#METABOLOMICS WORKBENCH lafrano_20230324_084640 DATATRACK_ID:3818 STUDY_ID:ST002827 ANALYSIS_ID:AN004616 PROJECT_ID:PR001769 VERSION 1 CREATED_ON August 24, 2023, 7:12 am #PROJECT PR:PROJECT_TITLE Multi-assay nutritional metabolomics profiling of low vitamin A status versus PR:PROJECT_TITLE adequacy is characterized by reduced plasma lipid mediators among lactating PR:PROJECT_TITLE women in the Philippines: A pilot study PR:PROJECT_SUMMARY Low vitamin A (VA) status is common among lactating women in low-income PR:PROJECT_SUMMARY countries. Lactation has substantial effects on mother’s metabolism and VA is PR:PROJECT_SUMMARY required in multiple biological processes, including growth, vision, immunity, PR:PROJECT_SUMMARY and reproduction. The objective of this pilot study was to utilize metabolomics PR:PROJECT_SUMMARY profiling to conduct a broad, exploratory assessment of differences in plasma PR:PROJECT_SUMMARY metabolites associated with low VA status versus VA adequacy in lactating women. PR:PROJECT_SUMMARY Plasma samples from lactating women who participated in a survey in Samar, PR:PROJECT_SUMMARY Philippines, were selected from a cross-sectional study based on plasma retinol PR:PROJECT_SUMMARY concentrations indicating low (VA-; n=5) or adequate (VA+; n=5) VA status PR:PROJECT_SUMMARY (plasma retinol <0.8 or >1.05 µmol/L). The plasma results collected from six PR:PROJECT_SUMMARY metabolomics assays (oxylipins, endocannabinoids, bile acids, primary PR:PROJECT_SUMMARY metabolomics, biogenic amines, and lipidomics) were compared by group using PR:PROJECT_SUMMARY liquid chromatography mass spectrometry. Twenty-eight metabolites were altered PR:PROJECT_SUMMARY in the VA- versus VA+ status groups, with 24 being lipid mediators (p<0.05). PR:PROJECT_SUMMARY These lipid mediators included lower concentrations of arachidonic acid- and PR:PROJECT_SUMMARY eicosapentaenoic acid-derived oxylipins, as well as lysophospholipids and PR:PROJECT_SUMMARY sphingolipids, in the VA- group (p<0.05). Chemical similarity enrichment PR:PROJECT_SUMMARY analysis identified HETEs, HEPEs, and DiHETEs as significantly altered oxylipin PR:PROJECT_SUMMARY clusters (p<0.0001, false discovery rate (FDR) p<0.0001), as well as PR:PROJECT_SUMMARY sphingomyelins, saturated lysophosphatidylcholines, phosphatidylcholines, and PR:PROJECT_SUMMARY phosphatidylethanolamines (p<0.001, FDR p<0.01). The multi-assay nutritional PR:PROJECT_SUMMARY metabolomics profiling of low VA status compared with adequacy in lactating PR:PROJECT_SUMMARY women was characterized by reduced lipid mediator concentrations. Future studies PR:PROJECT_SUMMARY with stronger study designs and larger sample size are needed to confirm and PR:PROJECT_SUMMARY validate these preliminary results. PR:INSTITUTE Cal Poly St. Univ., San Luis Obispo PR:LAST_NAME La Frano PR:FIRST_NAME