#METABOLOMICS WORKBENCH araskind_20170619_112108 DATATRACK_ID:996 STUDY_ID:ST000699 ANALYSIS_ID:AN001086 PROJECT_ID:PR000496 VERSION 1 CREATED_ON July 1, 2017, 4:55 pm #PROJECT PR:PROJECT_TITLE Comparative Vitreous Analysis PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY Human vitreous collected in OR PR:INSTITUTE University of Michigan PR:DEPARTMENT Ophthalmology PR:LABORATORY Gardner PR:LAST_NAME Gardner PR:FIRST_NAME Thomas PR:ADDRESS Ann Arbor, MI PR:EMAIL tomwgard@umich.edu PR:PHONE 734-232-8283 #STUDY ST:STUDY_TITLE Human vitreous amino acid & lipid analysis ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY Human vitreous was collected in the OR at time of indicated surgery. No ST:STUDY_SUMMARY treatments were involved. Diagnoses are: epiretinal membranes (ERM); ST:STUDY_SUMMARY proliferative diabetic retinopathy (PDR); retinal detachment (RD) ST:INSTITUTE University of Michigan ST:DEPARTMENT Biomedical Research Core Facilities ST:LABORATORY Metabolomics core ST:LAST_NAME Kachman ST:FIRST_NAME Maureen ST:ADDRESS 6300 Brehm Tower, 1000 Wall Street, Ann Arbor, MI 48105-5714 ST:EMAIL mkachman@med.umich.edu ST:PHONE (734) 232-8175 ST:NUM_GROUPS 3 ST:TOTAL_SUBJECTS 3 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS SU0012423 S00018821 Diagnosis:ERM SUBJECT_SAMPLE_FACTORS SU0012423 S00018822 Diagnosis:ERM SUBJECT_SAMPLE_FACTORS SU0012423 S00018823 Diagnosis:ERM SUBJECT_SAMPLE_FACTORS SU0012423 S00018824 Diagnosis:ERM SUBJECT_SAMPLE_FACTORS SU0012423 S00018825 Diagnosis:ERM SUBJECT_SAMPLE_FACTORS SU0012424 S00018826 Diagnosis:PDR SUBJECT_SAMPLE_FACTORS SU0012424 S00018827 Diagnosis:PDR SUBJECT_SAMPLE_FACTORS SU0012424 S00018828 Diagnosis:PDR SUBJECT_SAMPLE_FACTORS SU0012424 S00018829 Diagnosis:PDR SUBJECT_SAMPLE_FACTORS SU0012425 S00018830 Diagnosis:RD SUBJECT_SAMPLE_FACTORS SU0012425 S00018831 Diagnosis:RD SUBJECT_SAMPLE_FACTORS SU0012425 S00018832 Diagnosis:RD SUBJECT_SAMPLE_FACTORS SU0012425 S00018833 Diagnosis:RD SUBJECT_SAMPLE_FACTORS SU0012425 S00018834 Diagnosis:RD #COLLECTION CO:COLLECTION_SUMMARY - #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME A004 - Shotgun Lipidomics.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase MS:INSTRUMENT_NAME ABI Sciex 5600+ TripleTOF CH:COLUMN_NAME Waters Acquity HSS T3 (50 x 2.1mm, 1.8um) #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE A004 - Shotgun Lipidomics.pdf #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME ABI Sciex 5600+ TripleTOF MS:INSTRUMENT_TYPE Triple TOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area normalized MS_METABOLITE_DATA_START Samples S00018821 S00018822 S00018823 S00018824 S00018825 S00018826 S00018827 S00018828 S00018829 S00018830 S00018831 S00018832 S00018833 S00018834 Factors Diagnosis:ERM Diagnosis:ERM Diagnosis:ERM Diagnosis:ERM Diagnosis:ERM Diagnosis:PDR Diagnosis:PDR Diagnosis:PDR Diagnosis:PDR Diagnosis:RD Diagnosis:RD Diagnosis:RD Diagnosis:RD Diagnosis:RD CE(16:1); [M+NH4]+@10.83 5580.548708 5836.814243 23812.39555 8463.361309 10931.7165 29069.34286 23639.8906 37503.61575 25328.44009 34411.52382 46349.29033 11096.84127 12245.8927 27383.94281 CE(18:1); [M+NH4]+@11.08 155102.1777 139583.5107 258226.5119 32829.13423 33888.99916 545128.8218 163833.4891 466642.8222 519342.5514 417954.9103 455654.6287 320294.1902 169767.7918 163833.4891 CE(18:2); [M+NH4]+@10.83 717665.9038 561676.2764 1251871.138 439565.1025 407422.0094 2461432.133 1931474.646 2219595.664 1626002.984 1931474.646 2461432.133 1771098.042 1134392.397 1134392.397 CE(18:3); [M+NH4]+@10.64 135070.3274 12699.48392 220898.3132 9102.365551 1653.341433 264821.679 107543.8625 220898.3132 169767.7918 220898.3132 293227.9987 109825.2286 102268.4323 230758.2411 CE(20:2); [M+NH4]+@11.15 9796.515764 10931.7165 18472.37947 2981.560987 8328.815677 27705.86135 9796.515764 18472.37947 19788.03524 5309.620363 22100.09201 25695.03894 5405.080965 5836.814243 CE(20:3); [M+NH4]+@10.89 100467.2562 29069.34286 197529.7647 13988.68425 9360.174392 298847.0051 125238.5192 347225.3262 220898.3132 293227.9987 393197.3747 90071.34561 94855.48186 72342.99788 CE(20:4); [M+NH4]+@10.66 293227.9987 328328.162 831362.2022 258226.5119 230758.2411 1771098.042 868960.6289 1771098.042 1008285.694 1251871.138 1771098.042 673986.726 