#METABOLOMICS WORKBENCH juliehaines_20240717_075220 DATATRACK_ID:5012 STUDY_ID:ST003330 ANALYSIS_ID:AN005455 PROJECT_ID:PR002070 VERSION 1 CREATED_ON July 18, 2024, 10:19 pm #PROJECT PR:PROJECT_TITLE Increased Cholesterol Synthesis Drives Neurotoxicity in Patient Stem PR:PROJECT_TITLE Cell-Derived Model of Multiple Sclerosis PR:PROJECT_SUMMARY Senescent neural progenitor cells have been identified in brain lesions of PR:PROJECT_SUMMARY people with progressive multiple sclerosis (PMS). However, their role in disease PR:PROJECT_SUMMARY pathobiology and contribution to the lesion environment remains unclear. By PR:PROJECT_SUMMARY establishing directly induced neural stem/progenitor cell (iNSC) lines from PMS PR:PROJECT_SUMMARY patient fibroblasts, we studied their senescent phenotype in vitro. Senescence PR:PROJECT_SUMMARY was strongly associated with inflammatory signaling, hypermetabolism, and the PR:PROJECT_SUMMARY senescence associated secretory phenotype (SASP). PMS-derived iNSCs displayed PR:PROJECT_SUMMARY increased glucose-dependent fatty acid and cholesterol synthesis, which resulted PR:PROJECT_SUMMARY in the accumulation of cholesteryl ester-enriched lipid droplets. An HMG-CoA PR:PROJECT_SUMMARY reductase-mediated lipogenic state was found to induce secretion of the SASP in PR:PROJECT_SUMMARY PMS iNSC conditioned media via transcriptional regulation by PR:PROJECT_SUMMARY cholesterol-dependent transcription factors. SASP from PMS iNSCs induced PR:PROJECT_SUMMARY neurotoxicity. Chemical targeting of HMG-CoA reductase using the PR:PROJECT_SUMMARY cholesterol-lowering drug simvastatin (SV) reprogrammed the SASP and rescued PR:PROJECT_SUMMARY neurotoxicity. Our findings suggest a disease-associated, cholesterol-related, PR:PROJECT_SUMMARY hypermetabolic phenotype of PMS iNSCs that leads to neurotoxic signaling and is PR:PROJECT_SUMMARY rescuable pharmacologically. PR:INSTITUTE University of Colorado Denver PR:LABORATORY Lab of Angelo D'Alessandro in collaboration with lab of Stefano Pluchino (Univ PR:LABORATORY of Cambridge) PR:LAST_NAME Haines PR:FIRST_NAME Julie PR:ADDRESS 12801 E 17th Ave, Room 1303, Aurora, Colorado, 80045, USA PR:EMAIL julie.haines@cuanschutz.edu PR:PHONE 3037243339 #STUDY ST:STUDY_TITLE Increased Cholesterol Synthesis Drives Neurotoxicity in Patient Stem ST:STUDY_TITLE Cell-Derived Model of Multiple Sclerosis - media lipidomics ST:STUDY_SUMMARY Lipidomics analysis was performed on conditioned media from cultured iNSCs ST:STUDY_SUMMARY derived from fibroblasts of progressive multiple sclerosis patients versus ST:STUDY_SUMMARY age-matched controls. ST:INSTITUTE University of Colorado Denver ST:LAST_NAME Haines ST:FIRST_NAME Julie ST:ADDRESS 12801 E 17th Ave, Room 1303, Aurora, Colorado, 80045, USA ST:EMAIL julie.haines@cuanschutz.edu ST:PHONE 3037243339 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Homo sapiens SU:GENDER Male and 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 A AMC A S4 Disease state:AMC | Sample source:Conditioned media RAW_FILE_NAME(raw file name)=DS1-58-025 SUBJECT_SAMPLE_FACTORS A AMC A S5 Disease state:AMC | Sample source:Conditioned media RAW_FILE_NAME(raw file name)=DS1-58-026 SUBJECT_SAMPLE_FACTORS A AMC A S6 Disease state:AMC | Sample source:Conditioned media RAW_FILE_NAME(raw file name)=DS1-58-027 SUBJECT_SAMPLE_FACTORS B AMC B S4 Disease state:AMC | Sample source:Conditioned media RAW_FILE_NAME(raw file name)=DS1-58-028 SUBJECT_SAMPLE_FACTORS B AMC B S5 Disease state:AMC | Sample source:Conditioned media RAW_FILE_NAME(raw file name)=DS1-58-029 SUBJECT_SAMPLE_FACTORS B AMC B S6 Disease state:AMC | Sample source:Conditioned media RAW_FILE_NAME(raw file name)=DS1-58-030 SUBJECT_SAMPLE_FACTORS D AMC D S4 Disease state:AMC | Sample source:Conditioned media RAW_FILE_NAME(raw file name)=DS1-58-034 SUBJECT_SAMPLE_FACTORS D AMC D S5 Disease state:AMC | Sample source:Conditioned media RAW_FILE_NAME(raw file name)=DS1-58-035 SUBJECT_SAMPLE_FACTORS D AMC D S6 Disease state:AMC | Sample source:Conditioned media RAW_FILE_NAME(raw file name)=DS1-58-036 SUBJECT_SAMPLE_FACTORS A PMS A S4 Disease state:PMS | Sample source:Conditioned media RAW_FILE_NAME(raw file name)=DS1-58-037 SUBJECT_SAMPLE_FACTORS A PMS A S5 Disease state:PMS | Sample source:Conditioned media RAW_FILE_NAME(raw file name)=DS1-58-038 SUBJECT_SAMPLE_FACTORS A PMS A S6 Disease state:PMS | Sample source:Conditioned media RAW_FILE_NAME(raw file name)=DS1-58-039 SUBJECT_SAMPLE_FACTORS B PMS B S4 Disease state:PMS | Sample source:Conditioned media RAW_FILE_NAME(raw file name)=DS1-58-040 SUBJECT_SAMPLE_FACTORS B PMS B S5 Disease state:PMS | Sample source:Conditioned media RAW_FILE_NAME(raw file name)=DS1-58-041 