#METABOLOMICS WORKBENCH KathrynWolhuter_20250911_220649 DATATRACK_ID:6424 STUDY_ID:ST004202 ANALYSIS_ID:AN006988 PROJECT_ID:PR002646 VERSION 1 CREATED_ON September 15, 2025, 5:35 pm #PROJECT PR:PROJECT_TITLE Multi-omic Analysis of PHACTR1 Signaling Networks PR:PROJECT_SUMMARY Genetic studies have consistently linked the PHACTR1 gene to a range of vascular PR:PROJECT_SUMMARY and neurological diseases, underscoring its pivotal role in biology. However, PR:PROJECT_SUMMARY the full spectrum of PHACTR1-mediated signaling pathways remains largely PR:PROJECT_SUMMARY unexplored. To bridge this gap, we employed a multi-omic integration pipeline PR:PROJECT_SUMMARY leveraging a toolbox of bioinformatic techniques to identify disruptions in PR:PROJECT_SUMMARY biologically relevant pathways. By generating and integrating transcriptomic, PR:PROJECT_SUMMARY proteomic, metabolomic, and lipidomic datasets from HT1080 cells with PHACTR1 PR:PROJECT_SUMMARY overexpression or knockdown, we reveal the broad scope of PHACTR1 signaling. PR:PROJECT_SUMMARY This integrated approach has uncovered new roles for PHACTR1 in regulating the PR:PROJECT_SUMMARY cell cycle, iron homeostasis, and mitochondrial biogenesis and bioenergetics. PR:PROJECT_SUMMARY Our findings deepen our understanding of PHACTR1’s functions and showcase the PR:PROJECT_SUMMARY power of multi-omics approaches to dissect complex disease mechanisms. PR:INSTITUTE Victor Chang Cardiac Research Institute PR:DEPARTMENT Vascular Biology PR:LABORATORY Kovacic PR:LAST_NAME Wolhuter PR:FIRST_NAME Kathryn PR:ADDRESS Lowy Packer Building, 405 Liverpool St, Darlinghurst NSW 2010 PR:EMAIL k.wolhuter@victorchang.edu.au PR:PHONE +61 (02) 9295 8625 #STUDY ST:STUDY_TITLE Targeted lipidomics of PHACTR1 overexpressing and knockdown HT1080 stable cell ST:STUDY_TITLE lines ST:STUDY_SUMMARY The PHACTR1 gene to a range of vascular and neurological diseases, underscoring ST:STUDY_SUMMARY its pivotal role in biology. As part of a larger multi-omics study, we performed ST:STUDY_SUMMARY targeted lipidomics on stable HT1080 cell lines with overexpression or knockdown ST:STUDY_SUMMARY of PHACTR1, comparing them to scrambled control cells, to understand how PHACTR1 ST:STUDY_SUMMARY expression affects cellular lipid composition. Cell lines were generated by ST:STUDY_SUMMARY lentiviral transfection with viral particles produced in Lenti-X 293T cells. ST:STUDY_SUMMARY Stable cell lines were selected with puromycin and maintained in media ST:STUDY_SUMMARY containing the selection agent. Lipids were extracted using C4H9OH:MeOH (1:1) ST:STUDY_SUMMARY with 10mM ammonium formate containing a mixture of internal standards. NIST ST:STUDY_SUMMARY (National Institute of Standards and Technology) human plasma standard reference ST:STUDY_SUMMARY material 1950 was extracted to provide alignment of lipidomic results with ST:STUDY_SUMMARY existing literature. Targeted lipidomics to measure 737 lipid species across 43 ST:STUDY_SUMMARY classes was performed using Agilent 1290 series HPLC system and a ZORBAX eclipse ST:STUDY_SUMMARY plus C18 column (2.1x100mm 1.8?m, Agilent) combined with Agilent 6490 QQQ mass ST:STUDY_SUMMARY spectrometer in positive ion mode (ESI ) with dynamic scheduled multiple ST:STUDY_SUMMARY reaction monitoring (MRM). Quantification of lipid species was determined by ST:STUDY_SUMMARY comparison to the relevant internal standards using Masshunter (Agilent). ST:INSTITUTE Baker Heart and Diabetes Institute ST:LAST_NAME Wolhuter ST:FIRST_NAME Kathryn ST:ADDRESS Lowy Packer Building, 405 Liverpool St, Darlinghurst NSW 2010 ST:EMAIL k.wolhuter@victorchang.edu.au ST:PHONE +61474288041 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Male SU:CELL_BIOSOURCE_OR_SUPPLIER ATCC SU:CELL_STRAIN_DETAILS HT1080, RRID:CVCL_0317 #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 - knockdown_1 Sample source:HT1080 cells | Treatment:PHACTR1 knockdown RAW_FILE_NAME(Raw file name)=MP22-035_01-006_S_E01-V004_26_K.mzML SUBJECT_SAMPLE_FACTORS - knockdown_2 Sample source:HT1080 cells | Treatment:PHACTR1 knockdown RAW_FILE_NAME(Raw file name)=MP22-035_01-014_S_E01-V012_29_K.mzML SUBJECT_SAMPLE_FACTORS - knockdown_3 Sample source:HT1080 cells | Treatment:PHACTR1 knockdown RAW_FILE_NAME(Raw file name)=MP22-035_01-016_S_E01-V013_27_K.mzML SUBJECT_SAMPLE_FACTORS - knockdown_4 Sample source:HT1080 cells | Treatment:PHACTR1 knockdown RAW_FILE_NAME(Raw file name)=MP22-035_01-023_S_E01-V020_28_K.mzML SUBJECT_SAMPLE_FACTORS - knockdown_5 Sample source:HT1080 cells | Treatment:PHACTR1 knockdown RAW_FILE_NAME(Raw file name)=MP22-035_01-040_S_E01-V036_30_K.mzML SUBJECT_SAMPLE_FACTORS - knockdown_6 Sample source:HT1080 cells | Treatment:PHACTR1 knockdown RAW_FILE_NAME(Raw file name)=MP22-035_01-048_S_E01-V043_25_K.mzML SUBJECT_SAMPLE_FACTORS - scrm_1 Sample source:HT1080 cells | Treatment:scrambled control RAW_FILE_NAME(Raw file name)=MP22-035_01-009_S_E01-V007_21_S.mzML SUBJECT_SAMPLE_FACTORS - scrm_2 Sample source:HT1080 cells | Treatment:scrambled control RAW_FILE_NAME(Raw file name)=MP22-035_01-025_S_E01-V022_23_S.mzML SUBJECT_SAMPLE_FACTORS - scrm_3 Sample source:HT1080 cells | Treatment:scrambled control RAW_FILE_NAME(Raw file name)=MP22-035_01-030_S_E01-V027_24_S.mzML SUBJECT_SAMPLE_FACTORS - scrm_4 Sample source:HT1080 cells | Treatment:scrambled control RAW_FILE_NAME(Raw file name)=MP22-035_01-032_S_E01-V028_22_S.mzML SUBJECT_SAMPLE_FACTORS - scrm_5 Sample source:HT1080 cells | Treatment:scrambled control RAW_FILE_NAME(Raw file name)=MP22-035_01-034_S_E01-V030_19_S.mzML SUBJECT_SAMPLE_FACTORS - scrm_6 Sample source:HT1080 cells | Treatment:scrambled control RAW_FILE_NAME(Raw file name)=MP22-035_01-035_S_E01-V031_20_S.mzML SUBJECT_SAMPLE_FACTORS - overexpressor_1 Sample source:HT1080 cells | Treatment:PHACTR1 overexpressor RAW_FILE_NAME(Raw file name)=MP22-035_01-007_S_E01-V005_15_O.mzML SUBJECT_SAMPLE_FACTORS - overexpressor_2 Sample source:HT1080 cells | Treatment:PHACTR1 overexpressor RAW_FILE_NAME(Raw file name)=MP22-035_01-024_S_E01-V021_17_O.mzML SUBJECT_SAMPLE_FACTORS - overexpressor_3 Sample source:HT1080 cells | Treatment:PHACTR1 overexpressor RAW_FILE_NAME(Raw file name)=MP22-035_01-039_S_E01-V035_18_O.mzML SUBJECT_SAMPLE_FACTORS - overexpressor_4 Sample source:HT1080 cells | Treatment:PHACTR1 overexpressor RAW_FILE_NAME(Raw file name)=MP22-035_01-041_S_E01-V037_16_O.mzML SUBJECT_SAMPLE_FACTORS - overexpressor_5 Sample source:HT1080 cells | Treatment:PHACTR1 overexpressor RAW_FILE_NAME(Raw file name)=MP22-035_01-044_S_E01-V040_13_O.mzML SUBJECT_SAMPLE_FACTORS - overexpressor_6 Sample source:HT1080 cells | Treatment:PHACTR1 overexpressor RAW_FILE_NAME(Raw file name)=MP22-035_01-046_S_E01-V042_14_O.mzML #COLLECTION CO:COLLECTION_SUMMARY HT1080 cells (2 x 10 cm plate per experiment sample) were washed twice with 2 mL CO:COLLECTION_SUMMARY of ice-cold PBS. PBS was removed by aspiration and cells were collected by CO:COLLECTION_SUMMARY scraping into pre-cooled Eppendorf tubes before centrifugation at 500xg for 2 CO:COLLECTION_SUMMARY min at 4°C. Supernatants were discarded, and the resulting cell pellet was CO:COLLECTION_SUMMARY resuspended in 200 µL PBS before cell lysis by sonication (3 x 5 sec on ice). CO:COLLECTION_SUMMARY Protein concentration was measured using a standard bicinchoninic acid (BCA) CO:COLLECTION_SUMMARY assay and samples were diluted to 5 mg/mL prior to lipid extraction. CO:SAMPLE_TYPE Cultured cells CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY HT1080 stable cell lines with PHACTR1 gene overexpression or knockdown and TR:TREATMENT_SUMMARY scrambled controls were made by lentiviral transfection. The PHACTR1 TR:TREATMENT_SUMMARY overexpression (OE) gene construct (NM_030948.6) was cloned into the lentiviral TR:TREATMENT_SUMMARY expression vector (pLVX-EF1a-Ires-Puro, Takara Bio, #631988) and PHACTR1 siRNA TR:TREATMENT_SUMMARY knockdown (KD) construct (pSMART hEF1a with PHACTR1 siRNA, Horizon, TR:TREATMENT_SUMMARY #V3SH11240-225060755), along with the empty vector control and scrambled siRNA TR:TREATMENT_SUMMARY control (pSMART hEF1a with non-targeting control, Horizon, #DHA-VSC11) plasmids, TR:TREATMENT_SUMMARY were transfected into Lenti-X 293T cells (Takara, # Cat#632180) using the TR:TREATMENT_SUMMARY Lenti-X Packaging Single Shots system (Takara, #631275). Transfected cells were TR:TREATMENT_SUMMARY cultured in DMEM with 10% Tet System Approved FBS (Takara, # 631106) for 48 TR:TREATMENT_SUMMARY hours. Cell culture media containing lentiviral particles for each plasmid were TR:TREATMENT_SUMMARY harvested and combined with 8 µg/mL polybrene before addition to HT1080 cells. TR:TREATMENT_SUMMARY Cells were incubated at 32°C, 5% CO2 for 6 hours followed by 72 hours at 37°C, TR:TREATMENT_SUMMARY 5% CO2. Transduced cells were selected by the addition of 0.4 μg/mL puromycin TR:TREATMENT_SUMMARY for 7 days. Stably transduced cell lines were maintained in complete DMEM with TR:TREATMENT_SUMMARY the addition of 0.2 μg/mL puromycin. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY All cell samples (n=6/cell line) for multi-omic analysis (bulk RNAseq, SP:SAMPLEPREP_SUMMARY untargeted proteomics, untargeted metabolomics and targeted lipidomics) were SP:SAMPLEPREP_SUMMARY generated in parallel using the same passage cells, tissue culture reagents and SP:SAMPLEPREP_SUMMARY culture conditions followed by concurrent harvesting. Cells were plated 24 hours SP:SAMPLEPREP_SUMMARY prior to harvest at 2.2 x 105 cells/mL in DMEM with 10% FBS and 0.2 μg/mL SP:SAMPLEPREP_SUMMARY puromycin for stable cell lines. SP:EXTRACTION_METHOD C₄H₉OH:MeOH (1:1) with 10mM ammonium formate #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Extracted cellular lipids were analyzed in one batch along with quality control CH:CHROMATOGRAPHY_SUMMARY samples spaced throughout. These included pooled plasma QCs (PQC) (1 in every 10 CH:CHROMATOGRAPHY_SUMMARY samples), technical QCs (TQC) (1 in every 10 samples) and NIST1950 (1 in every CH:CHROMATOGRAPHY_SUMMARY 10 samples). Samples (1 µL) were separated on an Agilent 1290 series HPLC CH:CHROMATOGRAPHY_SUMMARY system and a ZORBAX eclipse plus C18 column (2.1 x 100 mm 1.8 μm, Agilent) with the CH:CHROMATOGRAPHY_SUMMARY thermostat set at 60°C. The solvent system consisted of Solvent A) H2O:ACN:IPA CH:CHROMATOGRAPHY_SUMMARY (50:30:20) with 10 mM ammonium formate and solvent B) H2O:ACN:IPA (1:9:90) CH:CHROMATOGRAPHY_SUMMARY containing 10 mM ammonium formate with lipid elution using a stepped linear CH:CHROMATOGRAPHY_SUMMARY gradient at 0.4 mL/min with a 15 min cycle time per sample. The gradient was as CH:CHROMATOGRAPHY_SUMMARY follows: starting at 10% B and increasing to 45% B over 2.7 min, then to 53% CH:CHROMATOGRAPHY_SUMMARY over 0.1 min, to 65% over 6.2 min, to 89% over 0.1 min, to 92% over 1.9 min and CH:CHROMATOGRAPHY_SUMMARY finally to 100% over 0.1 min. The solvent was then held at 100% B for 0.8 min CH:CHROMATOGRAPHY_SUMMARY (total 11.9 min). Equilibration was as follows: solvent was decreased from 100% CH:CHROMATOGRAPHY_SUMMARY B to 10% B over 0.1 min and held for an additional 0.9 min. Flow rate was then CH:CHROMATOGRAPHY_SUMMARY switched to 0.6 mL/min for 1 min before returning to 0.4 mL/min over 0.1 min. CH:CHROMATOGRAPHY_SUMMARY Solvent B was held at 10% B for a further 0.9 min at 0.4 mL/min for a total CH:CHROMATOGRAPHY_SUMMARY cycle time of 15 min. CH:CHROMATOGRAPHY_TYPE Normal phase CH:INSTRUMENT_NAME Agilent 1290 CH:COLUMN_NAME Agilent ZORBAX Eclipse Plus C18 (100 x 2.1 mm, 1.8 μm) CH:SOLVENT_A 50% Water/30% Acetonitrile/20% Isopropanol; 10mM Ammonium formate