717665.9038 578970.9694 CE(22:6); [M+NH4]+@10.59 90071.34561 36907.25331 125238.5192 25328.44009 2427.269614 328328.162 102268.4323 393197.3747 208709.3139 328328.162 208709.3139 117187.7057 84924.82353 97031.34713 DG 32:0; [M+NH4]+@7.97 11989.15176 117187.7057 41728.7754 66833.20742 40767.31944 24043.49619 32829.13423 17870.21134 42995.01299 38723.39642 19472.39937 26943.92829 55197.33931 74452.82263 DG 34:0; [M+NH4]+@8.45 10931.7165 376523.6002 320294.1902 417954.9103 455654.6287 100467.2562 114472.422 78774.46301 252663.7274 158679.8945 62520.87375 286068.5267 320294.1902 328328.162 DG 34:2; [M+NH4]+@7.60 44412.64178 11262.30936 66833.20742 130127.9866 90071.34561 38723.39642 109825.2286 112657.1725 97031.34713 55197.33931 24369.45215 48659.99675 21779.43265 34411.52382 DG 36:1; [M+NH4]+@8.48 25003.09355 15608.0928 6786.571138 26569.95112 14487.87205 13731.66511 15939.81385 21779.43265 12899.69354 15289.56089 14138.81753 6906.618736 11599.68079 29954.14668 DG 36:2; [M+NH4]+@8.14 104470.6865 32829.13423 30404.87049 46349.29033 104470.6865 53950.14412 90071.34561 94855.48186 50112.79945 72342.99788 28620.20656 66833.20742 26342.98948 33478.92936 DG 36:3; [M+NH4]+@7.82 80430.00382 44412.64178 16563.35692 22972.98067 31821.5966 62520.87375 121526.8784 117187.7057 33888.99916 80430.00382 18871.3055 24369.45215 30793.94273 11405.09063 DG 38:5; [M+NH4]+@7.66 10045.42627 5405.080965 708.0912256 1024.402384 5836.814243 7578.97969 7442.359733 10160.8432 11730.48324 3992.527898 4781.725662 3639.228136 4266.253442 436.5048369 MG 17:0; [M+Li]+@3.19 26569.95112 914097.3284 673986.726 868960.6289 1008285.694 482361.6283 545128.8218 561676.2764 914097.3284 717665.9038 376523.6002 868960.6289 831362.2022 914097.3284 MG 18:0; [M+NH4]+@3.73 5706.321317 466642.8222 286068.5267 366938.5929 439565.1025 90071.34561 135070.3274 81826.23765 277230.1798 130127.9866 50112.79945 298847.0051 246529.7636 366938.5929 PC 30:0; [M+H]+@5.94 75835.25988 155102.1777 158679.8945 122659.5916 121526.8784 78774.46301 77102.49538 45432.6434 90071.34561 104470.6865 139583.5107 163833.4891 107543.8625 37503.61575 PC 32:0; [M+H]+@6.49 320294.1902 802376.318 802376.318 507547.6078 466642.8222 673986.726 578970.9694 455654.6287 407422.0094 578970.9694 1008285.694 1008285.694 802376.318 439565.1025 PC 32:0; [M+Na]+@6.55 4145.922172 100467.2562 148017.0153 121526.8784 30793.94273 68833.63829 31821.5966 25328.44009 20008.17761 77102.49538 148017.0153 107543.8625 90071.34561 100467.2562 PC 32:1; [M+Na]+@6.06 13539.88115 13539.88115 46349.29033 13829.25305 11730.48324 13539.88115 20008.17761 14138.81753 7578.97969 22100.09201 72342.99788 34179.69522 29954.14668 21237.50835 PC 33:0; [M+H]+@6.87 24043.49619 148017.0153 114472.422 184899.1761 184899.1761 42365.80344 39312.31747 39312.31747 87705.4019 40150.53183 34179.69522 58304.96148 97031.34713 68833.63829 PC 34:0; [M+Na]+@7.08 12245.8927 1626002.984 1463095.517 1463095.517 1463095.517 1008285.694 914097.3284 1463095.517 1251871.138 1134392.397 717665.9038 1251871.138 1463095.517 1463095.517 PC 34:3; [M+H]+@5.66 561676.2764 13988.68425 37503.61575 81826.23765 55949.46593 107543.8625 18871.3055 23812.39555 77102.49538 13539.88115 53950.14412 62520.87375 46986.61993 102268.4323 PC 34:4; [M+H]+@5.50 71457.10515 11730.48324 11730.48324 11730.48324 4214.150354 2756.840744 3896.036904 2981.560987 6543.106277 12245.8927 5964.684384 10160.8432 11096.84127 8463.361309 PC 34:4; [M+Na]+@5.54 9507.426917 13829.25305 15939.81385 6482.453576 9796.515764 1256.887305 3158.20422 3356.97055 2491.191214 5964.684384 1496.835889 2887.031983 12135.4125 5309.620363 PC 35:1; [M+H]+@6.93 78774.46301 184899.1761 252663.7274 286068.5267 328328.162 98491.75195 84924.82353 77102.49538 132013.0412 102268.4323 102268.4323 100467.2562 197529.7647 177057.1956 PC 35:4; [M+H]+@5.74 36119.95881 11599.68079 16896.45037 5405.080965 23812.39555 13364.60404 11599.68079 18871.3055 3639.228136 16150.38987 9796.515764 19087.51353 6711.938557 23639.8906 PC 36:0; [M+H]+@7.67 40767.31944 507547.6078 407422.0094 561676.2764 591148.6664 177057.1956 148017.0153 184899.1761 466642.8222 277230.1798 109825.2286 393197.3747 382414.6012 482361.6283 PC 36:1; [M+H]+@7.22 646179.5538 591148.6664 717665.9038 482361.6283 366938.5929 831362.2022 