#METABOLOMICS WORKBENCH danielabispo_20250911_112320 DATATRACK_ID:6423 STUDY_ID:ST004296 ANALYSIS_ID:AN007142 PROJECT_ID:PR002702 VERSION 1 CREATED_ON October 13, 2025, 12:06 pm #PROJECT PR:PROJECT_TITLE Global metabolomics identifies new extracellular biomarkers of PR:PROJECT_TITLE nanovibration-driven mesenchymal stem cells osteodifferentiation PR:PROJECT_SUMMARY Bone-related conditions are a leading cause of disability and rising healthcare PR:PROJECT_SUMMARY costs, prompting interest in tissue engineering solutions using mesenchymal stem PR:PROJECT_SUMMARY cells (MSC). As part of an effort to eliminate synthetic osteogenic compounds, PR:PROJECT_SUMMARY this study characterizes the metabolic adaptations of MSC to chemical-free PR:PROJECT_SUMMARY nanovibration (or nanokicking, NK)-induced osteodifferentiation. Through PR:PROJECT_SUMMARY articulation of conventional gene markers and a global metabolomics/lipidomics PR:PROJECT_SUMMARY strategy, our findings indicate successful slow-paced osteodifferentiation, PR:PROJECT_SUMMARY expressed by subtle and partially reversible intracellular changes, and PR:PROJECT_SUMMARY pronounced, largely irreversible, extracellular alterations. PR:INSTITUTE University of Aveiro PR:DEPARTMENT Chemistry PR:LABORATORY CICECO - Aveiro Institute of Materials PR:LAST_NAME Gil PR:FIRST_NAME Ana M. PR:ADDRESS CICECO, Departamento de química, Campus de Santiago, Aveiro, Portugal PR:EMAIL agil@ua.pt PR:PHONE +351 234 370 707 PR:FUNDING_SOURCE This work was developed within the scope of the CICECO-Aveiro Institute of PR:FUNDING_SOURCE Materials, UIDB/50011/2020 project (doi: 10.54499/UIDB/50011/2020), PR:FUNDING_SOURCE UIDP/50011/2020 (doi: 10.54499/UIDP/ 50011/2020) and LA/P/0006/2020 PR:FUNDING_SOURCE (doi:10.54499/LA/P/0006/2020), financed by national funds through the FCT/MCTES PR:FUNDING_SOURCE (PIDDAC). We acknowledge funds from the Foundation for Science and Technology PR:FUNDING_SOURCE through the BetterBone project (2022.04286.PTDC, doi: 10.54499/2022.04286.PTDC), PR:FUNDING_SOURCE the Portuguese National NMR Network (RNRMN), supported by Infrastructure Project PR:FUNDING_SOURCE Nº 022161 (co-financed by FEDER through COMPETE 2020, POCI and PORL and FCT PR:FUNDING_SOURCE through PIDDAC); and FCT/SPQ PhD grant (DSCB) (SFRH/BD/150655/2020, doi: PR:FUNDING_SOURCE 10.54499/SFRH/BD/150655/2020). EPSRC grant EP/P001114/1. #STUDY ST:STUDY_TITLE (MS data) Global metabolomics identifies new extracellular biomarkers of ST:STUDY_TITLE nanovibration-driven mesenchymal stem cells osteodifferentiation ST:STUDY_SUMMARY This study characterizes the metabolic adaptations of mesenchymal stem cells ST:STUDY_SUMMARY (MSCs) to chemical-free nanovibration (nanokicking, NK)-induced ST:STUDY_SUMMARY osteodifferentiation. Upon reaching the cell numbers required for metabolomic ST:STUDY_SUMMARY analysis (500,000 cells per sample for LC–MS), day 0 samples were collected in ST:STUDY_SUMMARY triplicate prior to stimulation. The remaining 24-well plates were divided into ST:STUDY_SUMMARY unstimulated controls (CTR) and NK-stimulated groups. The NK bioreactor uses the ST:STUDY_SUMMARY reverse piezoelectric effect to generate 30 nm vertical displacements at a ST:STUDY_SUMMARY frequency of 1000 Hz, providing a purely mechanical stimulus without chemical ST:STUDY_SUMMARY induction. For