#METABOLOMICS WORKBENCH mshowalter_20190826_161918 DATATRACK_ID:1806 STUDY_ID:ST001246 ANALYSIS_ID:AN002070 PROJECT_ID:PR000833 VERSION 1 CREATED_ON August 28, 2019, 9:40 am #PROJECT PR:PROJECT_TITLE TFPa/HADHA is required for fatty acid beta-oxidation and cardiolipin re-modeling PR:PROJECT_TITLE in human cardiomyocytes PR:PROJECT_SUMMARY Mitochondrial trifunctional protein deficiency, due to mutations in hydratase PR:PROJECT_SUMMARY subunit A (HADHA), results in sudden infant death syndrome (SIDS) with no cure. PR:PROJECT_SUMMARY To reveal the disease etiology, we generated stem cell-derived cardiomyocytes PR:PROJECT_SUMMARY from HADHA-deficient hiPSCs and accelerated their maturation via a novel, PR:PROJECT_SUMMARY engineered MicroRNA Maturation Cocktail (MiMaC) that upregulated the epigenetic PR:PROJECT_SUMMARY regulator, HOPX. Fatty acid challenged MiMaC treated HADHA mutant cardiomyocytes PR:PROJECT_SUMMARY manifested the disease phenotype: defective calcium dynamics and repolarization PR:PROJECT_SUMMARY kinetics which resulted in a pro-arrhythmic state. Single cell RNA-seq revealed PR:PROJECT_SUMMARY a novel cardiomyocyte developmental intermediate, based on metabolic gene PR:PROJECT_SUMMARY expression. This intermediate gave rise to mature-like cardiomyocytes in control PR:PROJECT_SUMMARY cells but, mutant cells transitioned to a pathological state with reduced fatty PR:PROJECT_SUMMARY acid beta-oxidation (FAO), reduced mitochondrial proton gradient, disrupted PR:PROJECT_SUMMARY cristae structure and defective cardiolipin remodeling. This study reveals that PR:PROJECT_SUMMARY TFPa/HADHA, a MLCL-AT-like enzyme, is required for FAO and cardiolipin PR:PROJECT_SUMMARY remodeling, essential for functional mitochondria in human cardiomyocytes. PR:INSTITUTE UC Davis PR:LAST_NAME Showalter PR:FIRST_NAME Megan PR:ADDRESS GBSF 1313, 451 Health Sci Drive, Davis, Ca, 95616, USA PR:EMAIL mshowalter@ucdavis.edu PR:PHONE 530-752-9922 PR:FUNDING_SOURCE R01GM097372, R01GM083867 #STUDY ST:STUDY_TITLE TFPa/HADHA is required for fatty acid beta-oxidation and cardiolipin re-modeling ST:STUDY_TITLE in human cardiomyocytes (part-I) ST:STUDY_SUMMARY Mitochondrial trifunctional protein deficiency, due to mutations in hydratase ST:STUDY_SUMMARY subunit A (HADHA), results in sudden infant death syndrome (SIDS) with no cure. ST:STUDY_SUMMARY To reveal the disease etiology, we generated stem cell-derived cardiomyocytes ST:STUDY_SUMMARY from HADHA-deficient hiPSCs and accelerated their maturation via a novel, ST:STUDY_SUMMARY engineered MicroRNA Maturation Cocktail (MiMaC) that upregulated the epigenetic ST:STUDY_SUMMARY regulator, HOPX. Fatty acid challenged MiMaC treated HADHA mutant cardiomyocytes ST:STUDY_SUMMARY manifested the disease phenotype: defective calcium dynamics and repolarization ST:STUDY_SUMMARY kinetics which resulted in a pro-arrhythmic state. Single cell RNA-seq revealed ST:STUDY_SUMMARY a novel cardiomyocyte developmental intermediate, based on metabolic gene ST:STUDY_SUMMARY expression. This intermediate gave rise to mature-like cardiomyocytes in control ST:STUDY_SUMMARY cells but, mutant cells transitioned to a pathological state with reduced fatty ST:STUDY_SUMMARY acid beta-oxidation (FAO), reduced mitochondrial proton gradient, disrupted ST:STUDY_SUMMARY cristae structure and defective cardiolipin remodeling. This study reveals that ST:STUDY_SUMMARY TFPa/HADHA, a MLCL-AT-like enzyme, is required for FAO and cardiolipin ST:STUDY_SUMMARY remodeling, essential for functional mitochondria in human cardiomyocytes. ST:INSTITUTE UC Davis ST:LAST_NAME Showalter ST:FIRST_NAME Megan ST:ADDRESS UC Davis Genome Center, room 1313, 451 Health Sci Drive ST:EMAIL mshowalter@ucdavis.edu ST:PHONE 5307529922 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - KO_6DFA_01 Genoytpe:KO HADHA | Treatment:Control SUBJECT_SAMPLE_FACTORS - KO_6DFA_02 Genoytpe:KO HADHA | Treatment:Control SUBJECT_SAMPLE_FACTORS - KO_6DFA_03 Genoytpe:KO HADHA | Treatment:Control SUBJECT_SAMPLE_FACTORS - MUT_12DFA_01 Genoytpe:MUT HADHA | Treatment:12 Day Fatty Acid Supplementation SUBJECT_SAMPLE_FACTORS - MUT_12DFA_02 Genoytpe:MUT HADHA | Treatment:12 Day Fatty Acid Supplementation SUBJECT_SAMPLE_FACTORS - MUT_12DFA_03 Genoytpe:MUT HADHA | Treatment:12 Day Fatty Acid Supplementation SUBJECT_SAMPLE_FACTORS - MUT_12DFA_04 Genoytpe:MUT HADHA | Treatment:12 Day Fatty Acid Supplementation SUBJECT_SAMPLE_FACTORS - MUT_6DFA_01_inj01 Genoytpe:MUT HADHA | Treatment:6 Day Fatty Acid Supplementation SUBJECT_SAMPLE_FACTORS - MUT_6DFA_01_inj02 Genoytpe:MUT HADHA | Treatment:7 Day Fatty Acid Supplementation SUBJECT_SAMPLE_FACTORS - MUT_6DFA_01_inj03 Genoytpe:MUT HADHA | Treatment:8 Day Fatty Acid Supplementation SUBJECT_SAMPLE_FACTORS - MUT_6DFA_02_inj01 Genoytpe:MUT HADHA | Treatment:9 Day Fatty Acid Supplementation SUBJECT_SAMPLE_FACTORS - MUT_6DFA_02_inj02 Genoytpe:MUT HADHA | Treatment:10 Day Fatty Acid Supplementation SUBJECT_SAMPLE_FACTORS - MUT_6DFA_02_inj03 Genoytpe:MUT HADHA | Treatment:11 Day Fatty Acid Supplementation SUBJECT_SAMPLE_FACTORS - WT_12DFA_01 Genoytpe:WT HADHA | Treatment:12 Day Fatty Acid Supplementation SUBJECT_SAMPLE_FACTORS - WT_12DFA_02 Genoytpe:WT HADHA | Treatment:12 Day Fatty Acid Supplementation SUBJECT_SAMPLE_FACTORS - WT_12DFA_03 Genoytpe:WT HADHA | Treatment:12 Day Fatty Acid Supplementation SUBJECT_SAMPLE_FACTORS - WT_12DFA_04 Genoytpe:WT HADHA | Treatment:12 Day Fatty Acid Supplementation #COLLECTION CO:COLLECTION_SUMMARY hESC and hiPSC and cardiac differentiation: The hESC line RUES2 CO:COLLECTION_SUMMARY (NIHhESC-09-0013) and hiPSC line WTC #11, previously derived in the Conklin CO:COLLECTION_SUMMARY laboratory 83, were cultured on Matrigel growth factor-reduced basement membrane CO:COLLECTION_SUMMARY matrix (Corning) in mTeSR media (StemCell Technologies). A monolayer-based CO:COLLECTION_SUMMARY directed differentiation protocol was followed to generate hESC-CMs and CO:COLLECTION_SUMMARY hiPSC-CMs, as done previously 25. hiPSC-CM cardiolipin assay was done with a CO:COLLECTION_SUMMARY small molecule monolayer-based directed differentiation protocol, as done CO:COLLECTION_SUMMARY previously 84. 