417954.9103 591148.6664 393197.3747 607828.9413 551814.2665 466642.8222 407422.0094 298847.0051 PC 36:2; [M+H]+@6.84 7549207.844 407422.0094 868960.6289 298847.0051 417954.9103 1626002.984 831362.2022 1626002.984 868960.6289 914097.3284 1931474.646 914097.3284 545128.8218 831362.2022 PC 36:2; [M+Na]+@6.89 24703.93852 87705.4019 102268.4323 7578.97969 11599.68079 148017.0153 81826.23765 102268.4323 75835.25988 64078.73277 264821.679 77102.49538 33888.99916 53950.14412 PC 36:3; [M+Na]+@6.38 2219595.664 163833.4891 298847.0051 230758.2411 58304.96148 393197.3747 197529.7647 607828.9413 439565.1025 393197.3747 561676.2764 439565.1025 366938.5929 376523.6002 PC 36:4; [M+H]+@5.93 5310566.712 277230.1798 545128.8218 306229.1195 163833.4891 717665.9038 551814.2665 831362.2022 607828.9413 802376.318 1463095.517 545128.8218 591148.6664 545128.8218 PC 36:4; [M+Na]+@6.01 107543.8625 1008285.694 914097.3284 1008285.694 868960.6289 507547.6078 482361.6283 417954.9103 717665.9038 551814.2665 328328.162 802376.318 914097.3284 802376.318 PC 38:3; [M+H]+@7.00 1626002.984 135070.3274 376523.6002 75835.25988 102268.4323 407422.0094 328328.162 551814.2665 366938.5929 439565.1025 646179.5538 264821.679 177057.1956 208709.3139 PC 38:4; [M+Na]+@6.80 6989.905411 46986.61993 81826.23765 10345.63141 7351.853779 60020.57844 93026.94425 125238.5192 30793.94273 83958.63112 184899.1761 29954.14668 25695.03894 22714.74975 PC 38:5; [M+H]+@6.44 1771098.042 109825.2286 306229.1195 155102.1777 74452.82263 455654.6287 298847.0051 545128.8218 328328.162 507547.6078 545128.8218 328328.162 298847.0051 347225.3262 PC 38:6; [M+H]+@6.41 2461432.133 169767.7918 264821.679 220898.3132 37866.43071 417954.9103 169767.7918 439565.1025 298847.0051 407422.0094 519342.5514 482361.6283 439565.1025 393197.3747 PC 38:6; [M+Na]+@6.08 42995.01299 51597.96381 40767.31944 84924.82353 38723.39642 41169.04893 33478.92936 30793.94273 28620.20656 25328.44009 84924.82353 25328.44009 22714.74975 26065.40335 PC 38:7; [M+H]+@5.48 109825.2286 1134392.397 1008285.694 1134392.397 1134392.397 591148.6664 561676.2764 482361.6283 831362.2022 673986.726 366938.5929 831362.2022 1008285.694 1008285.694 PC 38:8; [M+H]+@5.47 83958.63112 2219595.664 2219595.664 2219595.664 2219595.664 1931474.646 2219595.664 1931474.646 1771098.042 2219595.664 1134392.397 2219595.664 2219595.664 2219595.664 PC 40:3; [M+H]+@7.50 14267.74018 6786.571138 4598.321065 11989.15176 36907.25331 18099.86019 17583.29454 19472.39937 14138.81753 14267.74018 11599.68079 22100.09201 4428.681204 334.5403438 PC 40:5; [M+H]+@6.86 264821.679 118109.7449 169767.7918 41169.04893 13988.68425 135070.3274 98491.75195 158679.8945 100467.2562 139583.5107 286068.5267 125238.5192 163833.4891 55197.33931 PC 40:6; [M+H]+@6.75 455654.6287 298847.0051 417954.9103 264821.679 169767.7918 439565.1025 286068.5267 519342.5514 293227.9987 561676.2764 482361.6283 591148.6664 455654.6287 264821.679 PC 40:6; [M+Na]+@6.75 2701.551925 34411.52382 55949.46593 44412.64178 10160.8432 41728.7754 26569.95112 34179.69522 6482.453576 48659.99675 40767.31944 36119.95881 34179.69522 10573.97573 PC 42:11; [M+H]+@5.34 2533.455413 393197.3747 177057.1956 328328.162 347225.3262 71457.10515 71457.10515 68833.63829 163833.4891 107543.8625 29954.14668 293227.9987 277230.1798 277230.1798 PC 42:9; [M+H]+@5.92 6293.466839 78774.46301 44412.64178 109825.2286 135070.3274 23188.07266 24043.49619 13364.60404 34961.27191 18871.3055 17066.36225 60020.57844 81826.23765 45432.6434 PE 33:0; [M+H]+@7.00 270.1824286 60020.57844 32829.13423 102268.4323 66833.20742 16150.38987 11262.30936 7298.656482 29317.44771 17583.29454 10806.34944 13731.66511 23639.8906 37866.43071 PE 34:0; [M+Na]+@7.30 2186.440632 578970.9694 507547.6078 591148.6664 607828.9413 246529.7636 246529.7636 169767.7918 455654.6287 286068.5267 100467.2562 455654.6287 519342.5514 466642.8222 PE 36:0; [M+H]+@7.81 2113.496339 306229.1195 230758.2411 382414.6012 258226.5119 55197.33931 91464.37053 55949.46593 158679.8945 109825.2286 41169.04893 130127.9866 230758.2411 306229.1195 PE 36:3; [M+Na]+@6.30 25695.03894 439565.1025 393197.3747 519342.5514 393197.3747 117187.7057 75835.25988 107543.8625 482361.6283 230758.2411 83958.63112 104470.6865 466642.8222 455654.6287 PE 36:4; [M+H]+@6.28 