SUBJECT_SAMPLE_FACTORS B PMS B S6 Disease state:PMS | Sample source:Conditioned media RAW_FILE_NAME(raw file name)=DS1-58-042 SUBJECT_SAMPLE_FACTORS C PMS C S4 Disease state:PMS | Sample source:Conditioned media RAW_FILE_NAME(raw file name)=DS1-58-043 SUBJECT_SAMPLE_FACTORS C PMS C S5 Disease state:PMS | Sample source:Conditioned media RAW_FILE_NAME(raw file name)=DS1-58-044 SUBJECT_SAMPLE_FACTORS C PMS C S6 Disease state:PMS | Sample source:Conditioned media RAW_FILE_NAME(raw file name)=DS1-58-045 SUBJECT_SAMPLE_FACTORS D PMS D S4 Disease state:PMS | Sample source:Conditioned media RAW_FILE_NAME(raw file name)=DS1-58-046 SUBJECT_SAMPLE_FACTORS D PMS D S5 Disease state:PMS | Sample source:Conditioned media RAW_FILE_NAME(raw file name)=DS1-58-047 SUBJECT_SAMPLE_FACTORS D PMS D S6 Disease state:PMS | Sample source:Conditioned media RAW_FILE_NAME(raw file name)=DS1-58-048 SUBJECT_SAMPLE_FACTORS N/A NC 4 Disease state:no-cell-ctrl | Sample source:Blank media RAW_FILE_NAME(raw file name)=DS1-58-049 SUBJECT_SAMPLE_FACTORS N/A NC 5 Disease state:no-cell-ctrl | Sample source:Blank media RAW_FILE_NAME(raw file name)=DS1-58-050 SUBJECT_SAMPLE_FACTORS N/A NC 6 Disease state:no-cell-ctrl | Sample source:Blank media RAW_FILE_NAME(raw file name)=DS1-58-051 #COLLECTION CO:COLLECTION_SUMMARY 3-5 mm skin biopsies were collected in Biopsy Collection Medium (RPMI 1460 CO:COLLECTION_SUMMARY [Thermo Fisher] with 1X Antibiotic-Antimycotic [Thermo Fisher]), cut into CO:COLLECTION_SUMMARY smaller pieces (<1 mm) and plated onto a TC-treated 35 mm dish in Biopsy Plating CO:COLLECTION_SUMMARY Medium, composed by Knockout DMEM (Thermo Fisher), 2 mM GlutaMax (Thermo CO:COLLECTION_SUMMARY Fisher), 0.1 mM non-essential amino acids (Thermo Fisher), 0.1 mM CO:COLLECTION_SUMMARY β-Mercaptoethanol (Thermo Fisher), 10% Fetal Bovine Serum (FBS) (Thermo CO:COLLECTION_SUMMARY Fisher), 1X Penicillin-Streptomycin (P/S) (Thermo Fisher) and 1% Nucleosides CO:COLLECTION_SUMMARY (Millipore). Once the first fibroblasts migrated out of the biopsies, the CO:COLLECTION_SUMMARY cultures were maintained in growth medium (DMEM Glutamax I [Thermo Fisher] CO:COLLECTION_SUMMARY supplemented with 10% fetal bovine serum, 1% non-essential amino acids and 1 mM CO:COLLECTION_SUMMARY sodium pyruvate (Thermo Fisher) at 37°C with 5 % CO2 and fed every 3-4 days. CO:COLLECTION_SUMMARY After reaching 90% confluency the fibroblasts were detached with trypsin-EDTA CO:COLLECTION_SUMMARY 0.05% for 5 min followed by neutralization in DMEM and spun down at 300xg for 5 CO:COLLECTION_SUMMARY min. They were split 1:4 into growth media. Fibroblasts at passage 3-5 were CO:COLLECTION_SUMMARY reprogrammed to iPSCs using the integration free technology based on CO:COLLECTION_SUMMARY non-modified RNA plus microRNA (kit from REPROCELL, formerly Stemgent), CO:COLLECTION_SUMMARY following manufacturer’s instructions. About 25x10^3 fibroblasts/well were CO:COLLECTION_SUMMARY plated onto Matrigel-coated 12-well plates in culture medium for 24 hours and CO:COLLECTION_SUMMARY then in NuFF-conditioned Pluriton reprogramming medium with B18R. Cells were CO:COLLECTION_SUMMARY transfected for 11 consecutive days using Stemfect as following: day 0 microRNA CO:COLLECTION_SUMMARY only, days 1-3 RNA only, day 4 microRNA plus RNA, days 5-11 RNA only. From day CO:COLLECTION_SUMMARY 11, TRA-1-60+ colonies (live stained) were manually picked and re-plated on CO:COLLECTION_SUMMARY mouse embryonic fibroblasts in HUESM medium (Knockout-DMEM, 20% knock-out serum, CO:COLLECTION_SUMMARY glutamax 2mM, NEAA 0.1mM, 1X P/S and β-mercaptoethanol 0.1mM [Thermo Fisher]). CO:COLLECTION_SUMMARY Pluripotent colonies were passaged and adapted to feeder-free conditions with CO:COLLECTION_SUMMARY hESC matrigel (Corning) and mTeSR1 (STEMCELL Technologies) medium. The WIBJ iPSC CO:COLLECTION_SUMMARY line, obtained from Cambridge BioResource as a gift from Alessandra Granada, was CO:COLLECTION_SUMMARY reprogrammed from fibroblasts using the CytoTune 1 non-integrating kit (Thermo CO:COLLECTION_SUMMARY Fisher). iPSC media was changed every day. When confluent, cells were lifted CO:COLLECTION_SUMMARY using accutase (Thermo Fisher), spun at 300xg for 5 min, and split 1:10-1:20 CO:COLLECTION_SUMMARY onto hESC-matrigel coated plates with Y-27632 (10 uM) (Thermo Fisher) in mTeSR1 CO:COLLECTION_SUMMARY media. To generate directly induced neural stem cells (iNSCs) from fibroblasts CO:COLLECTION_SUMMARY we used a nonintegrating Sendai virus-based direct conversion strategy, as CO:COLLECTION_SUMMARY previously described (https://doi.org/10.3791/52831). Briefly, fibroblasts were CO:COLLECTION_SUMMARY seeded at 75,000/well in fibroblast media in a non-coated 