15 days after differentiation hPSC-CMs were enriched for the CO:COLLECTION_SUMMARY cardiomyocyte population using a lactate selection process 85. We generated CO:COLLECTION_SUMMARY cardiomyocyte populations ranging from 40-60% that were then enriched to 75-80% CO:COLLECTION_SUMMARY cardiomyocytes after 4 days of lactate enrichment. METABOLITE EXTRACTION: 1 CO:COLLECTION_SUMMARY million cells were extracted with 225 µl of methanol, after enzymatic lifting CO:COLLECTION_SUMMARY from cell culture plates. CO:SAMPLE_TYPE Cultured cells #TREATMENT TR:TREATMENT_SUMMARY HADHA Line Creation: Using LentiCrisprV2 plasmid 91 (lentiCRISPRV2 was a gift TR:TREATMENT_SUMMARY from Feng Zhang (Addgene plasmid # 52961) two different gRNAs targeted to Exon 1 TR:TREATMENT_SUMMARY of HADHA were designed using CRISPRScan 92. Sequences for the gRNAs can be found TR:TREATMENT_SUMMARY in Supplemental Table S12. The gRNA and Cas9 expressing plasmids were TR:TREATMENT_SUMMARY transiently transfected into the WTC line using GeneJuice (EMD Millipore). 24 TR:TREATMENT_SUMMARY hours after transfection, WTCs were puromycin selected for two days and then TR:TREATMENT_SUMMARY clonally expanded. DNA of the clones was isolated, the region around the TR:TREATMENT_SUMMARY targeting guides was PCR amplified (see guides in Supplemental Table S12) and TR:TREATMENT_SUMMARY sequenced to determine the insertion and deletion errors generated by TR:TREATMENT_SUMMARY CRISPR-Cas9 system in exon 1 of HADHA. Western analysis was performed to TR:TREATMENT_SUMMARY determine the levels of HADHA protein in HADHA mutants. 31 clones were sent for TR:TREATMENT_SUMMARY sequencing from gRNA1 experiment, 6 clones (19%) had no mutations while 25 TR:TREATMENT_SUMMARY clones (81%) were found to have mutations. 24 clones were sent for sequencing TR:TREATMENT_SUMMARY from gRNA2, 1 clone had no mutations (4%) while 23 clones (96%) were found to TR:TREATMENT_SUMMARY have mutations. Two of the mutant lines were analyzed further in this study. TR:TREATMENT_SUMMARY Glucose and Fatty Acid Media: The base media which we are calling Glucose Media, TR:TREATMENT_SUMMARY is RPMI supplemented with B27 with insulin. The fatty acid media is the glucose TR:TREATMENT_SUMMARY media with oleic acid conjugated to BSA (Sigma O3008): 12.7μg/mL, linoleic acid TR:TREATMENT_SUMMARY conjugated to BSA (Sigma L9530): 7.05μg/mL, sodium palmitate (Sigma P9767) TR:TREATMENT_SUMMARY conjugated to BSA (Sigma A8806): 52.5μM and L-carnitine: 125μM. Fatty acid TR:TREATMENT_SUMMARY (FA) experiments used this B27 + insulin + the three FAs (oleic acid, linoleic TR:TREATMENT_SUMMARY acid and palmitatic acid), in RPMI media. This media was changed every other day TR:TREATMENT_SUMMARY during the 6-days or 12-days of treatment. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY 1 million cells were extracted with 225 µl of methanol at −20°C containing SP:SAMPLEPREP_SUMMARY an internal standard mixture of PE(17:0/17:0), PG(17:0/17:0), PC(17:0/0:0), C17 SP:SAMPLEPREP_SUMMARY sphingosine, ceramide (d18:1/17:0), SM (d18:0/17:0), palmitic acid-d3, PC SP:SAMPLEPREP_SUMMARY (12:0/13:0), cholesterol-d7, TG (17:0/17:1/17:0)-d5, DG (12:0/12:0/0:0), DG SP:SAMPLEPREP_SUMMARY (18:1/2:0/0:0), MG (17:0/0:0/0:0), PE (17:1/0:0), LPC (17:0), LPE (17:1), and SP:SAMPLEPREP_SUMMARY 750 µL of MTBE (methyl tertiary butyl ether) (Sigma Aldrich) at −20°C SP:SAMPLEPREP_SUMMARY containing the internal standard cholesteryl ester 22:1. Cells were vortexed for SP:SAMPLEPREP_SUMMARY 20 sec, sonicated for 5 min and shaken for 6 min at 4°C with an Orbital Mixing SP:SAMPLEPREP_SUMMARY Chilling/Heating Plate (Torrey Pines Scientific Instruments). Then 188 µl of SP:SAMPLEPREP_SUMMARY LC-MS grade water (Fisher) was added. Samples were vortexed, centrifuged at SP:SAMPLEPREP_SUMMARY 14,000 rcf (Eppendorf 5415D). The upper (non-polar, organic) phase was collected SP:SAMPLEPREP_SUMMARY in two 350 µL aliquots and evaporated to dryness. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Re-suspended samples were injected at 3 µL and 5 µL for ESI positive and CH:CHROMATOGRAPHY_SUMMARY negative modes respectively, onto a Waters Acquity UPLC CSH C18 (100 mm length CH:CHROMATOGRAPHY_SUMMARY × 2.1 mm id; 1.7 µm particle size) with an additional Waters Acquity VanGuard CH:CHROMATOGRAPHY_SUMMARY CSH C18 pre-column (5 mm × 2.1 mm id; 1.7 µm particle size) maintained at CH:CHROMATOGRAPHY_SUMMARY 65°C was coupled to a Vanquish UHPLC System. To improve lipid coverage, CH:CHROMATOGRAPHY_SUMMARY different mobile phase modifiers were used for positive and negative mode CH:CHROMATOGRAPHY_SUMMARY analysis 103. For positive mode 10 mM ammonium formate and 0.1% formic acid were CH:CHROMATOGRAPHY_SUMMARY used and 10 mM ammonium acetate (Sigma–Aldrich) was used for negative mode. CH:CHROMATOGRAPHY_SUMMARY Both positive and negative modes used the same mobile phase composition of (A) CH:CHROMATOGRAPHY_SUMMARY 60:40 v/v acetonitrile:water (LC-MS grade) and (B) 90:10 v/v CH:CHROMATOGRAPHY_SUMMARY isopropanol:acetonitrile. The gradient started at 0 min with 15% (B), 0–2 min CH:CHROMATOGRAPHY_SUMMARY 30% (B), 2–2.5 min 48% (B), 2.5–11 min 82% (B), 11–11.5 min 99% (B), CH:CHROMATOGRAPHY_SUMMARY 11.5–12 min 99% (B), 12–12.1 min 15% (B), and 12.1–15 min 15% (B). A flow CH:CHROMATOGRAPHY_SUMMARY rate of 0.6 mL/min was used. CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Q Exactive HF Hybrid Quadrupole-Orbitrap CH:COLUMN_NAME Waters Acquity CSH C18 (100 x 2.1mm, 1.7um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive HF hybrid Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS For data acquisition a Q-Exactive HF Hybrid Quadrupole-Orbitrap