CH:SOLVENT_B 90% Isopropanol/1% Water/9% Acetonitrile; 10mM Ammonium formate CH:FLOW_GRADIENT stepped linear gradient CH:FLOW_RATE 0.4 mL/min CH:COLUMN_TEMPERATURE 60°C #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6490 QQQ MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Mass spectrometry analysis was performed on an Agilent 6490 QQQ mass MS:MS_COMMENTS spectrometer in positive ion mode (ESI+) with dynamic scheduled multiple MS:MS_COMMENTS reaction monitoring (MRM). Mass spectrometry settings and MRM transitions for MS:MS_COMMENTS each lipid class, subclass, and individual species. The following mass MS:MS_COMMENTS spectrometer conditions were used; gas temperature, 150°C, gas flow rate 17 MS:MS_COMMENTS L/min, nebulizer 20 psi, Sheath gas temperature 200°C, capillary voltage 3500 V MS:MS_COMMENTS and sheath gas flow 10 L/min. Isolation widths for Q1 and Q3 were set to MS:MS_COMMENTS “unit” resolution (0.7 amu). TQCs were monitored for changes in peak area, MS:MS_COMMENTS width, and retention time to determine the performance of the LC-MS/MS analysis. MS:MS_COMMENTS Quantification of lipid species was determined by comparison to the relevant MS:MS_COMMENTS internal standards as previously described.65 In brief, peaks were integrated MS:MS_COMMENTS using Masshunter (Agilent) and peak areas were reported. Areas were put through MS:MS_COMMENTS a QC pipeline followed by background subtractions (mean concentration of each MS:MS_COMMENTS lipid species present in blank samples) and concentrations (pmol lipid/mg of MS:MS_COMMENTS cell homogenate) were calculated post-QC. Significantly changed features were MS:MS_COMMENTS identified with Benjamini-Hochberg FDR<0.1 against scrm ctrl. Only lipids with MS:MS_COMMENTS HMDB and/or PubChem IDs were used for pathway analysis. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS pmol/mg MS_METABOLITE_DATA_START Samples overexpressor_5 overexpressor_6 overexpressor_1 overexpressor_4 overexpressor_2 overexpressor_3 scrm_5 scrm_6 scrm_1 scrm_4 scrm_2 scrm_5 knockdown_6 knockdown_1 knockdown_3 knockdown_4 knockdown_2 knockdown_5 Factors Sample source:HT1080 cells | Treatment:PHACTR1 overexpressor Sample source:HT1080 cells | Treatment:PHACTR1 overexpressor Sample source:HT1080 cells | Treatment:PHACTR1 overexpressor Sample source:HT1080 cells | Treatment:PHACTR1 overexpressor Sample source:HT1080 cells | Treatment:PHACTR1 overexpressor Sample source:HT1080 cells | Treatment:PHACTR1 overexpressor Sample source:HT1080 cells | Treatment:scrambled control Sample source:HT1080 cells | Treatment:scrambled control Sample source:HT1080 cells | Treatment:scrambled control Sample source:HT1080 cells | Treatment:scrambled control Sample source:HT1080 cells | Treatment:scrambled control Sample source:HT1080 cells | Treatment:scrambled control Sample source:HT1080 cells | Treatment:PHACTR1 knockdown Sample source:HT1080 cells | Treatment:PHACTR1 knockdown Sample source:HT1080 cells | Treatment:PHACTR1 knockdown Sample source:HT1080 cells | Treatment:PHACTR1 knockdown Sample source:HT1080 cells | Treatment:PHACTR1 knockdown Sample source:HT1080 cells | Treatment:PHACTR1 knockdown Sph(d18:1) 14 18 70 17 14 22 63 58 70 82 64 31 12 35 39 11 50 43 dhCer(d18:0/16:0) 48 49 52 42 44 36 45 41 38 39 39 35 36 35 35 28 32 29 dhCer(d18:0/18:0) 1 1 1 0 1 0 0 1 0 1 0 1 1 1 1 1 0 1 dhCer(d18:0/20:0) 0 1 0 2 3 1 1 0 2 1 1 0 0 0 0 0 0 1 dhCer(d18:0/22:0) 4 3 3 6 5 5 5 4 10 4 4 4 3 4 4 2 3 5 dhCer(d18:0/24:0) 19 15 20 19 17 17 18 16 20 21 19 15 18 20 15 13 16 15 dhCer(d18:0/24:1) 15 15 15 14 13 10 17 17 21 17 15 11 14 15 15 10 11 15 Cer(d16:1/16:0) 9 10 11 11 11 9 9 8 8 10 9 7 9 10 6 6 10 10 Cer(d16:1/18:0) 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 Cer(d16:1/22:0) 1 0 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Cer(d16:1/23:0) 0 1 0 1 0 0 1 0 1 0 1 1 0 0 0 0 0 0 Cer(d16:1/24:0) 1 1 0 1 1 1 1 1 3 1 1 1 2 0 1 0 1 2 Cer(d16:1/24:1) 5 5 8 6 5 5 7 7 9 8 6 6 8 8 7 6 8 9 Cer(d17:1/16:0) 7 7 8 7 7 7 8 6 7 6 7 6 6 6 6 6 7 7 Cer(d17:1/18:0) 0 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 Cer(d17:1/22:0) 0 0 1 0 0 0 0 1 0 0 0 0 0 1 1 0 1 1 Cer(d17:1/23:0) 0 1 1 1 1 1 0 0 1 0 1 1 0 1 1 0 1 1 Cer(d17:1/24:1) 6 7 7 6 6 5 7 7 7 6 6 6 8 6 5 5 6 6 Cer(d18:1/14:0) 15 14 16 15 14 13 13 12 12 16 12 12 15 15 11 12 14 13 Cer(d18:1/16:0) 516 494 607 523 472 450 488 422 431 517 494 419 502 495 412 391 524 468 Cer(d18:1/18:0) 10 10 12 13 11 9 9 8 10 9 9 8 8 8 7 8 8 14 Cer(d18:1/19:0) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Cer(d18:1/20:0) 1 0 2 1 2 1 1 1 1 1 1 1 1 2 0 0 2 2 Cer(d18:1/21:0) 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 Cer(d18:1/22:0) 12 12 18 14 13 11 21 18 25 19 21 15 23 21 17 15 23 18 Cer(d18:1/23:0) 3 3 5 3 3 3 5 4 7 5 5 4 4 4 4 3 5 4 Cer(d18:1/24:0) 45 45 63 45 44 38 58 53 33 59 60 44 68 66 51 44 68 56 Cer(d18:1/24:1) 118 118 105 118 114 107 161 147 137 178 177 134 198 129 102 127 134 170 Cer(d18:1/26:0) 6 6 3 2 2 1 1 1 4 1 1 2 2 2 1 0 2 1 Cer(d18:2/14:0) 2 3 2 3 2 2 2 2 2 3 2 2 3 3 1 2 3 3 Cer(d18:2/16:0) 68 64 83 73 65 60 71 67 62 75 69 57 68 71 59 50 71 62 Cer(d18:2/18:0) 4 3 4 4 3 2 3 2 2 3 3 2 2 3 2 2 2 3 Cer(d18:2/20:0) 0 1 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 0 Cer(d18:2/21:0) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Cer(d18:2/22:0) 8 9 12 9 8 8 16 12 12 12 13 11 15 13 12 10 14 12 Cer(d18:2/23:0) 3 3 4 5 3 2 4 3 3 4 5 4 4 4 3 3 4 4 Cer(d18:2/24:0) 33 34 42 34 31 28 44 40 37 39 43 34 45 46 37 30 47 39 Cer(d18:2/24:1) 54 51 71 57 50 45 75 70 77 79 82 63 89 85 69 59 83 72 Cer(d18:2/26:0) 7 7 9 6 7 5 7 5 5 7 6 5 6 6 5 5 5 5 Cer(d19:1/16:0) 1 0 0 1 1 0 1 0 1 0 1 0 0 0 0 0 0 1 Cer(d19:1/18:0) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Cer(d19:1/24:1) 0 0 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 Cer(d20:1/24:1) 0 0 0 0 0 0 0 1 1 1 0 1 0 0 0 0 0 0 Cer(m18:0/22:0) 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 Cer(m18:0/23:0) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Cer(m18:0/24:0) 3 3 4 3 3 3 2 2 3 2 3 2 3 3 3 2 2 2 Cer(m18:0/24:1) 3 3 3 3 2 2 2 2 2 2 2 2 3 2 3 2 2 2 Cer(m18:1/18:0) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Cer(m18:1/20:0) 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 Cer(m18:1/22:0) 3 2 2 2 2 2 3 2 4 2 2 2 3 4 2 3 3 3 Cer(m18:1/23:0) 0 1 0 0 0 0 1 0 1 1 1 1 1 1 1 0 0 1 Cer(m18:1/24:0) 12 11 15 10 12 9 13 11 12 12 13 10 15 15 12 13 13 14 Cer(m18:1/24:1) 12 12 14 9 10 10 14 13 15 14 15 13 17 17 13 13 14 12 Cer1P(d18:1/16:0) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 HexCer(d16:1/18:0) 2 1 2 1 1 1 0 0 0 0 0 0 1 0 1 1 1 0 HexCer(d16:1/20:0) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 HexCer(d16:1/22:0) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 HexCer(d16:1/24:0) 6 6 6 5 5 4 4 5 5 4 5 4 4 5 4 4 4 6 HexCer(d18:1/16:0) 3867 3982 4005 3719 3570 3519 3396 3099 3232 2965 2940 2686 2463 3247 3082 2976 2878 2870 HexCer(d18:1/18:0) 17 19 20 16 17 13 12 11 10 9 10 9 10 12 10 9 10 9 HexCer(d18:1/20:0) 6 5 6 5 5 5 5 5 6 5 5 4 5 7 5 6 6 5 HexCer(d18:1/22:0) 113 109 115 105 98 96 125 104 117 102 103 95 100 118 107 107 105 102 HexCer(d18:1/24:0) 432 419 501 408 382 367 393 354 408 341 335 300 332 407 352 339 369 328 HexCer(d18:1/24:1) 355 368 383 348 324 297 391 346 367 335 340 287 316 391 343 329 334 323 HexCer(d18:2/18:0) 1 2 2 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 HexCer(d18:2/20:0) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 HexCer(d18:2/22:0) 5 5 6 5 5 5 7 6 7 7 6 6 6 7 6 6 6 6 HexCer(d18:2/24:0) 47 47 48 43 44 42 54 51 53 51 52 42 45 51 49 50 49 44 Hex2Cer(d16:1/16:0) 5 6 6 3 4 4 7 5 9 7 8 7 6 5 5 4 6 5 Hex2Cer(d16:1/24:1) 3 3 4 2 1 2 5 5 5 3 3 4 2 3 3 2 3 2 Hex2Cer(d18:1/16:0) 634 636 723 609 627 510 981 866 897 880 882 796 628 708 591 547 635 581 Hex2Cer(d18:1/18:0) 0 1 1 0 0 1 1 1 0 1 0 1 0 0 1 1 0 2 Hex2Cer(d18:1/20:0) 5 3 4 4 3 3 6 6 6 6 7 5 4 4 5 4 4 4 Hex2Cer(d18:1/22:0) 60 54 65 56 53 51 108 94 94 100 94 85 70 75 67 59 72 64 Hex2Cer(d18:1/24:0) 468 455 535 441 467 414 784 714 778 698 736 611 481 565 460 455 578 495 Hex2Cer(d18:1/24:1) 215 215 242 209 210 178 421 380 393 362 352 332 251 301 242 229 263 247 Hex2Cer(d18:2/16:0) 18 19 20 19 19 13 35 27 31 34 33 35 22 25 23 24 22 23 Hex2Cer(d18:2/18:0) 1 1 2 2 1 2 1 2 1 2 1 1 1 1 1 0 1 1 Hex2Cer(d18:2/24:1) 18 17 18 18 16 16 43 40 45 40 40 38 26 31 31 24 30 26 Hex3Cer(d18:1/16:0) 1899 1921 2147 2028 1895 1783 1163 1008 1056 1112 1041 898 909 1080 905 877 1071 967 Hex3Cer(d18:1/18:0) 203 195 225 233 236 201 110 97 108 105 118 87 82 109 98 115 109 94 Hex3Cer(d18:1/20:0) 9 13 13 9 10 13 7 7 9 8 6 5 6 4 5 7 5 7 Hex3Cer(d18:1/22:0) 233 224 251 236 206 200 176 145 178 164 173 129 140 166 150 138 168 138 Hex3Cer(d18:1/24:0) 1035 1056 1127 1125 1075 920 775 640 760 680 669 592 593 726 621 583 746 644 Hex3Cer(d18:1/24:1) 1314 1208 1493 1302 1219 1156 1047 895 958 943 943 746 838 956 852 803 945 787 GM3(d18:1/16:0) 161 163 177 178 157 153 133 130 133 130 130 108 136 179 157 136 165 145 GM3(d18:1/18:0) 5 1 3 2 4 3 4 4 2 2 4 4 2 4 3 1 2 4 GM3(d18:1/20:0) 1 1 2 1 1 3 0 0 1 5 1 1 1 4 1 4 2 0 GM3(d18:1/22:0) 31 26 26 32 22 26 36 20 32 27 37 25 39 47 44 27 40 43 GM3(d18:1/24:0) 117 105 125 115 91 95 107 92 96 103 103 81 118 149 120 112 130 113 GM3(d18:1/24:1) 123 112 152 136 123 108 140 127 138 142 127 108 149 169 150 144 171 158 GM3(d18:2/24:1) 45 42 62 32 49 53 74 55 61 61 63 47 52 83 82 65 89 82 GM1(d18:1/16:0) 18 13 15 19 11 16 18 13 15 17 17 10 14 21 15 13 17 10 SHexCer(d18:1/16:0(OH)) 2 2 1 2 1 2 1 1 1 2 0 1 1 1 2 2 2 3 SHexCer(d18:1/16:0) 2 1 1 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 SHexCer(d18:1/24:0) 0 0 1 1 1 0 0 0 1 1 1 0 0 0 0 0 0 1 SHexCer(d18:1/24:1(OH)) 0 0 0 0 1 0 1 1 0 0 0 0 0 1 0 0 0 0 SHexCer(d18:1/24:1) 0 0 1 1 1 0 0 0 0 2 1 1 0 2 1 0 0 1 SM(34:3) 1 1 1 1 1 1 2 2 1 2 1 1 1 2 1 1 1 1 SM(35:2) (b) 1 1 1 1 1 1 1 1 1 1 0 0 0 1 1 1 1 1 SM(36:2) (a) 31 32 32 29 26 27 29 25 25 29 27 52 23 27 22 20 25 24 SM(36:2) (b) 2 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 SM(37:1) 25 24 24 23 21 19 24 21 22 21 21 20 23 26 22 21 24 22 SM(37:2) 4 4 3 3 3 2 3 2 3 2 3 3 2 4 3 3 3 3 SM(38:3) 79 88 80 67 73 65 90 81 60 66 61 15 84 66 37 61 43 64 SM(40:3) (a) 6 7 7 6 5 5 12 10 10 10 9 10 9 9 7 8 8 8 SM(40:3) (b) 10 10 11 10 9 9 18 17 17 17 17 19 13 17 14 13 16 14 SM(40:4) 6 7 6 5 4 4 7 6 7 8 6 6 6 8 5 6 6 5 SM(41:0) 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 1 SM(41:1) (a) 0 1 0 1 0 0 1 1 0 1 1 0 1 1 0 1 1 0 SM(42:3) 142 143 152 134 125 119 248 226 231 234 225 247 214 243 195 195 208 203 SM(42:4) 14 13 15 15 13 12 24 22 23 24 22 23 18 20 17 17 20 18 SM(43:1) 59 57 61 55 48 48 55 50 52 52 51 45 53 60 49 48 55 51 SM(43:2) (b) 23 23 23 22 19 19 30 32 31 28 30 27 29 32 26 27 30 29 SM(43:2) (c) 3 4 2 4 2 3 4 4 4 3 3 4 3 3 3 3 3 2 SM(44:1) 17 16 18 15 14 14 14 13 16 13 12 10 12 14 11 12 12 12 SM(44:2) 43 42 45 41 39 36 44 41 42 41 38 34 36 41 33 34 39 35 SM(44:3) 18 18 18 17 16 15 23 21 23 22 20 18 19 20 18 18 19 17 SM(d16:1/19:0) 15 15 16 18 17 12 14 17 16 16 13 22 15 16 18 15 15 14 SM(d16:1/23:0) / SM(d17:1/22:0) 4 3 3 3 3 3 5 3 4 4 4 11 5 5 4 4 4 5 SM(d16:1/24:1) 59 59 62 53 49 49 84 78 75 79 73 102 76 83 68 68 76 72 SM(d17:1/14:0) 3 3 3 4 3 3 4 3 3 3 3 4 3 4 3 3 4 3 SM(d17:1/16:0) 193 190 207 183 168 162 215 189 195 195 195 181 188 206 174 179 195 181 SM(d17:1/24:1) 79 82 89 79 72 71 138 125 123 129 125 118 122 140 111 111 128 115 SM(d18:0/14:0) 30 29 31 30 26 24 31 29 31 27 27 24 23 26 22 23 24 22 SM(d18:0/16:0) 773 762 833 774 695 666 861 790 814 797 808 706 592 703 606 592 672 622 SM(d18:0/22:0) 14 14 13 16 12 10 15 10 15 13 12 12 13 15 10 