intracellular lipidomics, CTR and NK cells were collected in ST:STUDY_SUMMARY triplicate on days 0, 7, and 21. Through the integration of conventional ST:STUDY_SUMMARY osteogenic gene markers with global metabolomics and lipidomics analyses, our ST:STUDY_SUMMARY findings reveal that NK stimulation promotes a slow-paced osteodifferentiation ST:STUDY_SUMMARY process characterized by subtle, partially reversible intracellular changes and ST:STUDY_SUMMARY pronounced, largely irreversible extracellular alterations, highlighting the ST:STUDY_SUMMARY metabolic reprogramming underlying mechanically induced osteogenesis. ST:INSTITUTE University of Aveiro ST:DEPARTMENT Chemistry ST:LABORATORY CICECO - Aveiro Institute of Materials ST:LAST_NAME Gil ST:FIRST_NAME Ana M. ST:ADDRESS CICECO, Departamento de química, Campus de Santiago, Aveiro, Portugal ST:EMAIL agil@ua.pt ST:PHONE +351234370707 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:AGE_OR_AGE_RANGE 29 SU:WEIGHT_OR_WEIGHT_RANGE Healthy SU:GENDER Female SU:CELL_STRAIN_DETAILS Human adipose tissue-derived stem cells SU:CELL_PASSAGE_NUMBER 3 #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 - CTR_D0_S1 Sample source:hASCs | Treatment:Proliferation conditions SUBJECT_SAMPLE_FACTORS - CTR_D0_S2 Sample source:hASCs | Treatment:Proliferation conditions SUBJECT_SAMPLE_FACTORS - CTR_D0_S3 Sample source:hASCs | Treatment:Proliferation conditions SUBJECT_SAMPLE_FACTORS - CTR_D7_S1 Sample source:hASCs | Treatment:Proliferation conditions SUBJECT_SAMPLE_FACTORS - CTR_D7_S2 Sample source:hASCs | Treatment:Proliferation conditions SUBJECT_SAMPLE_FACTORS - CTR_D7_S3 Sample source:hASCs | Treatment:Proliferation conditions SUBJECT_SAMPLE_FACTORS - CTR_D21_S1 Sample source:hASCs | Treatment:Proliferation conditions SUBJECT_SAMPLE_FACTORS - CTR_D21_S2 Sample source:hASCs | Treatment:Proliferation conditions SUBJECT_SAMPLE_FACTORS - CTR_D21_S3 Sample source:hASCs | Treatment:Proliferation conditions SUBJECT_SAMPLE_FACTORS - NK_D7_S1 Sample source:hASCs | Treatment:Osteogenic conditions SUBJECT_SAMPLE_FACTORS - NK_D7_S2 Sample source:hASCs | Treatment:Osteogenic conditions SUBJECT_SAMPLE_FACTORS - NK_D7_S3 Sample source:hASCs | Treatment:Osteogenic conditions SUBJECT_SAMPLE_FACTORS - NK_D21_S1 Sample source:hASCs | Treatment:Osteogenic conditions SUBJECT_SAMPLE_FACTORS - NK_D21_S2 Sample source:hASCs | Treatment:Osteogenic conditions SUBJECT_SAMPLE_FACTORS - NK_D21_S3 Sample source:hASCs | Treatment:Osteogenic conditions #COLLECTION CO:COLLECTION_SUMMARY hAMSC were donated from Histocell (Bilbao, Spain), derived from a healthy CO:COLLECTION_SUMMARY 29-year-old female donor undergoing liposuction with written informed consent. CO:COLLECTION_PROTOCOL_ID Protocol no. E08-30 CO:SAMPLE_TYPE Stem cells CO:STORAGE_CONDITIONS -80℃ CO:TISSUE_CELL_IDENTIFICATION Adipose Tissue #TREATMENT TR:TREATMENT_SUMMARY Upon reaching the cell numbers necessary for metabolomics (> 1 million TR:TREATMENT_SUMMARY cells/sample for NMR, and 500 k cells/sample for LC-MS), day 0 cell samples were TR:TREATMENT_SUMMARY collected in triplicate prior to stimulation (Figure S2). The remaining cell TR:TREATMENT_SUMMARY culture T150 flasks (for NMR metabolomics) and 24-well plates (for MS TR:TREATMENT_SUMMARY lipidomics, Alamar blue (AB) assay and qRT-PCR) were split into unstimulated