12-well. On the next CO:COLLECTION_SUMMARY day the fibroblasts were transduced using the CytoTune-iPS 2.0 Sendai CO:COLLECTION_SUMMARY Reprogramming Kit (Thermo Fisher) with hKOS (MOI: 3), hc-Myc (MOI: 3), hKlf4 CO:COLLECTION_SUMMARY (MOI: 3). The day following transfection, the medium was switched to neural CO:COLLECTION_SUMMARY induction medium (NIM) [DMEM:F12 and Neurobasal (1:1), supplemented with N2 CO:COLLECTION_SUMMARY supplement (1x, ThermoFisher), 1% glutamax, B27 supplement (1x, ThermoFisher), CO:COLLECTION_SUMMARY CHIR99021 (3 µM, Cell Guidance Systems), SB-431542 (2 µM, Cayman Chemicals) CO:COLLECTION_SUMMARY and hLIF (10 ng/ml, Cell Signaling Technology)], and cells were moved to 39°C CO:COLLECTION_SUMMARY with 5% CO2 to achieve viral clearance over 14 days. A few samples were CO:COLLECTION_SUMMARY collected here to generate positive controls for quality control assays. Medium CO:COLLECTION_SUMMARY changes were performed every other day. Following 25 days of transfection, iNSC CO:COLLECTION_SUMMARY colonies were manually selected, seeded onto Growth Factor Reduced (GFR) CO:COLLECTION_SUMMARY Matrigel Matrix (1:20 in DMEM/F12) coated plates for expansion, and subjected to CO:COLLECTION_SUMMARY quality control assays. iNSCs were maintained in NIM media until 70% confluent, CO:COLLECTION_SUMMARY then lifted using accutase (ThermoFisher), spun at 300xg for 3 mins, and plated CO:COLLECTION_SUMMARY onto GFR-Matrigel coated plates with Y-27632 (10 µM, Miltenyi Biotec) between CO:COLLECTION_SUMMARY 1:3-1:5 in NIM media. Media was changed every second day as needed. Experiments CO:COLLECTION_SUMMARY were performed on cells from passages 20-40. iNSCs were seeded in NIM with CO:COLLECTION_SUMMARY Y-27632 (10 µM) at a density of 100,000 cells/cm2 GFR-matrigel coated wells, in CO:COLLECTION_SUMMARY technical triplicates per line. Medium was changed the next day. Samples for CO:COLLECTION_SUMMARY extracellular lipidomics analysis were collected on day 3 after seeding (no CO:COLLECTION_SUMMARY other medium changes were done except for the day 1 feeding with fresh NIM). CO:COLLECTION_SUMMARY Sample collection was performed on ice. Conditioned culture medium was CO:COLLECTION_SUMMARY collected, spun at 300 x g for 5 minutes to remove cellular debris and 100 µL CO:COLLECTION_SUMMARY was stored at -80 degrees C until sample processing. CO:SAMPLE_TYPE Culture Media #TREATMENT TR:TREATMENT_SUMMARY No treatment performed. This analysis focused on baseline lipidomics profiles in TR:TREATMENT_SUMMARY conditioned media from the culturing of induced neural stem cells from TR:TREATMENT_SUMMARY progressive multiple sclerosis patients versus age-matched controls. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Lipids from conditioned media (20 uL) were extracted with cold methanol (380 SP:SAMPLEPREP_SUMMARY uL). Samples were vortexed 30 min at 4 degrees C then supernatants clarified by SP:SAMPLEPREP_SUMMARY centrifugation (10 min, 10,000 g, 4 degrees C) and transferred to autosampler SP:SAMPLEPREP_SUMMARY vials. SP:PROCESSING_STORAGE_CONDITIONS 4℃ SP:EXTRACT_STORAGE -80℃ #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Positive C18 CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Phenomenex Kinetex C18 (30 x 2.1mm,1.7um) CH:SOLVENT_A 75% water/25% acetonitrile; 5 mM ammonium acetate CH:SOLVENT_B 90% isopropanol/10% acetonitrile; 5 mM ammonium acetate CH:FLOW_GRADIENT 0-3 min 30-100% B at 0.3 mL/min, 3-4.2 min hold at 100% B at 0.3 mL/min, 4.2-4.3 CH:FLOW_GRADIENT min 100-30% B at 0.4 mL/min, 4.3-4.9 min hold at 30%B and 0.4 mL/min, 4.9-5 min CH:FLOW_GRADIENT hold at 30%B while lowering flow rate to 0.3 mL/min CH:FLOW_RATE 0.3 mL/min - 0.4 mL/min CH:COLUMN_TEMPERATURE 45 CH:SAMPLE_INJECTION 5 uL #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS The Q Exactive was run independently in positive and negative ion mode, scanning MS:MS_COMMENTS using full MS from 125-1500 m/z at 70,000 resolution and top 10 data-dependent MS:MS_COMMENTS MS2 at 17,500 resolution. Electrospray ionization was achieved with 45 Arb MS:MS_COMMENTS sheath gas, 25 Arb auxiliary gas, and 4 kV spray voltage. Calibration was MS:MS_COMMENTS performed prior to the run using the PierceTM Positive Ion Calibration Solution MS:MS_COMMENTS (Thermo Fisher Scientific). Run order of samples was randomized and technical MS:MS_COMMENTS replicates were injected after every 4 samples to assess quality control. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples AMC A S4 AMC A S5 AMC A S6 AMC B S4 AMC B S5 AMC B S6 AMC D S4 AMC D S5 AMC D S6 PMS A S4 PMS A S5 PMS A S6 PMS B S4 PMS B S5 PMS B S6 PMS C S4 PMS C S5 PMS C S6 PMS D S4 PMS D S5 PMS D S6 NC 4 NC 5 NC 6 Factors Disease state:AMC | Sample source:Conditioned media Disease state:AMC | Sample source:Conditioned media Disease state:AMC | Sample source:Conditioned media Disease state:AMC | Sample source:Conditioned media Disease state:AMC | Sample source:Conditioned media Disease state:AMC | Sample source:Conditioned media Disease state:AMC | Sample source:Conditioned media Disease state:AMC | Sample source:Conditioned media Disease state:AMC | Sample source:Conditioned media Disease state:PMS | Sample source:Conditioned media Disease state:PMS | Sample source:Conditioned media Disease state:PMS | Sample source:Conditioned media Disease state:PMS | Sample source:Conditioned media Disease state:PMS | Sample source:Conditioned media Disease state:PMS | Sample source:Conditioned media Disease state:PMS | Sample source:Conditioned media Disease state:PMS | Sample source:Conditioned media Disease state:PMS | Sample source:Conditioned media Disease state:PMS | Sample source:Conditioned media Disease state:PMS | Sample source:Conditioned media Disease state:PMS | Sample source:Conditioned media Disease state:no-cell-ctrl | Sample source:Blank media Disease state:no-cell-ctrl | Sample source:Blank media Disease state:no-cell-ctrl | Sample source:Blank media DG(15:0_16:0)+NH4 1053080.58 1097082.96 1094055.00 1124229.87 1091242.51 1142292.62 1836750.17 1124735.38 1079389.84 2360021.98 1039913.78 1142897.93 1750600.15 1715451.36 1056388.89 1094728.38 1158737.10 1071067.27 1089064.06 1122475.48 1094090.92 1094862.41 1090479.01 1102017.97 DG(16:0_14:0)+NH4 1069969.15 1111197.18 1144127.14 1110575.55 1129986.81 1074449.29 1153520.12 1119737.87 1095778.33 948515.94 1079487.17 1173491.08 1042890.80 1442542.52 1126200.99 1095329.08 1530110.54 1329095.72 1092904.08 1672973.53 1050084.91 1020724.29 1076729.63 1081181.94 DG(16:0_16:0)+NH4 2054313.56 2397282.58 3607919.73 2094327.81 3470552.29 3513202.44 3000059.19 3359687.21 2903706.67 3753197.94 3011983.37 2863435.80 2886438.00 3340658.44 2296312.49 3684514.95 3237146.46 2992778.31 3298853.63 3608901.28 3270794.14 2238630.04 3366687.21 2471575.44 DG(16:0_16:1)+NH4 2728353.64 3135642.47 2955568.00 2585042.09 2999773.65 3121199.11 2866510.57 2862080.94 2739460.10 2768272.36 2668033.01 3043714.70 2697044.29 2372331.21 2783259.56 2737283.59 2907393.20 2570386.10 2859354.98 2923819.05 2316461.83 2612135.08 3042905.48 2997190.29 DG(16:0_18:1)+NH4 2231236.26 2353656.23 2258078.53 2199456.16 2326585.57 2180302.87 2307673.71 1956802.02 2261192.62 2025008.04 2359420.64 2092896.06 1998360.63 2241647.10 2496791.64 2131446.80 2401565.22 2244557.45 2271615.28 2232290.60 2137172.99 2291197.81 2119173.43 1694313.65 DG(16:1_16:1)+NH4 1337527.81 1300099.51 1308117.57 1229627.07 1348425.71 1372367.55 1360997.01 1356888.10 1227276.35 1345129.33 1334556.65 1309651.27 1369784.57 1494385.35 1452339.88 1312471.85 1644708.02 1375946.68 1335080.83 1424718.71 1442365.16 1251209.23 1270033.45 1381751.85 DG(18:0_16:0)+NH4 864513.43 1526369.99 1664237.43 882015.64 938797.42 924939.30 880728.46 799195.89 1661117.98 915991.09 1720045.96 1650147.18 875044.52 914259.79 889048.02 869303.46 844270.56 864893.99 885362.20 1399627.88 926712.62 1260882.29 892081.97 1373425.11 DG(18:0_18:0)+NH4 442179.66 439161.59 414555.23 407381.45 446206.37 663240.05 435109.43 400870.16 368650.57 640107.25 425145.08 399092.31 403822.35 436802.96 439353.36 389873.38 385600.56 406051.58 416240.12 398138.81 438200.17 411829.87 398705.41 459610.96 DG(18:1_18:1)+NH4 1126532.67 1152976.20 1349131.43 1167533.80 837124.27 972926.65 1156958.34 1238697.49 1183401.95 1101443.01 1107540.18 880177.75 1506929.73 1140639.52 1206631.40 1160803.22 1230402.16 1172942.57 1044018.81 1072200.89 1145503.08 1103706.19 1109714.43 1259902.05 LPC(16:0)+H 513950.42 482766.78 491768.91 688966.45 376677.76 450762.08 263541.92 409551.67 309390.03 1430128.10 1566987.33 1198350.89 488389.40 520311.25 572919.90 1905341.22 1538588.32 1302126.47 856266.92 706777.03 828504.74 54167.95 19107.80 31484.41 LPC(18:1)+H 128832.26 147638.18 132799.39 112166.48 67387.35 93406.05 66771.20 93384.66 75283.86 261873.89 294204.54 223692.52 129954.38 144394.12 137357.05 334938.30 253705.35 247701.24 280569.15 223502.18 255250.02 9178.89 0.00 4824.15 PC(19:0_13:0)+H 216707.09 214194.97 198522.69 287078.67 161129.61 171537.50 156343.68 199792.87 162882.36 199799.93 236965.31 164438.39 164367.32 152647.09 51811.07 204800.07 224633.64 62711.42 213100.72 178034.86 183390.93 5692.87 23696.87 30013.82 PC(34:1)+H 468931.74 495946.67 454265.52 905918.12 336395.84 359477.56 251802.27 300309.18 239962.07 550024.93 576253.99 450945.09 439650.24 459074.83 482149.35 555223.20 551335.55 473981.50 718816.95 