34179.69522 551814.2665 607828.9413 578970.9694 507547.6078 230758.2411 230758.2411 98491.75195 320294.1902 376523.6002 75835.25988 607828.9413 607828.9413 591148.6664 PE 38:4; [M+H]+@7.00 114472.422 30793.94273 90071.34561 58304.96148 27383.94281 40767.31944 53950.14412 30404.87049 1256.887305 24043.49619 30793.94273 184899.1761 121526.8784 62520.87375 PE 40:6; [M+H]+@6.89 26943.92829 12135.4125 37866.43071 26342.98948 26569.95112 30793.94273 30404.87049 24043.49619 21477.51827 29954.14668 27705.86135 376523.6002 328328.162 17066.36225 PS 34:0; [M+H]+@6.57 15289.56089 1771098.042 1626002.984 1771098.042 1626002.984 1251871.138 1008285.694 1008285.694 1931474.646 1771098.042 914097.3284 1463095.517 1771098.042 1771098.042 SM 33:1; [M]+@5.43 163833.4891 17066.36225 34411.52382 12245.8927 6786.571138 31265.57007 27705.86135 33888.99916 46986.61993 40767.31944 77102.49538 14267.74018 25328.44009 25695.03894 SM 34:1; [M+Na]+@5.82 29317.44771 114472.422 100467.2562 98491.75195 6711.938557 66833.20742 34961.27191 51597.96381 68833.63829 46986.61993 298847.0051 25003.09355 75835.25988 40150.53183 SM 34:1; [M]+@5.82 4411512.465 519342.5514 578970.9694 376523.6002 320294.1902 1134392.397 673986.726 914097.3284 646179.5538 868960.6289 1626002.984 578970.9694 673986.726 519342.5514 SM 34:2; [M+Na]+@5.24 62520.87375 2589.725951 3422.311704 3566.175281 11096.84127 9360.174392 16896.45037 11730.48324 5405.080965 8328.815677 32277.21125 8876.454142 8612.966296 6076.393781 SM 34:2; [M]+@5.33 507547.6078 68833.63829 139583.5107 21779.43265 16896.45037 163833.4891 83958.63112 121526.8784 104470.6865 93026.94425 407422.0094 112657.1725 139583.5107 122659.5916 SM 35:1; [M+Na]+@6.04 2943.972438 1463095.517 1931474.646 1626002.984 1931474.646 914097.3284 1134392.397 1251871.138 1463095.517 1463095.517 802376.318 1626002.984 1626002.984 1626002.984 SM 36:0; [M]+@6.74 51597.96381 75835.25988 29954.14668 13539.88115 8755.131584 32277.21125 22100.09201 53950.14412 8876.454142 19087.51353 58304.96148 15041.7177 23812.39555 18643.09588 SM 36:1; [M]+@6.46 466642.8222 417954.9103 366938.5929 347225.3262 286068.5267 607828.9413 347225.3262 646179.5538 347225.3262 646179.5538 868960.6289 277230.1798 347225.3262 220898.3132 SM 36:2; [M+Na]+@6.01 10345.63141 197529.7647 121526.8784 208709.3139 306229.1195 45432.6434 62520.87375 29954.14668 107543.8625 50112.79945 80430.00382 38723.39642 125238.5192 125238.5192 SM 36:2; [M]+@5.96 220898.3132 258226.5119 347225.3262 277230.1798 208709.3139 382414.6012 220898.3132 320294.1902 258226.5119 320294.1902 831362.2022 230758.2411 208709.3139 184899.1761 SM 37:1; [M]+@6.83 29954.14668 77102.49538 40150.53183 100467.2562 114472.422 33888.99916 26342.98948 34961.27191 36119.95881 37503.61575 33888.99916 29069.34286 58304.96148 31821.5966 SM 38:1; [M]+@7.10 258226.5119 132013.0412 107543.8625 50112.79945 1673.646024 122659.5916 32277.21125 139583.5107 83958.63112 132013.0412 258226.5119 74452.82263 100467.2562 109825.2286 SM 38:2; [M]+@6.63 117187.7057 121526.8784 132013.0412 78774.46301 60020.57844 132013.0412 55949.46593 135070.3274 114472.422 122659.5916 382414.6012 72342.99788 114472.422 32829.13423 SM 39:1; [M]+@7.43 286068.5267 41169.04893 27705.86135 3336.867771 19087.51353 121526.8784 37866.43071 84924.82353 121526.8784 91464.37053 97031.34713 6482.453576 38723.39642 38723.39642 SM 40:1; [M+Na]+@7.65 20008.17761 5580.548708 8109.353871 30404.87049 5030.056556 26569.95112 5641.462155 12245.8927 15608.0928 14138.81753 42365.80344 10573.97573 26569.95112 6543.106277 SM 40:1; [M]+@7.67 347225.3262 81826.23765 163833.4891 36119.95881 42365.80344 252663.7274 112657.1725 246529.7636 197529.7647 246529.7636 466642.8222 135070.3274 117187.7057 130127.9866 SM 40:2; [M]+@7.17 393197.3747 93026.94425 246529.7636 27705.86135 34961.27191 306229.1195 100467.2562 258226.5119 230758.2411 197529.7647 417954.9103 177057.1956 220898.3132 139583.5107 SM 41:1; [M]+@7.95 230758.2411 6432.932417 42365.80344 10045.42627 9507.426917 84924.82353 25695.03894 41169.04893 58304.96148 41169.04893 98491.75195 32829.13423 14267.74018 34179.69522 SM 41:2; [M+Na]+@7.51 25328.44009 607828.9413 466642.8222 551814.2665 646179.5538 125238.5192 184899.1761 208709.3139 545128.8218 306229.1195 158679.8945 407422.0094 