Michael PR:ADDRESS CALIFORNIA POLYTECHNIC STATE UNIVERSITY, 1 GRAND AVE, SAN LUIS OBISPO, CA, PR:ADDRESS 93407, USA PR:EMAIL mlafrano@calpoly.edu PR:PHONE 7143602022 #STUDY ST:STUDY_TITLE Multi-assay nutritional metabolomics profiling of low vitamin A status versus ST:STUDY_TITLE adequacy is characterized by reduced plasma lipid mediators among lactating ST:STUDY_TITLE women in the Philippines: A pilot study. ST:STUDY_TYPE Case-control ST:STUDY_SUMMARY Low vitamin A (VA) status is common among lactating women in low-income ST:STUDY_SUMMARY countries. Lactation has substantial effects on mother’s metabolism and VA is ST:STUDY_SUMMARY required in multiple biological processes, including growth, vision, immunity, ST:STUDY_SUMMARY and reproduction. The objective of this pilot study was to utilize metabolomics ST:STUDY_SUMMARY profiling to conduct a broad, exploratory assessment of differences in plasma ST:STUDY_SUMMARY metabolites associated with low VA status versus VA adequacy in lactating women. ST:STUDY_SUMMARY Plasma samples from lactating women who participated in a survey in Samar, ST:STUDY_SUMMARY Philippines, were selected from a cross-sectional study based on plasma retinol ST:STUDY_SUMMARY concentrations indicating low (VA-; n=5) or adequate (VA+; n=5) VA status ST:STUDY_SUMMARY (plasma retinol <0.8 or >1.05 µmol/L). The plasma results collected from six ST:STUDY_SUMMARY metabolomics assays (oxylipins, endocannabinoids, bile acids, primary ST:STUDY_SUMMARY metabolomics, biogenic amines, and lipidomics) were compared by group using ST:STUDY_SUMMARY liquid chromatography mass spectrometry. Twenty-eight metabolites were altered ST:STUDY_SUMMARY in the VA- versus VA+ status groups, with 24 being lipid mediators (p<0.05). ST:STUDY_SUMMARY These lipid mediators included lower concentrations of arachidonic acid- and ST:STUDY_SUMMARY eicosapentaenoic acid-derived oxylipins, as well as lysophospholipids and ST:STUDY_SUMMARY sphingolipids, in the VA- group (p<0.05). Chemical similarity enrichment ST:STUDY_SUMMARY analysis identified HETEs, HEPEs, and DiHETEs as significantly altered oxylipin ST:STUDY_SUMMARY clusters (p<0.0001, false discovery rate (FDR) p<0.0001), as well as ST:STUDY_SUMMARY sphingomyelins, saturated lysophosphatidylcholines, phosphatidylcholines, and ST:STUDY_SUMMARY phosphatidylethanolamines (p<0.001, FDR p<0.01). The multi-assay nutritional ST:STUDY_SUMMARY metabolomics profiling of low VA status compared with adequacy in lactating ST:STUDY_SUMMARY women was characterized by reduced lipid mediator concentrations. Future studies ST:STUDY_SUMMARY with stronger study designs and larger sample size are needed to confirm and ST:STUDY_SUMMARY validate these preliminary results. ST:INSTITUTE California Polytechnic State University, San Luis Obispo ST:DEPARTMENT Food Science and Nutrition