10 15 11 SM(d18:1/14:0) / SM(d16:1/16:0) 310 316 325 299 278 273 347 320 319 312 304 288 309 339 284 279 304 289 SM(d18:1/16:0) 6823 6923 7426 6806 6011 5775 7604 6819 6839 6915 6938 6081 7091 7308 6040 5970 6913 6346 SM(d18:1/17:0) / SM(d17:1/18:0) 52 51 60 52 50 49 75 65 64 69 66 63 52 69 60 59 67 62 SM(d18:1/18:0) / SM(d16:1/20:0) 81 77 85 74 68 67 69 64 65 75 66 121 62 73 58 57 65 67 SM(d18:1/20:0) / SM(d16:1/22:0) 21 20 22 20 17 17 25 20 21 29 23 63 20 23 18 20 20 21 SM(d18:1/22:0) / SM(d16:1/24:0) 116 113 122 111 100 99 157 142 147 150 142 202 137 155 129 134 139 129 SM(d18:1/23:0) / SM(d17:1/24:0) 30 29 31 29 26 25 35 30 31 34 31 52 30 37 28 29 31 30 SM(d18:1/24:0) 256 265 280 257 241 225 315 288 291 290 283 295 276 314 261 264 285 269 SM(d18:1/24:1) 682 678 736 657 613 580 973 890 902 885 888 863 864 948 779 789 859 821 SM(d18:2/14:0) 9 9 9 8 7 7 10 10 10 9 9 10 8 10 9 9 10 8 SM(d18:2/16:0) 591 575 616 561 514 488 705 641 677 663 640 587 613 668 562 559 619 580 SM(d18:2/17:0) 6 5 6 6 5 5 7 7 7 8 7 7 7 8 6 6 7 6 SM(d18:2/18:1) 1 1 1 2 1 1 1 1 1 2 1 3 1 1 1 1 1 2 SM(d18:2/20:0) 7 5 9 5 5 7 12 11 11 11 8 26 7 12 7 7 7 8 SM(d18:2/22:0) 17 16 16 15 14 12 26 24 25 28 25 43 23 26 23 23 23 24 SM(d18:2/23:0) 16 15 17 15 13 13 23 21 22 23 21 33 23 26 23 22 24 22 SM(d18:2/24:0) 55 58 65 58 52 46 86 83 87 85 82 87 74 88 74 70 77 74 SM(d19:1/24:1) 8 9 14 8 10 7 16 13 15 17 17 16 14 17 14 12 18 15 PA(34:1) 686 601 666 703 621 532 458 371 393 441 378 489 547 501 340 491 475 419 PA(36:1) 77 64 72 69 64 55 52 41 48 51 46 51 55 55 40 47 48 40 PA(36:2) 187 181 172 199 180 156 107 76 80 123 96 146 183 137 82 151 140 127 PA(36:3) 61 61 66 68 65 62 38 23 24 32 30 56 54 44 29 52 48 53 PA(36:4) 13 14 18 16 16 14 9 5 6 8 9 13 13 11 8 8 15 11 PA(40:6) 12 8 13 10 10 9 7 6 4 7 7 12 15 10 6 15 11 11 PC(14:0_16:0) 11254 11007 12340 10425 9967 9707 9244 8274 8347 8370 8488 6846 8312 8808 7708 7260 8429 7946 PC(14:0_20:4) 48 49 56 46 47 42 52 50 48 47 48 44 40 46 39 36 44 38 PC(14:0_22:6) 17 17 18 16 17 15 19 17 14 17 17 18 15 17 13 13 13 14 PC(15-MHDA_18:1) 572 547 611 539 506 501 713 589 600 649 634 511 544 630 556 514 582 561 PC(15-MHDA_18:2) 924 893 1010 874 811 782 1065 920 950 950 963 805 842 961 831 772 887 837 PC(15-MHDA_20:4) 51 50 59 48 47 46 81 71 71 75 71 73 59 72 60 57 61 60 PC(15-MHDA_22:6) 8 9 10 8 8 8 15 14 14 15 14 16 11 13 11 9 11 10 PC(15:0_20:3) 72 71 79 70 66 63 86 77 76 77 73 62 65 75 70 71 70 71 PC(15:0_20:4) 8 8 9 8 8 7 11 10 9 11 9 10 9 9 9 8 9 9 PC(15:0_22:6) 3 4 5 4 3 4 7 4 4 4 5 5 3 5 3 4 3 4 PC(16:0_16:0) 11847 11307 12956 11411 10599 10035 12053 11005 10636 11375 11539 9480 11067 11589 9693 8963 11253 10529 PC(16:0_18:0) 864 855 927 857 798 727 1077 992 943 1093 1119 825 1127 1089 965 886 1087 1100 PC(16:0_18:1) 45468 45368 45982 42999 42154 38478 45567 41814 42283 43660 42994 39010 36020 43457 39393 37919 41837 41742 PC(16:0_18:2) 23509 22661 24086 21738 20543 19996 15809 15559 14450 15023 14648 16025 12364 15556 14116 13491 14187 14216 PC(16:0_18:3) (a) 485 483 534 455 428 399 404 357 361 352 357 317 354 392 342 333 371 348 PC(16:0_18:3) (b) 320 305 365 291 292 267 340 315 308 303 307 255 315 341 307 289 343 308 PC(16:0_20:3) (a) 761 752 816 727 696 644 872 767 768 787 767 769 784 883 771 735 800 779 PC(16:0_20:3) (b) 237 248 253 225 222 200 291 275 255 266 266 247 273 296 263 257 262 270 PC(16:0_20:4) 1679 1692 1774 1571 1570 1496 2562 2454 2234 2504 2447 3066 1641 2137 1948 1874 1944 1920 PC(16:0_20:5) 87 74 94 78 78 74 116 85 94 97 93 127 79 89 74 70 88 89 PC(16:0_22:6) 316 311 350 300 293 262 416 399 350 420 413 507 313 344 294 294 308 311 PC(16:1_18:2) 530 520 536 486 453 431 362 304 321 314 313 284 283 329 304 285 307 296 PC(16:1_20:4) 154 154 190 145 143 138 176 167 160 175 171 164 131 155 141 124 154 131 PC(16:1_22:6) 37 36 48 38 38 35 42 35 30 40 40 35 34 34 29 27 34 35 PC(17:0_18:1) 356 358 427 338 329 296 464 478 452 444 446 382 416 425 377 351 456 400 PC(17:0_18:2) 135 140 139 124 122 112 154 139 133 141 146 114 138 149 134 125 140 140 PC(17:0_20:4) 59 53 65 53 50 51 89 80 79 84 79 75 58 77 70 65 77 69 PC(17:0_22:6) 9 8 10 9 8 7 14 12 13 12 13 11 9 13 10 11 12 10 PC(17:1_18:2) 54 53 60 49 49 47 58 49 51 50 48 45 42 48 45 42 46 45 PC(18:0_18:1) 4051 4031 4331 3873 3620 3450 4726 4336 4287 4496 4509 3692 4417 4731 4155 3920 4583 4422 PC(18:0_18:2) 14692 14828 15629 13668 13188 12110 16675 15001 15772 15126 15587 13320 16113 16928 14706 13559 15641 15055 PC(18:0_20:3) 242 240 263 230 220 203 347 320 306 331 328 302 322 347 310 291 341 312 PC(18:0_20:4) 297 264 333 251 243 250 465 430 456 463 449 564 368 403 340 323 411 359 PC(18:0_22:4) 129 122 152 125 108 106 220 193 195 196 206 162 186 208 187 176 210 193 PC(18:0_22:5) (n3) / PC(20:1_20:4) 193 193 216 187 175 163 301 275 266 278 277 232 219 260 224 210 250 233 PC(18:0_22:5) (n6) 9 10 11 10 8 9 19 19 16 18 18 17 12 15 13 12 13 14 PC(18:0_22:6) 159 158 182 154 141 135 265 249 232 255 247 254 168 217 183 184 210 199 PC(18:1_18:1) 3005 2676 3281 2611 2295 2464 3052 2688 2373 2747 2766 1974 2442 2990 2626 2392 3026 2493 PC(18:1_18:2) 1731 1695 1819 1563 1502 1435 1740 1598 1595 1623 1615 1686 1521 1700 1512 1431 1544 1494 PC(18:1_20:3) 68 57 74 64 52 57 57 53 68 68 68 48 47 53 43 42 69 51 PC(18:1_22:6) (a) 515 511 596 502 499 463 801 746 691 778 777 616 548 695 619 585 676 674 PC(18:1_22:6) (b) 9 11 9 9 10 9 14 11 9 13 14 10 11 14 12 10 10 12 PC(18:2_18:2) 48 47 46 48 43 35 59 46 45 38 43 50 37 49 49 37 49 43 PC(18:2_20:5) 57 58 72 58 54 51 57 51 50 51 51 40 36 44 40 32 46 41 PC(20:0_20:4) 18 18 19 16 16 16 26 24 23 26 22 20 21 25 24 22 24 24 PC(28:0) 1354 1309 1414 1223 1208 1119 792 718 749 691 708 608 682 769 696 671 735 696 PC(31:1) 590 573 634 548 513 500 530 479 466 462 466 385 419 462 410 395 449 422 PC(32:1) 40402 39495 41956 36693 34704 33163 25461 21749 21168 22108 21781 18139 21812 23221 20976 19670 21880 21216 PC(32:2) 2520 2429 2670 2323 2178 2039 1370 1230 1280 1222 1178 1033 1159 1320 1295 1164 1231 1189 PC(33:0) (a) 253 245 273 240 223 214 308 275 270 288 288 243 245 275 230 217 263 249 PC(33:0) (b) 137 133 155 122 119 124 174 154 148 162 154 125 137 162 136 138 161 139 PC(33:1) 2271 2202 2482 2118 1999 1920 2406 2178 2153 2231 2254 1840 1955 2158 1858 1811 2081 1936 PC(33:2) 535 509 569 489 467 448 460 418 417 405 402 347 367 414 373 343 396 364 PC(34:5) 11 11 11 10 10 9 9 9 9 8 9 8 7 8 7 7 8 7 PC(35:5) 1 1 1 1 1 1 2 1 1 2 1 2 1 2 1 1 1 1 PC(36:6) (a) 16 15 20 15 14 14 17 16 17 15 18 11 10 12 11 10 16 12 PC(38:2) 896 878 927 857 801 750 977 902 897 916 927 735 973 1038 917 847 979 963 PC(38:4) (b) 256 266 288 247 237 226 382 352 337 358 338 333 253 339 308 294 316 298 PC(38:5) (a) 1193 1183 1398 1113 1096 986 1887 1705 1664 1771 1756 1591 1459 1635 1387 1317 1507 1416 PC(38:5) (b) 51 55 60 50 47 42 81 77 69 82 83 93 64 70 59 57 63 64 PC(38:6) (a) 315 280 361 298 263 264 398 360 374 370 351 344 255 301 285 247 332 279 PC(38:7) (c) 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 PC(39:5) (a) 2 2 2 1 1 1 3 2 2 3 2 3 2 2 2 2 2 1 PC(39:5) (b) 13 13 16 13 12 12 22 21 21 22 22 19 17 19 17 16 20 17 PC(40:7) (a) 129 116 152 120 109 119 177 155 174 155 153 147 140 135 131 109 157 122 PC(40:8) 30 32 38 31 28 27 41 36 33 39 38 33 31 33 27 27 34 30 PC(42:10) 4 3 5 4 4 3 7 6 6 6 7 6 4 5 4 4 5 4 PC(42:2) 148 145 155 138 134 130 121 107 110 108 106 92 95 107 99 93 104 105 PC(42:3) 62 57 63 52 52 49 58 54 54 54 54 44 48 57 49 48 55 51 PC(42:4) 36 37 40 35 35 31 56 50 50 52 53 40 43 53 45 43 48 47 PC(42:5) (a) 23 22 24 22 20 19 32 30 29 28 31 25 25 28 25 23 27 25 PC(42:5) (b) 7 6 7 6 6 6 11 12 11 11 12 10 9 10 9 8 10 9 PC(42:6) (a) 29 29 33 28 27 25 43 41 39 40 41 34 34 38 32 30 36 32 PC(42:6) (b) 5 5 5 5 5 4 8 8 7 7 8 7 6 7 6 5 6 6 PC(42:7) 29 30 33 28 26 26 50 43 43 47 45 36 35 41 35 34 41 37 PC(42:8) 22 20 21 21 20 20 37 32 29 35 32 25 22 32 27 22 25 24 PC(42:9) 10 11 11 11 9 10 19 17 16 19 15 14 12 14 13 9 14 12 PC(44:12) 2 2 3 2 2 2 3 3 3 3 3 2 2 2 2 2 2 2 PC(44:4) (a) 6 6 7 5 6 5 8 7 7 7 7 5 4 6 6 5 7 6 PC(44:4) (b) 15 14 14 14 13 13 17 15 14 16 16 15 14 16 14 13 14 13 PC(44:5) 5 4 6 5 5 5 8 5 7 7 8 5 5 6 7 5 6 6 PC(O-16:0/16:0) 5667 5493 6071 5431 5109 4808 5643 4976 5000 5197 5159 4223 5134 5384 4706 4445 5393 4922 PC(O-16:0/20:3) 295 285 315 268 253 240 387 343 346 342 340 283 340 368 329 310 348 329 PC(O-16:0/22:6) 523 519 602 498 480 490 735 699 663 699 712 546 552 619 527 496 578 563 PC(O-18:0/18:2) 136 133 133 123 119 116 150 136 137 135 140 108 154 170 155 145 165 159 PC(O-18:0/20:4) 164 163 182 157 149 146 289 264 264 274 277 233 236 281 245 230 268 251 PC(O-18:0/22:6) 98 96 111 96 91 82 164 146 145 147 147 124 125 143 123 117 140 130 PC(O-18:1/18:1) 730 725 748 663 639 615 834 733 753 739 751 599 804 894 790 750 863 811 PC(O-18:1/18:2) 153 145 164 140 129 116 186 165 174 165 161 153 164 176 161 150 174 157 PC(O-32:1) 5133 5020 5239 4725 4437 4216 4179 3740 3833 3723 3793 3102 3787 4206 3777 3594 4054 3789 PC(O-32:2) 265 256 261 240 230 226 226 203 193 202 199 176 209 228 211 201 213 206 PC(O-34:1) 6767 6665 7148 6421 6121 5708 7459 6594 6729 6696 6667 5426 6644 7421 6646 6178 7121 6671 PC(O-34:2) 1164 1158 1223 1084 1032 975 1095 991 1037 1002 994 829 956 1147 1006 974 1096 1015 PC(O-34:4) 10 10 12 11 10 9 12 12 12 12 12 11 8 11 9 8 10 8 PC(O-36:0) 61 60 63 56 54 50 65 56 57 55 56 44 61 64 57 53 61 57 PC(O-36:5) 148 150 162 144 139 133 236 222 221 216 213 189 162 203 192 180 195 192 PC(O-38:5) 813 804 893 770 747 712 1263 1166 1143 1190 1169 1001 901 1140 1022 969 1121 1044 PC(O-40:5) 99 98 111 96 91 87 160 147 146 151 157 127 127 147 128 121 145 131 PC(O-40:7) 233 220 266 212 194 171 307 268 269 279 268 228 260 274 233 212 274 238 PC(O-42:4) (a) 3 4 5 3 3 3 5 3 5 4 4 4 3 4 4 3 4 3 PC(O-42:4) (b) 4 3 3 3 2 3 4 3 4 3 4 4 3 3 3 3 4 3 PC(O-42:5) (a) 14 14 14 13 12 11 20 19 19 18 19 18 15 18 15 14 17 15 PC(O-42:5) (b) 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 1 1 1 PC(O-42:6) 16 16 18 15 15 15 25 23 22 23 23 20 19 22 20 18 21 19 PC(O-42:7) 3 3 4 3 3 2 4 4 3 3 3 3 4 4 3 3 3 2 PC(O-42:8) 36 40 52 33 29 23 42 36 41 38 41 24 66 46 35 29 46 38 PC(O-44:6) 9 8 9 8 7 9 11 11 11 10 10 10 8 10 9 9 10 8 PC(O-44:7) 3 3 4 3 3 3 4 4 4 4 4 3 3 4 3 3 4 4 PC(O-46:7) (a) 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 PC(O-46:7) (b) 7 8 8 7 7 5 7 7 8 6 6 5 6 7 6 6 6 6 PC(O-46:8) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PC(P-15:0/20:4) (a) 2 2 3 2 2 2 3 3 3 4 3 3 2 3 2 2 2 2 PC(P-15:0/20:4) (b) 18 21 25 25 15 28 18 23 18 26 14 13 21 24 25 23 19 23 PC(P-16:0/14:0) 105 110 107 81 101 88 78 69 62 73 71 52 62 68 58 59 59 51 PC(P-16:0/16:0) 867 859 949 842 785 740 669 599 586 626 621 523 597 588 517 494 571 528 PC(P-16:0/16:1) 716 717 764 674 627 601 505 464 440 474 465 382 454 471 423 395 435 415 PC(P-16:0/18:0) 43 42 43 39 39 37 42 38 36 39 40 32 37 41 36 35 39 36 PC(P-16:0/18:1) 869 850 948 853 784 730 695 625 614 645 621 525 623 617 551 509 590 552 PC(P-16:0/18:2) 31 32 31 32 29 25 20 20 18 22 23 32 21 20 18 17 19 19 PC(P-16:0/18:3) 18 17 20 17 17 16 15 13 14 14 14 12 13 14 12 12 13 11 PC(P-16:0/20:4) 187 183 228 184 175 163 246 231 225 243 239 231 178 189 164 153 179 171 PC(P-16:0/20:5) 19 19 22 19 19 17 21 22 20 22 22 20 17 18 15 15 17 16 PC(P-16:0/22:6) 78 77 92 79 72 63 90 89 80 90 93 82 73 69 61 58 64 64 PC(P-17:0/20:4) (a) 6 6 8 7 6 6 10 10 8 11 9 10 7 8 6 6 8 6 PC(P-17:0/20:4) (b) 3 3 3 3 3 2 4 3 3 3 3 3 3 3 2 2 3 2 PC(P-18:0/18:2) 36 32 33 32 33 26 31 27 27 26 28 29 30 30 25 24 28 26 PC(P-18:0/20:4) 43 43 53 48 43 40 68 63 59 66 60 57 49 57 49 45 57 45 PC(P-18:0/22:5) 10 10 12 11 10 10 16 15 13 15 13 12 13 14 12 