482361.6283 551814.2665 SM 41:2; [M]+@7.41 252663.7274 40767.31944 60020.57844 26943.92829 7981.081893 139583.5107 29317.44771 155102.1777 51597.96381 114472.422 155102.1777 10345.63141 34411.52382 40767.31944 SM 42:1; [M]+@8.17 328328.162 12245.8927 98491.75195 19087.51353 5580.548708 155102.1777 72342.99788 75835.25988 109825.2286 169767.7918 230758.2411 97031.34713 87705.4019 51597.96381 SM 42:2; [M+Na]+@7.74 48659.99675 4781.725662 36907.25331 4214.150354 708.0912256 29317.44771 9360.174392 26342.98948 10731.10877 23188.07266 87705.4019 26342.98948 7208.310808 6293.466839 SM 42:2; [M]+@7.70 551814.2665 130127.9866 382414.6012 68833.63829 40150.53183 561676.2764 277230.1798 507547.6078 382414.6012 366938.5929 673986.726 366938.5929 293227.9987 246529.7636 SM 42:4; [M]+@6.87 55197.33931 4356.858916 23639.8906 35740.4451 8612.966296 26342.98948 13539.88115 34411.52382 22714.74975 19788.03524 71457.10515 8755.131584 13829.25305 6989.905411 SM 43:2; [M]+@7.98 29069.34286 1653.341433 4891.583442 17870.21134 2589.725951 7208.310808 3422.311704 12563.90949 1401.972559 7442.359733 26943.92829 756.6053563 6543.106277 4428.681204 TG 40:0; [M+NH4]+@9.52 21237.50835 347225.3262 135070.3274 293227.9987 298847.0051 42995.01299 44412.64178 100467.2562 135070.3274 94855.48186 38723.39642 197529.7647 155102.1777 155102.1777 TG 42:0; [M+NH4]+@9.86 31265.57007 230758.2411 87705.4019 135070.3274 277230.1798 27383.94281 37503.61575 66833.20742 84924.82353 44412.64178 23188.07266 139583.5107 109825.2286 112657.1725 TG 42:0; [M+Na]+@9.85 4672.959752 53950.14412 18871.3055 104470.6865 62520.87375 8755.131584 8328.815677 24703.93852 13364.60404 17352.42399 5641.462155 20731.25742 32829.13423 28315.57945 TG 44:1; [M+NH4]+@9.89 64078.73277 84924.82353 36119.95881 80430.00382 81826.23765 20008.17761 31265.57007 42365.80344 25695.03894 21237.50835 22714.74975 50112.79945 48659.99675 66833.20742 TG 46:0; [M+NH4]+@10.29 60020.57844 264821.679 77102.49538 177057.1956 293227.9987 44412.64178 87705.4019 46349.29033 102268.4323 81826.23765 40150.53183 75835.25988 122659.5916 252663.7274 TG 46:0; [M+Na]+@10.35 1786.546083 83958.63112 24043.49619 87705.4019 84924.82353 30404.87049 24369.45215 15041.7177 41728.7754 26342.98948 9507.426917 26569.95112 37866.43071 60020.57844 TG 46:1; [M+NH4]+@10.14 130127.9866 27705.86135 28315.57945 46986.61993 50112.79945 34179.69522 46986.61993 27705.86135 27705.86135 22972.98067 33478.92936 41169.04893 80430.00382 75835.25988 TG 46:2; [M+NH4]+@9.92 122659.5916 21477.51827 29317.44771 55949.46593 35740.4451 19472.39937 40767.31944 35740.4451 16896.45037 12135.4125 23812.39555 29317.44771 30404.87049 44412.64178 TG 48:0; [M+NH4]+@10.49 112657.1725 717665.9038 482361.6283 646179.5538 717665.9038 347225.3262 376523.6002 293227.9987 507547.6078 545128.8218 177057.1956 561676.2764 551814.2665 561676.2764 TG 48:1; [M+NH4]+@10.39 366938.5929 31821.5966 19788.03524 90071.34561 75835.25988 75835.25988 208709.3139 72342.99788 42365.80344 45432.6434 90071.34561 78774.46301 78774.46301 132013.0412 TG 48:3; [M+NH4]+@9.93 197529.7647 3356.97055 7442.359733 7442.359733 1969.895668 22972.98067 60020.57844 26569.95112 15041.7177 7981.081893 30404.87049 3992.527898 13988.68425 26342.98948 TG 49:2; [M+NH4]+@10.34 38723.39642 3336.867771 6989.905411 15289.56089 12135.4125 21779.43265 30793.94273 14487.87205 16563.35692 16563.35692 16150.38987 15608.0928 36119.95881 41728.7754 TG 50:0; [M+NH4]+@10.74 93026.94425 868960.6289 646179.5538 831362.2022 914097.3284 519342.5514 519342.5514 382414.6012 802376.318 591148.6664 306229.1195 717665.9038 868960.6289 868960.6289 TG 50:1; [M+NH4]+@10.63 545128.8218 50112.79945 68833.63829 41728.7754 87705.4019 258226.5119 507547.6078 264821.679 98491.75195 135070.3274 220898.3132 169767.7918 130127.9866 197529.7647 TG 50:1; [M+Na]+@10.63 11262.30936 4145.922172 22100.09201 24043.49619 2827.89211 77102.49538 104470.6865 46986.61993 44412.64178 60020.57844 55949.46593 21477.51827 46349.29033 39312.31747 TG 50:2; [M+NH4]+@10.40 1134392.397 62520.87375 50112.79945 117187.7057 93026.94425 293227.9987 646179.5538 298847.0051 94855.48186 118109.7449 347225.3262 121526.8784 98491.75195 104470.6865 TG 50:2; [M+Na]+@10.42 20731.25742 16563.35692 13731.66511 25695.03894 6543.106277 58304.96148 