TR:TREATMENT_SUMMARY (control, CTR) and NK-stimulated groups. As previously described,[30,32] the NK TR:TREATMENT_SUMMARY bioreactor employs the reverse piezoelectric effect to induce mechanical TR:TREATMENT_SUMMARY expansions from applied voltages, enabling 30 nm vertical displacements to cell TR:TREATMENT_SUMMARY cultures at a frequency of 1000 Hz (Figure 1). To ensure consistent amplitudes TR:TREATMENT_SUMMARY across the growth surfaces while allowing for easy removal and maintenance, TR:TREATMENT_SUMMARY culture flasks/plates were firmly attached to the bioreactor using magnetic TR:TREATMENT_SUMMARY sheets. For intracellular NMR metabolomics (endometabolomics) and MS lipidomics, TR:TREATMENT_SUMMARY CTR and NK cells were trypsinized and collected in triplicate on days 0, 7 and TR:TREATMENT_SUMMARY 21 (Figure S2). The resulting cell suspensions were filtered through 100 μm TR:TREATMENT_SUMMARY pore strainers, centrifuged (300 g, 5 min, 4 °C) and rinsed twice with TR:TREATMENT_SUMMARY phosphate-buffered saline (PBS) solution. For extracellular NMR metabolomics TR:TREATMENT_SUMMARY (exometabolomics), media samples were collected on days 3, 6, 7, 10, 13, 17, 20 TR:TREATMENT_SUMMARY and 21. Blank media (not cell-exposed) was also obtained. Media and cell samples TR:TREATMENT_SUMMARY were stored (− 80 °C) until analysis. TR:CELL_MEDIA α-MEM (Gibco™ 12000063, Waltham, MA, USA) supplemented with 10% fetal bovine TR:CELL_MEDIA serum (FBS) and 1% antibiotics TR:CELL_HARVESTING Days 0, 7 and 21 TR:CELL_PCT_CONFLUENCE 100% #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Lipids were analysed by LC-MS using a Thermo Q-Exactive Orbitrap mass SP:SAMPLEPREP_SUMMARY spectrometer equipped with a heated electrospray ionization (HESI) probe and SP:SAMPLEPREP_SUMMARY interfaced with a Dionex UltiMate 3000 RSLC system (Thermo Fisher Scientific, SP:SAMPLEPREP_SUMMARY Hemel Hempstead, UK). Samples (10 µL) were injected onto a Thermo Hypersil Gold SP:SAMPLEPREP_SUMMARY C18 column (2.1 mm × 100 mm; 1.9 μm) maintained at 50 °C. Mobile phase A SP:SAMPLEPREP_SUMMARY consisted of water containing 10 mM ammonium formate and 0.1% (v/v) formic acid. SP:SAMPLEPREP_SUMMARY Mobile phase B consisted of a 90/10 (v/v) mixture of isopropanol/acetonitrile SP:SAMPLEPREP_SUMMARY containing 10 mM ammonium formate and 0.1% (v/v) formic acid. The initial SP:SAMPLEPREP_SUMMARY conditions for analysis were 65% mobile phase A, 35% mobile phase B and the SP:SAMPLEPREP_SUMMARY percentage of mobile phase B was increased from 35 to 65% over 4 min, followed SP:SAMPLEPREP_SUMMARY by 65% to 100% over 15 min, with a hold for 2 min before re-equilibration to the SP:SAMPLEPREP_SUMMARY starting conditions over 6 min. The flow rate was 400 μL/min. All samples were SP:SAMPLEPREP_SUMMARY analysed in positive and negative ionization modes over the mass-to-charge ratio SP:SAMPLEPREP_SUMMARY (m/z) range of 250 to 2,000 at a resolution of 60,000. SP:EXTRACTION_METHOD methanol-chloroform-water extraction method SP:EXTRACT_STORAGE -80℃ #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Q-Exactive Orbitrap mass spectrometer (Thermo Fisher Scientific) CH:COLUMN_NAME Thermo Hypersil Gold C18 (2.1 mm × 100 mm; 1.9 μm) CH:SOLVENT_A Water + 10 mM ammonium formate + 0.1% formic acid (v/v) CH:SOLVENT_B Isopropanol/acetonitrile (90/10, v/v) + 