ST:LABORATORY Cal Poly Metabolomics Service Center ST:LAST_NAME La Frano ST:FIRST_NAME Michael ST:ADDRESS Attn: Dr. Michael La Frano Bldg 11 Room 239 Cal Poly State University 1 Grand ST:ADDRESS Avenue San Luis Obispo, CA 93407 ST:EMAIL mlafrano@calpoly.edu ST:PHONE (805) 756 6233 ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 10 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Female #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS 226 9 Case_Control:LOW Lipidomics Sample ID=Haskell Plasma Lipidomics HP9; Biogenic Amines Sample ID Identifier=Haskell Plasma Biogenic Amines HP9; Metabolomics Sample ID=Haskell Plasma Metabolomics HP9; Species=Human SUBJECT_SAMPLE_FACTORS 390 2 Case_Control:LOW Lipidomics Sample ID=Haskell Plasma Lipidomics HP2; Biogenic Amines Sample ID Identifier=Haskell Plasma Biogenic Amines HP2; Metabolomics Sample ID=Haskell Plasma Metabolomics HP2; Species=Human SUBJECT_SAMPLE_FACTORS 255 5 Case_Control:LOW Lipidomics Sample ID=Haskell Plasma Lipidomics HP5; Biogenic Amines Sample ID Identifier=Haskell Plasma Biogenic Amines HP5; Metabolomics Sample ID=Haskell Plasma Metabolomics HP5; Species=Human SUBJECT_SAMPLE_FACTORS 391 7 Case_Control:LOW Lipidomics Sample ID=Haskell Plasma Lipidomics HP7; Biogenic Amines Sample ID Identifier=Haskell Plasma Biogenic Amines HP7; Metabolomics Sample ID=Haskell Plasma Metabolomics HP7; Species=Human SUBJECT_SAMPLE_FACTORS 223 3 Case_Control:LOW Lipidomics Sample ID=Haskell Plasma Lipidomics HP3; Biogenic Amines Sample ID Identifier=Haskell Plasma Biogenic Amines HP3; Metabolomics Sample ID=Haskell Plasma Metabolomics HP3; Species=Human SUBJECT_SAMPLE_FACTORS 248 10 Case_Control:ADEQUATE Lipidomics Sample ID=Haskell Plasma Lipidomics HP10; Biogenic Amines Sample ID Identifier=Haskell Plasma Biogenic Amines HP10; Metabolomics Sample ID=Haskell Plasma Metabolomics HP10; Species=Human SUBJECT_SAMPLE_FACTORS 326 6 Case_Control:ADEQUATE Lipidomics Sample ID=Haskell Plasma Lipidomics HP6; Biogenic Amines Sample ID Identifier=Haskell Plasma Biogenic Amines HP6; Metabolomics Sample ID=Haskell Plasma Metabolomics HP6; Species=Human SUBJECT_SAMPLE_FACTORS 388 8 Case_Control:ADEQUATE Lipidomics Sample ID=Haskell Plasma Lipidomics HP8; Biogenic Amines Sample ID Identifier=Haskell Plasma Biogenic Amines HP8; Metabolomics Sample ID=Haskell Plasma Metabolomics HP8; Species=Human SUBJECT_SAMPLE_FACTORS 271 1 Case_Control:ADEQUATE Lipidomics Sample ID=Haskell Plasma Lipidomics HP1; Biogenic Amines Sample ID Identifier=Haskell Plasma Biogenic Amines HP1; Metabolomics Sample ID=Haskell Plasma Metabolomics HP1; Species=Human SUBJECT_SAMPLE_FACTORS 266 4 Case_Control:ADEQUATE Lipidomics Sample ID=Haskell Plasma Lipidomics HP4; Biogenic Amines Sample ID Identifier=Haskell Plasma Biogenic Amines HP4; Metabolomics Sample ID=Haskell Plasma Metabolomics