548165.85 669803.73 80598.35 50350.68 34310.62 TG(12:0_12:0_12:0)+NH4 1649982.78 2240195.64 2222018.47 1738277.26 2020432.49 1794904.75 1877768.28 1633963.71 1657286.71 2183221.73 1743178.57 1712907.48 1714146.19 2293493.40 1623141.15 1806367.81 2151083.01 1554678.69 2079095.06 2183159.90 1673266.47 1966298.04 1270412.15 1573761.16 TG(12:0_12:0_14:0)+NH4 1617008.40 1714839.07 1710841.04 1662647.12 1648175.83 1573728.40 1405024.16 1819751.73 1192494.26 1458188.16 1495630.10 1436268.22 1795007.38 1699225.26 1248822.60 1394890.19 1074079.69 1442726.00 1533076.00 1606452.42 1542839.32 1119057.58 1307196.92 1758408.17 TG(15:0_14:0_14:0)+NH4 1989625.93 2334372.65 2822589.52 2745306.91 2887230.15 2061997.93 2966199.04 3129981.27 2582427.30 2535861.41 2975508.27 3028086.71 2631929.96 2655919.16 2167061.71 2692436.57 2286987.50 2232201.74 2659193.24 3156893.05 3000302.52 2066345.54 2077296.30 2829063.67 TG(15:0_14:0_16:0)+NH4 5807166.39 6228843.07 6365816.47 7442133.07 5709192.56 6067553.42 6453335.48 8128760.43 5952147.73 7520030.38 7717399.48 8318649.36 7221511.21 5676381.82 7747931.69 5857066.16 5737136.96 7836427.51 7448942.86 9887050.49 7284944.81 7474871.94 5521186.75 7846864.22 TG(15:0_14:0_16:1)+NH4 4536653.26 5854956.76 4467340.85 4302557.13 4182948.41 5452697.32 4577903.31 6463956.47 5482185.35 4149273.87 7367144.16 4774804.01 4484937.21 4238861.45 5559659.17 5792633.36 6107074.72 5533021.32 5358668.60 4547101.94 5943019.22 4725340.02 3997844.53 4649969.01 TG(15:0_16:0_16:0)+NH4 11281741.34 9398719.29 12126554.81 11806818.37 10582361.00 11246985.80 15261440.46 12650257.30 8944886.24 8778889.87 9195141.66 12793642.75 14571694.06 8323399.73 14560150.28 9426543.45 14793339.58 8352258.53 14876178.10 11128946.35 11708129.55 14950604.87 14207732.29 14390602.46 TG(15:0_16:0_16:1)+NH4 11739716.03 12767209.37 12193669.98 8472965.05 10839752.98 8994464.07 11957197.72 12749407.52 11423052.68 11524059.44 11194199.74 9697800.42 9060639.11 8850972.69 14670091.93 9140758.54 11835901.66 9153735.69 15127837.67 9610562.55 9367892.25 12195617.85 14142704.98 8807063.89 TG(16:0_12:0_14:0)+NH4 1730343.29 1761997.08 2201869.72 1704128.23 1895870.42 2028134.17 2236015.98 1797976.85 2082967.44 2365564.00 2180036.02 2459083.84 1730278.79 2241039.70 1744858.66 2130375.37 2493465.22 2398160.85 2157938.78 1737457.49 2312841.18 1938965.30 1670559.98 2304208.50 TG(16:0_14:0_14:0)+NH4 5393700.03 7203676.72 5745738.65 6496738.44 4768001.31 5415379.59 6829358.28 5899854.17 5375127.49 4967583.71 5417880.13 6210712.70 5374243.92 5004844.14 4928943.65 6990452.93 6832170.34 5247053.00 6647331.37 4956687.62 5351851.12 5325872.16 6496770.41 6784552.21 TG(16:0_14:0_16:0)+NH4 14543065.90 15273367.70 12286940.55 11805796.21 13905014.19 15010266.01 15798552.22 12664592.28 11516548.92 11166943.04 15540812.35 13215369.36 18911496.87 11407306.59 18874453.46 18831499.27 19082620.21 11449772.69 13474315.30 11932270.08 19140429.43 15731905.91 18300232.84 11838429.43 TG(16:0_14:0_16:1)+NH4 13345958.06 14469876.71 11155874.74 12530000.67 13260570.42 10182337.78 11274631.24 14445279.94 10389149.29 13704991.62 9913628.28 18728901.88 10570398.77 12568099.37 17279168.63 10159896.27 17621270.06 13588523.56 10705769.21 13178640.54 13731364.12 13546996.76 16676063.33 13498915.32 TG(16:0_14:0_24:0)+NH4 1417923.49 1468254.89 1413731.92 1829906.73 1388258.73 1863787.46 1441437.24 1637731.66 1493686.46 2014095.84 2005605.33 1546523.56 1492780.70 1483191.08 1451670.75 1481230.37 1957745.66 1452381.49 1388329.57 1441848.21 1832622.88 1491180.44 1466838.68 1487599.86 TG(16:0_16:0_16:0)+NH4 15609987.31 16613741.26 16371197.22 20828940.20 11768479.28 15706950.94 17524354.38 22245404.98 16107125.13 20571870.87 17172679.69 18341424.96 20610719.64 12002557.96 12398540.20 12596827.70 20506292.90 16377182.33 16532927.62 21069722.14 16980096.35 13189377.88 15316601.49 15862171.88 TG(16:0_16:0_16:1)+NH4 15051680.13 19250584.55 19226311.45 24388805.58 18297265.80 14205700.69 24615725.90 15643531.53 14499800.77 24562449.97 19528088.22 26524182.60 15716448.02 15558517.23 24412117.17 24334921.70 24876315.51 14646819.54 18951003.34 19533002.21 15672021.19 20548672.15 15016432.22 24156896.37 TG(16:0_16:0_17:0)+NH4 4756684.88 5965234.82 5830611.04 5896825.41 4357968.22 4504075.44 5927556.86 6827888.90 5971591.51 5834424.22 6671307.42 6799436.84 6011504.34 5845115.59 4336096.01 5984850.44 4611476.96 4534031.80 6001814.57 5781219.83 6109812.51 6092971.11 4562162.25 5853896.49 TG(16:0_16:0_17:1)+NH4 9705655.34 7941476.63 7791660.54 12155632.92 7339178.74 9727188.31 10022156.73 10735097.15 7423969.23 10015463.55 10185992.12 13347707.47 7944457.55 7667942.59 9313483.02 10133438.83 7633983.41 7583849.58 7860652.38 