10 mM ammonium formate + 0.1% formic CH:SOLVENT_B acid (v/v) CH:FLOW_GRADIENT 0–4 min: 35% → 65% B; 4–19 min: 65% → 100% B; 19–21 min: 100% B CH:FLOW_GRADIENT (hold); 21–27 min: re-equilibrate to 35% B CH:FLOW_RATE 400 µL/min CH:COLUMN_TEMPERATURE 50 #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 Lipids were analyzed by LC-MS using a Thermo Q-Exactive Orbitrap mass MS:MS_COMMENTS spectrometer equipped with a heated electrospray ionization (HESI) source and MS:MS_COMMENTS interfaced with a Dionex UltiMate 3000 RSLC system. Samples (10 µL) were MS:MS_COMMENTS injected onto a Thermo Hypersil Gold C18 column (2.1 mm × 100 mm; 1.9 µm) MS:MS_COMMENTS maintained at 50 °C. Mobile phase A consisted of water containing 10 mM MS:MS_COMMENTS ammonium formate and 0.1% (v/v) formic acid, and mobile phase B consisted of MS:MS_COMMENTS 90:10 (v/v) isopropanol/acetonitrile containing the same additives. The gradient MS:MS_COMMENTS was 35% B to 65% B over 4 min, 65% B to 100% B over 15 min, held for 2 min, then MS:MS_COMMENTS re-equilibrated over 6 min. The flow rate was 400 µL/min. Data were acquired MS:MS_COMMENTS over the m/z range 250–2000 at a resolution of 60 000 in positive ion mode. MS:MS_COMMENTS Raw LC-MS data were converted to mzML format using msConvert (ProteoWizard). MS:MS_COMMENTS Progenesis QI v2.4 (Non-linear Dynamics) was used for data processing and MS:MS_COMMENTS feature assignment. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Normalized abundance MS_METABOLITE_DATA_START Samples CTR_D0_S1 CTR_D0_S2 CTR_D0_S3 CTR_D7_S1 CTR_D7_S2 CTR_D7_S3 NK_D7_S1 NK_D7_S2 NK_D7_S3 CTR_D21_S1 CTR_D21_S2 CTR_D21_S3 NK_D21_S1 NK_D21_S2 NK_D7_S3 Factors Sample source:hASCs | Treatment:Proliferation conditions Sample source:hASCs | Treatment:Proliferation conditions Sample source:hASCs | Treatment:Proliferation conditions Sample source:hASCs | Treatment:Proliferation conditions Sample source:hASCs | Treatment:Proliferation conditions Sample source:hASCs | Treatment:Proliferation conditions Sample source:hASCs | Treatment:Osteogenic conditions Sample source:hASCs | Treatment:Osteogenic conditions Sample source:hASCs | Treatment:Osteogenic conditions Sample source:hASCs | Treatment:Proliferation conditions Sample source:hASCs | Treatment:Proliferation conditions Sample source:hASCs | Treatment:Proliferation conditions Sample source:hASCs | Treatment:Osteogenic conditions Sample source:hASCs | Treatment:Osteogenic conditions Sample source:hASCs | Treatment:Osteogenic conditions CE(20:5(5Z,8Z,11Z,14Z,17Z))_positive_mode 367292 355783 398646 272285 281347 293786 315601 323381 325230 132301 285978 122764 218523 188029 252356 Cer(d18:1/22:1(13Z))_positive_mode 194874 185049 183999 448291 491613 495761 454291 455543 497460 132005 151024 142160 208446 181154 239802 Cer(d18:1/24:1(15Z))_positive_mode 2708272 2892444 2824383 5702310 5286520 6357376 6004467 5685881 5653392 3072457 4024057 2842786 3953100 3339637 4154520 Cer(d18:2/23:0)_positive_mode 78030 70184 66301 471580 496433 507163 407212 398266 454830 180451 254970 136551 267419 221044 315881 Cer(d18:2/25:0)_positive_mode 122434 105519 110459 219164 228563 258326 262439 223035 263919 87595 120741 52420 131594 110429 137585 CL(16:0/16:0/18:0/20:4(5Z,8Z,11Z,14Z))_positive_mode 1190532 1399221 1368573 651207 621755 821578 849702 929176 894065 