HP4; Species=Human #COLLECTION CO:COLLECTION_SUMMARY Plasma samples analyzed in this study were collected from the antecubital vein CO:COLLECTION_SUMMARY in 7 mL Vacutainer® tubes containing K2-EDTA (Beckton Dickinson, Franklin CO:COLLECTION_SUMMARY Lakes, NJ, USA). CO:COLLECTION_PROTOCOL_FILENAME La_Frano_Treatment_Protocol_v1[23].pdf CO:SAMPLE_TYPE Blood (plasma) #TREATMENT TR:TREATMENT_SUMMARY The samples for this study were obtained from archived specimens from a TR:TREATMENT_SUMMARY cross-sectional survey that assessed the prevalence of VAD among a convenience TR:TREATMENT_SUMMARY sample of 207 lactating women in the province of Santa Margarita, Samar, TR:TREATMENT_SUMMARY Philippines. The original protocol was approved by the UC Davis IRB 290430-5 and TR:TREATMENT_SUMMARY the ethical committee of the local Ministry of Health in Eastern Visayas (Region TR:TREATMENT_SUMMARY VIII), Philippines. Excluded from the study were individuals who did not consent TR:TREATMENT_SUMMARY to further analysis of banked samples, had insufficient plasma remaining for TR:TREATMENT_SUMMARY metabolomics analysis, had samples that were not stored at the University of TR:TREATMENT_SUMMARY California, Davis, or had acute phase protein concentrations above normal range, TR:TREATMENT_SUMMARY including plasma C-reactive protein (CRP) > 5 mg/L or plasma α-1-acid TR:TREATMENT_SUMMARY glycoprotein (AGP) > 1.0 g/L (both measured by radial immunodiffusion). For the TR:TREATMENT_SUMMARY remaining samples eligible for metabolomics analysis, participants were divided TR:TREATMENT_SUMMARY into two groups with the lowest and highest concentrations based on their plasma TR:TREATMENT_SUMMARY VA concentrations. We selected 5 participants with plasma retinol ≤ 0.8 TR:TREATMENT_SUMMARY μmol/L and 5 participants with plasma retinol >1.05 μmol/L that were our low TR:TREATMENT_SUMMARY VA (VA-, < 0.8 μmol/L) or adequate VA (VA+, > 1.05 μmol/L) status groups, TR:TREATMENT_SUMMARY respectively. It must be noted that one participant in the VA- group had a TR:TREATMENT_SUMMARY plasma retinol concentration of 0.8 μmol/L, while the remaining four TR:TREATMENT_SUMMARY participants had plasma retinol ≤ 0.7 μmol/L, the cutoff for deficiency [8]. TR:TREATMENT_SUMMARY Casual breast milk retinol per gram of fat was also measured. Plasma samples TR:TREATMENT_SUMMARY analyzed in this study were collected from the antecubital vein in 7 mL TR:TREATMENT_SUMMARY Vacutainer® tubes containing K2-EDTA (Beckton Dickinson, Franklin Lakes, NJ, TR:TREATMENT_SUMMARY USA). Blood samples were shielded from light and placed in a cooler with ice TR:TREATMENT_SUMMARY packs prior to centrifugation to obtain plasma. Separated plasma samples were TR:TREATMENT_SUMMARY aliquoted into 2 ml cryovials and stored temporarily in a refrigerator until the TR:TREATMENT_SUMMARY end of data