139583.5107 48659.99675 41169.04893 32277.21125 66833.20742 16563.35692 22100.09201 30793.94273 TG 50:3; [M+NH4]+@10.20 868960.6289 20008.17761 16150.38987 21237.50835 31265.57007 94855.48186 466642.8222 230758.2411 37866.43071 84924.82353 125238.5192 17870.21134 27383.94281 55949.46593 TG 50:4; [M+NH4]+@9.99 376523.6002 9796.515764 3740.105798 7298.656482 2186.440632 24703.93852 122659.5916 42995.01299 11262.30936 18099.86019 45432.6434 8109.353871 7298.656482 10806.34944 TG 52:1; [M+NH4]+@10.89 417954.9103 90071.34561 74452.82263 132013.0412 139583.5107 158679.8945 407422.0094 114472.422 93026.94425 117187.7057 121526.8784 68833.63829 66833.20742 107543.8625 TG 52:2; [M+NH4]+@10.64 1251871.138 252663.7274 208709.3139 246529.7636 177057.1956 646179.5538 1626002.984 868960.6289 376523.6002 482361.6283 591148.6664 306229.1195 286068.5267 258226.5119 TG 52:3; [M+NH4]+@10.44 3767772.66 122659.5916 117187.7057 125238.5192 83958.63112 802376.318 1771098.042 717665.9038 118109.7449 455654.6287 607828.9413 220898.3132 184899.1761 98491.75195 TG 52:4; [M+NH4]+@10.26 3319361.367 37503.61575 42995.01299 14267.74018 55197.33931 551814.2665 1463095.517 673986.726 130127.9866 258226.5119 439565.1025 93026.94425 77102.49538 91464.37053 TG 52:5; [M+NH4]+@10.10 673986.726 45432.6434 12699.48392 18099.86019 3221.290874 80430.00382 293227.9987 130127.9866 33478.92936 51597.96381 78774.46301 21779.43265 17066.36225 28620.20656 TG 52:7; [M+NH4]+@9.71 21779.43265 1024.402384 1673.646024 4266.253442 2491.191214 3829.103309 8463.361309 3422.311704 3896.036904 1256.887305 1070.303257 2827.89211 3896.036904 1673.646024 TG 53:0; [M+NH4]+@11.22 2981.560987 286068.5267 155102.1777 320294.1902 376523.6002 87705.4019 68833.63829 90071.34561 184899.1761 98491.75195 36907.25331 158679.8945 306229.1195 286068.5267 TG 53:2; [M+NH4]+@10.83 18099.86019 10573.97573 5580.548708 11096.84127 8463.361309 22714.74975 29069.34286 28620.20656 26569.95112 25695.03894 29317.44771 6293.466839 1786.546083 7208.310808 TG 53:4; [M+NH4]+@10.40 53950.14412 270.1824286 3221.290874 816.4799556 3639.228136 15939.81385 40150.53183 9102.365551 4513.30376 5405.080965 15608.0928 19472.39937 3158.20422 3422.311704 TG 54:0; [M+NH4]+@11.26 13731.66511 545128.8218 439565.1025 673986.726 673986.726 184899.1761 306229.1195 286068.5267 551814.2665 298847.0051 118109.7449 417954.9103 393197.3747 407422.0094 TG 54:2; [M+NH4]+@10.90 246529.7636 29317.44771 19472.39937 34961.27191 24043.49619 93026.94425 258226.5119 91464.37053 66833.20742 75835.25988 122659.5916 42365.80344 42995.01299 24043.49619 TG 54:3; [M+NH4]+@10.73 407422.0094 94855.48186 80430.00382 71457.10515 125238.5192 277230.1798 607828.9413 376523.6002 80430.00382 177057.1956 246529.7636 155102.1777 83958.63112 121526.8784 TG 54:4; [M+NH4]+@10.49 802376.318 3829.103309 39312.31747 83958.63112 68833.63829 286068.5267 591148.6664 407422.0094 81826.23765 252663.7274 197529.7647 114472.422 71457.10515 24703.93852 TG 54:5; [M+NH4]+@10.32 831362.2022 66833.20742 29069.34286 18472.37947 22972.98067 320294.1902 717665.9038 366938.5929 78774.46301 148017.0153 252663.7274 87705.4019 72342.99788 36907.25331 TG 54:6; [M+NH4]+@10.11 482361.6283 20448.73849 26065.40335 10160.8432 34179.69522 118109.7449 393197.3747 148017.0153 46349.29033 66833.20742 94855.48186 35740.4451 29069.34286 41169.04893 TG 56:5; [M+NH4]+@10.60 97031.34713 22714.74975 3356.97055 6711.938557 4266.253442 19788.03524 74452.82263 58304.96148 23812.39555 23812.39555 34411.52382 4356.858916 26065.40335 13539.88115 lysoPC 16:0; [M+H]+@1.59 8623539.049 208709.3139 71457.10515 148017.0153 148017.0153 102268.4323 36907.25331 104470.6865 148017.0153 71457.10515 74452.82263 94855.48186 91464.37053 81826.23765 lysoPC 18:0; [M+H]+@2.36 4812566.889 91464.37053 104470.6865 107543.8625 77102.49538 83958.63112 34179.69522 132013.0412 112657.1725 97031.34713 60020.57844 71457.10515 132013.0412 77102.49538 lysoPC 19:0; [M+H]+@2.82 15041.7177 366938.5929 277230.1798 455654.6287 551814.2665 112657.1725 117187.7057 97031.34713 246529.7636 184899.1761 55197.33931 252663.7274 258226.5119 320294.1902 lysoPC 20:0; [M+Na]+@3.27 3740.105798 18871.3055 4145.922172 17066.36225 19788.03524 7351.853779 270.1824286 4891.583442 12135.4125 13159.21057 1127.744262 