707090 1911527 632766 964966 841614 1342692 LysoPC(18:0/0:0)_positive_mode 3776433 4498464 4167006 3000652 3599486 3855432 4462637 5281200 4652099 2634599 1667460 2210339 2176669 2779584 3993562 LysoPC(18:1(11Z)/0:0)_positive_mode 1002795 947680 1193682 424859 398213 399208 416833 398946 311493 357816 411760 345596 471022 372489 511490 LysoPC(20:0/0:0)_positive_mode 51461 48028 49242 43714 43936 38343 40988 37929 31837 31713 29280 27248 38115 36065 42918 PC(O-14:0/16:0)_positive_mode 839477 844164 822037 637596 739955 876920 841328 876169 792353 793584 903023 737823 1141355 1009885 1224910 PC(O-14:0/16:1(9Z))_positive_mode 84819 73626 75010 193537 192616 214319 181566 173705 182891 33298 48589 19942 35423 38047 55596 PI(16:0/20:4(8Z,11Z,14Z,17Z))_positive_mode 154240 155079 131487 744320 716326 740753 797175 788713 777689 286480 382097 226186 381013 316560 439166 SM(d18:0/16:1(9Z))_positive_mode 26019761 26088191 27152250 77848974 75742124 86950502 86529033 80528542 86067871 56997330 63068165 47305688 72480016 66049666 73815945 SM(d18:1/17:0)_positive_mode 827436 807088 840030 4567827 4784188 5096592 5328584 4537301 4947131 1609408 1817180 1319800 2376824 2097652 2287335 Sphinganine_positive_mode 13489588 17432169 16078080 3712581 2660344 3438831 2701721 2897869 3418631 3944951 3083845 3604835 3531788 3594180 2813658 Sphingosine_positive_mode 451667 381130 90191 304020 349291 500903 461627 648528 656900 743108 543787 403914 918042 1147202 1047046 TG(14:0/O-18:0/20:3(5Z,8Z,11Z))_positive_mode 5630 11 6554 14932 15949 16356 11718 13932 9754 20906 46520 17079 25083 19978 27219 TG(i-16:0/10:0/19:0)_positive_mode 717216 710191 761105 720694 674893 626223 596795 587186 965783 610057 613047 636232 546961 565194 584680 Cer(d18:0/26:0)_positive_mode 28670 14887 10013 10351 14231 13219 16144 11159 9286 19562 16201 23103 9163 14821 10076 CL(16:0/16:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z))_positive_mode 956188 1012261 804845 1195360 1365976 1434003 1915869 1699638 1587730 257512 1046426 160275 481689 319860 591835 Coenzyme Q10_positive_mode 1576055 1301271 1293102 1892980 1905828 2002158 2226519 2015183 2242605 572827 1704196 670294 844735 733993 1069574 DG(14:0/24:1(15Z)/0:0)_positive_mode 11468 12170 9380 7523 9619 8967 11059 8857 16973 8123 7349 6405 11161 12725 12516 DG(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/i-22:0/0:0)_positive_mode 36367 45890 66435 473185 595871 519246 465867 570948 538681 865925 1726552 1616491 748269 704739 676914 DG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)_positive_mode 603321 602150 2355803 4196028 5214779 4427497 4157965 4676132 4575973 9461820 15175380 15550989 7542025 7703486 7321983 Docosanamide_positive_mode 10704 10185 9101 65047 62365 59606 54726 53196 51285 101359 140539 105583 85528 93433 97226 LysoPC(20:1(11Z)/0:0)_positive_mode 49109 42299 90093 35529 29672 35657 42354 36276 49458 20423 46497 17896 32197 19250 28235 LysoPE(20:0/0:0)_positive_mode 42810 57826 55250 66413 44630 54069 53219 50434 58491 15705 6541 5916 28474 19267 31000 LysoPE(P-18:0/0:0)_positive_mode 6462 6547 8069 12254 9362 9744 12997 6534 6306 41080 22990 35368 31603 40356 37522 PC(P-16:0/14:0)_positive_mode 181941 146031 164035 253803 249538 296568 331559 255309 204912 147031 211197 170383 238488 241789 259196 PE(P-16:0/22:1(13Z))_positive_mode 