collection that day, and then frozen at -20⁰C for ~1-4 months, TR:TREATMENT_SUMMARY until transferred to Manila on dry ice, where they were stored first at -20 ºC TR:TREATMENT_SUMMARY and then later at -80ºC. Thereafter, samples were shipped on dry ice to the TR:TREATMENT_SUMMARY University of California, Davis and stored at -80ºC until analysis. TR:TREATMENT_PROTOCOL_FILENAME La_Frano_Treatment_Protocol_v1[23].pdf #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Metabolomics assays for primary metabolomics, biogenic amines, and lipidomics SP:SAMPLEPREP_SUMMARY were performed using protein precipitation extraction with UPLC-MS using SP:SAMPLEPREP_SUMMARY modified previously published methods [6]. Briefly, 25 µL of plasma were added SP:SAMPLEPREP_SUMMARY to 1.5 mL tubes before the addition of 10 µL of 1 µM internal standard SP:SAMPLEPREP_SUMMARY solution, followed by 750 µL chilled methanol. Samples were then vortexed 30 SP:SAMPLEPREP_SUMMARY seconds prior to being centrifuged at 15,000 x G for 10 min. The supernatant was SP:SAMPLEPREP_SUMMARY transferred to 1.5 mL high performance liquid chromatography (HPLC) amber glass SP:SAMPLEPREP_SUMMARY vials, dried by centrifugal vacuum evaporation, and reconstituted in 100 µL 3:1 SP:SAMPLEPREP_SUMMARY acetonitrile: methanol solution with CUDA solution. The reconstituted solution SP:SAMPLEPREP_SUMMARY was vortexed 30 seconds and placed on ice for 10 minutes. The solution was then SP:SAMPLEPREP_SUMMARY centrifuged at 10,000 x G for 3 minutes after being transferred to microfilter SP:SAMPLEPREP_SUMMARY tubes. The supernatant was then transferred to a HPLC vial to be analyzed using SP:SAMPLEPREP_SUMMARY the UPLC-MS. SP:SAMPLEPREP_PROTOCOL_FILENAME La_Frano_Lab_Methods_Doc_VA_v9[2].pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Waters Acquity I-Class CH:COLUMN_NAME Prosphere HP C4 (150 x 3.0 mm, 3um) CH:SOLVENT_A 95% water/5% methanol; 0.1% acetic acid; 10 mM ammonium acetate CH:SOLVENT_B 100% methanol; 0.1% acetic acid CH:FLOW_GRADIENT 0-2 min: 20%, 2-3 min: 20%, 3-7 min: 80%, 7-10 min: 100%, 10-11 min: 100%, 11-15 CH:FLOW_GRADIENT min: 20% CH:FLOW_RATE 0.35 mL/min CH:COLUMN_TEMPERATURE 30 °C CH:METHODS_FILENAME La_Frano_Lab_Methods_Doc_VA_v9[2].pdf CH:SAMPLE_INJECTION 5µl CH:RANDOMIZATION_ORDER Excel generated #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME Cal Poly Metabolomics Service Center AN:OPERATOR_NAME Rob Fanter AN:DETECTOR_TYPE Quadropule ion trap (QTrap) AN:SOFTWARE_VERSION Data acquisition:AB Sciex Analyst;Data processing: AB Sciex MultiQuant 3.0 AN:PROCESSING_PARAMETERS_FILE La_Frano_Lab_Methods_Doc_VA_v9[2].pdf AN:DATA_FORMAT .mzml #MS MS:INSTRUMENT_NAME ABI Sciex API 4000 QTrap MS:INSTRUMENT_TYPE QTRAP MS:MS_TYPE API MS:ION_MODE POSITIVE MS:MS_COMMENTS La_Frano_Lab_Methods_Doc_VA_v9[2].pdf #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak Area MS_METABOLITE_DATA_START Samples 9 2 5 7 3 10 6 8 1 4 Factors Case_Control:LOW Case_Control:LOW Case_Control:LOW Case_Control:LOW Case_Control:LOW Case_Control:ADEQUATE Case_Control:ADEQUATE Case_Control:ADEQUATE Case_Control:ADEQUATE Case_Control:ADEQUATE C32:2 PC 188193006.3 147464344.1 131569973.7 223142964 154736957.9 214218128.5 217062438.8 209227005.2 291511389.8 237573112 C32:1 PC 543997622.5 451804237.6 304851265.8 568626718.5 516823037.7 512288563.5 467119676 408241464.2 430583681.7 467218540 C32:0 PC 508179440.3 372883854.2 259879307.3 474707504.2 518114644.4 520648478.1 472064816 334394485.1 420106317.5 533698730.1 C34:2 PC 584129149.1 554251122.7 422035563.3 566358564.9 540261123.2 658755043.6 560501486.5 609368821 691957472.4 583370865.9 C34:1 PC 1134673150 1035200337 838356842.7 1102099442 1104182756 1283012916 1122868073 1158433585 1312447183 1214651596 C36:4 PC-A 921086957.2 728270680.9 565975734 762942906.5 788792199.1 894031843.5 840540282 828503044.2 874745467.2 871575722.3 C36:4 PC-B 837617749.8 714296109.7 548507630.2 762942906.5 788792199.1 894031843.5 867687655.1 828503044.2 925983500.9 860243778.6 C36:3 PC 858411169.7 694838396.8 523898461.9 797425071.1 826538586.5 1000274141 916180029.4 826126854.9 890869551.8 910765842.2 C36:2 PC 811435751 666692591 478732817.1 776239941.1 777504203.6 1091338993 841331464.9 935525205.6 850187164.4 911460537.9 C36:1 PC 753466574.7 534908368.1 449152858.1 758436651.7 734010882.7 1003780329 718058291.4 831749472 785175912.8 879886619.7 C38:6 PC 329403754.8 308264073 217811768 325173490.1 342138553 405643398 416597582.5 434480709.5 359043022.9 368348917.5 C38:5 PC 607986600.2 571403205.7 404369861.5 616611000.6 606366103.2 781035627.4 758713940.4 844028626.5 671673207.7 689621036.9 C38:4 PC 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630493945.6 760612497.4 C20:4 LPC 417572072.3 323766363.5 280517316.1 370642723.1 384761161.5 466798567.9 426836806.1 492477696.7 265983281 532198593.1 C36:1 PE 233460716.6 126527007.9 130974322.3 184923450 246006239.8 254986042.1 207299325.9 180483242.3 239369746.4 255224654.5 C36:0 PE 147271344.4 73435726.82 69730536.54 104050767.9 151373570.3 147298834.8 116025374 91870577.17 108435300.5 160830103.1 C18:2 LPE 42174666.95 30662468.57 29702380.02 43355327.81 48706303.96 102498989.9 66221147.69 77089906.99 113957077.2 69339071.82 C18:1 LPE 57754665.77 51063276.06 39586085.53 46844075.14 54421543.39 76387123.88 72623418.26 83964838.74 140608846.2 57545659.04 C22:6 LPE 251912915.9 164558877 156859142 237694753.6 241716795.5 408754798.9 308800987.8 374269997.2 474980352.3 348772926.2 C14:0 SM 144382658.3 134201679.6 114004924.7 147284461.6 134611368.4 187903614.2 126577640.3 201977631.8 96808518 133922971.3 C16:1 SM 239556419.7 134570938.9 100083647.2 152984274 140535612.2 295254424.8 