 1890000.0000 2630000.0000 2580000.0000 PC(36:1) 1240000.0000 4730000.0000 2420000.0000 3010000.0000 18400000.0000 2630000.0000 1550000.0000 7630000.0000 2470000.0000 2950000.0000 7880000.0000 4620000.0000 4610000.0000 3950000.0000 8600000.0000 4990000.0000 7260000.0000 6330000.0000 2220000.0000 2940000.0000 1890000.0000 3430000.0000 3010000.0000 3410000.0000 1540000.0000 10900000.0000 2490000.0000 1470000.0000 2670000.0000 2040000.0000 2860000.0000 3020000.0000 PE(18:0/18:1) 139000.0000 1190000.0000 341000.0000 577000.0000 2490000.0000 333000.0000 165000.0000 1980000.0000 479000.0000 579000.0000 1930000.0000 21800.0000 5160.0000 4600.0000 29500.0000 7940.0000 1110000.0000 178000.0000 300000.0000 680000.0000 337000.0000 694000.0000 622000.0000 342000.0000 691000.0000 2440000.0000 819000.0000 490000.0000 1360000.0000 6330.0000 970000.0000 621000.0000 PE(18:0p/18:1) 351000.0000 434000.0000 1070000.0000 555000.0000 10700000.0000 811000.0000 312000.0000 655000.0000 942000.0000 783000.0000 2420000.0000 470000.0000 67300.0000 54300.0000 119000.0000 67600.0000 1940000.0000 2030000.0000 333000.0000 214000.0000 263000.0000 840000.0000 448000.0000 896000.0000 123000.0000 797000.0000 52300.0000 33600.0000 121000.0000 14000.0000 374000.0000 672000.0000 PE(18:0p/20:1) 216000.0000 443000.0000 363000.0000 758000.0000 11600000.0000 770000.0000 392000.0000 332000.0000 794000.0000 765000.0000 2630000.0000 349000.0000 30600.0000 72600.0000 66500.0000 71500.0000 1410000.0000 1820000.0000 308000.0000 279000.0000 90300.0000 430000.0000 332000.0000 894000.0000 727000.0000 2220000.0000 896000.0000 404000.0000 1070000.0000 168000.0000 194000.0000 283000.0000 PE(18:1p/18:1) 284000.0000 295000.0000 294000.0000 351000.0000 9550000.0000 634000.0000 247000.0000 162000.0000 550000.0000 505000.0000 1490000.0000 281000.0000 9080.0000 958000.0000 1300000.0000 204000.0000 52600.0000 110000.0000 690000.0000 297000.0000 585000.0000 13300.0000 42800.0000 12500.0000 192000.0000 320000.0000 PEt(16:0/18:1) PS(18:0/18:1) 336000.0000 934000.0000 620000.0000 480000.0000 12700000.0000 716000.0000 449000.0000 965000.0000 363000.0000 559000.0000 994000.0000 370000.0000 723000.0000 872000.0000 1530000.0000 203000.0000 479000.0000 431000.0000 1190000.0000 353000.0000 292000.0000 587000.0000 312000.0000 611000.0000 658000.0000 1210000.0000 382000.0000 367000.0000 502000.0000 576000.0000 585000.0000 466000.0000 PS(18:0/20:1) 189000.0000 384000.0000 652000.0000 697000.0000 20400000.0000 1100000.0000 1420000.0000 411000.0000 340000.0000 463000.0000 923000.0000 207000.0000 541000.0000 258000.0000 1120000.0000 103000.0000 1350000.0000 936000.0000 1130000.0000 243000.0000 194000.0000 733000.0000 952000.0000 937000.0000 653000.0000 444000.0000 613000.0000 723000.0000 259000.0000 159000.0000 519000.0000 555000.0000 SM(d42:2) 160000.0000 323000.0000 344000.0000 277000.0000 6430000.0000 655000.0000 181000.0000 150000.0000 337000.0000 674000.0000 1150000.0000 373000.0000 176000.0000 367000.0000 242000.0000 1390000.0000 1490000.0000 116000.0000 286000.0000 71900.0000 379000.0000 474000.0000 578000.0000 27100.0000 1890000.0000 20700.0000 10900.0000 11200.0000 23700.0000 205000.0000 396000.0000 TG(16:0/16:0/18:1) 2420000.0000 2560000.0000 2920000.0000 2910000.0000 83600000.0000 30900000.0000 2820000.0000 2140000.0000 1980000.0000 995000.0000 1080000.0000 23700.0000 2080000.0000 2420000.0000 