6711.938557 9360.174392 12899.69354 lysoPE 20:4; [M+H]+@1.44 33478.92936 220898.3132 72342.99788 169767.7918 482361.6283 55949.46593 48659.99675 37866.43071 117187.7057 78774.46301 26569.95112 84924.82353 5836.814243 158679.8945 plasmenyl-PC 36:4; [M+Na]+@6.52 3356.97055 4475.08646 33888.99916 23812.39555 117187.7057 16563.35692 14138.81753 23639.8906 26943.92829 18472.37947 28315.57945 24703.93852 6482.453576 20008.17761 plasmenyl-PC 38:4; [M+Na]+@6.68 14773.8414 7578.97969 17066.36225 7981.081893 15289.56089 17066.36225 13988.68425 26943.92829 30404.87049 24703.93852 46986.61993 8612.966296 9102.365551 4513.30376 plasmenyl-PE 36:4; [M+H]+@6.67 72342.99788 19087.51353 97031.34713 12563.90949 64078.73277 46349.29033 41728.7754 44412.64178 36907.25331 27383.94281 114472.422 53950.14412 19788.03524 21477.51827 plasmenyl-PE 38:4; [M+H]+@7.21 74452.82263 831362.2022 591148.6664 717665.9038 831362.2022 366938.5929 366938.5929 277230.1798 561676.2764 382414.6012 130127.9866 646179.5538 561676.2764 607828.9413 plasmenyl-PE 38:5; [M+H]+@6.78 77102.49538 5964.684384 109825.2286 19788.03524 16563.35692 109825.2286 42995.01299 60020.57844 34411.52382 100467.2562 107543.8625 122659.5916 135070.3274 13988.68425 plasmenyl-PE 38:6; [M+H]+@6.56 45432.6434 19788.03524 32277.21125 23188.07266 16150.38987 33478.92936 25003.09355 40767.31944 32277.21125 62520.87375 35740.4451 118109.7449 148017.0153 26943.92829 plasmenyl-PE 40:6; [M+H]+@7.19 30404.87049 3422.311704 10345.63141 2274.262117 15608.0928 31821.5966 34411.52382 28315.57945 5192.630671 29069.34286 51597.96381 39312.31747 50112.79945 25328.44009 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type CE(16:1); [M+NH4]+@10.83 10.83 CE(16:1) LipidMaps Bulk ID CE(18:1); [M+NH4]+@11.08 11.08 5283632 LMST01020003 LipidMaps CE(18:2); [M+NH4]+@10.83 10.83 5287939 LMST01020008 LipidMaps CE(18:3); [M+NH4]+@10.64 10.64 6436907 LMST01020009 LipidMaps CE(20:2); [M+NH4]+@11.15 11.15 16061338 LMST01020012 LipidMaps CE(20:3); [M+NH4]+@10.89 10.89 14274976 LMST01020013 LipidMaps CE(20:4); [M+NH4]+@10.66 10.66 6479222 LMST01020014 LipidMaps CE(22:6); [M+NH4]+@10.59 10.59 14274978 LMST01020019 LipidMaps DG 32:0; [M+NH4]+@7.97 7.97 DG(32:0) LipidMaps Bulk ID DG 34:0; [M+NH4]+@8.45 8.45 DG(34:0) LipidMaps Bulk ID DG 34:2; [M+NH4]+@7.60 7.6 DG(34:2) LipidMaps Bulk ID DG 36:1; [M+NH4]+@8.48 8.48 DG(36:1) LipidMaps Bulk ID DG 36:2; [M+NH4]+@8.14 8.14 DG(36:2) LipidMaps Bulk ID DG 36:3; [M+NH4]+@7.82 7.82 DG(36:3) LipidMaps Bulk ID DG 38:5; [M+NH4]+@7.66 7.66 DG(38:5) LipidMaps Bulk ID MG 17:0; [M+Li]+@3.19 3.19 107036 LMGL01010002 LipidMaps MG 18:0; [M+NH4]+@3.73 3.73 24699 LMGL01010003 LipidMaps PC 30:0; [M+H]+@5.94 5.94 PC(30:0) LipidMaps Bulk ID PC 32:0; [M+H]+@6.49 6.49 PC(32:0) LipidMaps Bulk ID PC 32:0; [M+Na]+@6.55 6.55 PC(32:0) LipidMaps Bulk ID PC 32:1; [M+Na]+@6.06 6.06 PC(32:1) LipidMaps Bulk ID PC 33:0; [M+H]+@6.87 6.87 PC(33:0) LipidMaps Bulk ID PC 34:0; [M+Na]+@7.08 7.08 PC(34:0) LipidMaps Bulk ID PC 34:3; [M+H]+@5.66 5.66 PC(34:3) LipidMaps Bulk ID PC 34:4; [M+H]+@5.50 5.5 PC(34:4) LipidMaps Bulk ID PC 34:4; [M+Na]+@5.54 5.54 PC(34:4) LipidMaps Bulk ID PC 35:1; [M+H]+@6.93 6.93 PC(35:1) LipidMaps Bulk ID PC 35:4; [M+H]+@5.74 5.74 PC(35:4) LipidMaps Bulk ID PC 36:0; [M+H]+@7.67 7.67 PC(36:0) LipidMaps Bulk ID PC 36:1; [M+H]+@7.22 7.22 PC(36:1) LipidMaps Bulk ID PC 36:2; [M+H]+@6.84 6.84 PC(36:2) LipidMaps Bulk ID PC 36:2; [M+Na]+@6.89 6.89 PC(36:2) LipidMaps Bulk ID PC 36:3; [M+Na]+@6.38 6.38 PC(36:3) LipidMaps Bulk ID PC 36:4; [M+H]+@5.93 5.93 PC(36:4) LipidMaps Bulk ID PC 36:4; [M+Na]+@6.01 6.01 PC(36:4) LipidMaps Bulk ID PC 38:3; [M+H]+@7.00 7 PC(38:3) LipidMaps Bulk ID PC 38:4; [M+Na]+@6.80 6.8 PC(38:4) LipidMaps Bulk ID PC 38:5; [M+H]+@6.44 6.44 PC(38:5) LipidMaps Bulk ID PC 38:6; [M+H]+@6.41 6.41 PC(38:6) LipidMaps Bulk ID PC 38:6; [M+Na]+@6.08 6.08 PC(38:6) LipidMaps Bulk ID PC 38:7; [M+H]+@5.48 5.48 PC(38:7) LipidMaps Bulk ID PC 38:8; [M+H]+@5.47 5.47 PC(38:8) LipidMaps Bulk ID PC 40:3; [M+H]+@7.50 7.5 PC(40:3) LipidMaps Bulk ID PC 40:5; [M+H]+@6.86 6.86 PC(40:5) LipidMaps Bulk ID PC 40:6; [M+H]+@6.75 6.75 PC(40:6) LipidMaps Bulk ID PC 40:6; [M+Na]+@6.75 6.75 PC(40:6) LipidMaps Bulk ID PC 42:11; [M+H]+@5.34 5.34 PC(42:11) LipidMaps Bulk ID PC 