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236327967.2 223035052 277419004.6 604959987.4 196284903.5 C24:0 SM 304649469.2 216093402.2 202573195.7 379184545.7 276011013.6 415110794.5 251126174.6 380179152 212075922.8 341311793.2 C20:5 CE NH4+ 277362240.5 291810727.9 280471918.2 326462757.8 289940400.6 254715847.3 249405269 235504148.9 294021650.2 309644977.1 C22:6 CE NH4+ 52151690.82 35186980.43 35970539.21 38104022.12 32841517.94 84388481.51 43651892.62 103405013.7 33632065.69 41142946.55 C16:1 CE Na+ 27539358.68 18973011 17989103.18 26719153.37 23501650.25 27656173.71 25623982.1 14284498.11 9846063.116 28877250.67 C18:2 CE Na+ 128294299.5 132779582.5 118196306 150562974.6 104625366.5 110236998.1 82733587.67 120963236.7 69439785.23 123935345.1 C20:3 CE Na+ 133378066.6 123459600.9 96320159.67 127432825 125799240.2 150393239 111434597 172839702.6 53304523.42 129812364.6 C44:0 TAG NH4+ 127330664.5 92156679.18 98000747.43 111810850.9 118708465.5 117641735 119296184.7 130884236.8 147695896.1 108440342.9 C46:0 TAG NH4+ 240353489.6 196975776.9 173958537.5 206207790.8 192354717.4 278178365.7 218676526.1 251821035.8 482041266.1 243283459.5 C48:2 TAG NH4+ 236804209.1 150911832.5 155978665.1 214752206 195049370.9 284064272.2 268953051.6 218728558.3 368564308.5 234101286.3 C48:1 TAG NH4+ 467417751.8 371711261.3 312737014.6 440389046.9 415546097.1 555071741.8 518189011.8 459479459.7 526156453.6 507402376.9 C48:0 TAG NH4+ 476437363.3 408939310.8 287429771.4 458782219.1 415426584.5 554835138.8 524309854.9 507343460.7 647072848.5 552452351.9 C50:4 TAG NH4+ 127342607.8 116388053.1 97935718.09 126744632.3 130289369.2 161763265.5 190805922.9 160135795.4 212112232.4 133702264.6 C50:3 TAG NH4+ 215728149.5 207042735.5 148434760.8 224422758.6 211329699.9 243400925.1 289178828.3 233110647.3 249575449.9 233662985.8 C52:2 TAG NH4+ 128033277.8 100750447.2 74040500.95 122627072 97961438.03 121970342.1 109064483.1 136556074.9 38078369.88 99242574.02 C54:6 TAG NH4+ 126596108.4 91234936.79 68707174.12 93872991.13 126903376.9 158394629.3 118111538.4 142145522.3 80329171.86 92470757.61 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name RefMet Name Method Mode Pubchem CID KEGG Inchikey C32:2 PC PC 32:2 Lipidomics 24778764 GPWHCUUIQMGELX-VHQDNGOZSA-N C32:1 PC PC 32:1 Lipidomics 6443788 QIBZFHLFHCIUOT-NPBIGWJUSA-N C32:0 PC PC 16:0/16:0 Lipidomics 452110 KILNVBDSWZSGLL-KXQOOQHDSA-N C34:2 PC PC 34:2 Lipidomics 5287971 JLPULHDHAOZNQI-ZTIMHPMXSA-N C34:1 PC PC 34:1 Lipidomics 5497103 WTJKGGKOPKCXLL-VYOBOKEXSA-N C36:4 PC-A PC 36:4 Lipidomics 10747814 IIZPXYDJLKNOIY-JXPKJXOSSA-N C36:4 PC-B PC 36:4 Lipidomics 10747814 IIZPXYDJLKNOIY-JXPKJXOSSA-N C36:3 PC PC 36:3 Lipidomics 24778937 BXRLDROZWDUSGM-ZRYFCQOPSA-N C36:2 PC PC 36:2 Lipidomics 10350317 SNKAWJBJQDLSFF-NVKMUCNASA-N C36:1 PC PC 36:1 Lipidomics 24778825 ATHVAWFAEPLPPQ-VRDBWYNSSA-N