Mass MS:MS_COMMENTS Spectrometer was used with the following parameters: mass range, m/z 100-1200; MS:MS_COMMENTS MS1 resolution 60,000: data-dependent MS2 resolution 15,000; NCE 20, 30, 40; 4 MS:MS_COMMENTS targets/MS1 scan; gas temperature 369°C, sheath gas flow (nitrogen), 60 units, MS:MS_COMMENTS aux gas flow 25 units, sweep gas flow 2 units; spray voltage 3.59 kV. LC-MS data MS:MS_COMMENTS processing using MS-DIAL and statistics: Untargeted lipidomic data processing MS:MS_COMMENTS was performed using MS-DIAL 104 for deconvolution, peak picking, alignment, and MS:MS_COMMENTS identification. In house m/z and retention time libraries were used in addition MS:MS_COMMENTS to MS/MS spectra databases in msp format 105. Features were reported when MS:MS_COMMENTS present in at least 50% of samples in each group. Statistical analysis was done MS:MS_COMMENTS by first normalizing data using the sum of the knowns, or mTIC normalization, to MS:MS_COMMENTS scale each sample. Normalized peak heights were then submitted to R for MS:MS_COMMENTS statistical analysis. ANOVA analysis was performed with FDR correction and post MS:MS_COMMENTS hoc testing. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS ng MS_METABOLITE_DATA_START Samples KO_6DFA_01 KO_6DFA_02 KO_6DFA_03 MUT_12DFA_01 MUT_12DFA_02 MUT_12DFA_03 MUT_12DFA_04 MUT_6DFA_01_inj01 MUT_6DFA_01_inj02 MUT_6DFA_01_inj03 MUT_6DFA_02_inj01 MUT_6DFA_02_inj02 MUT_6DFA_02_inj03 WT_12DFA_01 WT_12DFA_02 WT_12DFA_03 WT_12DFA_04 Factors Genoytpe:KO HADHA | Treatment:Control Genoytpe:KO HADHA | Treatment:Control Genoytpe:KO HADHA | Treatment:Control Genoytpe:MUT HADHA | Treatment:12 Day Fatty Acid Supplementation Genoytpe:MUT HADHA | Treatment:12 Day Fatty Acid Supplementation Genoytpe:MUT HADHA | Treatment:12 Day Fatty Acid Supplementation Genoytpe:MUT HADHA | Treatment:12 Day Fatty Acid Supplementation Genoytpe:MUT HADHA | Treatment:6 Day Fatty Acid Supplementation Genoytpe:MUT HADHA | Treatment:7 Day Fatty Acid Supplementation Genoytpe:MUT HADHA | Treatment:8 Day Fatty Acid Supplementation Genoytpe:MUT HADHA | Treatment:9 Day Fatty Acid Supplementation Genoytpe:MUT HADHA | Treatment:10 Day Fatty Acid Supplementation Genoytpe:MUT HADHA | Treatment:11 Day Fatty Acid Supplementation Genoytpe:WT HADHA | Treatment:12 Day Fatty Acid Supplementation Genoytpe:WT HADHA | Treatment:12 Day Fatty Acid Supplementation Genoytpe:WT HADHA | Treatment:12 Day Fatty Acid Supplementation Genoytpe:WT HADHA | Treatment:12 Day Fatty Acid Supplementation FA (8:0) (caprylic acid) [M-H]- 0.000108497 0.000108821 0.000100711 9.6093E-05 0.000370649 8.19595E-05 8.9597E-05 9.8436E-05 0.000110399 0.000115749 0.000108741 0.00011193 0.000121759 0.000106254 0.000103999 9.30365E-05 0.000106679 FA (10:0) (capric acid) [M-H]- 6.07128E-05 6.60486E-05 7.06015E-05 2.77216E-05 0.000124982 3.11948E-05 2.978E-05 6.34559E-05 5.60151E-05 6.67054E-05 7.39808E-05 7.26135E-05 7.34594E-05 6.41469E-05 6.45438E-05 1.42086E-05 7.28662E-05 FA (11:0) (undecylic acid) [M-H]- 0.000107384 0.000117462 0.000106881 0.000107938 0.00013524 0.000100355 0.000103644 0.000107224 0.000113072 0.0001201 0.000114659 0.000121439 0.000115271 0.000121068 0.000127986 5.8163E-05 0.000142234 FA (12:0) (lauric acid) [M-H]- 0.000538316 0.000498647 0.000566014 0.000781361 0.000355465 0.000732439 0.000660572 0.000559153 0.000549088 0.000587558 0.000445873 0.000492673 0.000505796 0.000492816 0.000475931 0.000479764 0.000604938 FA (14:0) (myristic acid) [M-H]- 2.3558E-05 2.07327E-05 2.20767E-05 1.68689E-05 9.12807E-06 1.74661E-05 1.44955E-05 4.73747E-06 6.38069E-06 4.05257E-06 4.02811E-06 3.82017E-06 4.30782E-06 4.10644E-06 2.57187E-06 1.59093E-07 2.821E-06 FA (14:1) (physeteric acid) [M-H]- 1.25306E-05 3.66095E-05 3.9095E-05 8.61173E-05 3.32299E-05 6.04362E-05 7.37597E-05 8.47275E-05 8.81169E-05 9.2778E-05 2.21176E-05 2.01818E-05 2.08099E-05 2.18605E-05 3.50112E-05 6.56548E-05 3.55457E-05 FA (15:0) (pentadecylic acid) [M-H]- 0.043606166 0.041231766 0.04895782 0.022854769 0.009383904 0.019619871 0.021067363 0.044208639 0.044386857 0.047100449 0.049184092 0.05421912 0.049236346 0.051332047 0.049333048 0.011004349 0.063410385 FA (16:0) (palmitic acid) [M-H]- 6.13645E-05 5.21551E-05 7.05241E-05 1.58143E-05 8.23435E-06 1.8054E-05 1.43059E-05 9.85491E-06 6.7437E-06 1.39254E-05 1.27513E-05 5.10231E-06 8.41222E-06 5.56338E-06 6.45095E-06 6.12729E-06 9.26176E-06 FA (16:1) (palmitoleic acid) [M-H]- 0.000270582 0.000239237 0.000304699 0.000405526 0.000165802 0.000410867 0.000333578 0.000311607 0.000326563 0.000352341 0.000277861 0.000312236 0.000296828 0.000288547 0.000273867 0.000249143 0.000335776 FA (17:0) (margaric acid) [M-H]- 0.063611031 0.063132366 0.075935807 0.068180036 0.037826655 0.054079434 0.052519257 0.070859513 0.076094838 0.074251691 0.074550236 0.071511776 0.080899233 0.08091593 0.072718285 0.032773891 0.084195841 FA (18:0) (stearic acid) [M-H]- 0.015807786 0.014398552 0.01478809 0.012503307 0.010345631 0.01286423 0.012835732 0.009716721 0.010152874 0.011617464 0.010803159 0.012301729 0.011663405 0.007854373 0.008635832 0.003656507 0.008369203 FA (18:1) (oleic acid) [M-H]- 0.004624005 0.00418112 0.004337606 0.001718242 0.000746087 0.001856768 0.002076846 0.001698606 0.001609927 0.001672922 0.001691467 0.001664139 0.001659303 0.002821689 0.002949062 0.001162054 0.003118678 FA (18:2) (linoleic acid) [M-H]- 0.000162344 0.000148307 0.000211021 0.000123222 9.89129E-05 0.00012882 0.000112277 9.64945E-05 9.67723E-05 9.96814E-05 0.000106838 0.000117121 0.0001075 0.000112544 0.000113874 7.62887E-05 0.000158505 FA (18:3) (linolenic acid) [M-H]- 0.000624172 0.000586386 0.000564718 0.001778508 0.000686871 0.002196085 0.001907548 0.000539773 0.000513462 0.000594047 0.000581816 0.000648607 0.000724339 0.000437708 0.000398883 0.000373535 0.000440585 FA (20:1) (eicosenoic acid) [M-H]- 9.60598E-05 8.87821E-05 6.80471E-05 0.000382673 0.000298137 0.000429668 0.000295388 0.000106994 