42:9; [M+H]+@5.92 5.92 PC(42:9) LipidMaps Bulk ID PE 33:0; [M+H]+@7.00 7 PE(33:0) LipidMaps Bulk ID PE 34:0; [M+Na]+@7.30 7.3 PE(34:0) LipidMaps Bulk ID PE 36:0; [M+H]+@7.81 7.81 PE(36:0) LipidMaps Bulk ID PE 36:3; [M+Na]+@6.30 6.3 PE(36:3) LipidMaps Bulk ID PE 36:4; [M+H]+@6.28 6.28 PE(36:4) LipidMaps Bulk ID PE 38:4; [M+H]+@7.00 7 PE(38:4) LipidMaps Bulk ID PE 40:6; [M+H]+@6.89 6.89 PE(40:6) LipidMaps Bulk ID PS 34:0; [M+H]+@6.57 6.57 PS(34:0) LipidMaps Bulk ID SM 33:1; [M]+@5.43 5.43 52931139 SM 34:1; [M+Na]+@5.82 5.82 SM 34:1 LipidBLAST SM 34:1; [M]+@5.82 5.82 SM 34:1 LipidBLAST SM 34:2; [M+Na]+@5.24 5.24 SM 34:2 LipidBLAST SM 34:2; [M]+@5.33 5.33 SM 34:2 LipidBLAST SM 35:1; [M+Na]+@6.04 6.04 SM 35:1 LipidBLAST SM 36:0; [M]+@6.74 6.74 52931167 SM 36:1; [M]+@6.46 6.46 44260139 SM 36:2; [M+Na]+@6.01 6.01 SM 36:2 LipidBLAST SM 36:2; [M]+@5.96 5.96 SM 36:2 LipidBLAST SM 37:1; [M]+@6.83 6.83 SM 37:1 LipidBLAST SM 38:1; [M]+@7.10 7.1 SM 38:1 LipidBLAST SM 38:2; [M]+@6.63 6.63 SM 38:2 LipidBLAST SM 39:1; [M]+@7.43 7.43 SM 39:1 LipidBLAST SM 40:1; [M+Na]+@7.65 7.65 SM 40:1 LipidBLAST SM 40:1; [M]+@7.67 7.67 SM 40:1 LipidBLAST SM 40:2; [M]+@7.17 7.17 SM 40:2 LipidBLAST SM 41:1; [M]+@7.95 7.95 SM 41:1 LipidBLAST SM 41:2; [M+Na]+@7.51 7.51 SM 41:2 LipidBLAST SM 41:2; [M]+@7.41 7.41 SM 41:2 LipidBLAST SM 42:1; [M]+@8.17 8.17 44260133 SM 42:2; [M+Na]+@7.74 7.74 SM 42:2 LipidBLAST SM 42:2; [M]+@7.70 7.7 SM 42:2 LipidBLAST SM 42:4; [M]+@6.87 6.87 SM 42:4 LipidBLAST SM 43:2; [M]+@7.98 7.98 SM 43:2 LipidBLAST TG 40:0; [M+NH4]+@9.52 9.52 TG(40:0) LipidMaps Bulk ID TG 42:0; [M+NH4]+@9.86 9.86 TG(42:0) LipidMaps Bulk ID TG 42:0; [M+Na]+@9.85 9.85 TG(42:0) LipidMaps Bulk ID TG 44:1; [M+NH4]+@9.89 9.89 TG(44:1) LipidMaps Bulk ID TG 46:0; [M+NH4]+@10.29 10.29 TG(46:0) LipidMaps Bulk ID TG 46:0; [M+Na]+@10.35 10.35 TG(46:0) LipidMaps Bulk ID TG 46:1; [M+NH4]+@10.14 10.14 TG(46:1) LipidMaps Bulk ID TG 46:2; [M+NH4]+@9.92 9.92 TG(46:2) LipidMaps Bulk ID TG 48:0; [M+NH4]+@10.49 10.49 TG(48:0) LipidMaps Bulk ID TG 48:1; [M+NH4]+@10.39 10.39 TG(48:1) LipidMaps Bulk ID TG 48:3; [M+NH4]+@9.93 9.93 TG(48:3) LipidMaps Bulk ID TG 49:2; [M+NH4]+@10.34 10.34 TG(49:2) LipidMaps Bulk ID TG 50:0; [M+NH4]+@10.74 10.74 TG(50:0) LipidMaps Bulk ID TG 50:1; [M+NH4]+@10.63 10.63 TG(50:1) LipidMaps Bulk ID TG 50:1; [M+Na]+@10.63 10.63 TG(50:1) LipidMaps Bulk ID TG 50:2; [M+NH4]+@10.40 10.4 TG(50:2) LipidMaps Bulk ID TG 50:2; [M+Na]+@10.42 10.42 TG(50:2) LipidMaps Bulk ID TG 50:3; [M+NH4]+@10.20 10.2 TG(50:3) LipidMaps Bulk ID TG 50:4; [M+NH4]+@9.99 9.99 TG(50:4) LipidMaps Bulk ID TG 52:1; [M+NH4]+@10.89 10.89 TG(52:1) LipidMaps Bulk ID TG 52:2; [M+NH4]+@10.64 10.64 TG(52:2) LipidMaps Bulk ID TG 52:3; [M+NH4]+@10.44 10.44 TG(52:3) LipidMaps Bulk ID TG 52:4; [M+NH4]+@10.26 10.26 TG(52:4) LipidMaps Bulk ID TG 52:5; [M+NH4]+@10.10 10.1 TG(52:5) LipidMaps Bulk ID TG 52:7; [M+NH4]+@9.71 9.71 TG(52:7) LipidMaps Bulk ID TG 53:0; [M+NH4]+@11.22 11.22 TG(53:0) LipidMaps Bulk ID TG 53:2; [M+NH4]+@10.83 10.83 TG(53:2) LipidMaps Bulk ID TG 53:4; [M+NH4]+@10.40 10.4 TG(53:4) LipidMaps Bulk ID TG 54:0; [M+NH4]+@11.26 11.26 TG(54:0) LipidMaps Bulk ID TG 54:2; [M+NH4]+@10.90 10.9 TG(54:2) LipidMaps Bulk ID TG 54:3; [M+NH4]+@10.73 10.73 TG(54:3) LipidMaps Bulk ID TG 54:4; [M+NH4]+@10.49 10.49 TG(54:4) LipidMaps Bulk ID TG 54:5; [M+NH4]+@10.32 10.32 TG(54:5) LipidMaps Bulk ID TG 54:6; [M+NH4]+@10.11 10.11 TG(54:6) LipidMaps Bulk ID TG 56:5; [M+NH4]+@10.60 10.6 TG(56:5) LipidMaps Bulk ID lysoPC 16:0; [M+H]+@1.59 1.59 LPC(16:0) LipidMaps Bulk ID lysoPC 18:0; [M+H]+@2.36 2.36 LPC(18:0) LipidMaps Bulk ID lysoPC 19:0; [M+H]+@2.82 2.82 24779472 LMGP01050041 LipidMaps lysoPC 20:0; [M+Na]+@3.27 3.27 24779473 LMGP01050045 LipidMaps lysoPE 20:4; [M+H]+@1.44 1.44 LPE(20:4) LipidMaps Bulk ID plasmenyl-PC 36:4; [M+Na]+@6.52 6.52 PC(P-36:4) LipidMaps Bulk ID plasmenyl-PC 38:4; [M+Na]+@6.68 6.68 PC(P-38:4) LipidMaps Bulk ID plasmenyl-PE 36:4; [M+H]+@6.67 6.67 PE(P-36:4) LipidMaps Bulk ID plasmenyl-PE 38:4; [M+H]+@7.21 7.21 PE(P-38:4) LipidMaps Bulk ID plasmenyl-PE 38:5; [M+H]+@6.78 6.78 PE(P-38:5) LipidMaps Bulk ID plasmenyl-PE 38:6; [M+H]+@6.56 6.56 PE(P-38:6) LipidMaps Bulk ID plasmenyl-PE 40:6; [M+H]+@7.19 7.19 PE(P-40:6) LipidMaps Bulk ID METABOLITES_END #END