9980777.41 7430754.53 9555168.06 6961170.60 7405486.28 TG(16:0_16:0_18:1)+NH4 11266541.78 9441484.05 11541635.32 9462332.67 8718323.31 8954618.88 9896938.85 10271096.37 9315409.32 9610188.66 12695931.22 10743784.08 12148644.08 8817210.03 8714493.99 9059516.16 8885970.95 11760529.51 14598344.71 9571796.04 12024413.30 9564614.04 9208516.49 14548896.54 TG(16:0_16:0_24:0)+NH4 1678881.23 1507790.10 1606646.33 2020408.08 2003073.10 1699891.60 1640154.19 1919316.25 1543083.70 2113195.09 2147973.80 2352616.78 1461831.77 1599949.87 1537524.59 1987790.59 1658120.21 1547740.01 1906074.95 1654334.23 1561538.18 2248704.66 1641304.44 2072602.86 TG(16:0_16:1_16:1)+NH4 15638420.13 12697274.09 16645571.51 15064634.87 14794195.99 15942264.40 12340361.62 13253909.62 15455983.84 20436428.19 12336667.30 17967459.83 20021133.34 15782694.61 15633548.58 16412027.58 12791283.45 16304752.56 16350470.54 12916783.95 12987889.56 16421671.77 19534994.31 20333659.20 TG(16:0_16:1_18:1)+NH4 14120224.20 11502140.98 14106568.40 17765026.05 10783528.31 14205814.45 10621310.31 11405213.90 11128232.45 18181175.62 11543440.56 15861602.79 11281219.27 13636915.15 17678899.47 11096492.50 18162560.96 14140003.33 17694656.35 18024373.49 11665521.35 18091557.95 12977163.68 17569278.63 TG(16:0_16:1_22:0)+NH4 1449150.21 1855529.69 1343855.82 1363962.76 1725675.62 1826256.06 1478323.53 1495580.44 1340854.84 1776067.56 1382905.41 1388763.71 1255113.74 1268802.55 1355047.82 1369979.43 1312219.22 1221259.05 1332394.01 1808207.67 1273345.47 1395748.19 1409586.73 1429591.25 TG(16:0_16:1_24:0)+NH4 2135673.52 1504811.84 1526414.42 1925006.35 1512933.31 1509939.67 1572512.15 2195351.20 1919881.26 1998061.70 1617107.40 2202833.38 1937648.04 1559458.00 1651824.24 1992780.66 1491482.34 1406698.19 2040753.50 1973112.09 1484877.13 1962544.57 1524707.71 1660556.55 TG(16:0_17:0_18:1)+NH4 2732328.18 2722477.24 2907175.00 4526476.65 2746579.03 2760642.50 2767313.96 3874812.11 3418736.22 2863513.85 3850153.18 3238072.47 3998275.61 2731885.03 3375372.84 3382131.54 2809701.99 2671183.78 2717066.04 3429971.70 2991399.07 2865728.02 3612331.41 3532375.53 TG(16:0_17:1_18:1)+NH4 3620540.81 3710790.25 4718287.48 3411291.11 3424910.20 3533187.71 3971195.75 3798262.62 3808814.99 4910417.81 4923735.54 5018562.10 4676664.31 3424091.76 4438964.68 3635187.63 4807257.76 3665698.44 4277636.50 4615105.11 5591027.90 4882074.31 4319371.61 3512759.41 TG(16:0_18:1_18:1)+NH4 6734266.09 5901461.83 7276472.42 9105780.05 5273308.59 7193522.79 7377129.76 7891968.94 7016521.92 9081503.47 7648874.64 8201011.05 5398023.55 5404172.32 5397275.45 7049732.86 7121007.56 6937690.59 6697592.31 6914074.60 5885401.76 7568941.28 6673698.92 5231916.24 TG(16:0_18:2_18:2)+NH4 2464193.11 2670993.18 2759856.95 2589931.61 3123761.03 3317937.82 2754425.26 3367360.62 3170725.13 3193450.79 2636451.91 4285459.28 2579314.96 2988358.58 3273136.44 2554787.29 2485476.62 3260828.33 2464784.95 3174510.09 3382345.25 2938824.22 2962045.94 3158528.89 TG(16:0_8:0_16:0)+NH4 1338632.79 1230852.06 1094300.87 1119204.58 1387567.99 1409233.59 1225702.57 1072574.82 1034198.36 1018469.61 1109165.28 1524724.87 1045154.28 1048734.94 1472217.34 1201222.62 1301537.81 1006402.92 1245381.91 981373.28 1062799.89 1392514.70 1554665.42 1587340.47 TG(16:1_12:0_16:1)+NH4 1693006.26 1442419.43 1461273.17 1821204.16 1441018.11 1822320.27 1457706.28 2138768.15 1831235.16 1831734.98 1413538.59 1890756.70 1849479.57 1765301.57 1910615.69 1955433.19 2186869.52 1911487.44 1361489.10 1380689.28 1745443.47 1907735.83 1912932.03 1915187.22 TG(16:1_13:0_16:1)+NH4 1594677.99 2387796.20 2432079.91 2310023.64 2440187.02 1811284.63 2076731.88 2727239.27 1653023.87 2358051.93 1605885.47 2304276.62 1752218.20 2137017.93 1738283.69 2208536.62 2189607.84 1879525.78 2213189.32 2481647.99 2053066.53 2612882.38 2233749.77 2334578.41 TG(16:1_14:0_16:1)+NH4 5877245.46 6240896.42 6055533.57 7191779.88 6694617.85 7041188.14 7499076.75 5712494.25 5591050.81 7047229.50 6856486.46 5982664.32 7116413.22 5318244.65 5458571.38 7310243.44 7620434.96 5778475.83 7117877.45 7278383.54 7324537.84 9979568.43 6868072.65 7772943.61 TG(16:1_14:1_16:1)+NH4 1223935.73 1348950.82 1090721.59 1025886.64 1073197.15 1167537.16 1416879.25 1712349.85 1380454.99 1337935.28 1359863.93 1473202.76 1135903.71 1056102.50 1102838.28 1239259.63 1388766.09 1349042.45 1015984.71 1135849.62 1074032.01 1328012.67 1059624.28 1363617.43 TG(16:1_16:1_16:1)+NH4 5071856.04 4865361.28 3873518.30 4795259.94 4623479.01 5289827.07 5305140.52 3867996.41 4913748.31 5143410.84 4875571.31 4124643.53 3681477.45 4893284.30 4121860.88 3900394.49 4934284.27 4031935.45 3797186.65 5067715.39 5349658.65 3804494.52 4724876.13 3964065.72 