9.57206E-05 0.000117612 0.000105102 0.000111252 0.000116799 4.64766E-05 4.93096E-05 3.97243E-05 4.78473E-05 FA (20:2) (eicosadienoic acid) [M-H]- 0.001150605 0.000979868 0.000845578 0.00311138 0.001080297 0.003248216 0.002154981 0.0018245 0.001888677 0.001969692 0.001768665 0.002290119 0.001905613 0.00023386 0.000193951 0.000140671 0.000222286 FA (20:3) (eicosatrienoic acid) A [M-H]- 0.000457038 0.000417917 0.000459854 0.000655771 0.000330567 0.000663542 0.00063883 0.000274705 0.000265554 0.000252847 0.000280937 0.000269526 0.000289291 0.000267524 0.000267161 0.000218509 0.000289945 FA (20:3) (homo-gamma-linolenic acid) B [M-H]- 0.003306175 0.003172784 0.002950489 0.010046295 0.003204656 0.012185658 0.00853188 0.002393552 0.002367425 0.002429696 0.002317365 0.00264019 0.002504039 0.002353933 0.00243634 0.001797903 0.00235588 FA (20:4) (arachidonic acid) [M-H]- 0.000149389 0.000135707 0.000138739 0.000196971 6.55948E-05 0.000231036 0.000186051 0.000120383 0.00013186 0.000137023 0.000135116 0.000137841 0.000143888 4.30485E-05 4.63887E-05 2.5776E-05 5.43849E-05 FA (20:5) (eicosapentaenoic acid) [M-H]- 0.000163684 0.000137659 0.000136705 0.000200002 0.000177115 0.000228906 0.000173992 0.000152545 0.0001455 0.000140183 0.000182563 0.000192272 0.000178403 0.000131858 0.000108137 2.63548E-05 0.000118647 FA 19:0; [M-H]- 5.93447E-05 5.4526E-05 5.61236E-05 0.000439495 6.58048E-05 0.000465627 0.000357873 5.7381E-05 6.10787E-05 6.68476E-05 7.69816E-05 7.63545E-05 7.80813E-05 2.6481E-05 2.40242E-05 1.87058E-05 2.75324E-05 FA 20:0; [M-H]- 4.46524E-05 5.4697E-05 5.7118E-05 3.48593E-05 0.000565075 3.79499E-05 2.86453E-05 4.14153E-05 4.47075E-05 4.94898E-05 5.13595E-05 5.62535E-05 5.25939E-05 4.77208E-05 4.93204E-05 2.27276E-05 5.6658E-05 FA (22:2) (docosadienoic acid) [M-H]- 0.000129344 0.000158411 0.000166718 0.000105049 8.89205E-05 0.000126578 7.88817E-05 4.99513E-05 3.03876E-05 0.000203815 0.000166588 3.441E-05 0.000196732 2.70824E-05 3.23923E-05 6.73591E-05 0.000199082 FA (22:6) (docosahexaenoic acid) [M-H]- 0.00071621 0.000697214 0.000889866 0.00064019 0.000425716 0.000663955 0.000628101 0.000726184 0.000734434 0.000835365 0.000735865 0.000764559 0.000845082 0.000857643 0.000904957 0.000370843 0.001201959 FA 22:0; [M-H]- 0.000264741 0.000291019 0.000306483 0.000250477 0.000284556 0.000232801 0.000201902 0.000346141 0.000341593 0.000330982 0.000354165 0.000367426 0.000349388 0.000362189 0.000354249 9.49926E-05 0.000420839 FA 22:1; [M-H]- 0.000169747 0.000148102 0.000151869 0.000423238 0.000255469 0.000471957 0.000358325 0.000126696 0.000117023 0.000136023 0.000136224 0.000141312 0.000139748 0.000166103 0.000140523 0.000120505 0.000151314 FA 22:3; [M-H]- 0.000616424 0.000486841 0.00039156 0.001638011 0.000951823 0.001962575 0.001324496 0.000573292 0.000577886 0.000596071 0.000686803 0.000685793 0.000782633 0.000194329 0.000160419 0.000111658 0.000172059 LPE (16:0) [M-H]- 127243.8 91561.82 90208.73 179098.3 122625.3 202613.2 155640.9 57444.55 50061.71 53737.19 45312.2 58302.64 41009.95 76589.8 94038.39 96165.73 60003.87 LPE (18:2) [M-H]- 14521.14 14973.26 15362 17298.69 461.0788 12670.53 9506.57 462.4532 8321.029 7970.588 7444.727 384.1158 9430.881 7894.871 8321.144 759.0453 9172.877 LPE (20:4) [M-H]- 168515 163587.3 211206.9 683767.5 172242.4 357881.5 246929.4 125312.8 133969.7 159524.7 153721.1 160574.2 146222 115475.8 122699.9 116291.1 116003.9 LPE (22:6) [M-H]- 412.5559 405.1426 357.6135 8544.294 6902.35 295.633 296.9968 462.4532 453.3138 434.3171 368.7517 384.1158 385.2327 394.862 361.0668 759.0453 350.8731 LysoPE 18:0; [M-H]- 599156.1 546663 446142.9 1385231 663571.7 1454304 1298024 323019.4 303539.9 316684.5 298005.5 333543.9 312444.5 407400.4 410014 395004.9 360594.4 LysoPE 22:4; [M-H]- 51053.38 42901.36 56462.17 149867.1 88316.88 75439.62 34879.6 9313.344 9330.559 15274.93 23742.44 16770.5 21085.33 32657.06 38339.51 18367.38 36618.52 PE (34:2) [M-H]- 993386 1358393 1286207 4974794 1481638 4365989 2964556 2324596 1701433 1753749 1766617 2333627 1911971 1035452 488094.9 425455.1 667361.1 PE (36:3) [M-H]- 30828896 32356221 28651106 21631534 6972596 19994261 22094258 57315571 54049196 49348800 52454851 48991541 45225932 9602226 11330773 11893737 13095556 PE (p-38:3) or PE (o-38:4) [M-H]- 68001769 78363409 66059763 45711403 40645102 57292955 51715654 72253810 83234475 74429675 74071043 65679922 77707865 39119899 34251147 41462553 33488595 PE (p-40:4) or PE (o-40:5) [M-H]- 14320386 15917300 7615324 18863572 17966610 20709583 17576125 22198958 21364109 22446659 22499934 25835623 20464984 22338101 9736151 7952027 9810882 PE (p-40:5) or PE (o-40:6) [M-H]- 1730441 1820853 1630647 5916625 11236480 8041608 7252887 2812674 2688671 1560396 1764268 2797733 2639017 1322616 4277000 5817840 3910553 PE 32:0; PE(16:0/16:0); [M-H]- 6876987 6544037 8589626 3800811 3782085 5062841 4867905 3871734 4172637 4673101 4045798 3982121 4332756 5050142 6113256 5940638 5408246 PE 32:1; PE(16:0/16:1); [M-H]- 2690599 3323092 3868431 1260271 2644716 1313486 891534.9 1694735 1655820 758237.9 893296.5 1461175 789939.7 1486829 1399039 1261892 951672.7 PE 32:2; PE(16:0/16:2); [M-H]- 2133727 3999151 3766369 9491654 9347029 9845315 9631716 4532313 4210456 7624492 10116509 10768520 8629328 1789155 3764867 598372 2164549 PE 34:1; PE(16:0/18:1); [M-H]- 59614259 63532682 66533218 50488710 71329409 51943732 51078057 64453317 58688475 60379285 52875107 58680526 55428602 59765606 51496466 75762652 58530286 PE 34:2; PE(16:0/18:2); [M-H]- 16747133 15984840 17995706 7400379 8453559 7542372 7558127 7907070 8282085 10582070 8363381 6899566 6994901 15917461 14927710 16954910 11018370 PE 34:3; PE(16:0/18:3); [M-H]- 4163794 7331581 7593664 5102569 13948793 5911604 6772357 3577160 3260839 6035396 7097112 7071157 6209960 3748549 7806726 2638974 4400724 PE 36:2; PE(18:1/18:1); [M-H]- 55303386 49658987 56642881 59181642 73197467 63524359 57948796 69937508 77838681 65088236 72159834 67572696 86602854 