11 15 10 PC(P-18:0/22:6) 11 13 17 16 14 13 21 20 18 20 17 16 15 17 16 14 18 13 PC(P-18:1/18:1) 257 246 264 241 241 198 274 232 238 229 251 220 249 250 225 211 249 223 PC(P-18:1/22:6) 19 21 24 20 19 18 27 25 24 25 25 22 22 21 19 17 18 18 PC(P-20:0/20:4) 4 4 4 4 4 3 7 6 6 6 6 5 5 5 5 4 6 5 PC(P-35:2) (a) 16 16 16 15 15 13 16 14 14 15 16 15 13 13 13 12 14 13 PC(P-35:2) (b) 4 4 5 4 4 4 4 4 3 4 4 3 3 3 3 3 4 3 PC(P-36:3) 66 67 72 65 60 56 78 70 68 71 72 66 65 68 59 57 64 59 PC(P-38:5) (a) 75 77 97 88 80 72 111 101 91 108 93 86 84 87 77 71 91 71 PC(P-38:5) (b) 10 10 12 11 10 9 16 14 13 16 13 12 11 12 10 10 12 10 PC(P-42:5) 13 13 15 13 12 11 20 19 18 19 19 17 15 16 14 13 16 15 PC(P-44:5) 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 LPC(14:0) [sn1] 6 8 7 7 7 5 6 5 5 7 6 7 4 4 5 4 4 5 LPC(14:0) [sn2] 8 9 7 8 8 7 8 8 8 8 8 7 5 6 7 6 6 6 LPC(15-MHDA) [sn1] / LPC(17:0) [sn2] 2 1 2 1 2 2 2 2 3 4 3 7 2 2 2 2 2 2 LPC(15-MHDA) [sn1] [104_sn1] 1 2 2 1 2 2 3 3 1 4 2 7 1 2 1 1 2 2 LPC(15-MHDA) [sn2] 1 0 1 1 1 0 1 1 1 1 1 2 0 1 1 0 0 0 LPC(15:0) [sn2] 11 12 10 11 12 11 4 11 10 11 5 6 10 11 11 11 10 12 LPC(16:0) [sn1] 95 87 108 86 92 71 115 103 93 155 126 357 62 69 77 65 72 78 LPC(16:0) [sn2] 44 49 52 47 49 38 63 64 66 77 70 136 33 46 46 41 37 46 LPC(16:1) [sn1] 20 23 17 21 22 17 19 21 22 21 21 17 12 12 15 13 13 16 LPC(16:1) [sn2] 18 20 15 18 18 15 12 13 13 13 13 12 8 10 11 9 10 11 LPC(17:0) [sn1] 1 1 1 1 1 1 2 1 1 2 2 4 1 1 1 1 1 1 LPC(17:1) (a) [sn1] [104_sn1] 1 1 1 1 1 1 2 2 2 3 2 2 1 1 1 1 1 1 LPC(17:1) [sn1] (a) / LPC(17:1) [sn2] (b) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 LPC(17:1) [sn1] (b) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LPC(17:1) [sn2] (a) 2 2 2 2 2 2 2 2 2 2 2 2 1 1 2 1 2 1 LPC(18:0) [sn1] 30 33 27 35 22 29 24 44 31 65 40 150 15 39 30 20 34 31 LPC(18:0) [sn2] 15 16 38 11 23 14 38 16 40 37 47 57 25 17 29 19 28 31 LPC(18:1) [sn1] 59 70 76 62 65 50 93 83 87 107 95 105 48 59 67 48 62 70 LPC(18:1) [sn2] 112 127 121 112 116 92 184 160 177 177 185 157 100 107 136 101 113 121 LPC(18:2) [sn1] 3 3 2 2 2 3 2 2 2 10 3 67 1 2 1 3 2 3 LPC(18:2) [sn2] 4 5 3 3 2 3 5 4 4 10 5 48 3 3 3 4 2 4 LPC(18:3) (a) [sn1] [104_sn1] 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 LPC(18:3) [sn1] (a) / LPC(18:3) [sn2] (b) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LPC(18:3) [sn1] (b) 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 LPC(18:3) [sn2] (a) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LPC(19:0) (a) [sn1] [104_sn1] 0 0 0 0 0 0 1 0 1 0 1 1 0 0 0 0 0 1 LPC(19:0) [sn1] (a) / LPC(19:0) [sn2] (b) 0 0 0 0 0 0 1 1 1 1 1 1 0 0 0 0 1 0 LPC(19:0) [sn1] (b) 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 LPC(19:0) [sn2] (a) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LPC(19:1) (a) 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 LPC(19:1) (b) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 LPC(20:0) [sn1] 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 LPC(20:0) [sn2] 0 0 1 0 0 0 1 1 1 1 1 1 0 0 0 0 1 1 LPC(20:1) [sn1] 5 6 7 6 5 4 9 9 9 8 9 7 5 6 6 4 6 6 LPC(20:1) [sn2] 3 3 4 3 3 2 6 5 6 5 5 3 3 3 3 3 3 4 LPC(20:2) [sn1] 2 2 3 2 2 2 3 4 3 4 4 3 2 2 3 2 2 3 LPC(20:2) [sn2] 1 1 1 1 1 1 2 2 2 2 2 1 1 1 1 1 1 1 LPC(20:3) [sn1] 2 2 3 2 2 2 3 3 4 4 4 6 2 2 4 2 2 3 LPC(20:3) [sn2] 1 2 2 1 1 1 3 3 3 3 2 6 1 2 2 2 2 1 LPC(20:4) [sn1] 1 1 0 0 0 0 1 1 1 2 1 1 0 1 1 0 0 1 LPC(20:4) [sn2] 5 5 4 3 3 3 9 8 8 10 8 17 5 5 6 4 5 5 LPC(20:5) [sn1] 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 LPC(20:5) [sn2] 0 0 0 0 0 0 0 0 0 1 1 3 0 0 0 0 0 0 LPC(22:0) [sn1] 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 LPC(22:0) [sn2] 0 0 0 1 0 0 0 0 0 0 0 0 0 1 1 0 0 0 LPC(22:1) [sn1] 0 1 1 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 LPC(22:1) [sn2] 1 1 1 1 1 1 2 2 2 2 2 1 1 1 1 1 1 1 LPC(22:4) [sn1] 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 LPC(22:4) [sn2] 1 1 1 1 1 1 2 2 2 2 2 1 1 1 1 1 1 1 LPC(22:5) (n3) [sn1] [104_sn1] 0 0 0 0 0 0 1 1 0 1 1 1 0 0 0 0 0 1 LPC(22:5) [sn1] (n3) / LPC(22:5) [sn2] (n6) 1 1 1 1 1 1 1 1 2 2 1 2 1 1 1 1 1 1 LPC(22:5) [sn1] (n6) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LPC(22:5) [sn2] (n3) 2 2 2 2 1 1 3 3 3 3 3 2 2 2 2 2 2 2 LPC(22:6) [sn1] 0 0 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 LPC(22:6) [sn2] 2 3 3 3 3 2 6 6 6 7 6 7 3 3 4 3 4 3 LPC(24:0) [sn1] 1 2 2 1 1 1 2 1 2 2 1 1 1 1 1 1 2 1 LPC(24:0) [sn2] 2 2 2 1 2 2 2 1 2 2 2 1 1 1 1 1 1 1 LPC(26:0) [sn1] 8 8 9 10 8 7 6 5 4 5 4 4 3 4 3 3 4 4 LPC(26:0) [sn2] 8 9 10 7 8 8 7 7 5 5 4 5 4 4 5 3 4 5 LPC(O-16:0) 128 145 229 151 161 132 248 215 218 280 275 163 156 171 192 115 212 203 LPC(O-18:0) 30 34 51 36 35 29 56 45 47 58 63 44 46 52 50 35 59 53 LPC(O-18:1) 32 38 56 41 39 33 60 51 54 64 64 47 42 49 50 34 59 52 LPC(O-20:0) 8 9 12 10 9 8 12 10 9 12 13 9 11 10 9 9 12 11 LPC(O-20:1) 1 1 2 2 1 1 2 2 2 3 2 2 1 2 2 1 2 2 LPC(O-22:0) 20 20 22 19 17 16 21 18 19 20 19 16 19 21 19 16 20 17 LPC(O-22:1) 4 4 5 4 3 3 4 4 3 4 4 4 4 4 4 3 4 3 LPC(O-24:0) 31 31 33 28 30 27 26 20 23 25 24 19 25 25 24 24 27 25 LPC(O-24:1) 30 29 34 31 27 26 26 24 24 25 24 23 27 31 25 25 30 24 LPC(O-24:2) 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 LPC(P-16:0) 17 19 23 17 18 16 22 19 20 23 22 19 16 19 16 13 19 17 LPC(P-17:0) (a) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LPC(P-17:0) (b) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 LPC(P-18:0) 13 13 15 13 11 10 15 12 13 15 15 11 12 14 12 10 13 13 LPC(P-18:1) 3 4 5 3 4 3 4 4 5 5 4 3 3 3 3 4 4 3 LPC(P-20:0) 4 3 4 4 3 3 5 3 4 4 4 3 3 4 3 3 4 3 PE(15-MHDA_18:1) 151 150 159 132 130 130 132 116 107 118 114 94 110 108 98 92 107 101 PE(15-MHDA_18:2) 256 251 265 234 216 214 187 159 155 163 162 137 161 173 149 142 158 145 PE(15-MHDA_20:4) 29 24 30 28 21 28 32 31 33 26 28 21 26 25 23 25 29 24 PE(15-MHDA_22:6) 9 10 9 10 8 7 9 8 9 9 8 6 8 9 7 7 6 6 PE(16:0_16:0) 283 271 293 258 249 238 195 173 166 189 186 148 182 195 160 149 173 170 PE(16:0_16:1) 3330 3269 3390 3167 2988 2780 1793 1647 1693 1728 1725 1382 1448 1841 1550 1491 1577 1604 PE(16:0_18:1) 5817 5703 6229 5487 5060 4778 4108 3604 3659 3826 3769 3119 3707 4068 3444 3206 3771 3539 PE(16:0_18:2) 2488 2505 2536 2265 2086 2045 1450 1316 1305 1304 1342 1102 1390 1483 1268 1167 1302 1302 PE(16:0_18:3) (a) 104 103 104 97 89 83 57 48 46 46 43 42 54 57 50 47 47 47 PE(16:0_18:3) (b) 166 158 164 156 151 142 132 115 106 110 110 92 104 132 123 115 123 119 PE(16:0_20:3) 108 111 97 105 98 86 79 75 65 78 81 72 79 96 76 71 74 79 PE(16:0_20:4) 586 608 658 585 539 519 668 604 627 605 619 526 562 611 516 484 548 522 PE(16:0_20:5) 31 32 32 32 27 27 34 25 30 25 30 25 23 32 23 22 25 23 PE(16:0_22:6) 1178 1169 1243 1161 1102 1049 1123 996 998 1039 1038 902 833 1036 887 811 925 911 PE(16:1_18:2) 91 96 90 85 73 72 42 36 36 36 37 36 41 46 38 31 37 38 PE(16:1_20:4) 115 122 122 118 105 104 98 87 88 87 81 67 82 90 76 74 84 80 PE(17:0_18:1) 259 270 278 252 241 218 230 219 202 214 225 181 186 217 180 165 195 192 PE(17:0_18:2) 30 32 30 27 27 22 22 22 20 22 22 19 22 24 21 22 22 19 PE(17:0_20:4) 51 47 52 50 44 38 75 64 61 69 70 58 48 60 54 45 51 51 PE(17:0_22:6) 35 36 37 36 33 30 41 39 37 35 37 30 30 33 28 28 32 28 PE(18:0_18:1) 5928 5835 6395 5615 5189 4976 5057 4715 4568 4810 4867 3891 4690 5247 4377 4051 4695 4529 PE(18:0_18:2) 5025 5139 5340 4863 4593 4106 3900 3563 3433 3599 3677 3075 3729 4319 3661 3377 3728 3654 PE(18:0_20:3) (a) 522 513 555 505 461 429 494 454 441 454 459 372 447 493 413 370 432 419 PE(18:0_20:3) (b) 585 564 611 553 501 486 534 475 484 483 469 416 550 621 527 500 551 530 PE(18:0_20:4) 3279 3243 3516 3065 2905 2759 4407 3969 3893 3993 4088 3293 3310 3866 3231 2977 3434 3204 PE(18:0_22:4) 489 486 525 481 443 409 485 448 443 458 466 378 388 437 371 342 402 386 PE(18:0_22:5) (n3) 1171 1123 1259 1103 1022 987 1271 1166 1165 1158 1199 988 1022 1174 983 895 1017 1012 PE(18:0_22:5) (n6) 126 124 135 120 112 108 125 126 124 129 131 107 101 121 93 93 106 101 PE(18:0_22:6) 1776 1770 1940 1724 1597 1475 1806 1593 1638 1638 1679 1340 1423 1605 1378 1248 1454 1392 PE(18:1_18:1) 4557 4592 4874 4397 4010 3821 3324 3032 2909 3092 3036 2436 3295 3604 3062 2930 3225 3104 PE(18:1_18:2) 663 638 660 601 547 535 423 401 397 395 400 338 430 474 395 371 420 377 PE(18:1_22:6) (a) 588 596 617 576 480 472 574 521 546 568 563 456 526 568 472 471 519 467 PE(18:1_22:6) (b) 20 19 22 25 15 14 17 16 19 15 21 16 18 17 14 17 20 15 PE(20:0_20:4) 22 21 25 21 19 20 26 21 23 21 23 19 22 22 22 17 24 23 PE(36:0) 9 8 8 6 6 6 7 5 6 6 6 6 6 6 6 5 6 5 PE(38:5) (a) 1244 1234 1346 1194 1092 1013 1431 1276 1294 1317 1303 1075 1198 1386 1150 1105 1240 1211 PE(38:5) (b) 254 243 279 234 231 225 286 275 266 268 280 228 246 276 225 222 235 242 PE(O-16:0/18:2) 12 8 10 9 7 8 7 7 7 7 7 6 6 8 9 7 7 7 PE(O-16:0/20:3) 15 15 15 16 12 13 15 16 16 15 15 12 17 17 13 15 17 18 PE(O-16:0/20:4) 80 72 72 71 60 58 125 115 107 117 112 95 101 116 89 85 98 92 PE(O-16:0/22:4) 37 34 35 32 35 32 56 49 57 62 57 49 46 50 45 44 44 44 PE(O-16:0/22:6) 181 169 176 160 175 146 232 221 240 245 244 189 193 226 199 192 188 202 PE(O-18:0/20:4) 70 68 67 58 56 54 123 109 103 107 109 94 92 99 83 79 93 85 PE(O-18:0/22:5) 24 26 28 25 22 22 55 52 54 51 57 46 43 51 41 38 44 43 PE(O-18:0/22:6) 37 37 37 35 34 32 71 63 62 61 64 54 54 59 50 51 53 52 PE(O-18:1/18:2) 9 10 9 10 7 8 11 12 13 13 13 11 12 14 10 10 11 10 PE(O-18:1/22:6) 33 36 32 33 30 28 39 40 32 34 34 30 37 36 29 27 35 31 PE(O-34:1) 117 113 108 105 100 99 119 109 108 103 105 89 116 129 109 100 108 113 PE(O-36:5) 10 9 9 10 9 6 12 12 12 11 10 11 11 10 10 10 10 10 PE(O-38:5) (a) 156 156 156 148 130 131 224 209 208 210 208 173 180 194 164 160 180 168 PE(O-38:5) (b) 30 31 31 29 31 29 40 37 42 43 40 36 34 40 33 34 33 34 PE(P-15:0/20:4) (a) 6 6 5 8 6 5 8 7 5 8 7 7 5 5 5 4 6 6 PE(P-15:0/20:4) (b) 25 20 21 21 25 22 28 18 18 21 21 16 19 16 16 14 17 13 PE(P-15:0/22:6) (a) 15 18 20 18 21 15 20 17 18 13 19 17 14 22 12 16 16 14 PE(P-15:0/22:6) (b) 10 7 9 5 5 6 5 7 6 10 6 8 3 7 4 5 8 7 PE(P-16:0/18:1) 2652 2658 2725 2473 2256 2227 1434 1280 1273 1350 1346 1098 1665 1641 1398 1408 1574 1498 PE(P-16:0/18:2) 248 249 258 220 205 184 123 115 124 125 113 118 142 157 130 129 149 130 PE(P-16:0/18:3) 28 27 28 25 26 20 19 13 14 13 14 14 22 27 15 17 15 16 PE(P-16:0/20:3) (a) 364 347 360 326 318 278 266 210 234 225 234 189 286 302 235 260 269 271 PE(P-16:0/20:3) (b) 83 84 75 78 63 74 68 59 38 42 46 49 82 60 51 57 56 60 PE(P-16:0/20:4) 5914 5827 6300 5720 5298 5010 6140 5586 5262 5585 5599 4731 5724 5996 5033 4924 5587 5199 PE(P-16:0/20:5) 499 470 526 444 443 418 467 397 420 415 407 351 475 481 373 388 420 393 PE(P-16:0/22:4) 1527 1530 1611 1415 1357 1279 1624 1479 1424 1465 1497 1248 1397 1413 1199 1189 1378 1275 PE(P-16:0/22:5) (n3) 3347 3330 3497 3151 3025 2787 3161 2932 2842 2875 2884 2461 2904 3017 2532 2508 2822 2688 PE(P-16:0/22:5) (n6) 284 289 307 273 262 234 354 304 304 316 320 266 275 285 240 221 265 267 PE(P-16:0/22:6) 4322 4173 4386 3976 3776 3581 4137 3698 3590 3722 3633 3161 3693 3796 3173 3203 3565 3380 PE(P-17:0/20:4) (a) 93 93 105 90 91 80 107 99 105 110 105 85 93 105 96 85 89 92 PE(P-17:0/20:4) (b) 59 62 65 56 49 51 82 71 60 65 68 62 70 63 51 48 66 60 PE(P-17:0/22:6) (a) 70 66 65 66 59 56 66 64 72 79 76 63 68 73 53 56 64 62 PE(P-17:0/22:6) (b) 43 40 47 38 30 32 48 49 33 43 42 37 39 39 29 24 41 30 PE(P-18:0/18:1) 519 532 565 502 471 438 345 313 323 317 331 292 426 427 364 371 430 398 PE(P-18:0/18:2) 52 53 54 49 39 45 40 29 30 28 32 37 38 40 41 32 42 36 PE(P-18:0/18:3) 20 18 17 15 15 16 12 10 11 13 11 7 15 19 14 15 19 15 PE(P-18:0/20:3) (a) 80 80 83 82 74 73 74 64 64 66 59 55 85 82 74 71 75 76 PE(P-18:0/20:3) (b) 12 8 7 7 5 7 8 8 