TG(16:1_16:1_17:0)+NH4 8369185.06 8798920.73 8546230.69 10798717.76 6016813.26 8801465.20 8541107.37 7110799.00 8406356.08 8716408.13 6844545.64 7455766.93 10817512.14 8251665.55 8452412.45 8896153.48 8787251.57 6560503.92 8526862.59 8460828.56 8329102.50 8729174.11 8026045.98 8270539.49 TG(16:1_16:1_17:1)+NH4 2285403.68 2346954.57 2508547.71 2754455.93 2646658.10 3027071.26 3110837.85 2302627.98 2247544.10 3667648.65 2822992.66 2670161.80 2654709.91 2170102.23 2145164.34 2809350.72 2599572.96 2300034.57 2948860.94 2809430.23 2933125.37 2804897.02 1951433.78 2723443.10 TG(16:1_16:1_18:1)+NH4 5583741.81 6084392.64 5963879.48 7131278.36 5181795.24 9216964.23 7633440.29 7881066.81 7332632.09 6938067.30 5893146.32 6342670.04 5563771.15 6808618.16 9533002.29 5677344.36 5926364.27 5732577.89 5629943.05 5457117.14 5681693.02 5674287.98 5417945.36 7443713.37 TG(16:1_16:1_18:2)+NH4 1727105.64 1187736.94 1394177.30 1312750.07 1668264.21 1298031.38 1313822.25 1731249.11 1633907.01 1272909.37 1620368.32 1383440.99 1259419.81 1249757.87 1618624.61 1265423.69 1300690.38 1727636.74 1714859.67 1851058.32 1811081.41 1327217.28 1206388.97 1295491.28 TG(16:1_17:1_18:1)+NH4 2070081.21 2186114.25 2699101.20 2016593.86 1979348.36 2117095.87 2673622.52 2132147.41 2026968.62 1937091.26 2649057.47 2914127.38 2085769.45 1958060.84 2023304.21 2082025.97 2537378.12 2165079.14 2574442.61 2180499.61 2640550.94 2513909.83 2552882.24 1972748.20 TG(16:1_8:0_23:1)+NH4 6841930.92 7169205.04 5516050.20 5058188.33 4795663.10 5159911.42 7116623.09 9164772.04 5088444.96 8665771.25 6854795.67 7282196.21 5191694.61 6657555.05 6539451.67 8855800.81 6695686.04 6908620.27 6277241.07 6804952.22 7106960.84 6680653.19 4904077.71 5149937.35 TG(17:0_18:1_18:1)+NH4 1149860.16 1179544.58 1225680.89 1163951.49 1170929.33 1023457.04 1158291.88 1238464.53 1118154.18 1174337.65 1263570.77 1208250.39 1079907.39 1110166.80 1110104.03 1118665.54 1159245.44 1064511.06 1125099.36 1130783.49 1198548.77 1574811.59 1482145.74 1108773.17 TG(18:0_16:0_16:0)+NH4 4450733.47 4293194.57 4129151.55 4307344.92 3965788.65 5362375.67 4127184.29 6049701.32 5295782.11 5623847.14 4654516.66 4750340.48 5354957.71 4422686.06 4324374.56 4174098.13 5458047.24 5054826.23 5312692.81 4470325.54 4457071.83 4209251.43 5501463.62 5148798.92 TG(18:0_16:0_18:0)+NH4 1772080.14 2170217.58 1724593.25 1768821.80 1757406.60 1725828.67 1775733.81 1924960.05 1623676.86 2342811.82 2383353.28 2438692.86 2442447.20 1720081.26 1877423.92 2375834.89 1757729.13 1706818.53 2170722.87 1782555.69 1635517.65 1729372.92 1742767.91 1686846.12 TG(18:1_18:1_18:1)+NH4 3704275.04 4857925.71 4617025.47 4512959.52 3700728.00 3508332.70 4646506.50 5193511.07 3766594.15 4013666.88 4100472.34 5420507.60 4816293.44 4519604.43 3636047.34 4707480.82 4644892.41 4617205.87 3748071.39 4595888.99 4820275.99 3760417.39 3563073.93 4930680.57 TG(18:1_18:1_18:2)+NH4 2325712.68 3169535.58 2565680.76 3227868.08 3063859.34 3071823.48 2544875.03 3426078.24 2447986.89 3052765.83 2687661.26 2859209.01 3227920.26 2302949.33 2420936.92 2262135.54 2248868.54 2343027.96 2936061.96 2610681.87 2570371.66 2550064.48 2376621.33 2461052.20 TG(18:1_18:2_18:2)+NH4 2007319.20 2673851.81 2010876.55 2453679.64 2439419.23 2782382.50 2659845.37 2056741.77 2402747.89 2631961.82 2317162.73 2726803.59 2534836.28 2049232.50 1984465.06 2548353.70 2559121.93 2594659.18 2055482.55 2107159.48 1991303.04 2396375.16 1843154.37 2568539.55 TG(18:2_18:2_18:2)+NH4 1351186.29 1386411.36 1592821.90 1649824.22 1749691.68 1311099.74 1307077.06 1688780.96 1316917.74 1331900.65 1269279.20 2064346.19 1639485.92 1243169.39 1283735.84 1593279.14 1397343.88 1346519.07 1307863.54 1298879.38 1577751.05 1788895.08 1243132.54 1632945.66 TG(25:0_15:0_15:0)+NH4 1341674.73 1608282.68 1331331.31 1269611.07 1227473.49 1223372.19 1718319.09 1812441.29 1238419.94 1734121.82 1368027.00 1395250.06 1271838.60 1372672.24 1272607.01 1361066.76 1293653.30 1311414.90 1527785.75 1322146.98 1622767.32 1724775.88 1295375.65 1686383.58 TG(25:0_16:0_16:0)+NH4 1103724.25 1195894.87 1342265.61 1190156.88 1100923.96 1401844.54 1139247.44 1681572.96 1156693.35 1583648.31 1418520.89 1213540.88 1166533.40 1381619.57 1393910.78 1548659.27 1257750.20 1375994.40 1312255.95 1633370.44 1446411.57 1509780.03 1048869.17 1414110.08 TG(26:0_16:0_16:0)+NH4 863459.39 1153207.90 884288.66 994270.20 879552.89 1241736.67 911016.51 1008460.03 1094973.45 1186606.27 879470.67 922986.45 914631.37 1030181.36 1126991.48 1102069.11 926279.58 1062402.70 891132.35 902420.15 1149683.28 1101155.02 1114040.48 1087570.62 TG(47:3)+NH4 1877412.81 1877342.53 1247477.58 1802912.76 1823914.15 1185052.97 1309640.70 1338237.71 1288865.90 1768639.04 