54385789 53353099 45700220 43106367 PE 36:3; PE(18:1/18:2); [M-H]- 45719597 42175420 54964362 16191969 12062274 18431880 23002815 32965886 34745457 33586358 29364488 30166086 27438036 56453878 56109854 39957210 39353055 PE 36:4; PE(16:0/20:4); [M-H]- 60423612 68964315 60471818 19503343 27413696 26698829 25203993 34494798 33898626 23838995 19141744 18992111 20083678 51534705 40702906 86484662 49584714 PE 36:5; PE(16:0/20:5); [M-H]- 1586961 2100655 1949328 440345.9 608929.1 467806.4 704094.5 2365931 2569610 2667339 2101911 2705414 2743174 475077.9 546319 948769.4 598741.2 PE 38:1; PE(18:0/20:1); [M-H]- 4994379 4381334 4725001 5952354 5304825 7326741 4863181 6553874 6799268 7449698 6481054 6726007 5879175 5684969 5402194 5240188 5857988 PE 38:2; PE(18:0/20:2); [M-H]- 1421392 2380064 4599701 3520193 4093168 2657299 1755126 4678478 4085029 2128707 2922802 2395821 3020603 1607054 1776376 1294815 2286590 PE 38:2; PE(18:1/20:1); [M-H]- 7502357 7477564 7642208 10565565 7840156 10160715 7114627 10224697 9325211 9408551 10127619 11176967 9369527 7869355 9415946 8743762 8978585 PE 38:3; PE(18:0/20:3) A; [M-H]- 22741231 23186469 24114508 13509816 9326800 14688617 13725242 27735574 17019334 20259145 12811946 16109296 17737728 18848382 20283010 13828261 25622842 PE 38:3; PE(18:0/20:3) B; [M-H]- 88801130 93037265 84802977 53970904 13498797 47332122 56724036 1.25E+08 1.16E+08 1.18E+08 1.21E+08 1.27E+08 1.23E+08 34263053 35887257 24968806 35851515 PE 38:4; PE(18:0/20:4); [M-H]- 2.51E+08 2.32E+08 2.37E+08 2.26E+08 1.51E+08 2.30E+08 2.70E+08 1.97E+08 1.96E+08 1.90E+08 2.13E+08 2.08E+08 2.02E+08 3.13E+08 2.95E+08 2.70E+08 3.13E+08 PE 38:4; PE(18:1/20:3); [M-H]- 45995561 45532414 49532783 1.55E+08 1.59E+08 1.33E+08 1.11E+08 56071735 49662519 63241193 55008283 56214175 58361256 81695248 1.07E+08 1.15E+08 1.22E+08 PE 38:5; PE(18:0/20:5); [M-H]- 8251881 9850010 9248547 4558322 12838993 4576488 2029635 9728721 11289840 12194724 10186177 8558322 8707155 4977369 4372607 5302768 2431829 PE 38:5; PE(18:1/20:4); [M-H]- 84438441 72475548 76651342 61541611 60435898 63453039 78710675 63203596 74904262 76719253 67130969 70486528 66694057 67079275 68599872 90630332 68674977 PE 38:6; PE(16:0/22:6); [M-H]- 3695704 6308335 6660947 7265127 6308351 7672058 10976217 4426138 4437024 8579691 11396920 9987473 9102755 2326880 6986901 2907809 2402501 PE 40:2; PE(18:0/22:2); [M-H]- 773155.1 616573.5 1026699 874085.6 1689754 1088937 777392.7 1399244 1447850 1114909 1283573 1202551 1351000 850414.4 465742.9 658338.4 1072260 PE 40:2; PE(18:1/22:1); [M-H]- 1154195 1161721 1073541 1866475 3243272 1974393 1779619 1734886 1689636 1896558 1593961 1595332 1487302 2320169 1954639 1321624 1759102 PE 40:3; PE(18:0/22:3); [M-H]- 25582121 26180671 22471013 25255090 35671204 24342037 19126798 30771663 35866642 35783431 33138263 31327577 29792249 20954579 18338994 12312328 19447649 PE 40:4; PE(18:0/22:4); [M-H]- 15923327 18879583 22478553 49716810 1.05E+08 42604557 35729044 12799058 12787613 11739908 13991113 16046650 15118095 48106674 53453444 38247257 47627058 PE 40:4; PE(18:1/22:3); [M-H]- 175225.4 4969.482 4575.329 2531.102 3593.096 2571.354 2522.479 228981.7 5808.406 14435755 14135740 14295535 13962795 5509.364 260370.2 624093.2 5266.298 PE 40:5; PE(18:0/22:5) A; [M-H]- 16884003 14838838 17764569 10684479 9942013 11233432 11262935 13956862 16060755 13209420 14931040 13909545 18041706 13308045 12515248 11843532 10001311 PE 40:5; PE(18:0/22:5) B; [M-H]- 1706373 2912335 2860743 7223314 17681487 590858.5 6064582 2441583 2407602 2479532 2017794 2211920 2216533 4092185 3982872 7352395 3534313 PE 40:5; PE(18:1/22:4); [M-H]- 13375779 11836222 3526050 37388138 60026985 45565088 34557360 10262301 12505563 13193400 13944760 13853895 14571914 24522244 28254330 24303361 22998725 PE 40:6; PE(18:0/22:6); [M-H]- 22046108 21355861 24076222 29130057 19002679 27933385 26639901 29888024 28235262 25142178 28297809 27203604 24620754 12375094 16784597 11585906 18328540 PE 42:1; PE(24:0/18:1); [M-H]- 4466.162 114387.5 148281.8 826004.8 1243110 889590.7 682542.5 151624.2 183446.9 114180.2 123123.4 136011.4 328497.6 589711.3 666801.8 363023.1 520189.1 PE 42:2; PE(18:1/24:1); [M-H]- 199128.3 149457.2 305275.1 1066963 1854605 1226086 803735 550300.8 235740 255926.9 291506 253512.4 340817.7 598372 587507.3 378388.4 580372.4 PE 42:5; PE(22:1/20:4); [M-H]- 1315182 1372556 1339176 2502313 4954602 2394514 1622701 1461437 1030301 867578.2 1067768 1272757 689964.9 1565563 1888490 2610427 1974699 LPC (20:0) [M+H]+ 71605.99 33301.1 115724.1 208092.2 74153.21 180888.9 247703.3 44474.75 39393.36 40599.7 93298.91 56061.36 77706.83 120438.7 67920.85 90738.41 91693.67 LPC (20:2) [M+H]+ 65227.45 40849.61 42473.24 107662.5 22368.66 78155.07 130192.1 21335.1 26031.62 27177.96 35318.11 30848.39 22404.89 37782.85 39083.53 31014.88 113344.6 LPC (22:4) [M+H]+ 978.3041 1065.874 25221.56 27106.58 14141.64 23784.6 26711.12 1153.062 1145.456 1177.759 14996.39 17127.26 933.965 10240.39 11519.04 1479.294 12054.03 LPC (22:6) [M+H]+ 978.3041 1065.874 19861.54 586.6082 785.9958 600.2878 14180.94 1153.062 22164.57 1177.759 15032.24 16584.76 15615.9 19515.69 13768.12 1479.294 887.3696 LPC (o-16:0) [M+H]+ 481075.2 488072.1 391545.6 582372.3 255991.8 557639.8 629175.5 289042.6 298821.9 317045.6 307877 251219.9 269454.5 655126.3 715339.5 225074.6 637441.1 LPC (p-16:0) or LPC (o-16:1) [M+H]+ 641522.9 582868.8 516846 1190473 472249.9 1298988 1240508 444998.9 387957.8 425682.1 416234.3 410651.4 387830.9 897045.2 780779.1 506968.8 734716.3 LPC (p-18:0) or LPC (o-18:1) [M+H]+ 222156.2 248841 206130.9 341616.5 204157.7 372074 375944.4 175080.9 153165.7 213005.9 174080 167496.2 182194.2 285860.1 267022 112176.3 218182.9 LPC(14:0) [M+H]+ 39342.5 57531.61 49609.72 108828.7 48089.58 110340.1 120280.9 74512.01 23492.15 64028.86 43452.41 37812.77 36709.5 59980.99 59079 1479.294 47756.46 LPC(15:0) [M+H]+ 37094.36 30046.98 35539.31 61817.94 29398.6 72821.52 110177 