7 7 9 7 7 8 5 5 11 6 PE(P-18:0/20:4) 1237 1256 1321 1234 1155 1052 1582 1420 1332 1451 1437 1216 1553 1635 1339 1345 1505 1449 PE(P-18:0/20:5) 114 107 123 112 108 93 130 111 101 118 109 87 126 146 112 115 118 130 PE(P-18:0/22:4) 260 266 289 254 236 228 391 359 324 358 349 298 338 348 303 292 362 328 PE(P-18:0/22:5) (n3) 574 568 605 532 516 472 697 624 639 651 642 516 670 709 595 596 667 610 PE(P-18:0/22:5) (n6) 51 55 52 52 49 42 75 72 68 72 75 63 64 68 56 54 66 63 PE(P-18:0/22:6) 904 941 957 885 803 788 1047 954 925 985 964 811 1017 1068 898 877 1018 933 PE(P-18:1/18:1) (a) 502 502 519 470 446 412 349 301 301 322 319 251 396 395 358 341 358 356 PE(P-18:1/18:1) (b) 9 9 14 10 7 7 7 8 7 8 6 5 6 11 6 8 9 7 PE(P-18:1/18:2) (a) 43 41 49 36 41 36 30 21 23 23 30 28 30 30 27 25 31 30 PE(P-18:1/18:2) (b) 5 5 5 6 4 5 5 3 2 2 3 5 4 6 3 5 5 4 PE(P-18:1/18:3) 10 10 10 10 9 11 6 9 5 5 8 5 8 8 7 9 8 10 PE(P-18:1/20:3) (a) 57 58 58 50 49 50 47 44 47 48 45 34 57 57 51 39 50 47 PE(P-18:1/20:3) (b) 20 19 19 15 20 16 17 17 17 17 16 14 22 27 20 22 18 23 PE(P-18:1/20:4) (a) 776 829 886 748 671 678 982 935 888 878 850 729 956 951 835 818 912 818 PE(P-18:1/20:4) (b) 14 12 11 12 8 12 17 11 11 10 11 8 14 12 12 11 15 12 PE(P-18:1/20:5) (a) 59 77 71 59 60 60 88 65 72 63 61 53 81 73 65 73 74 68 PE(P-18:1/20:5) (b) 0 2 2 1 1 2 1 1 1 2 2 1 1 3 2 1 2 2 PE(P-18:1/22:4) 167 167 172 153 149 138 260 228 224 220 231 187 210 227 193 180 209 199 PE(P-18:1/22:5) (a) 434 428 438 410 380 364 560 502 474 491 483 401 499 512 457 419 480 458 PE(P-18:1/22:5) (b) 44 43 49 40 35 30 61 58 54 55 54 40 51 50 44 46 47 44 PE(P-18:1/22:6) (a) 686 706 738 635 607 580 793 738 702 696 678 597 735 749 607 620 697 623 PE(P-18:1/22:6) (b) 10 12 12 8 8 5 13 10 10 12 12 9 15 14 10 11 14 11 PE(P-19:0/20:4) (a) 9 10 10 10 8 8 10 8 8 9 10 9 9 10 10 6 9 8 PE(P-19:0/20:4) (b) 8 7 7 7 8 5 9 7 6 6 8 5 7 9 5 7 6 6 PE(P-20:0/18:1) 52 50 43 49 51 37 27 27 21 27 27 19 26 30 25 25 31 30 PE(P-20:0/18:2) 4 3 4 6 2 4 3 1 2 2 2 2 2 3 2 4 4 2 PE(P-20:0/20:4) 64 60 69 61 51 52 61 61 59 64 69 55 62 68 53 56 66 54 PE(P-20:0/22:6) 36 37 44 35 31 34 39 37 35 42 39 28 33 36 33 30 33 31 PE(P-20:1/20:4) 30 30 32 27 26 27 30 28 29 26 27 23 30 33 29 27 27 28 PE(P-20:1/22:6) 22 22 19 19 15 19 17 18 21 15 16 17 19 22 19 16 23 15 LPE(16:0) [sn1] 21 20 31 16 15 14 16 15 17 24 18 15 12 13 13 8 15 17 LPE(16:0) [sn2] 7 6 12 5 7 5 7 5 7 8 8 7 6 5 6 4 6 6 LPE(18:0) [sn1] 71 74 110 80 68 68 89 80 68 91 97 64 55 67 78 51 83 85 LPE(18:0) [sn2] 11 16 39 12 18 13 25 13 14 24 25 18 16 15 17 12 15 13 LPE(18:1) [sn1] 28 30 45 28 24 28 41 37 36 40 40 26 15 27 27 18 29 30 LPE(18:1) [sn2] 52 49 82 58 45 46 76 65 65 55 64 40 29 48 59 35 49 51 LPE(18:2) [sn1] 1 1 1 1 0 0 1 1 1 1 0 4 0 0 2 1 1 2 LPE(18:2) [sn2] 2 1 1 2 2 2 2 3 3 1 1 2 1 1 4 1 2 1 LPE(20:4) [sn1] 2 2 2 5 1 3 4 5 3 6 7 4 2 4 5 3 3 3 LPE(20:4) [sn2] 11 13 31 18 16 12 22 29 28 30 26 16 16 29 27 17 18 12 LPE(22:6) [sn1] 1 2 2 2 2 1 5 3 3 5 1 2 1 2 2 2 3 4 LPE(22:6) [sn2] 12 17 25 13 15 8 23 21 27 29 22 17 13 19 17 15 18 11 LPE(P-16:0) 47 51 76 51 50 45 61 49 39 61 66 39 38 51 46 35 62 45 LPE(P-18:0) 25 26 40 26 24 24 32 25 19 33 34 28 28 33 25 21 37 26 LPE(P-18:1) 8 8 11 5 7 5 8 8 8 9 10 7 8 9 8 5 9 8 LPE(P-20:0) 15 13 16 15 18 13 18 16 15 15 16 13 13 18 14 13 16 13 PI(15-MHDA_18:1) / PI(17:0_18:1) 105 101 130 79 114 88 179 157 168 161 166 114 136 148 97 95 154 102 PI(15-MHDA_18:2) / PI(17:0_18:2) 104 100 119 97 92 86 104 93 96 111 102 82 83 104 79 76 81 79 PI(15-MHDA_20:4) / PI(17:0_20:4) 98 84 108 95 93 85 84 81 74 78 92 57 71 64 65 63 77 68 PI(16:0/16:0) 129 132 151 129 125 120 138 121 125 137 124 112 110 116 100 83 112 108 PI(16:0_16:1) 515 468 500 449 415 399 292 281 269 289 266 229 270 252 221 214 248 237 PI(16:0_20:3) (a) 509 468 491 415 420 369 351 303 306 304 297 263 364 376 327 314 349 337 PI(16:0_20:3) (b) 1 1 1 0 1 0 1 0 0 0 0 1 0 2 0 0 1 1 PI(16:0_20:4) 631 626 665 577 580 511 394 361 362 415 388 325 393 366 311 330 324 321 PI(18:0_18:1) 2467 2535 2745 2383 2250 2044 3670 3315 3163 3524 3352 2792 3503 3285 2791 2752 3180 3014 PI(18:0_20:2) 1006 1043 1117 969 868 861 963 874 844 884 885 690 1159 1158 959 907 1082 996 PI(18:0_20:3) (a) 2027 2004 2202 2039 1858 1843 2210 2011 1878 2094 2059 1703 1846 2305 2062 2077 2280 2145 PI(18:0_20:3) (b) 4643 4588 4940 4096 3944 3874 4890 4475 4286 4690 4323 3632 6547 5832 5025 4799 5313 5113 PI(18:0_20:4) 8348 8124 9485 7897 7551 7115 8478 8132 7585 8259 8012 6752 8133 7978 6831 6528 7750 7055 PI(18:0_22:4) 324 298 371 275 310 265 451 401 404 444 412 328 445 393 304 316 351 331 PI(18:0_22:5) (n3) 374 357 429 382 332 345 559 517 478 571 531 400 509 515 447 410 511 463 PI(18:0_22:5) (n6) 126 126 155 139 119 117 183 185 159 184 176 155 118 172 145 134 149 156 PI(18:0_22:6) 194 175 188 173 150 158 321 288 257 268 288 241 256 262 225 214 253 245 PI(18:1_18:2) 364 383 371 365 309 293 254 209 218 220 217 192 243 226 189 200 218 201 PI(20:0_20:4) 20 26 29 12 19 19 21 19 20 26 20 14 18 17 11 17 20 16 PI(34:0) 625 637 705 663 651 594 1123 1021 971 1283 1239 999 628 930 820 751 1034 966 PI(34:1) 2535 2492 2715 2365 2269 2024 2704 2398 2286 2628 2574 2044 2288 2280 1911 1868 2240 2126 PI(36:2) 3647 3604 4013 3428 3157 3044 3508 3216 3030 3238 3145 2624 3401 3343 2891 2667 3145 2880 PI(37:6) 16 15 16 11 13 11 10 3 5 5 8 3 6 7 7 2 4 6 PI(38:5) (a) 1770 1699 1905 1612 1546 1413 1395 1235 1138 1264 1192 1083 1137 1236 1020 1002 1172 1035 PI(38:5) (b) 226 217 247 197 213 179 197 157 177 172 174 128 168 159 169 164 165 176 PI(38:6) 65 59 81 59 55 48 64 51 51 51 53 49 51 57 46 35 45 49 PI(39:6) 13 13 16 13 12 10 11 13 12 13 9 9 8 7 10 7 7 11 PIP1(38:4) 62 73 29 54 45 65 70 47 53 49 38 48 59 55 48 48 44 46 LPI(18:0) 112 109 64 104 94 82 112 148 115 126 143 25 46 54 78 29 55 42 LPI(18:1) [sn1] 42 32 42 29 37 16 40 25 28 26 45 11 16 19 30 26 23 33 LPI(18:1) [sn2] 32 25 24 22 29 18 34 37 48 35 30 12 11 16 26 11 25 23 LPI(18:2) [sn1] 3 5 8 3 8 4 2 4 5 7 4 3 3 6 8 3 7 4 LPI(18:2) [sn2] 2 3 2 4 4 5 3 6 6 5 6 2 4 6 4 2 4 5 LPI(20:4) [sn1] 6 6 3 2 4 4 3 5 4 3 6 2 3 2 3 2 1 1 LPI(20:4) [sn2] 36 35 42 36 39 37 38 52 38 44 51 17 31 39 42 17 27 17 PS(36:1) 7986 8119 8379 7720 7353 6441 8468 7826 7514 7996 7958 6543 8638 8692 7412 7286 7474 7360 PS(36:2) 1843 1857 1848 1656 1682 1432 1832 1689 1645 1699 1616 1449 1838 1869 1679 1611 1609 1599 PS(38:3) 2671 2654 2594 2593 2675 2387 3312 3295 3182 3179 3116 2745 2315 3126 2942 2977 2926 2904 PS(38:4) 242 242 235 227 224 206 357 353 357 351 331 301 325 316 285 299 296 272 PS(38:5) 95 92 92 85 98 82 111 114 105 99 93 88 96 95 101 87 95 93 PS(40:5) 2160 2173 2177 2038 2010 1840 2830 2682 2630 2707 2703 2258 2315 2515 2250 2251 2222 2254 PS(40:6) 1358 1387 1365 1289 1294 1128 1870 1765 1712 1722 1749 1448 1675 1731 1519 1474 1475 1472 PG(34:1) 1632 1553 1786 1509 1523 1386 1432 1218 1250 1444 1383 1091 1427 1497 1152 1075 1440 1268 PG(36:1) 362 389 410 353 366 347 328 269 282 323 291 235 309 318 264 262 305 268 PG(36:2) 157 126 136 136 139 112 113 93 92 116 108 74 106 120 86 97 114 107 CE(14:0) 361 319 444 439 288 313 92 380 759 428 365 317 460 517 239 190 426 284 CE(15:0) 194 127 123 169 130 79 129 245 335 132 103 198 51 228 127 66 113 11 CE(16:0) 1113 1078 1198 976 752 844 1299 1067 1537 1297 1240 1786 1209 1320 1119 971 1095 1029 CE(16:1) 87 22 187 96 5 89 137 13 931 166 96 63 35 243 72 10 79 83 CE(16:2) 8 16 0 35 0 0 19 4 8 10 29 16 8 23 9 0 19 16 CE(17:0) 44 43 70 42 36 45 64 66 80 62 67 48 49 52 48 39 35 44 CE(18:0) 102 92 105 85 84 87 132 122 133 145 122 142 117 109 99 98 126 114 CE(18:1) 486 500 679 473 390 419 658 524 754 734 633 1240 744 791 567 478 583 518 CE(18:2) 734 560 630 348 402 551 523 396 762 1657 543 8688 835 1130 781 676 553 609 CE(18:3) 55 15 62 19 27 20 47 22 42 58 17 195 32 59 48 7 26 32 CE(20:1) 47 47 51 46 38 41 57 53 68 60 58 53 61 67 47 46 61 53 CE(20:2) 24 21 31 21 18 18 24 23 33 26 32 24 36 35 23 18 30 29 CE(20:3) 49 47 73 50 43 48 85 65 91 79 79 90 93 91 68 60 80 73 CE(20:4) 290 282 381 282 212 250 370 316 371 530 410 1486 349 400 341 283 333 320 CE(20:5) 8 23 40 10 14 6 21 19 24 36 27 158 25 34 39 26 30 24 CE(22:1) 18 16 23 19 15 16 24 20 26 22 24 17 28 25 20 17 22 20 CE(22:4) 12 14 18 11 10 12 17 14 19 20 24 20 28 21 14 17 20 16 CE(22:5) 16 15 20 18 14 10 22 12 11 27 19 18 15 25 10 12 20 17 CE(22:6) 61 47 72 54 32 52 91 96 84 84 84 115 71 68 65 61 64 50 CE(24:0) 30 27 35 28 27 28 31 23 44 32 30 26 30 29 19 22 28 27 CE(24:1) 86 90 104 91 77 76 100 85 99 107 102 80 116 102 81 71 99 92 CE(24:4) 14 15 15 14 11 11 21 19 19 23 22 16 23 17 16 14 17 19 CE(24:5) 12 12 16 9 12 10 16 14 17 19 18 16 14 13 11 8 10 14 CE(24:6) 14 12 17 13 13 12 17 13 16 17 13 12 17 14 8 10 12 10 COH 85409 95125 96724 89696 82181 79583 95492 87472 94289 84027 87350 84986 80169 93258 79005 73759 86427 75248 DE(16:0) 46 47 39 44 32 13 26 35 29 15 17 37 24 26 20 38 23 19 DE(18:1) 7 9 16 10 14 6 8 2 19 10 0 19 2 7 12 7 14 10 DE(18:2) 0 0 1 0 3 1 1 9 0 0 0 17 0 0 2 5 0 1 DE(20:4) 2 1 0 1 4 1 0 1 0 1 2 4 2 0 1 0 1 5 DE(20:5) 11 11 15 0 0 1 1 36 1 0 7 20 2 1 4 28 1 1 deDE(18:2) 5 4 1 3 1 0 1 2 1 1 1 1 2 1 1 2 1 3 deDE(20:4) 2 1 1 4 0 0 2 0 1 4 1 1 1 0 0 1 1 1 methyl-CE(18:0) 8 5 27 11 19 21 17 19 49 15 17 29 3 34 5 49 5 17 methyl-CE(18:2) 7 11 0 0 1 2 6 2 1 1 18 29 0 13 1 0 0 1 methyl-CE(22:6) 2 7 3 0 0 3 3 0 3 0 2 1 3 0 0 2 0 1 methyl-DE(18:1) 5 14 8 9 8 7 8 6 10 8 7 6 9 10 7 5 9 4 dimethyl-CE(18:1) 3 2 1 8 4 1 18 5 21 19 3 2 1 8 8 11 14 9 dimethyl-CE(18:2) 80 51 77 51 29 55 73 46 84 71 49 69 44 81 53 36 44 26 dimethyl-CE(22:6) 2 3 4 1 1 0 0 1 2 4 0 2 0 1 2 3 0 0 FA(14:0) 8 7 26 2 69 74 1 6 1094 41 16 20 1 9 7 10 18 26 FA(16:1) 33 1 143 64 192 388 38 1 12092 209 199 1 1 97 2 1 53 65 FA(17:1) 2 1 48 7 52 139 26 1 2396 79 39 13 1 29 1 1 1 25 FA(18:0) 2500 166 2438 1612 879 1381 848 86 83 85 1101 3826 83 750 83 1219 897 1101 FA(18:1) 813 613 1252 950 1088 1525 1231 1207 14035 1794 1621 1687 306 808 956 713 821 1343 FA(18:3) 11 0 4 9 10 7 0 0 133 12 2 15 0 17 0 10 0 5 FA(20:2) 27 6 34 16 15 44 40 34 701 48 62 6 0 26 41 7 16 39 FA(20:3) 25 48 94 18 28 39 228 244 934 305 311 26 5 39 241 10 105 99 FA(20:4) 34 75 54 49 63 53 414 559 653 501 574 66 0 42 215 17 64 74 FA(22:4) 7 18 17 10 27 8 86 124 194 118 133 4 3 10 73 3 19 33 FA(22:5) 8 67 58 51 44 33 211 248 204 254 254 65 4 19 130 33 64 120 FA(22:6) 41 9 84 23 8 7 140 188 147 208 212 13 4 14 168 31 70 99 AC(10:0) 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 AC(12:0) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 AC(12:1) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 AC(13:0) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 AC(14:0) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 AC(14:1) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 AC(15:0) (a) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 AC(16:0) 1 1 0 1 0 0 0 0 0 0 0 1 1 0 0 1 0 0 AC(16:1) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 AC(17:0) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 AC(18:0) 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 AC(18:1) 1 1 0 1 0 1 0 0 0 0 0 1 1 1 0 1 0 0 AC(18:3) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 AC(20:3) (a) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 AC(20:4) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 AC(22:5) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 AC(22:6) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 AC(24:1) (a) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 AC(14:1)-OH 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 AC(16:1)-OH 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 BMP(16:0_16:0) 139 120 170 130 103 101 157 136 136 