1682755.30 1949547.86 1720671.06 1210646.27 1212716.64 1897706.24 1834267.10 1733777.56 1141930.19 1226248.24 1648937.62 1207104.82 1724946.61 1184810.81 TG(8:0_10:0_10:0)+NH4 362399.01 456274.29 369550.69 548032.52 433501.66 405777.80 498494.22 377665.65 467465.99 320281.53 393613.42 384330.92 377945.48 383588.38 435860.19 350159.30 430866.24 413405.30 404352.12 399733.02 439191.88 500965.52 340144.88 417370.38 TG(8:0_12:0_14:0)+NH4 1151946.46 1861653.81 1165091.39 1080316.35 1260490.27 1389522.74 1186150.56 1226047.38 1217348.42 1217979.88 1119019.07 1126773.32 1173796.89 1444859.12 1846551.47 1244431.80 1119991.50 1121763.26 1200508.34 1337862.24 1295340.76 1177768.99 1891640.01 1200958.06 TG(8:0_8:0_10:0)+NH4 464580.10 455499.97 481206.41 529311.10 492314.05 481095.79 562036.99 473416.48 472684.75 455137.72 471071.00 482495.19 474187.91 483853.68 464041.74 454179.81 450457.24 427342.06 491235.82 441853.98 458790.56 494344.65 435704.63 458395.03 TG(8:0_8:0_8:0)+NH4 374730.06 349371.57 240396.41 345196.52 363175.59 283808.99 384250.83 385871.43 270125.56 303334.04 348512.68 237238.96 320924.31 334744.25 292111.59 261285.80 404607.32 270065.98 382569.29 307841.07 318673.69 292061.06 274779.91 385090.06 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name LipidGroup Class m/z RT DG(15:0_16:0)+NH4 DG(31:0)+NH4 DG 572.5249 3.10 DG(16:0_14:0)+NH4 DG(30:0)+NH4 DG 558.5092 3.05 DG(16:0_16:0)+NH4 DG(32:0)+NH4 DG 586.5405 3.16 DG(16:0_16:1)+NH4 DG(32:1)+NH4 DG 584.5249 3.08 DG(16:0_18:1)+NH4 DG(34:1)+NH4 DG 612.5562 3.18 DG(16:1_16:1)+NH4 DG(32:2)+NH4 DG 582.5092 3.01 DG(18:0_16:0)+NH4 DG(34:0)+NH4 DG 614.5718 3.25 DG(18:0_18:0)+NH4 DG(36:0)+NH4 DG 642.6031 3.33 DG(18:1_18:1)+NH4 DG(36:2)+NH4 DG 638.5718 3.19 LPC(16:0)+H LPC(16:0)+H LPC 496.3398 1.51 LPC(18:1)+H LPC(18:1)+H LPC 522.3554 1.59 PC(19:0_13:0)+H PC(32:0)+H PC 734.5694 2.90 PC(34:1)+H PC(34:1)+H PC 760.5851 2.92 TG(12:0_12:0_12:0)+NH4 TG(36:0)+NH4 TG 656.5824 3.31 TG(12:0_12:0_14:0)+NH4 TG(38:0)+NH4 TG 684.6137 3.38 TG(15:0_14:0_14:0)+NH4 TG(43:0)+NH4 TG 754.6919 3.52 TG(15:0_14:0_16:0)+NH4 TG(45:0)+NH4 TG 782.7232 3.57 TG(15:0_14:0_16:1)+NH4 TG(45:1)+NH4 TG 780.7076 3.54 TG(15:0_16:0_16:0)+NH4 TG(47:0)+NH4 TG 810.7545 3.61 TG(15:0_16:0_16:1)+NH4 TG(47:1)+NH4 TG 808.7389 3.58 TG(16:0_12:0_14:0)+NH4 TG(42:0)+NH4 TG 740.6763 3.50 TG(16:0_14:0_14:0)+NH4 TG(44:0)+NH4 TG 768.7076 3.55 TG(16:0_14:0_16:0)+NH4 TG(46:0)+NH4 TG 796.7389 3.60 TG(16:0_14:0_16:1)+NH4 TG(46:1)+NH4 TG 794.7232 3.56 TG(16:0_14:0_24:0)+NH4 TG(54:0)+NH4 TG 908.8641 3.75 TG(16:0_16:0_16:0)+NH4 TG(48:0)+NH4 TG 824.7702 3.64 TG(16:0_16:0_16:1)+NH4 TG(48:1)+NH4 TG 822.7545 3.61 TG(16:0_16:0_17:0)+NH4 TG(49:0)+NH4 TG 838.7858 3.65 TG(16:0_16:0_17:1)+NH4 TG(49:1)+NH4 TG 836.7702 3.63 TG(16:0_16:0_18:1)+NH4 TG(50:1)+NH4 TG 850.7858 3.65 TG(16:0_16:0_24:0)+NH4 TG(56:0)+NH4 TG 936.8954 3.77 TG(16:0_16:1_16:1)+NH4 TG(48:2)+NH4 TG 820.7389 3.57 TG(16:0_16:1_18:1)+NH4 TG(50:2)+NH4 TG 848.7702 3.61 TG(16:0_16:1_22:0)+NH4 TG(54:1)+NH4 TG 906.8484 3.72 TG(16:0_16:1_24:0)+NH4 TG(56:1)+NH4 TG 934.8797 3.75 TG(16:0_17:0_18:1)+NH4 TG(51:1)+NH4 TG 864.8015 3.66 TG(16:0_17:1_18:1)+NH4 TG(51:2)+NH4 TG 862.7858 3.63 TG(16:0_18:1_18:1)+NH4 TG(52:2)+NH4 TG 876.8015 3.65 TG(16:0_18:2_18:2)+NH4 TG(52:4)+NH4 TG 872.7702 3.59 TG(16:0_8:0_16:0)+NH4 TG(40:0)+NH4 TG 712.6450 3.45 TG(16:1_12:0_16:1)+NH4 TG(44:2)+NH4 TG 764.6763 3.47 TG(16:1_13:0_16:1)+NH4 TG(45:2)+NH4 TG 778.6919 3.50 TG(16:1_14:0_16:1)+NH4 TG(46:2)+NH4 TG 792.7076 3.52 TG(16:1_14:1_16:1)+NH4 TG(46:3)+NH4 TG 790.6919 3.49 TG(16:1_16:1_16:1)+NH4 TG(48:3)+NH4 TG 818.7232 3.54 TG(16:1_16:1_17:0)+NH4 TG(49:2)+NH4 TG 834.7545 3.59 TG(16:1_16:1_17:1)+NH4 TG(49:3)+NH4 TG 832.7389 3.56 TG(16:1_16:1_18:1)+NH4 TG(50:3)+NH4 TG 846.7545 3.58 TG(16:1_16:1_18:2)+NH4 TG(50:4)+NH4 TG 844.7389 3.55 TG(16:1_17:1_18:1)+NH4 TG(51:3)+NH4 TG 860.7702 3.60 TG(16:1_8:0_23:1)+NH4 TG(47:2)+NH4 TG 806.7232 3.55 TG(17:0_18:1_18:1)+NH4 TG(53:2)+NH4 TG 890.8171 3.67 TG(18:0_16:0_16:0)+NH4 TG(50:0)+NH4 TG 852.8015 3.68 TG(18:0_16:0_18:0)+NH4 TG(52:0)+NH4 TG 880.8328 3.71 TG(18:1_18:1_18:1)+NH4 TG(54:3)+NH4 TG 902.8171 3.65 TG(18:1_18:1_18:2)+NH4 TG(54:4)+NH4 TG 900.8015 3.63 TG(18:1_18:2_18:2)+NH4 TG(54:5)+NH4 TG 898.7858 3.59 TG(18:2_18:2_18:2)+NH4 TG(54:6)+NH4 TG 896.7702 3.55 TG(25:0_15:0_15:0)+NH4 TG(55:0)+NH4 TG 922.8797 3.76 TG(25:0_16:0_16:0)+NH4 TG(57:0)+NH4 TG 950.9110 3.79 TG(26:0_16:0_16:0)+NH4 TG(58:0)+NH4 TG 964.9267 3.80 TG(47:3)+NH4 TG(47:3)+NH4 TG 804.7076 3.51 TG(8:0_10:0_10:0)+NH4 TG(28:0)+NH4 TG 544.4572 2.90 TG(8:0_12:0_14:0)+NH4 TG(34:0)+NH4 TG 628.5511 3.23 TG(8:0_8:0_10:0)+NH4 TG(26:0)+NH4 TG 516.4259 2.75 TG(8:0_8:0_8:0)+NH4 TG(24:0)+NH4 TG 488.3946 2.59 METABOLITES_END #END