C38:6 PC PC 38:6 Lipidomics 52923295 PLZBTDKJYHXIEW-DZUXOTHRSA-N C38:5 PC PC 38:5 Lipidomics 52923235 SUACBSWYGWBPFC-GPUJSUHJSA-N C38:4 PC PC 38:4 Lipidomics 16219824 PSVRFUPOQYJOOZ-QNPWAGBNSA-N C38:3 PC PC 38:3 Lipidomics 52922741 OJHJKEBRZSDTTL-VHWCKNCUSA-N C40:6 PC PC 40:6 Lipidomics 24778900 FYVNIFOYDIIODX-KNKJIUSSSA-N C14:0 LPC LPC 14:0 Lipidomics 460604 VXUOFDJKYGDUJI-OAQYLSRUSA-N C16:0 LPC LPC 16:0/0:0 Lipidomics 460602 ASWBNKHCZGQVJV-HSZRJFAPSA-N C18:2 LPC LPC 18:2 Lipidomics 11005824 SPJFYYJXNPEZDW-FTJOPAKQSA-N C18:1 LPC LPC 18:1 Lipidomics 16081932 YAMUFBLWGFFICM-PTGWMXDISA-N C18:0 LPC LPC 18:0 Lipidomics 497299 IHNKQIMGVNPMTC-RUZDIDTESA-N C20:4 LPC LPC 20:4 Lipidomics 53480469 GOMVPVRDBLLHQC-VEJNOCSESA-N C36:1 PE PE 36:1 Lipidomics 9546734 JQKOHRZNEOQNJE-ZZEZOPTASA-N C36:0 PE PE 36:0 Lipidomics 52924864 BKBDQKWNZFNSMN-LDLOPFEMSA-N C18:2 LPE LPE 18:2 Lipidomics 52925130 DBHKHNGBVGWQJE-USWSLJGRSA-N C18:1 LPE LPE 18:1 Lipidomics 9547071 PYVRVRFVLRNJLY-MZMPXXGTSA-N C22:6 LPE LPE 22:6 Lipidomics 52925132 XEVRBOQZSXWGQO-PAUXXPOVSA-N C14:0 SM SM 18:0;O2/14:0 Lipidomics 44260138 MJAFYELZQYPMQG-MPQUPPDSSA-N C16:1 SM SM 18:0;O2/16:1 Lipidomics 9939941 RWKUXQNLWDTSLO-GWQJGLRPSA-N C18:2 SM SM 18:0;O2/18:2 Lipidomics 6443882 NBEADXWAAWCCDG-QDDWGVBQSA-N C18:1 SM SM 18:1;O2/18:0 Lipidomics 6453725 LKQLRGMMMAHREN-YJFXYUILSA-N C20:0 SM SM 18:1;O2/20:0 Lipidomics 44260124 AADLTHQNYQJHQV-SVLGDMRNSA-N C22:1 SM SM 18:1;O2/22:1 Lipidomics 52931201 FOULCGVQZYQEQM-DNXGLLHMSA-N C22:0 SM SM 18:1;O2/22:0 Lipidomics 44260125 FJJANLYCZUNFSE-TWKUQIQBSA-N C23:1 SM SM 18:0;O2/23:1 Lipidomics 46891684 SXZWBNWTCVLZJN-NMIJJABPSA-N C23:0 SM SM 18:0;O2/23:0 Lipidomics 53481364 CRPAVAKPGRALOU-YWPUXERESA-N C24:1 SM SM 18:2;O2/24:0 Lipidomics 52931217 DACOGJMBYLZYDH-GXJPFUDISA-N C24:0 SM SM 18:0;O2/24:0 Lipidomics 44260134 SMJLGESYPKPRNU-CRCOQUFZSA-N C20:5 CE NH4+ CE 20:5 Lipidomics 53477889 XZFUGMCJZFRBKF-JIKDAPOUSA-N C22:6 CE NH4+ CE 22:6 Lipidomics 14274978 VOEVEGPMRIYYKC-HNJOWPRISA-N C16:1 CE Na+ CE 16:1 Lipidomics 22833543 HODJWNWCVNUPAQ-FSAOOAOSSA-N C18:2 CE Na+ CE 18:2 Lipidomics 5287939 NAACPBBQTFFYQB-LJAITQKLSA-N C20:3 CE Na+ CE 20:3 Lipidomics 53477892 MLPRJPSMAFZPLA-PJSAOELNSA-N C44:0 TAG NH4+ TG 44:0 Lipidomics 14169768 UXWDTZNNQVHGSG-UHFFFAOYSA-N C46:0 TAG NH4+ TG 46:0 Lipidomics 4099879 JWVXCFSNEOMSHH-UHFFFAOYSA-N C48:2 TAG NH4+ TG 48:2 Lipidomics 9543987 RUOVJPPUXXFZPC-YZEIBMOJSA-N C48:1 TAG NH4+ TG 48:1 Lipidomics 9543986 FEKLSEFRUGWUOS-DLOIZKPKSA-N C48:0 TAG NH4+ TG 48:0 Lipidomics 11147 PVNIQBQSYATKKL-UHFFFAOYSA-N C50:4 TAG NH4+ TG 50:4 Lipidomics 25240359 PVMBAGXWHHZKFP-JMPJWMFJSA-N C50:3 TAG NH4+ TG 50:3 Lipidomics 25240357 UFHNZOACKFBCOM-YXKNDSBASA-N C52:2 TAG NH4+ TG 52:2 Lipidomics 56938176 TXMWKTABZBAJCW-QLHBUVOUSA-N C54:6 TAG NH4+ TG 54:6 Lipidomics 5322095 HBOQXIRUPVQLKX-BBWANDEASA-N METABOLITES_END #END