149 138 119 140 137 115 110 122 104 BMP(16:0_16:1) 10 12 10 11 5 10 9 11 6 7 5 7 10 6 7 7 3 11 BMP(16:0_18:0) 1 0 2 1 0 0 0 1 0 0 0 1 0 1 1 0 1 0 BMP(16:0_18:1) 1 1 2 0 1 1 4 2 1 1 1 1 2 1 2 1 2 2 BMP(16:1_18:1) 4 6 7 3 1 7 5 5 6 4 6 1 2 4 2 3 8 4 BMP(18:0_18:1) 57 57 75 50 55 47 72 62 64 56 56 41 51 66 61 52 70 56 BMP(18:1_18:1) 550 514 592 535 474 444 513 490 482 428 463 379 531 586 453 470 528 487 BMP(18:1_18:2) 62 59 78 68 55 67 56 55 47 49 52 49 59 54 49 56 56 50 BMP(18:1_22:5) 15 15 17 13 11 14 10 23 12 14 13 17 13 12 13 11 9 9 BMP(18:1_22:6) 152 148 168 142 138 147 151 146 139 137 141 122 120 134 100 104 132 115 BMP(18:2_22:6) 18 18 22 19 17 18 19 17 17 17 19 12 13 18 12 12 14 13 BMP(20:4_22:6) 6 7 8 6 9 5 8 11 9 8 11 9 4 8 6 5 7 8 BMP(22:5_22:5) 1 0 1 1 1 1 0 2 1 1 1 1 0 0 0 0 0 0 BMP(22:5_22:6) 2 1 3 1 2 3 2 2 2 3 4 2 1 1 1 1 2 1 BMP(22:6_22:6) 32 31 41 32 33 25 43 33 33 36 32 27 20 27 19 20 23 22 DG(14:0_16:0) 198 191 206 176 176 173 161 128 404 148 163 101 110 149 108 135 129 111 DG(14:0_18:2) 43 33 15 31 33 30 39 24 82 27 34 22 11 38 19 25 37 28 DG(16:0_16:0) 1025 944 1096 975 931 910 925 784 1320 892 905 657 488 824 626 686 775 746 DG(16:0_16:1) 856 899 846 744 755 754 551 447 1909 516 582 373 322 463 446 456 420 426 DG(16:0_18:1) 4442 4189 4419 3522 3576 3625 4305 3356 5041 3931 4266 3013 3121 3717 3026 3422 3267 3002 DG(16:0_20:4) 99 107 117 92 98 92 92 84 97 82 86 76 84 81 76 78 76 68 DG(16:0_22:5) 44 46 50 29 39 31 46 46 46 36 42 39 40 45 31 38 36 33 DG(16:0_22:6) 72 72 73 62 61 55 81 68 76 81 68 63 71 72 54 62 69 59 DG(16:1_18:1) 786 706 757 582 625 672 428 454 1219 414 467 305 352 448 435 418 381 337 DG(18:0_18:1) 1428 1268 1610 1223 1269 1298 1522 1413 2023 1511 1511 1109 73 1461 1118 1034 1309 1140 DG(18:0_20:4) 1240 1203 1521 1091 1093 1056 1182 1184 1352 1139 1166 876 924 1144 994 974 963 839 DG(18:1_18:1) 5285 4998 5179 4540 4945 4312 4913 4313 6353 4954 4992 3940 1501 5140 4267 4622 4855 4252 DG(18:1_18:3) 52 88 50 54 45 37 47 46 42 38 24 30 10 39 26 29 34 35 DG(18:1_20:3) 254 262 296 194 227 211 189 203 246 165 171 142 196 210 180 202 178 156 DG(18:1_20:4) 170 161 211 152 170 133 134 122 136 132 141 124 147 154 109 136 135 96 DG(18:1_20:5) 10 6 8 9 12 5 8 3 9 7 4 10 8 6 8 11 8 7 DG(18:1_22:5) 23 26 29 30 25 25 29 23 27 26 25 33 30 38 26 27 28 22 DG(18:1_22:6) 60 61 66 54 47 46 58 52 53 58 51 45 58 54 45 60 54 42 DG(18:2_18:2) 372 334 306 248 285 291 298 242 214 286 305 162 81 246 214 217 322 305 DG(18:2_20:4) 8 6 9 3 7 5 5 5 5 6 4 9 4 6 3 3 3 3 DG(18:2_22:6) 6 2 3 4 3 4 1 1 4 1 2 3 3 2 1 5 3 1 TG(51:0) [SIM] 45 41 37 31 26 36 24 19 32 30 27 19 20 33 27 27 28 31 TG(51:1) [SIM] 142 117 115 91 59 124 72 67 291 71 80 76 1 97 61 48 45 71 TG(51:2) [SIM] 1037 1032 1064 915 762 1051 822 813 1681 909 937 822 447 961 807 793 764 823 TG(54:0) [SIM] 110 77 78 79 58 104 53 42 126 58 65 46 7 51 41 48 41 55 TG(54:1) [SIM] 398 364 375 314 283 352 248 242 361 303 295 262 183 317 245 244 286 266 TG(54:6) [SIM] 4049 3884 2815 2740 1603 3051 2769 2906 2776 2078 1982 2489 801 3728 2399 2553 2274 2677 TG(54:7) [SIM] 359 215 337 250 222 329 312 195 179 333 290 354 138 289 286 233 289 296 TG(56:6) [SIM] 220 183 224 195 182 200 173 176 168 222 209 284 180 163 154 157 164 178 TG(56:7) [SIM] 252 258 206 273 211 238 220 197 141 408 162 428 351 241 132 145 161 134 TG(56:9) [SIM] 136 148 87 121 101 92 74 56 77 94 59 72 1 66 35 12 21 84 TG(58:10) [SIM] 105 85 90 43 71 79 67 45 42 50 56 16 32 62 45 48 70 40 TG(58:8) [SIM] 23 32 64 32 33 53 47 47 38 55 44 53 48 26 54 30 30 37 TG(58:9) [SIM] 52 58 39 44 23 52 38 65 23 71 33 40 16 41 64 20 48 34 TG(48:0) [NL-16:0] 1715 1434 1350 1193 1025 1417 833 767 1464 944 957 569 638 1073 670 777 778 868 TG(49:1) [NL-17:1] 106 97 98 81 72 115 58 71 230 100 81 69 25 105 78 73 79 83 TG(51:0) [NL-16:0] 34 33 31 28 26 29 26 21 26 29 27 21 30 33 26 26 31 31 TG(51:2) [NL-15:0] 47 47 50 27 24 37 25 26 94 45 32 32 5 41 50 20 20 35 TG(51:2) [NL-17:0] 88 85 88 60 42 89 49 47 157 59 72 78 9 67 54 44 57 55 TG(51:2) [NL-17:1] 118 115 148 92 96 127 84 80 197 89 104 111 35 122 96 93 77 84 TG(54:0) [NL-18:0] 70 50 39 44 33 51 36 35 33 38 38 38 7 37 33 38 33 39 TG(54:1) [NL-18:1] 139 126 114 112 95 116 98 85 103 111 98 98 67 106 93 94 101 98 TG(54:2) [NL-20:1] 43 63 47 39 33 60 44 23 30 33 53 37 54 40 30 24 44 36 TG(54:4) [NL-20:3] 21 22 30 20 18 20 16 18 12 27 20 18 25 20 16 18 26 25 TG(54:5) [NL-20:4] 15 13 18 11 11 10 11 11 10 11 15 19 10 7 10 6 11 7 TG(54:6) [NL-20:4] 4 2 3 2 2 4 2 3 0 3 3 11 0 1 0 1 2 1 TG(54:6) [NL-22:6] 8 5 6 7 4 5 10 8 6 11 10 11 8 4 6 5 9 6 TG(54:7) [NL-22:6] 3 4 3 3 3 2 4 2 2 3 2 4 3 2 3 3 4 2 TG(56:6) [NL-20:4] 24 15 33 18 17 21 16 22 14 25 20 42 24 18 16 12 17 12 TG(56:6) [NL-22:5] 21 12 16 19 15 13 16 19 13 19 25 28 20 19 13 18 21 13 TG(56:7) [NL-20:4] 2 1 2 1 1 2 1 1 0 9 1 22 1 2 2 0 2 1 TG(56:7) [NL-22:6] 44 46 65 34 32 44 2 3 2 70 5 89 57 2 1 2 2 2 TG(56:8) [NL-20:4] 2 1 2 2 2 2 0 1 2 3 1 8 1 2 1 1 2 2 TG(56:8) [NL-22:6] 7 6 8 9 8 6 6 6 6 10 9 14 8 6 7 6 5 6 TG(56:9) [NL-22:6] 2 1 2 0 0 2 1 1 1 1 2 2 1 2 1 1 1 1 TG(58:10) [NL-22:6] 4 3 3 3 3 4 3 3 3 3 3 1 2 2 2 2 3 2 TG(58:8) [NL-22:6] 1 1 2 2 2 0 2 1 1 3 1 3 2 2 1 1 3 1 TG(58:9) [NL-22:6] 4 3 4 2 2 3 4 3 5 5 3 11 4 7 2 3 4 4 TG(O-50:1) [NL-15:0] 73 71 72 65 59 63 50 44 44 49 49 40 54 55 46 45 54 55 TG(O-50:1) [NL-16:0] 248 258 244 218 203 232 199 181 140 203 190 171 220 203 174 172 192 198 TG(O-50:1) [NL-17:1] 8 5 7 6 5 5 6 5 8 8 6 5 6 7 7 5 8 5 TG(O-50:1) [NL-18:1] 132 121 130 107 104 107 86 81 77 94 92 75 106 101 88 82 102 96 TG(O-50:2) [NL-16:1] 89 87 91 76 68 80 50 47 87 59 55 40 57 69 54 58 62 65 TG(O-50:2) [NL-18:1] 42 45 44 44 34 34 24 23 18 25 22 21 27 24 22 24 22 27 TG(O-50:2) [NL-18:2] 16 16 16 15 12 13 9 8 8 9 8 7 9 9 8 9 11 9 TG(O-50:3) [NL-18:2] 5 8 4 5 3 3 1 4 3 0 3 1 1 4 2 1 1 1 TG(O-52:0) [NL-16:0] 3 2 2 1 2 2 2 1 2 1 1 1 2 2 2 2 3 2 TG(O-52:1) [NL-16:0] 45 40 43 38 35 38 38 34 39 37 38 29 43 46 39 36 49 45 TG(O-52:1) [NL-18:1] 23 19 22 19 18 19 19 19 20 22 22 15 23 25 21 20 24 23 TG(O-52:2) [NL-16:0] 41 38 44 36 33 35 35 31 35 38 39 28 41 43 36 34 41 38 TG(O-52:2) [NL-17:1] 3 5 5 5 4 5 3 4 4 4 4 4 3 5 4 4 3 4 TG(O-52:2) [NL-18:1] 53 49 52 45 40 42 43 42 44 43 49 35 53 54 47 41 56 46 TG(O-54:2) [NL-18:1] 17 16 18 14 14 15 15 16 19 17 16 12 18 24 19 18 22 18 TG(O-54:3) [NL-17:1] 3 3 3 3 2 2 2 2 2 2 1 1 2 3 2 2 2 2 TG(O-54:3) [NL-18:1] 9 10 9 7 7 8 9 9 10 10 10 8 11 12 10 9 12 10 TG(O-54:4) [NL-17:1] 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 TG(O-54:4) [NL-18:2] 2 1 1 1 1 1 1 0 2 1 1 1 1 2 2 1 1 2 CL(68:2) [PI-34:1] 19110 22153 21481 21153 19774 17226 16742 15852 12403 15510 19679 11399 17209 14166 13330 12274 15210 16110 CL(70:3) [PI-34:1] 7439 8942 8482 8158 7516 6645 8537 7854 6799 7936 9343 5697 8870 7596 7132 6899 7588 7808 CL(70:4) [PI-34:1] 3357 4141 4005 3666 4065 3302 3868 3603 2865 3859 4340 2670 3928 3329 3154 2681 3673 3275 CL(70:4) [PI-36:2] 26745 30214 29746 28125 25607 23303 28798 27571 21370 25587 31475 18749 30767 27381 25072 22873 26733 27386 CL(70:5) [PI-36:3] 12344 14278 13935 12990 12083 11432 11795 12067 9237 11240 13304 8028 11392 10502 9892 9053 10320 10471 CL(72:4) [PI-36:2] 9148 10423 10079 9686 9448 8233 14105 14159 11423 12597 15483 9550 15640 13771 13510 12409 13312 14074 CL(72:4) [PI-36:3] 839 942 936 861 853 703 1183 1248 951 1032 1368 813 1127 1015 972 1031 1060 1011 CL(72:5) [PI-34:1] 528 436 607 622 430 430 436 367 307 416 529 284 405 307 381 418 334 262 CL(72:5) [PI-36:2] 5029 6046 6019 5871 5043 5198 7597 7169 6028 7372 8755 4909 8088 7373 6481 6356 6899 6987 CL(72:5) [PI-36:3] 5274 6006 6045 5645 5275 4809 8561 7310 5995 7709 8650 5152 8075 6874 6551 6065 7162 7580 CL(72:5) [PI-38:4] 507 599 573 546 593 546 398 501 275 397 512 353 541 453 418 345 424 480 CL(72:6) [PI-34:1] 250 214 268 361 303 185 222 158 141 213 264 129 148 163 252 167 123 136 CL(72:6) [PI-36:3] 2264 2941 2724 2562 2713 2515 3315 3228 2548 3321 3625 2216 3162 2886 2759 2470 2710 2885 CL(72:6) [PI-36:4] 767 795 874 834 640 680 844 803 605 755 981 523 938 810 750 728 839 845 CL(72:6) [PI-38:4] 1727 1881 1978 1907 1684 1415 1406 1686 1303 1558 1972 1119 1692 1585 1498 1328 1540 1624 CL(72:7) [PI-34:1] 60 109 112 82 104 57 43 130 41 62 107 43 78 61 70 52 87 59 CL(72:7) [PI-36:2] 466 433 383 423 385 379 290 318 248 288 336 200 302 233 220 209 267 258 CL(72:7) [PI-36:4] 337 430 384 517 316 338 345 335 317 336 446 246 362 389 383 316 378 425 CL(72:7) [PI-38:4] 88 125 139 196 153 136 126 132 93 154 147 73 132 90 114 96 106 93 CL(72:8) [PI-36:3] 179 266 209 217 178 229 196 119 104 147 166 75 124 117 87 105 109 116 CL(72:8) [PI-36:4] 39 51 34 46 36 57 81 64 29 75 48 45 47 40 1 81 52 19 CL(74:6) [PI-38:4] 704 859 723 654 529 594 966 995 836 852 1121 636 959 965 1020 785 832 1060 CL(74:7) [PI-36:3] 367 558 375 388 407 391 482 432 302 419 532 308 465 478 395 378 485 460 CL(74:7) [PI-38:4] 336 469 431 396 319 408 477 502 389 431 563 371 497 451 510 356 487 437 CL(74:8) [PI-34:1] 66 62 48 23 53 57 26 44 40 46 34 22 43 45 19 42 28 41 CL(74:8) [PI-36:4] 39 44 73 102 57 48 44 80 60 66 87 52 53 83 59 25 38 62 CL(74:8) [PI-40:7] 43 62 68 89 40 29 48 46 34 88 67 57 39 82 46 73 33 77 CL(74:9) [PI-36:3] 103 99 114 126 87 63 100 95 54 61 95 63 74 59 73 59 45 47 CL(74:9) [PI-36:4] 21 56 15 19 19 18 14 26 31 17 20 27 25 30 21 13 17 38 CL(74:9) [PI-40:7] 230 196 219 207 241 279 208 282 217 273 276 150 196 204 183 168 193 221 CL(76:10) [PI-38:4] 3 29 14 12 3 8 3 7 1 7 9 7 16 4 8 11 9 11 CL(76:10) [PI-40:7] 53 24 61 16 48 67 102 124 48 69 122 49 62 73 58 104 68 60 CL(76:8) [PI-38:4] 50 40 46 58 25 25 110 153 55 85 97 62 86 51 109 87 88 109 CL(76:9) [PI-38:4] 24 40 22 29 19 20 49 35 33 19 26 15 48 17 33 3 32 51 CL(76:9) [PI-40:7] 98 160 74 117 108 78 135 160 142 99 126 80 179 131 178 103 135 158 Ubiquinone 5 4 5 6 6 5 4 3 2 4 4 4 7 3 2 2 3 5 CE(20:4) [+OH] 12 5 0 0 8 4 0 5 10 0 0 0 4 5 0 3 14 4 CE(22:6) [+OH] 26 23 23 16 18 22 57 16 13 37 33 8 24 17 29 23 23 18 LPC(18:2) [+OH] 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LPC(22:6) [+OH] 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PC(34:2) [+OH] 11 10 15 10 10 9 8 7 7 7 7 6 6 9 8 6 7 8 PC(36:4) [+OH] 0 0 1 1 1 0 1 1 0 1 1 1 0 0 1 0 0 0 PC(38:6) [+OH] 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Pubchem CID CHEBI_ID HMDB_ID LM_ID KEGG_ID REFMET_ID retention time (min) m/z ratio Sph(d18:1) 5280335 16393 HMDB0000252 LMSP01010001 C00319 RM0135443 2.37 dhCer(d18:0/16:0) 5283572 67042 HMDB0011760 LMSP02020001 RM0135506 8.34 dhCer(d18:0/18:0) 5283573 67033 HMDB0011761 LMSP02020008 RM0135507 9.76 dhCer(d18:0/20:0) 5283574 67027 HMDB0011764 LMSP02020009 RM0135508 10.18 dhCer(d18:0/22:0) 5283575 67021 HMDB0011765 LMSP02020010 RM0135509 10.29 dhCer(d18:0/24:0) 5283577 52961 HMDB0011768 LMSP02020012 RM0160764 10.53 dhCer(d18:0/24:1) RM0134164 10.37 Cer(d16:1/16:0) 11799850 HMDB0240681 LMSP02019AXT RM0029227 6.68 Cer(d16:1/18:0) 10582678 179990 LMSP02010046 RM0028971 7.81 Cer(d16:1/22:0) 10627306 HMDB0240682 LMSP02010016 RM0028902 10.07 Cer(d16:1/23:0) 11273482 HMDB0249814 LMSP02010017 RM0053907 10.12 Cer(d16:1/24:0) 10627700 LMSP02010050 RM0028896 10.3 Cer(d16:1/24:1) RM0029561 10.1 Cer(d17:1/16:0) 10256256 HMDB0240685 LMSP02019A9D RM0038788 7.22 Cer(d17:1/18:0) 9985066 172405 HMDB0240683 LMSP02019A9L RM0138632 8.46 Cer(d17:1/22:0) 134752283 LMSP02019BAT RM0029808 10.21 Cer(d17:1/23:0) 134733542 LMSP02019BA3 RM0041297 10.24 Cer(d17:1/24:1) RM0134168 10.15 Cer(d18:1/14:0) 5282310 34863 HMDB0011773 LMSP02010001 C00195 RM0135483 6.69 Cer(d18:1/16:0) 5283564 72959 HMDB0004949 LMSP02010004 RM0135485 7.79 Cer(d18:1/18:0) 5283565 72961 HMDB0004950 LMSP02010006 