1370000.0000 120000.0000 2970000.0000 3830000.0000 14200.0000 1540000.0000 4130000.0000 2320000.0000 3680000.0000 2920000.0000 2730000.0000 27200.0000 1200000.0000 686000.0000 628000.0000 1830000.0000 TG(16:0/18:1/18:1) 5920000.0000 5050000.0000 6600000.0000 5450000.0000 113000000.0000 33900000.0000 3690000.0000 4470000.0000 4130000.0000 3630000.0000 3690000.0000 2480000.0000 3590000.0000 4490000.0000 4670000.0000 2970000.0000 9910000.0000 6090000.0000 7830000.0000 3750000.0000 3260000.0000 8300000.0000 4760000.0000 7410000.0000 6630000.0000 5040000.0000 4270000.0000 2950000.0000 2800000.0000 1360000.0000 2840000.0000 3650000.0000 TG(16:0/18:1/18:2) 3380000.0000 2580000.0000 3050000.0000 3820000.0000 73100000.0000 29500000.0000 3660000.0000 2960000.0000 3100000.0000 3280000.0000 3030000.0000 579000.0000 1550000.0000 291000.0000 674000.0000 277000.0000 13200000.0000 4400000.0000 5260000.0000 2610000.0000 2560000.0000 6260000.0000 3440000.0000 6330000.0000 4910000.0000 4000000.0000 3360000.0000 2290000.0000 2250000.0000 2400000.0000 2900000.0000 2550000.0000 TG(18:0/16:0/18:1) 2200000.0000 2120000.0000 2470000.0000 1780000.0000 13900000.0000 12800000.0000 2050000.0000 1330000.0000 1070000.0000 729000.0000 993000.0000 718000.0000 259000.0000 1400000.0000 1740000.0000 201000.0000 798000.0000 828000.0000 1630000.0000 518000.0000 393000.0000 3700000.0000 590000.0000 1830000.0000 804000.0000 624000.0000 497000.0000 395000.0000 482000.0000 821000.0000 1470000.0000 494000.0000 TG(18:1/18:1/18:1) 7700000.0000 7140000.0000 8470000.0000 6830000.0000 176000000.0000 46200000.0000 7220000.0000 5360000.0000 4930000.0000 1340000.0000 1880000.0000 1280000.0000 4690000.0000 5820000.0000 4950000.0000 3210000.0000 9580000.0000 6240000.0000 8550000.0000 3700000.0000 3480000.0000 9160000.0000 5410000.0000 8480000.0000 5940000.0000 5170000.0000 4420000.0000 2550000.0000 2200000.0000 1420000.0000 1400000.0000 4050000.0000 TG(18:1/18:1/18:2) 4430000.0000 4560000.0000 5890000.0000 4320000.0000 61800000.0000 22100000.0000 4340000.0000 3520000.0000 4030000.0000 4040000.0000 3550000.0000 2420000.0000 2890000.0000 2080000.0000 2840000.0000 516000.0000 10900000.0000 6480000.0000 7760000.0000 3710000.0000 3240000.0000 8000000.0000 4840000.0000 7520000.0000 5860000.0000 4770000.0000 4000000.0000 2850000.0000 2710000.0000 2590000.0000 29200.0000 3680000.0000 TG(18:1/18:2/18:2) 1800000.0000 1690000.0000 2090000.0000 1100000.0000 10000000.0000 3710000.0000 1800000.0000 2150000.0000 28100.0000 27300.0000 193000.0000 92300.0000 61000.0000 28100.0000 91200.0000 1780000.0000 1580000.0000 30700.0000 24900.0000 1340000.0000 832000.0000 1490000.0000 55900.0000 480000.0000 417000.0000 17400.0000 5680.0000 21300.0000 22500.0000 956000.0000 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant BisMePA(18:2p/20:1) CerG1(d18:0+pO/22:1) CerG1(d18:0+pO/24:1) CerG1(d18:1/22:0+O) CerG1(d18:1/22:1) CerG1(d18:1/24:1) CerG1(d18:1/24:2) CerG1(d40:0+pO+O) CerG1(d42:1+pO) dMePE(34:2p) LPC(16:0) LPC(18:0) LPC(18:1) LPC(18:2) LPC(20:4) PA(16:0/18:1) PA(18:0/18:1) PC(16:0/18:1) PC(18:0/18:1) PC(32:0) PC(34:1) PC(36:1) PE(18:0/18:1) PE(18:0p/18:1) PE(18:0p/20:1) PE(18:1p/18:1) PEt(16:0/18:1) PS(18:0/18:1) PS(18:0/20:1) SM(d42:2) TG(16:0/16:0/18:1) TG(16:0/18:1/18:1) TG(16:0/18:1/18:2) TG(18:0/16:0/18:1) TG(18:1/18:1/18:1) TG(18:1/18:1/18:2) TG(18:1/18:2/18:2) METABOLITES_END #END