17659.14 1145.456 25308.86 16717.24 19288.61 22504.82 27156.02 54074.17 22193.85 19545.2 LPC(16:0) [M+H]+ 11443948 10331290 10531491 18963909 7534952 21279159 27859022 8210170 8062401 9642151 8401923 8428501 8941633 12805156 13483674 8310620 12643454 LPC(16:1) [M+H]+ 69703.19 108583.8 85734.36 172290.9 147775.1 192805.8 178518 77716.37 88779.68 102626.4 99683.3 89328.48 86655.15 92238.09 107248 39186.5 92574.83 LPC(18:1) [M+H]+ 2322107 2237917 2092539 2930146 1618112 3437195 3596743 1626087 1648173 2199362 1869746 1877850 1767583 1599481 1632500 1114058 1682616 LPC(18:2) [M+H]+ 280497.4 246209.4 246747.8 150189.9 53244.93 168377.7 243106.6 93893.83 107029.1 132305.9 103494.2 103000.8 93545.01 208237.7 227380.6 95219.19 237418.4 LPC(18:3) [M+H]+ 978.3041 1065.874 929.1079 586.6082 785.9958 600.2878 607.7893 1153.062 1145.456 1177.759 968.9467 956.7765 933.965 980.7867 882.6851 19563.66 887.3696 LPC(20:3) [M+H]+ 35162.21 18210.45 41765.26 53869.4 22425.25 43144.49 63636.14 55878.53 58372.42 50320.92 78313.18 69039.08 27772.38 42979.06 37685.36 31460.14 28453.51 LPC(20:4) [M+H]+ 180880.6 215711.5 258647.8 528628.4 232363.2 411485.9 342806.5 209615.1 232186.1 293942.7 262909.2 244882.2 245609.5 394464.6 356543.9 256910.5 445636.1 LPC(20:5) [M+H]+ 978.3041 1065.874 929.1079 586.6082 785.9958 600.2878 607.7893 1153.062 1145.456 1177.759 968.9467 956.7765 933.965 980.7867 882.6851 1479.294 887.3696 LPC(22:5) [M+H]+ 978.3041 1065.874 32524.35 21641.15 13631.53 34295.64 26241.91 1153.062 1145.456 20602.53 17029.24 12559.61 933.965 980.7867 16009.26 1479.294 25207.51 LysoPC 18:0; [M+H]+ 4588421 4158109 7128728 19819437 5852527 21097304 26908661 4945821 4675281 5240708 5422753 5246333 5674928 7821040 6293844 4691823 6702094 PC (16:0/9:0(CHO)) [M+H]+ 25436.89 72409.07 61996.58 138888.9 16346.36 36423.66 108055.8 105878.8 118552.4 2736407 69465.73 114035.3 53746.89 36612.77 32256.84 102358.3 104725.6 PC (32:3) [M+H]+ 9732076 9699407 9109455 4813038 8467001 5471942 6097508 6959978 6617471 5986659 5902424 7007979 6129147 8777699 9227227 5606252 8570264 PC (37:3) [M+H]+ 670467 617001.3 782120.2 535819.6 264660.5 633875.1 584617.9 541208.1 647725.3 708615.1 602465.9 776725.5 646893.1 980.7867 106601 1479.294 887.3696 PC (39:6) [M+H]+ 978.3041 134415.2 929.1079 586.6082 785.9958 600.2878 607.7893 1153.062 1145.456 1177.759 148159.7 149298.3 94139.94 980.7867 882.6851 1479.294 887.3696 PC (42:5) [M+H]+ 701387.3 664836.7 634262 3033395 7563742 3242874 2277617 1014522 992195.9 942197.6 1206582 1259924 1241584 1240549 1008836 1742043 1154598 PC (42:6) [M+H]+ 1025110 990197.8 834846.2 2162164 3249272 2077230 1751150 2166233 2007090 2271507 2606347 2593264 2707453 583974.2 627117.8 1036405 640456.3 PC (p-32:0) or PC (o-32:1) [M+H]+ 89504060 83359979 90825960 87589441 98366612 87775412 79137979 67200258 75561416 79942744 67281186 60422994 66284448 1.14E+08 1.09E+08 74840279 1.10E+08 PC (p-36:3) or PC (o-36:4) [M+H]+ 1.05E+08 1.25E+08 1.12E+08 96262779 76022009 97263731 95340465 98996362 1.03E+08 1.18E+08 1.01E+08 98432733 83834745 1.76E+08 1.73E+08 85268127 1.68E+08 PC (p-38:2) or PC (o-38:3) [M+H]+ 10336863 6793720 6964318 13614800 8932791 12395091 12457232 11549008 11706719 10246730 11113624 11821670 11922545 6806763 6038399 1069732 6715084 PC (p-40:1) or PC (o-40:2) [M+H]+ 109512.3 110984.1 335349.4 144514.4 95302 141376.8 163331.2 88352.21 203747.9 112496 108841.8 84676.64 117584.3 91252.4 123382.6 95500.26 106222.6 PC (p-40:7) or PC (o-40:8) [M+H]+ 449830.1 489285.1 299957.8 1260163 721074.2 813940.5 966990.3 848115.1 1026125 1055890 1143844 1066949 843112.7 696003.5 769024.4 250580.6 789759.8 PC (p-42:3) or PC (o-42:4) [M+H]+ 76039.67 43108.2 40326.07 119056.2 36451.34 102208 108297.1 67247.72 62388.38 35548.29 62835.22 85218.17 73733.74 64746.64 84995.51 51220.55 73739.53 PC (p-44:5) or PC (o-44:6) 978.3041 1065.874 929.1079 65295.94 45641.21 79663 60516.97 1153.062 1145.456 1177.759 968.9467 26628.05 933.965 43690.13 882.6851 52392.15 887.3696 PC 30:1; PC(14:0/16:1); [M+H]+ 4469517 6088705 5950850 27976083 36583107 32250737 18236557 1872840 3560637 5254060 2782874 2658084 3233920 3428845 5086362 1472986 3107058 PC 30:2; PC(15:1/15:1); [M+H]+ 168798.6 222676 167313.7 2228557 1945565 2867300 1291643 269410.6 285737.3 239182.8 373217.9 446847.2 358999.4 145393.8 124099.3 83139.28 95858.99 PC 32:0; PC(16:0/16:0) A; [M+H]+ 14462620 10477502 19289337 8925171 20092140 14002620 10789175 10482933 10368617 5765027 10315034 7491482 6682968 15849305 5097386 16090396 6378870 PC 32:0; PC(16:0/16:0) B; [M+H]+ 3519441 2451963 3005007 4424792 4489188 3130059 3857565 3409070 3837213 2772878 2809730 3016978 2387036 2572632 2504692 2673238 3719802 PC 32:1; PC(16:0/16:1); [M+H]+ 9732034 14467333 10865920 59886997 35844105 36250897 20911320 18863781 16136273 17476492 30210712 31604051 17602622 5202385 6540718 4966253 8777265 PC 32:2; PC(16:0/16:2); [M+H]+ 14886758 15132861 14726724 53647777 43621507 69131982 43969805 27506499 23634743 25010262 31098785 24861095 27670762 8957742 10796231 7981025 11992165 PC 32:3; PC(16:0/16:3); [M+H]+ 1262922 1043877 1471112 5736654 4314297 6657058 5329795 543912 412723.7 662819.1 426079.8 338496.1 541342 2974555 3467258 916833.8 3764527 PC 32:3; PC(16:1/16:2); [M+H]+ 1004737 960108.2 1137181 3514695 4347528 6037417 3572506 643214.8 631259.4 731124.4 951547.3 832494.1 782109.8 1640176 2844715 902614.9 2818021 PC 34:2; PC(17:1/17:1); [M+H]+ 93236110 84156451 58995623 97939997 80186541 1.14E+08 69652834 74804388 85067240 81108283 83333502 84261487 85823401 86315000 82129400 60951750 88331225 PC 35:1; PC(17:0/18:1); [M+H]+ 4579547 1903804 3573027 8593185 4332521 8240263 5982260 3234514 5641506 6664776 6479815 3291654 6426900 1522319 1481735 1136913 1411817 PC 36:0; PC(18:0/18:0); [M+H]+ 3167917 3417546 2815204 7136315 4051835 7359340 6484227 3510308 3921953 3009143 4268869 3940924 3346683 3089993 2911629 1983013 3310797 PC 