C00195 RM0135486 9.06 Cer(d18:1/19:0) 52931126 142377 LMSP02010032 RM0030219 9.67 Cer(d18:1/20:0) 5283566 72962 HMDB0004951 LMSP02010007 RM0135487 10.06 Cer(d18:1/21:0) 100942254 LMSP02010121 RM0030230 10.21 Cer(d18:1/22:0) 5283567 72966 HMDB0004952 LMSP02010008 RM0135488 10.31 Cer(d18:1/23:0) 52931115 84372 HMDB0000950 LMSP02010021 RM0138865 10.39 Cer(d18:1/24:0) 5283571 72965 HMDB0004956 LMSP02010012 RM0135489 10.49 Cer(d18:1/24:1) RM0134169 10.31 Cer(d18:1/26:0) 5283570 72968 HMDB0004955 LMSP02010011 RM0138864 10.63 Cer(d18:2/14:0) 52931116 LMSP02010022 RM0035953 5.86 Cer(d18:2/16:0) 52931118 149633 HMDB0240686 LMSP02010024 RM0135501 6.92 Cer(d18:2/18:0) 132282053 136461 HMDB0240362 LMSP02010170 RM0040717 8.07 Cer(d18:2/20:0) 52931120 134549 LMSP02010026 RM0135502 9.34 Cer(d18:2/21:0) 52931122 142383 LMSP02010028 RM0135503 9.93 Cer(d18:2/22:0) 52931123 134550 LMSP02010029 RM0135504 10.13 Cer(d18:2/23:0) 52931124 134552 HMDB0255029 LMSP02010030 RM0135505 10.23 Cer(d18:2/24:0) 165415641 LMSP02010171 RM0134207 10.34 Cer(d18:2/24:1) RM0134208 10.15 Cer(d18:2/26:0) 171119518 LMSP02010173 RM0058988 10.51 Cer(d19:1/16:0) 10578618 LMSP02019BTL RM0030381 8.18 Cer(d19:1/18:0) 134768575 LMSP02019BTT RM0008597 9.45 Cer(d19:1/24:1) RM0162122 10.37 Cer(d20:1/24:1) RM0040732 10.48 Cer(m18:0/22:0) RM0121228 10.5 Cer(m18:0/23:0) RM0163044 10.56 Cer(m18:0/24:0) RM0163045 10.67 Cer(m18:0/24:1) RM0122453 10.51 Cer(m18:1/18:0) RM0015213 9.4 Cer(m18:1/20:0) RM0015287 10.1 Cer(m18:1/22:0) RM0015382 10.33 Cer(m18:1/23:0) RM0012492 10.42 Cer(m18:1/24:0) RM0121071 10.53 Cer(m18:1/24:1) RM0015486 10.36 Cer1P(d18:1/16:0) 5.3 HexCer(d16:1/18:0) RM0048343 6.54 HexCer(d16:1/20:0) RM0047744 7.61 HexCer(d16:1/22:0) RM0036803 8.82 HexCer(d16:1/24:0) RM0044465 9.95 HexCer(d18:1/16:0) RM0134064 6.47 HexCer(d18:1/18:0) RM0008618 7.52 HexCer(d18:1/20:0) RM0036777 8.71 HexCer(d18:1/22:0) RM0013838 9.9 HexCer(d18:1/24:0) RM0042554 10.23 HexCer(d18:1/24:1) RM0134083 9.97 HexCer(d18:2/18:0) RM0045276 6.74 HexCer(d18:2/20:0) RM0030330 7.81 HexCer(d18:2/22:0) RM0044705 9.05 HexCer(d18:2/24:0) RM0047158 10.06 Hex2Cer(d16:1/16:0) RM0006877 5.16 Hex2Cer(d16:1/24:1) RM0026745 8.12 Hex2Cer(d18:1/16:0) RM0025525 5.94 Hex2Cer(d18:1/18:0) RM0025712 7.5 Hex2Cer(d18:1/20:0) RM0041439 8.05 Hex2Cer(d18:1/22:0) RM0125196 9.23 Hex2Cer(d18:1/24:0) RM0026926 10.06 Hex2Cer(d18:1/24:1) RM0026928 9.2 Hex2Cer(d18:2/16:0) RM0038634 5.34 Hex2Cer(d18:2/18:0) RM0042834 6.19 Hex2Cer(d18:2/24:1) RM0026951 8.31 Hex3Cer(d18:1/16:0) RM0134087 5.58 Hex3Cer(d18:1/18:0) RM0125779 6.49 Hex3Cer(d18:1/20:0) RM0125780 7.52 Hex3Cer(d18:1/22:0) RM0125781 8.61 Hex3Cer(d18:1/24:0) RM0056494 9.88 Hex3Cer(d18:1/24:1) RM0125782 8.64 GM3(d18:1/16:0) 44262036 84674 HMDB0004844 LMSP0601AJ01 RM0135628 4.75 GM3(d18:1/18:0) 44262037 84675 HMDB0004845 LMSP0601AJ02 RM0135629 5.35 GM3(d18:1/20:0) 44262038 84676 HMDB0004846 LMSP0601AJ03 RM0138885 6.16 GM3(d18:1/22:0) 44262039 84679 HMDB0004847 LMSP0601AJ04 RM0120483 7.1 GM3(d18:1/24:0) 44262040 84681 HMDB0004851 LMSP0601AJ05 RM0135632 8.14 GM3(d18:1/24:1) RM0120695 7.12 GM3(d18:2/24:1) 6.37 GM1(d18:1/16:0) RM0138721 4.55 SHexCer(d18:1/16:0(OH)) 4.79 SHexCer(d18:1/16:0) 24779578 60366 HMDB0012313 LMSP06020002 C06125 RM0135634 4.95 SHexCer(d18:1/24:0) 24779585 60361 HMDB0000024 LMSP06020013 RM0135636 8.53 SHexCer(d18:1/24:1(OH)) 7.2 SHexCer(d18:1/24:1) RM0121778 7.52 SM(34:3) RM0134097 4.77 SM(35:2) (b) RM0163288 5.97 SM(36:2) (a) RM0134100 6.09 SM(36:2) (b) RM0134100 6.29 SM(37:1) RM0138770 7.49 SM(37:2) RM0059100 6.45 SM(38:3) RM0134103 6.27 SM(40:3) (a) RM0134106 7.15 SM(40:3) (b) RM0134106 7.53 SM(40:4) RM0134107 6.55 SM(41:0) RM0059465 10.3 SM(41:1) (a) RM0120987 9.75 SM(42:3) RM0134109 8.37 SM(42:4) RM0134110 7.59 SM(43:1) RM0122662 10.29 SM(43:2) (b) RM0060144 9.86 SM(43:2) (c) RM0060144 10.07 SM(44:1) RM0134159 10.37 SM(44:2) RM0122300 10.11 SM(44:3) RM0134112 9.51 SM(d16:1/19:0) 134723959 LMSP03019A7B RM0059018 6.17 SM(d16:1/23:0) / SM(d17:1/22:0) 8.69 SM(d16:1/24:1) RM0134149 8.07 SM(d17:1/14:0) 134761427 LMSP03019BKR RM0024736 4.72 SM(d17:1/16:0) 134765538 LMSP03019BKX RM0060201 5.47 SM(d17:1/24:1) RM0138773 8.65 SM(d18:0/14:0) 44260138 89482 HMDB0012085 LMSP03010030 RM0135552 5.41 SM(d18:0/16:0) 9939965 78647 HMDB0010168 LMSP03010004 RM0135544 6.26 SM(d18:0/22:0) 44260132 89490 HMDB0012091 LMSP03010022 RM0135549 9.75 SM(d18:1/14:0) / SM(d16:1/16:0) 5.09 SM(d18:1/16:0) 9939941 78646 HMDB0010169 LMSP03010003 RM0135543 5.9 SM(d18:1/17:0) / SM(d17:1/18:0) 6.41 SM(d18:1/18:0) / SM(d16:1/20:0) 6.92 SM(d18:1/20:0) / SM(d16:1/22:0) 8.07 SM(d18:1/22:0) / SM(d16:1/24:0) 9.25 SM(d18:1/23:0) / SM(d17:1/24:0) 9.95 SM(d18:1/24:0) 44260127 83360 HMDB0011697 LMSP03010008 RM0060142 10.06 SM(d18:1/24:1) RM0134116 9.25 SM(d18:2/14:0) 52931131 138576 HMDB0240637 LMSP03010034 RM0059200 4.58 SM(d18:2/16:0) 52931235 136280 HMDB0240638 LMSP03010090 RM0135573 5.27 SM(d18:2/17:0) RM0120909 5.63 SM(d18:2/18:1) RM0134146 5.53 SM(d18:2/20:0) 52931181 HMDB0240632 LMSP03010060 RM0059935 7.11 SM(d18:2/22:0) 52931237 136388 HMDB0240633 LMSP03010092 RM0059197 8.4 SM(d18:2/23:0) 52931209 136283 HMDB0240634 LMSP03010075 RM0135568 9.09 SM(d18:2/24:0) 52931217 138577 HMDB0240635 LMSP03010081 RM0135571 9.62 SM(d19:1/24:1) RM0134144 9.61 PA(34:1) RM0134584 6.54 PA(36:1) RM0030911 7.57 PA(36:2) RM0134599 6.89 PA(36:3) RM0170340 6.09 PA(36:4) RM0134601 5.79 PA(40:6) RM0134602 6 PC(14:0_16:0) RM0098405 5.99 PC(14:0_20:4) RM0000558 5.52 PC(14:0_22:6) RM0171200 5.37 PC(15-MHDA_18:1) 7.5 PC(15-MHDA_18:2) 6.73 PC(15-MHDA_20:4) 6.6 PC(15-MHDA_22:6) 6.51 PC(15:0_20:3) RM0024925 6.34 PC(15:0_20:4) RM0098329 5.99 PC(15:0_22:6) RM0000427 5.79 PC(16:0_16:0) 452110 72999 HMDB0000564 LMGP01010564 C00157 RM0135046 6.97 PC(16:0_18:0) RM0000437 8.12 PC(16:0_18:1) RM0090134 7.19 PC(16:0_18:2) RM0104110 6.48 PC(16:0_18:3) (a) RM0000422 5.85 PC(16:0_18:3) (b) RM0000422 6.09 PC(16:0_20:3) (a) RM0014008 6.8 PC(16:0_20:3) (b) RM0014008 7.09 PC(16:0_20:4) RM0134944 6.4 PC(16:0_20:5) RM0171098 5.9 PC(16:0_22:6) RM0171056 6.21 PC(16:1_18:2) RM0098371 5.68 PC(16:1_20:4) RM0171100 5.6 PC(16:1_22:6) RM0001076 5.53 PC(17:0_18:1) RM0090135 7.81 PC(17:0_18:2) RM0000392 7.03 PC(17:0_20:4) RM0024950 6.92 PC(17:0_22:6) RM0171094 6.73 PC(17:1_18:2) RM0025431 6.12 PC(18:0_18:1) RM0171088 8.32 PC(18:0_18:2) RM0097845 7.54 PC(18:0_20:3) RM0170562 7.92 PC(18:0_20:4) RM0134946 7.47 PC(18:0_22:4) RM0000944 8.3 PC(18:0_22:5) (n3) / PC(20:1_20:4) 7.54 PC(18:0_22:5) (n6) 7.92 PC(18:0_22:6) RM0134875 7.21 PC(18:1_18:1) RM0090053 7.31 PC(18:1_18:2) RM0000423 6.58 PC(18:1_20:3) RM0171082 6.94 PC(18:1_22:6) (a) RM0036601 6.32 PC(18:1_22:6) (b) RM0036601 6.51 PC(18:2_18:2) RM0134908 5.95 PC(18:2_20:5) RM0171080 5.31 PC(20:0_20:4) RM0000901 8.65 PC(28:0) RM0134835 5.16 PC(31:1) RM0090089 5.74 PC(32:1) RM0011317 6.23 PC(32:2) RM0024988 5.56 PC(33:0) (a) RM0011313 7.25 PC(33:0) (b) RM0011313 7.59 PC(33:1) RM0134891 6.64 PC(33:2) RM0000568 5.97 PC(34:5) RM0134842 4.99 PC(35:5) RM0025460 5.42 PC(36:6) (a) RM0171049 5.16 PC(38:2) RM0134844 8.6 PC(38:4) (b) RM0010755 7.16 PC(38:5) (a) RM0134823 6.5 PC(38:5) (b) RM0134823 6.82 PC(38:6) (a) RM0097851 5.91 PC(38:7) (c) RM0171096 5.73 PC(39:5) (a) RM0104182 6.5 PC(39:5) (b) RM0104182 7.02 PC(40:7) (a) RM0171053 6.12 PC(40:8) RM0171090 5.72 PC(42:10) RM0000567 5.61 PC(42:2) RM0171087 10.22 PC(42:3) RM0103429 9.87 PC(42:4) RM0136203 9.22 PC(42:5) (a) RM0001016 8.41 PC(42:5) (b) RM0001016 8.71 PC(42:6) (a) RM0134849 7.28 PC(42:6) (b) RM0134849 7.77 PC(42:7) RM0000569 7.27 PC(42:8) RM0171089 6.39 PC(42:9) RM0134912 5.98 PC(44:12) RM0090187 5.33 PC(44:4) (a) RM0097854 10.04 PC(44:4) (b) RM0097854 10.26 PC(44:5) RM0134853 9.93 PC(O-16:0/16:0) 145911 72744 LMGP01020029 RM0138805 7.77 PC(O-16:0/20:3) RM0134815 7.53 PC(O-16:0/22:6) RM0134917 6.82 PC(O-18:0/18:2) RM0052323 8.44 PC(O-18:0/20:4) RM0134871 8.23 PC(O-18:0/22:6) RM0052315 7.92 PC(O-18:1/18:1) RM0017287 8.07 PC(O-18:1/18:2) RM0017288 7.27 PC(O-32:1) RM0052166 6.87 PC(O-32:2) RM0136490 5.92 PC(O-34:1) RM0017335 7.91 PC(O-34:2) RM0052177 7.17 PC(O-34:4) RM0134857 6.04 PC(O-36:0) RM0105608 10.06 PC(O-36:5) RM0134826 6.37 PC(O-38:5) RM0134819 7.15 PC(O-40:5) RM0024248 8.37 PC(O-40:7) RM0052254 6.95 PC(O-42:4) (a) RM0052252 10.04 PC(O-42:4) (b) RM0052252 10.21 PC(O-42:5) (a) RM0052253 9.49 PC(O-42:5) (b) RM0052253 9.78 PC(O-42:6) RM0134885 8.51 PC(O-42:7) RM0052240 8.02 PC(O-42:8) RM0052244 7.47 PC(O-44:6) RM0136397 9.82 PC(O-44:7) RM0097427 9.25 PC(O-46:7) (a) RM0052278 9.82 PC(O-46:7) (b) RM0052278 10.09 PC(O-46:8) RM0052279 9.55 PC(P-15:0/20:4) (a) RM0024235 6.2 PC(P-15:0/20:4) (b) RM0024235 6.39 PC(P-16:0/14:0) 52923874 133669 HMDB0011203 LMGP01030021 RM0134899 6.54 PC(P-16:0/16:0) 11146967 133672 HMDB0011206 LMGP01030025 RM0017336 7.62 PC(P-16:0/16:1) RM0017338 6.75 PC(P-16:0/18:0) 52923890 HMDB0011208 LMGP01030030 RM0052426 8.9 PC(P-16:0/18:1) RM0134916 7.8 PC(P-16:0/18:2) RM0092662 6.98 PC(P-16:0/18:3) RM0017339 6.44 PC(P-16:0/20:4) RM0017340 6.82 PC(P-16:0/20:5) RM0017346 6.3 PC(P-16:0/22:6) RM0017380 6.71 PC(P-17:0/20:4) (a) RM0008199 7.12 PC(P-17:0/20:4) (b) RM0008199 7.37 PC(P-18:0/18:2) RM0134873 8.23 PC(P-18:0/20:4) RM0017384 7.92 PC(P-18:0/22:5) RM0052604 8.02 PC(P-18:0/22:6) RM0052603 7.67 PC(P-18:1/18:1) RM0017379 7.91 PC(P-18:1/22:6) RM0052707 6.85 PC(P-20:0/20:4) RM0097991 9.09 PC(P-35:2) (a) RM0053102 7.3 PC(P-35:2) (b) RM0053102 7.62 PC(P-36:3) RM0053104 7.37 PC(P-38:5) (a) RM0017418 6.94 PC(P-38:5) (b) RM0017418 7.25 PC(P-42:5) RM0053199 9.09 PC(P-44:5) RM0053208 10.06 LPC(14:0) [sn1] RM0134470 2 LPC(14:0) [sn2] RM0048631 1.79 LPC(15-MHDA) [sn1] / LPC(17:0) [sn2] 2.84 LPC(15-MHDA) [sn1] [104_sn1] 2.82 LPC(15-MHDA) [sn2] 2.69 LPC(15:0) [sn2] RM0048640 2.13 LPC(16:0) [sn1] 460602 72998 HMDB0010382 LMGP01050018 C04230 RM0135071 2.67 LPC(16:0) [sn2] RM0134494 2.48 LPC(16:1) [sn1] RM0048628 2.19 LPC(16:1) [sn2] RM0134484 1.97 LPC(17:0) [sn1] RM0048622 3 LPC(17:1) (a) [sn1] [104_sn1] RM0134477 2.44 LPC(17:1) [sn1] (a) / LPC(17:1) [sn2] (b) 2.49 LPC(17:1) [sn1] (b) RM0161543 2.69 LPC(17:1) [sn2] (a) RM0161542 2.28 LPC(18:0) [sn1] RM0048621 3.3 LPC(18:0) [sn2] RM0090007 3.13 LPC(18:1) [sn1] RM0048632 2.82 LPC(18:1) [sn2] RM0048633 2.63 LPC(18:2) [sn1] RM0134486 2.36 LPC(18:2) [sn2] RM0103832 2.18 LPC(18:3) (a) [sn1] [104_sn1] RM0134471 1.88 LPC(18:3) [sn1] (a) / LPC(18:3) [sn2] (b) 1.91 LPC(18:3) [sn1] (b) RM0163374 2.05 LPC(18:3) [sn2] (a) RM0161594 1.78 LPC(19:0) (a) [sn1] [104_sn1] RM0134490 3.42 LPC(19:0) [sn1] (a) / LPC(19:0) [sn2] (b) 3.45 LPC(19:0) [sn1] (b) RM0048602 3.59 LPC(19:0) [sn2] (a) RM0161586 3.32 LPC(19:1) (a) RM0048604 2.91 LPC(19:1) (b) RM0048604 3.13 LPC(20:0) [sn1] RM0134479 3.81 LPC(20:0) [sn2] RM0024475 3.67 LPC(20:1) [sn1] RM0134487 3.42 LPC(20:1) [sn2] RM0161656 3.23 LPC(20:2) [sn1] RM0161655 3.01 LPC(20:2) [sn2] RM0031199 2.79 LPC(20:3) [sn1] RM0161621 2.58 LPC(20:3) [sn2] RM0048634 2.42 LPC(20:4) [sn1] RM0048623 2.33 LPC(20:4) [sn2] RM0048627 2.16 LPC(20:5) [sn1] RM0048629 1.97 LPC(20:5) [sn2] RM0134485 1.77 LPC(22:0) [sn1] RM0048637 4.45 LPC(22:0) [sn2] RM0161651 4.22 LPC(22:1) [sn1] RM0161650 3.91 LPC(22:1) [sn2] RM0161649 3.72 LPC(22:4) [sn1] RM0134488 2.84 LPC(22:4) [sn2] RM0007275 2.64 LPC(22:5) (n3) [sn1] [104_sn1] 2.41 LPC(22:5) [sn1] (n3) / LPC(22:5) [sn2] (n6) 2.45 LPC(22:5) [sn1] (n6) 2.61 LPC(22:5) [sn2] (n3) 2.29 LPC(22:6) [sn1] RM0134489 2.24 LPC(22:6) [sn2] RM0138797 2.07 LPC(24:0) [sn1] RM0048625 5.11 LPC(24:0) [sn2] RM0048617 4.9 LPC(26:0) [sn1] RM0007313 6 LPC(26:0) [sn2] RM0161708 5.73 LPC(O-16:0) 162126 64496 LMGP01060010 C04317 RM0133233 2.95 LPC(O-18:0) 2733532 75216 HMDB0011149 