111498 113335 124878 148109 145097 140164 137772 132722 129708 80412 155722 85045 121998 122582 132268 PI(18:0/20:3(8Z,11Z,14Z))_positive_mode 197892 166873 153913 327880 380743 422544 432930 434014 472763 354790 386070 263474 515281 445148 594515 TG(14:0/15:0/24:0)_positive_mode 461117 451644 428680 324243 358118 365854 279077 361903 376538 415594 483771 546839 315107 366461 363796 TG(24:1(15Z)/15:0/18:2(9Z,12Z))_positive_mode 199041 241047 226757 277604 269424 259715 256332 229881 239393 293566 611917 373338 365538 287405 380449 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Compound m/z Retention time (min) Accepted Compound ID CE(20:5(5Z,8Z,11Z,14Z,17Z))_positive_mode 15.96_670.5689n 709.5321 15.96 HMDB0006731 Cer(d18:1/22:1(13Z))_positive_mode 13.04_619.5916n 642.5794 13.04 HMDB0011775 Cer(d18:1/24:1(15Z))_positive_mode 13.75_647.6210n 670.6099 13.75 HMDB0004953 Cer(d18:2/23:0)_positive_mode 13.37_633.6065n 656.5958 13.37 LMSP02010030 Cer(d18:2/25:0)_positive_mode 14.11_661.6373n 684.6265 14.11 LMSP02010172 CL(16:0/16:0/18:0/20:4(5Z,8Z,11Z,14Z))_positive_mode 16.85_1429.0080n 1447.0419 16.85 HMDB0056403 LysoPC(18:0/0:0)_positive_mode 6.30_523.3651n 524.3698 6.3 HMDB0010384 LysoPC(18:1(11Z)/0:0)_positive_mode 5.80_521.3479n 522.3552 5.8 HMDB0010385 LysoPC(20:0/0:0)_positive_mode 7.02_551.3951n 552.4024 7.02 HMDB0010390 PC(O-14:0/16:0)_positive_mode 10.73_691.5520n 692.5593 10.73 HMDB0013341 PC(O-14:0/16:1(9Z))_positive_mode 10.00_690.5428m/z 690.5428 10 HMDB0013402 PI(16:0/20:4(8Z,11Z,14Z,17Z))_positive_mode 9.79_858.5240n 876.5578 9.79 HMDB0009790 SM(d18:0/16:1(9Z))_positive_mode 10.13_702.5667n 703.574 10.13 HMDB0013464 SM(d18:1/17:0)_positive_mode 10.60_716.5832n 717.5904 10.6 HMDB0240609 Sphinganine_positive_mode 4.39_301.2974n 302.3052 4.39 HMDB0000269 Sphingosine_positive_mode 5.18_322.2710m/z 322.271 5.18 HMDB0000252 TG(14:0/O-18:0/20:3(5Z,8Z,11Z))_positive_mode 17.74_842.7727n 865.7619 17.74 HMDB0042943 TG(i-16:0/10:0/19:0)_positive_mode 16.48_764.6905n 782.7244 16.48 HMDB0103571 Cer(d18:0/26:0)_positive_mode 15.27_702.6732m/z 702.6732 15.27 HMDB0011771 CL(16:0/16:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z))_positive_mode 16.92_1455.0199n 1473.0537 16.92 HMDB0056404 Coenzyme Q10_positive_mode 15.71_862.6830n 885.6722 15.71 HMDB0001072 DG(14:0/24:1(15Z)/0:0)_positive_mode 14.26_673.5733m/z 673.5733 14.26 HMDB0007036 DG(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/i-22:0/0:0)_positive_mode 14.52_714.5831n 753.5463 14.52 HMDB0300507 DG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)_positive_mode 14.43_698.5877n 721.5769 14.43 HMDB0007607 Docosanamide_positive_mode 8.61_339.3499n 340.3572 8.61 HMDB0000583 LysoPC(20:1(11Z)/0:0)_positive_mode 6.41_550.3860m/z 550.386 6.41 HMDB0010391 LysoPE(20:0/0:0)_positive_mode 5.95_509.3489n 510.3562 5.95 HMDB0011511 LysoPE(P-18:0/0:0)_positive_mode 6.69_466.3291m/z 466.3291 6.69 HMDB0240598 PC(P-16:0/14:0)_positive_mode 10.65_690.5441m/z 690.5441 10.65 HMDB0011203 PE(P-16:0/22:1(13Z))_positive_mode 11.57_758.6046m/z 758.6046 11.57 HMDB0011356 PI(18:0/20:3(8Z,11Z,14Z))_positive_mode 10.95_888.5729n 906.6067 10.95 LMGP06010855 TG(14:0/15:0/24:0)_positive_mode 18.17_876.8151n 899.8043 18.17 HMDB0042097 TG(24:1(15Z)/15:0/18:2(9Z,12Z))_positive_mode 17.93_926.8311n 949.8203 17.93 HMDB0051934 METABOLITES_END #END