36:3; PC(16:0/20:3); [M+H]+ 78452761 1.07E+08 81138962 1.07E+08 71247963 82832949 98282188 1.72E+08 1.76E+08 2.02E+08 1.89E+08 1.97E+08 1.78E+08 29753719 31749964 36751182 34375136 PC 38:3; PC(18:0/20:3); [M+H]+ 41221377 35608301 29967827 35218152 26816687 44256985 34373704 93570731 93951799 98889732 1.08E+08 1.06E+08 1.02E+08 14195218 15724229 7938055 30643727 PC 38:3; PC(18:1/20:2); [M+H]+ 40433956 43066133 29776050 53304967 62934089 43717426 50306401 28420833 31797906 31141578 26687662 28796539 21452863 22438804 20273197 23628323 30163549 PC 38:5; PC(16:1/22:4); [M+H]+ 8819876 9677071 13234885 35441211 55791512 31540820 19244179 4044049 9812013 10349179 4673995 6909525 5196316 11452937 6568745 7151237 11215517 PC 40:3; PC(18:0/22:3); [M+H]+ 5317793 5621419 4025525 16155076 22320460 20634822 13706449 9829641 9416896 8699876 13056438 12773368 11981936 4361091 4472940 1377480 4920775 PC 40:3; PC(18:1/22:2); [M+H]+ 3917866 3334967 2645211 7608146 11188506 8455636 3664640 5588696 5078896 6076355 6672264 6152034 5736681 2092289 2128705 1620393 2147001 PC 40:4; PC(18:1/22:3); [M+H]+ 11841928 10869228 7818576 33077802 42955223 32917597 26199143 21277839 18857487 16210848 24791906 24138580 25026959 5938448 5893817 5481352 6411753 PC 40:5; PC(18:1/22:4); [M+H]+ 8240039 7843772 8037077 22345297 49537520 23763412 18031555 10907961 10488908 11720770 11891598 12923807 12260508 12039216 14432375 15712751 15803451 PC 42:5; PC(22:1/20:4); [M+H]+ 1104778 888635 1042397 2984622 6541036 2986041 2307731 1123559 1087446 1045113 1373523 1550246 1172644 920535 801947.7 1103812 870348.1 PC 42:7; PC(22:3/20:4); [M+H]+ 2278025 671765.9 2222722 8829514 14302161 8951965 6851752 5620102 4881501 3942147 1044618 6548355 5418489 1214163 1145624 1952212 1513017 PC 44:8; PC(22:4/22:4); [M+H]+ 124132.1 94610.16 318551.1 1031660 3133577 898985.1 582239 293174.1 177648.7 184148.5 304693 364430.4 355141.1 299107.6 272525.5 443387.3 281471.9 PC(28:0) [M+H]+ 2833401 2362357 2233246 9729126 6082342 10092347 6817582 2291584 2287530 2890253 3485249 2553614 2839885 2247708 2695723 1103284 2379494 PC(30:0) [M+H]+ 2.37E+08 2.42E+08 2.51E+08 3.75E+08 4.11E+08 3.52E+08 3.50E+08 1.82E+08 2.15E+08 2.15E+08 2.09E+08 2.30E+08 1.96E+08 2.07E+08 1.84E+08 1.24E+08 2.27E+08 PC(31:0) [M+H]+ 9396136 8071240 7910387 20730214 19819204 19623820 13466100 6436079 6680633 6497024 9189271 8671284 7700751 6549935 8167002 4525397 7645987 PC(31:1) [M+H]+ 708900.7 680822.6 537265 2707655 2977588 2746355 1530924 706354.2 633323.5 596951.8 823584.4 763829.1 974824.2 300335.5 391088.6 188067.1 389438.1 PC(32:0) [M+H]+ 9.12E+08 9.07E+08 9.45E+08 8.75E+08 1.27E+09 9.24E+08 8.49E+08 8.69E+08 8.00E+08 8.44E+08 7.95E+08 7.96E+08 8.53E+08 8.71E+08 8.40E+08 9.12E+08 9.52E+08 PC(32:1) [M+H]+ 3.17E+08 3.15E+08 2.89E+08 3.59E+08 4.23E+08 4.34E+08 3.21E+08 3.24E+08 3.46E+08 2.62E+08 2.15E+08 2.87E+08 3.45E+08 1.83E+08 2.27E+08 1.85E+08 2.41E+08 PC(32:2) [M+H]+ 45615094 37631809 45585084 52092157 37686045 51127461 65673968 18482903 14264149 10351173 21286282 18308548 18240502 27540333 32895319 11098872 27457490 PC(33:0) [M+H]+ 6784753 6430313 5261929 11356539 8066715 11332977 8669129 5729354 4574175 5340008 6145572 6919109 5701963 3489451 3413658 2449782 4337994 PC(33:1) [M+H]+ 16059058 15854235 15179055 24776670 19614998 25884565 21703649 15703473 17418927 15865376 20124353 20273454 21306130 8340243 9262959 7422149 9197372 PC(33:2) [M+H]+ 3876083 3423295 3918228 2714739 1480555 3115661 2631869 1993600 1832656 1922701 2048565 1476121 1561986 2132405 2277456 1912206 2258015 PC(34:0) [M+H]+ 1.55E+08 1.46E+08 1.17E+08 2.60E+08 2.09E+08 2.89E+08 2.22E+08 1.64E+08 1.19E+08 1.34E+08 1.62E+08 1.61E+08 1.76E+08 1.49E+08 1.39E+08 87893604 1.49E+08 PC(34:1) [M+H]+ 2.09E+09 2.11E+09 2.10E+09 1.64E+09 1.59E+09 1.50E+09 1.59E+09 2.55E+09 2.46E+09 2.30E+09 2.36E+09 2.64E+09 2.45E+09 2.03E+09 2.04E+09 2.53E+09 1.91E+09 PC(34:2) [M+H]+ 1.46E+09 1.53E+09 1.49E+09 7.51E+08 5.52E+08 7.14E+08 1.02E+09 9.96E+08 8.61E+08 1.07E+09 8.66E+08 7.84E+08 8.28E+08 1.49E+09 1.35E+09 1.54E+09 1.24E+09 PC(34:3) A [M+H]+ 31865376 29056360 29414511 28508859 12098567 31335701 32644262 7056334 7407755 8276909 7265293 8468850 9331381 20061023 19356033 8596504 17587673 PC(34:3) C [M+H]+ 51206536 54428885 61864110 53312363 32605185 45391206 37091361 55380295 45664095 51481849 51883902 42002834 43343898 32744797 37523756 43967767 39134266 PC(34:4) [M+H]+ 16474991 14566769 16570142 44482459 27521691 43379915 39210961 8488051 7858660 14294004 9776708 1120623 9032097 22107421 23714094 9318429 23673343 PC(35:1) [M+H]+ 14263042 14521608 11333199 20025496 10696973 19402932 19230545 14505341 17927885 18077790 19875707 18634178 18767155 8982038 8943906 12258160 10208921 PC(35:2) A [M+H]+ 5390771 6585862 3178184 5486126 4957562 5934215 5227271 3835114 5446717 4485219 5327794 4846338 4861494 1115293 2875142 3053513 1096095 PC(35:3) [M+H]+ 1682537 1652521 1601389 1135727 1070970 1435316 1285346 1103796 1072245 890642.4 1102625 1236859 903221.7 483557.3 597997.1 462307.5 745878.5 PC(35:4) [M+H]+ 1676613 1555020 1499939 5401489 2468737 4747990 3617506 1188886 1235912 1197285 1340586 1298046 1369140 1604835 1798587 1120820 2031086 PC(36:1) [M+H]+ 2.68E+08 2.60E+08 2.83E+08 4.35E+08 3.26E+08 4.19E+08 4.30E+08 4.57E+08 4.11E+08 4.64E+08 5.02E+08 5.25E+08 5.60E+08 3.43E+08 3.49E+08 1.98E+08 3.97E+08 PC(36:2) [M+H]+ 4.79E+08 4.55E+08 4.24E+08 6.38E+08 6.60E+08 7.26E+08 6.45E+08 7.00E+08 8.35E+08 7.39E+08 7.61E+08 7.17E+08 7.56E+08 4.23E+08 3.77E+08 4.51E+08 3.80E+08 PC(36:3) A [M+H]+ 5.87E+08 5.70E+08 5.70E+08 4.06E+08 2.67E+08 3.29E+08 4.05E+08 3.94E+08 3.99E+08 4.64E+08 4.72E+08 4.18E+08 3.58E+08 4.22E+08 4.28E+08 3.73E+08 4.54E+08 PC(36:3) B [M+H]+ 2.94E+08 2.93E+08 3.09E+08 2.14E+08 1.85E+08 1.68E+08 2.47E+08 2.43E+08 2.54E+08 2.36E+08 2.48E+08 2.42E+08 2.48E+08 2.30E+08 2.40E+08 2.50E+08 2.18E+08 PC(36:4) A [M+H]+ 92112870 91527329 76661805 33677084 16104144 28586099 41529158 