LMGP01060014 C04317 RM0135072 3.58 LPC(O-18:1) RM0133231 3.1 LPC(O-20:0) RM0097833 4.07 LPC(O-20:1) RM0017267 3.65 LPC(O-22:0) RM0097834 4.75 LPC(O-22:1) RM0007361 4.14 LPC(O-24:0) RM0133232 5.57 LPC(O-24:1) RM0007364 4.85 LPC(O-24:2) RM0007365 4.25 LPC(P-16:0) RM0133228 2.89 LPC(P-17:0) (a) RM0096776 3.11 LPC(P-17:0) (b) RM0096776 3.29 LPC(P-18:0) RM0133230 3.53 LPC(P-18:1) RM0092658 3.08 LPC(P-20:0) RM0134492 4.09 PE(15-MHDA_18:1) 7.86 PE(15-MHDA_18:2) 7.08 PE(15-MHDA_20:4) 6.98 PE(15-MHDA_22:6) 6.77 PE(16:0_16:0) 445468 73005 HMDB0008923 LMGP02010037 C00350 RM0095704 7.29 PE(16:0_16:1) RM0011556 6.47 PE(16:0_18:1) RM0134725 7.46 PE(16:0_18:2) RM0011470 6.72 PE(16:0_18:3) (a) RM0001916 6.2 PE(16:0_18:3) (b) RM0001916 6.43 PE(16:0_20:3) RM0134802 7.14 PE(16:0_20:4) RM0134803 6.67 PE(16:0_20:5) RM0044209 6.12 PE(16:0_22:6) RM0104542 6.47 PE(16:1_18:2) RM0087626 6 PE(16:1_20:4) RM0043842 5.87 PE(17:0_18:1) RM0028162 8.13 PE(17:0_18:2) RM0134811 7.37 PE(17:0_20:4) RM0008623 7.22 PE(17:0_22:6) RM0007057 7 PE(18:0_18:1) RM0134779 8.65 PE(18:0_18:2) RM0001471 7.82 PE(18:0_20:3) (a) RM0001660 8.22 PE(18:0_20:3) (b) RM0001660 8.59 PE(18:0_20:4) RM0134782 7.77 PE(18:0_22:4) RM0001961 8.61 PE(18:0_22:5) (n3) 7.85 PE(18:0_22:5) (n6) 8.26 PE(18:0_22:6) RM0001469 7.54 PE(18:1_18:1) RM0134757 7.66 PE(18:1_18:2) RM0011593 6.91 PE(18:1_22:6) (a) RM0043843 6.61 PE(18:1_22:6) (b) RM0043843 6.8 PE(20:0_20:4) RM0011711 8.97 PE(36:0) RM0007181 9.58 PE(38:5) (a) RM0134741 6.79 PE(38:5) (b) RM0134741 7.14 PE(O-16:0/18:2) RM0034700 7.44 PE(O-16:0/20:3) RM0043684 7.77 PE(O-16:0/20:4) RM0055928 7.38 PE(O-16:0/22:4) RM0000479 8.07 PE(O-16:0/22:6) RM0134778 7.15 PE(O-18:0/20:4) RM0017815 8.27 PE(O-18:0/22:5) RM0055940 8.68 PE(O-18:0/22:6) RM0054394 8.3 PE(O-18:1/18:2) RM0054646 7.5 PE(O-18:1/22:6) RM0054678 7.56 PE(O-34:1) RM0055034 8.25 PE(O-36:5) RM0055036 6.73 PE(O-38:5) (a) RM0008898 7.45 PE(O-38:5) (b) RM0008898 7.84 PE(P-15:0/20:4) (a) RM0056057 6.51 PE(P-15:0/20:4) (b) RM0056057 6.79 PE(P-15:0/22:6) (a) RM0009333 6.31 PE(P-15:0/22:6) (b) RM0009333 6.57 PE(P-16:0/18:1) RM0134760 8.15 PE(P-16:0/18:2) RM0134762 7.39 PE(P-16:0/18:3) RM0017422 6.67 PE(P-16:0/20:3) (a) RM0135808 7.64 PE(P-16:0/20:3) (b) RM0135808 7.85 PE(P-16:0/20:4) RM0017415 7.24 PE(P-16:0/20:5) RM0017416 6.59 PE(P-16:0/22:4) RM0134765 8.02 PE(P-16:0/22:5) (n3) 7.35 PE(P-16:0/22:5) (n6) 7.71 PE(P-16:0/22:6) RM0092661 7 PE(P-17:0/20:4) (a) RM0092649 7.54 PE(P-17:0/20:4) (b) RM0092649 7.85 PE(P-17:0/22:6) (a) RM0055288 7.35 PE(P-17:0/22:6) (b) RM0055288 7.61 PE(P-18:0/18:1) RM0134766 9.41 PE(P-18:0/18:2) RM0092659 8.52 PE(P-18:0/18:3) RM0055318 7.84 PE(P-18:0/20:3) (a) RM0017453 8.83 PE(P-18:0/20:3) (b) RM0017453 9.06 PE(P-18:0/20:4) RM0017454 8.42 PE(P-18:0/20:5) RM0055321 7.67 PE(P-18:0/22:4) RM0134767 9.23 PE(P-18:0/22:5) (n3) 8.5 PE(P-18:0/22:5) (n6) 8.92 PE(P-18:0/22:6) RM0092660 8.15 PE(P-18:1/18:1) (a) RM0134783 8.34 PE(P-18:1/18:1) (b) RM0134783 8.53 PE(P-18:1/18:2) (a) RM0008681 7.48 PE(P-18:1/18:2) (b) RM0008681 7.71 PE(P-18:1/18:3) RM0008675 6.85 PE(P-18:1/20:3) (a) RM0008680 7.82 PE(P-18:1/20:3) (b) RM0008680 8.03 PE(P-18:1/20:4) (a) RM0054420 7.38 PE(P-18:1/20:4) (b) RM0054420 7.56 PE(P-18:1/20:5) (a) RM0008683 6.71 PE(P-18:1/20:5) (b) RM0008683 6.95 PE(P-18:1/22:4) RM0008684 8.19 PE(P-18:1/22:5) (a) RM0136066 7.53 PE(P-18:1/22:5) (b) RM0136066 7.92 PE(P-18:1/22:6) (a) RM0008718 7.14 PE(P-18:1/22:6) (b) RM0008718 7.37 PE(P-19:0/20:4) (a) RM0169129 8.75 PE(P-19:0/20:4) (b) RM0169129 9.07 PE(P-20:0/18:1) RM0134768 10.07 PE(P-20:0/18:2) RM0055405 9.79 PE(P-20:0/20:4) RM0008686 9.65 PE(P-20:0/22:6) RM0055418 9.4 PE(P-20:1/20:4) RM0008690 8.5 PE(P-20:1/22:6) RM0008691 8.24 LPE(16:0) [sn1] RM0163373 2.76 LPE(16:0) [sn2] RM0163368 2.6 LPE(18:0) [sn1] RM0134457 3.44 LPE(18:0) [sn2] RM0163370 3.26 LPE(18:1) [sn1] RM0163371 2.93 LPE(18:1) [sn2] RM0048674 2.75 LPE(18:2) [sn1] RM0134460 2.48 LPE(18:2) [sn2] RM0163369 2.3 LPE(20:4) [sn1] RM0134450 2.44 LPE(20:4) [sn2] RM0163352 2.26 LPE(22:6) [sn1] RM0134464 2.37 LPE(22:6) [sn2] RM0048651 2.2 LPE(P-16:0) RM0092657 3.04 LPE(P-18:0) RM0133224 3.6 LPE(P-18:1) RM0133225 3.22 LPE(P-20:0) RM0096807 4.19 PI(15-MHDA_18:1) / PI(17:0_18:1) 6.2 PI(15-MHDA_18:2) / PI(17:0_18:2) 5.58 PI(15-MHDA_20:4) / PI(17:0_20:4) 5.6 PI(16:0/16:0) 24779556 73229 HMDB0009778 LMGP06010007 C01194 RM0135113 5.64 PI(16:0_16:1) RM0008656 5.04 PI(16:0_20:3) (a) RM0106205 5.75 PI(16:0_20:3) (b) RM0106205 5.93 PI(16:0_20:4) RM0138712 5.22 PI(18:0_18:1) RM0134535 6.69 PI(18:0_20:2) RM0134536 6.98 PI(18:0_20:3) (a) RM0106376 6.34 PI(18:0_20:3) (b) RM0106376 6.62 PI(18:0_20:4) RM0134537 6 PI(18:0_22:4) RM0027293 6.68 PI(18:0_22:5) (n3) 6.1 PI(18:0_22:5) (n6) 6.43 PI(18:0_22:6) RM0027240 5.87 PI(18:1_18:2) RM0057155 5.38 PI(20:0_20:4) RM0056718 6.98 PI(34:0) RM0134497 6.54 PI(34:1) RM0138798 5.82 PI(36:2) RM0056605 6.02 PI(37:6) RM0056963 5.52 PI(38:5) (a) RM0057194 5.28 PI(38:5) (b) RM0057194 5.54 PI(38:6) RM0134528 5.07 PI(39:6) RM0161484 5.44 PIP1(38:4) 5.22 LPI(18:0) RM0134412 2.75 LPI(18:1) [sn1] RM0007337 2.32 LPI(18:1) [sn2] RM0161677 2.13 LPI(18:2) [sn1] RM0007321 1.95 LPI(18:2) [sn2] RM0161636 1.72 LPI(20:4) [sn1] RM0134410 1.9 LPI(20:4) [sn2] RM0161678 1.85 PS(36:1) RM0057743 6.86 PS(36:2) RM0134623 6.17 PS(38:3) RM0057509 6.42 PS(38:4) RM0134669 6.12 PS(38:5) RM0134627 5.48 PS(40:5) RM0057551 6.31 PS(40:6) RM0134671 5.99 PG(34:1) RM0134561 6.06 PG(36:1) RM0134558 6.99 PG(36:2) RM0134563 6.32 CE(14:0) 99486 84304 HMDB0006725 LMST01020004 RM0135708 11.55 CE(15:0) 24779606 84318 HMDB0060057 LMST01020027 RM0162073 11.7 CE(16:0) 246520 3663 HMDB0000885 LMST01020005 C11251 RM0135709 11.83 CE(16:1) RM0134017 11.58 CE(16:2) RM0161448 11.39 CE(17:0) 14077841 84326 HMDB0060059 LMST01020026 RM0003148 11.92 CE(18:0) 118246 82750 HMDB0062461 LMST01020007 C02530 RM0135710 12.08 CE(18:1) RM0138765 11.85 CE(18:2) RM0016397 11.61 CE(18:3) RM0010684 11.42 CE(20:1) RM0161424 12.06 CE(20:2) RM0009616 11.86 CE(20:3) RM0125977 11.68 CE(20:4) RM0138480 11.49 CE(20:5) RM0138738 11.33 CE(22:1) RM0030821 12.24 CE(22:4) RM0003180 11.7 CE(22:5) RM0017059 11.56 CE(22:6) RM0125897 11.4 CE(24:0) 189779 HMDB0010376 RM0134014 12.65 CE(24:1) RM0000430 12.43 CE(24:4) RM0030785 11.93 CE(24:5) RM0012357 11.74 CE(24:6) RM0000510 11.56 COH 6.43 DE(16:0) 11.67 DE(18:1) 11.64 DE(18:2) 11.42 DE(20:4) 11.33 DE(20:5) 11.17 deDE(18:2) 11.17 deDE(20:4) 11.17 methyl-CE(18:0) 12.13 methyl-CE(18:2) 11.72 methyl-CE(22:6) 11.49 methyl-DE(18:1) 11.73 dimethyl-CE(18:1) 12 dimethyl-CE(18:2) 11.79 dimethyl-CE(22:6) 11.56 FA(14:0) 11005 28875 HMDB0000806 LMFA01010014 C06424 RM0153483 3.07 FA(16:1) RM0140626 3.29 FA(17:1) RM0072192 3.58 FA(18:0) 5281 28842 HMDB0000827 LMFA01010018 C01530 RM0153574 4.37 FA(18:1) RM0140004 3.82 FA(18:3) RM0139661 3.1 FA(20:2) RM0149923 4.13 FA(20:3) RM0152308 3.78 FA(20:4) RM0152034 3.35 FA(22:4) RM0139662 3.88 FA(22:5) RM0149942 3.53 FA(22:6) RM0137845 3.23 AC(10:0) 11953821 28717 HMDB0000651 LMFA07070006 C03299 RM0153849 0.87 AC(12:0) 168381 77086 HMDB0002250 LMFA07070062 RM0154012 1.23 AC(12:1) RM0154155 1.02 AC(13:0) RM0154157 1.37 AC(14:0) 53477791 84634 HMDB0005066 LMFA07070107 RM0154013 1.76 AC(14:1) RM0154190 1.45 AC(15:0) (a) 145720488 165597 HMDB0062517 RM0154017 1.99 AC(16:0) 11953816 17490 HMDB0000222 LMFA07070004 C02990 RM0153848 2.46 AC(16:1) RM0153934 2.02 AC(17:0) 145720489 190604 HMDB0006210 RM0154058 2.8 AC(18:0) 52922056 84644 HMDB0000848 LMFA07070008 RM0153850 3.15 AC(18:1) RM0153915 2.65 AC(18:3) RM0154067 1.85 AC(20:3) (a) RM0154160 2.46 AC(20:4) RM0154159 2.19 AC(22:5) RM0154021 2.23 AC(22:6) RM0154066 2.07 AC(24:1) (a) RM0154068 4.25 AC(14:1)-OH RM0154190 1.15 AC(16:1)-OH RM0153934 1.61 BMP(16:0_16:0) RM0188190 6.72 BMP(16:0_16:1) RM0188191 6.2 BMP(16:0_18:0) RM0188192 6.64 BMP(16:0_18:1) RM0188193 6.5 BMP(16:1_18:1) RM0188210 6.5 BMP(18:0_18:1) RM0188226 6.47 BMP(18:1_18:1) RM0188241 5.8 BMP(18:1_18:2) RM0188242 5.29 BMP(18:1_22:5) RM0188254 5.62 BMP(18:1_22:6) RM0188255 5.09 BMP(18:2_22:6) RM0188269 4.75 BMP(20:4_22:6) RM0188332 4.65 BMP(22:5_22:5) RM0188358 5.1 BMP(22:5_22:6) RM0188359 4.95 BMP(22:6_22:6) RM0188360 4.53 DG(14:0_16:0) RM0134354 8.87 DG(14:0_18:2) RM0034314 8.12 DG(16:0_16:0) RM0134350 10.02 DG(16:0_16:1) RM0033929 9.15 DG(16:0_18:1) RM0034278 10.1 DG(16:0_20:4) RM0134345 9.31 DG(16:0_22:5) RM0033570 9.39 DG(16:0_22:6) RM0134353 9 DG(16:1_18:1) RM0033952 9.42 DG(18:0_18:1) RM0035650 10.15 DG(18:0_20:4) RM0134343 10.02 DG(18:1_18:1) RM0033995 10.02 DG(18:1_18:3) RM0134342 8.73 DG(18:1_20:3) RM0035676 9.99 DG(18:1_20:4) RM0034180 9.42 DG(18:1_20:5) RM0012583 8.69 DG(18:1_22:5) RM0171299 9.77 DG(18:1_22:6) RM0134360 9.14 DG(18:2_18:2) RM0134347 8.67 DG(18:2_20:4) RM0033561 8.49 DG(18:2_22:6) RM0035009 8.21 TG(51:0) [SIM] RM0114330 11.6 TG(51:1) [SIM] RM0134230 11.41 TG(51:2) [SIM] RM0134229 11.24 TG(54:0) [SIM] RM0064164 11.96 TG(54:1) [SIM] RM0138781 11.75 TG(54:6) [SIM] RM0062063 10.95 TG(54:7) [SIM] RM0134234 10.85 TG(56:6) [SIM] RM0110466 11.21 TG(56:7) [SIM] RM0134241 11.01 TG(56:9) [SIM] RM0134239 10.79 TG(58:10) [SIM] RM0134242 10.79 TG(58:8) [SIM] RM0134244 11.04 TG(58:9) [SIM] RM0134243 10.94 TG(48:0) [NL-16:0] RM0075447 11.37 TG(49:1) [NL-17:1] 11.31 TG(51:0) [NL-16:0] RM0115392 11.61 TG(51:2) [NL-15:0] RM0023184 11.26 TG(51:2) [NL-17:0] RM0027867 11.24 TG(51:2) [NL-17:1] RM0040810 11.24 TG(54:0) [NL-18:0] RM0071426 11.96 TG(54:1) [NL-18:1] RM0002732 11.75 TG(54:2) [NL-20:1] RM0061925 11.54 TG(54:4) [NL-20:3] RM0024270 11.25 TG(54:5) [NL-20:4] RM0061924 11.15 TG(54:6) [NL-20:4] RM0061147 11.01 TG(54:6) [NL-22:6] RM0116611 11.07 TG(54:7) [NL-22:6] RM0061959 10.87 TG(56:6) [NL-20:4] RM0087232 11.19 TG(56:6) [NL-22:5] RM0097404 11.12 TG(56:7) [NL-20:4] RM0061956 11.03 TG(56:7) [NL-22:6] RM0061960 11.1 TG(56:8) [NL-20:4] RM0097414 10.88 TG(56:8) [NL-22:6] RM0014927 10.91 TG(56:9) [NL-22:6] RM0061955 10.82 TG(58:10) [NL-22:6] RM0071536 10.85 TG(58:8) [NL-22:6] RM0071573 11.12 TG(58:9) [NL-22:6] RM0023682 10.97 TG(O-50:1) [NL-15:0] 11.62 TG(O-50:1) [NL-16:0] 11.66 TG(O-50:1) [NL-17:1] 11.66 TG(O-50:1) [NL-18:1] 11.66 TG(O-50:2) [NL-16:1] 11.52 TG(O-50:2) [NL-18:1] 11.48 TG(O-50:2) [NL-18:2] 11.51 TG(O-50:3) [NL-18:2] 11.32 TG(O-52:0) [NL-16:0] 12.08 TG(O-52:1) [NL-16:0] 11.92 TG(O-52:1) [NL-18:1] 11.92 TG(O-52:2) [NL-16:0] 11.69 TG(O-52:2) [NL-17:1] 11.67 TG(O-52:2) [NL-18:1] 11.69 TG(O-54:2) [NL-18:1] 11.91 TG(O-54:3) [NL-17:1] 11.78 TG(O-54:3) [NL-18:1] 11.71 TG(O-54:4) [NL-17:1] 11.59 TG(O-54:4) [NL-18:2] 11.54 CL(68:2) [PI-34:1] 10.73 CL(70:3) [PI-34:1] 10.74 CL(70:4) [PI-34:1] 10.7 CL(70:4) [PI-36:2] 10.71 CL(70:5) [PI-36:3] 10.55 CL(72:4) [PI-36:2] 10.77 CL(72:4) [PI-36:3] 10.75 CL(72:5) [PI-34:1] 10.67 CL(72:5) [PI-36:2] 10.71 CL(72:5) [PI-36:3] 10.71 CL(72:5) [PI-38:4] 10.72 CL(72:6) [PI-34:1] 10.6 CL(72:6) [PI-36:3] 10.68 CL(72:6) [PI-36:4] 10.67 CL(72:6) [PI-38:4] 10.65 CL(72:7) [PI-34:1] 10.52 CL(72:7) [PI-36:2] 10.6 CL(72:7) [PI-36:4] 10.5 CL(72:7) [PI-38:4] 10.65 CL(72:8) [PI-36:3] 10.5 CL(72:8) [PI-36:4] 10.5 CL(74:6) [PI-38:4] 10.75 CL(74:7) [PI-36:3] 10.69 CL(74:7) [PI-38:4] 10.64 CL(74:8) [PI-34:1] 10.57 CL(74:8) [PI-36:4] 10.6 CL(74:8) [PI-40:7] 10.6 CL(74:9) [PI-36:3] 10.5 CL(74:9) [PI-36:4] 10.5 CL(74:9) [PI-40:7] 10.52 CL(76:10) [PI-38:4] 10.52 CL(76:10) [PI-40:7] 10.55 CL(76:8) [PI-38:4] 10.67 CL(76:9) [PI-38:4] 10.67 CL(76:9) [PI-40:7] 10.62 Ubiquinone 4462 46234 HMDB0002012 C00399 RM0136148 10.86 CE(20:4) [+OH] 10.88 CE(22:6) [+OH] 10.68 LPC(18:2) [+OH] RM0048598 0.98 LPC(22:6) [+OH] RM0134493 1.56 PC(34:2) [+OH] RM0088700 4.77 PC(36:4) [+OH] RM0088699 5.38 PC(38:6) [+OH] RM0097851 5.22 METABOLITES_END #END