22490823 22992858 24229238 19068059 18788677 19787745 64348226 57964075 28917451 63163759 PC(36:4) B [M+H]+ 9251602 10155107 14665711 20565464 28800598 28239475 16761599 12755025 18015632 23060871 15174672 22253441 20660971 13849264 13395239 21568237 9497240 PC(36:4) C [M+H]+ 9.33E+08 8.53E+08 9.85E+08 8.48E+08 8.86E+08 8.81E+08 9.01E+08 7.98E+08 8.74E+08 7.88E+08 8.51E+08 7.71E+08 8.38E+08 9.57E+08 1.18E+09 1.33E+09 1.14E+09 PC(36:5) C [M+H]+ 10844683 10685756 11748322 34715554 32809686 47797424 35085834 9425676 7333252 5582607 13098585 11482597 11112498 8421839 11285486 4688189 10018213 PC(36:5) D [M+H]+ 30915055 33040055 35034915 25091031 41149388 40163482 31262010 38849141 43269053 38317493 40031479 37957506 37804884 11716498 12032916 8987721 11599622 PC(36:5)A [M+H]+ 1166552 1097854 1092020 434425 173733.4 460287.5 489557.8 370692.1 421810.6 461229.2 353602.6 263241.8 237114.1 830992.2 606852.2 298021.5 719832.4 PC(36:6) [M+H]+ 450993.3 78924.76 79275.2 2116700 1324029 2631404 1723247 655846.6 610644.7 636517.4 959861.9 735383.2 940009.7 79964.52 332187.1 223286.1 77575.62 PC(37:4) [M+H]+ 4035875 4061378 5204275 8845622 5610849 11566905 8161157 4076625 4059004 4732324 4792144 4545538 4787856 3864528 4633595 2551597 4689040 PC(37:5) [M+H]+ 268463.3 404689.9 266202.4 682935.1 802240.8 710057.1 806143.7 414161.4 645971.7 352670.5 649666.2 923212.8 494127.3 72866.57 103952.9 207238.7 112796.2 PC(38:1) [M+H]+ 4744955 6620549 4150606 11718216 11454720 11939217 10434318 7916400 5023560 5664798 9040537 7422758 7587289 4281835 4930523 4081134 5218113 PC(38:2) [M+H]+ 26436590 21978047 21826355 49493009 51680386 58141757 44600378 34028577 38085074 37155850 44907509 54780783 45791189 20752423 16998017 18411122 20225650 PC(38:3) [M+H]+ 97985597 95799468 81633805 1.20E+08 1.33E+08 1.07E+08 1.22E+08 1.11E+08 1.15E+08 1.22E+08 1.46E+08 1.14E+08 1.20E+08 78960779 77539946 66366037 83764104 PC(38:4) A [M+H]+ 73453627 54266450 59439264 78630038 87476583 96923866 92225028 69867701 65930466 94246804 75767276 69295612 68663287 41471845 40677067 46771748 46984253 PC(38:4) B [M+H]+ 64979212 68742317 85551184 2.06E+08 3.12E+08 1.82E+08 1.77E+08 60671004 46903753 62244930 43139809 57139785 71242704 1.46E+08 1.46E+08 1.61E+08 1.48E+08 PC(38:4) C [M+H]+ 1.85E+08 1.50E+08 1.77E+08 2.13E+08 2.60E+08 2.37E+08 1.88E+08 1.85E+08 2.16E+08 1.60E+08 2.07E+08 1.72E+08 1.70E+08 3.66E+08 3.12E+08 2.19E+08 2.80E+08 PC(38:5) A [M+H]+ 2.01E+08 2.25E+08 2.00E+08 3.26E+08 3.77E+08 3.15E+08 3.52E+08 2.55E+08 2.48E+08 2.65E+08 3.20E+08 2.59E+08 2.61E+08 1.90E+08 2.18E+08 2.19E+08 2.26E+08 PC(38:5) B [M+H]+ 16775159 16188450 8357845 26363588 40485586 30910547 15991453 22375722 25515772 21127695 27528150 26322281 27639911 12331989 8969678 12209696 7372346 PC(38:6) A [M+H]+ 31095356 32221907 34562083 34859362 24944682 37435378 43746774 12831586 16659434 22431452 14217453 14675097 16634978 33901461 33496764 15767134 32414918 PC(38:6) B [M+H]+ 10727901 10012008 9847826 15767220 14981040 18801394 21545949 18575089 18553486 23053953 17016766 19929387 17923665 6101934 7294797 8424878 8474642 PC(38:6) C [M+H]+ 8568611 8993039 7497512 3350787 4000685 3266682 3133195 10743446 11543356 11738829 10338708 9817381 8795970 8540914 8856286 12983517 8254385 PC(38:7) [M+H]+ 339143.8 323142 422401.2 1325065 1566703 1440215 1212934 355585.8 268499.4 427892.7 330093 272799 221379.6 271458.2 318199.2 209564.2 355516.6 PC(40:4) [M+H]+ 13891452 12671413 14140347 48920658 1.15E+08 52823504 40685051 17949457 16973134 18347278 21844082 21143950 19735107 33201193 38657671 25144521 49858468 PC(40:5) A [M+H]+ 18202785 18785907 16199373 26784200 31205550 29169107 25016591 22875374 27188373 23688329 23716618 25578578 27133250 18034142 18241630 18745898 17906396 PC(40:5) B [M+H]+ 610378.6 865719.8 393167.8 3777328 10911847 3708020 2907105 711148.6 1253734 763261.9 1158266 968323.9 1064241 1426451 1262570 1481261 1489876 PC(40:6) A [M+H]+ 9082539 8787360 8734975 16965621 17741273 15081447 13386106 12127413 11494621 12858828 14757902 12390063 6074683 8824962 10041505 9136034 10965691 PC(40:6) B [M+H]+ 2165912 2874363 2726082 4401644 3093825 2942219 4295340 3167486 3190440 3681473 4580416 4521841 3360012 1911754 2144543 1683614 1722840 PC(40:7) A [M+H]+ 2426660 2015173 2135673 2790262 3724427 3209412 2856239 1689880 1843510 1419387 1637088 1360523 1480797 2355336 2726497 3347573 2897008 PC(40:7) B [M+H]+ 6464914 7774563 7081483 17409836 25382153 20401394 18910180 15455358 13641076 13272724 19003640 17899362 17409348 3809362 4697988 5161052 5032483 PC(40:8) [M+H]+ 1335278 1483284 1452603 6269777 5261047 6288399 6586300 1143526 1019048 780698.6 1702865 1526003 1286904 2396655 3147792 1529427 2898710 PC(42:10) [M+H]+ 233216 220017.7 220581.4 668298 464312.9 769713.7 723934.1 184150.9 171816 200912.7 182311.2 153071.8 164127.5 242643.7 236117.4 255039.2 253374.2 PC(o-32:0) [M+H]+ 90595370 1.19E+08 1.00E+08 67121054 73124135 63935687 70342276 71921959 91198708 79780054 66297279 69664215 68551869 1.11E+08 1.09E+08 63569201 1.01E+08 PC(o-34:0) [M+H]+ 14953094 13567969 14146201 26577013 11833112 31078032 28134426 14394140 14034598 13095788 15747578 15375954 15130144 18538904 19741037 4386044 20779523 PC(p-32:1)/PC(o-32:2) [M+H]+ 1105949 1421114 915166.6 3125567 5174057 3494019 2353400 1299421 1780537 728871.4 1083196 1349783 1107912 2030645 2410542 1030105 1911303 PC(p-34:1)/PC(o-34:2) [M+H]+ 19766148 22111962 25358476 10498021 9136846 8546326 13534729 17552110 17819081 20495305 12457472 15500723 13826415 24379081 20695528 18539679 18603128 PC(p-34:2)/PC(o-34:3) [M+H]+ 58641405 59604615 48777231 42745837 24347963 45290968 52842414 33079522 32577492 39150486 32479878 28825231 27445794 51488346 47401348 70054000 48268944 PC(p-36:1)/PC(o-36:2) B [M+H]+ 4732341 4966917 4377378 7253820 1238175 8726797 8186930 6416981 5727726 3934223 7072571 6445652 6726330 3215201 4530671 2555323 6516607 PC(p-36:4)/PC(o-36:5) [M+H]+ 1.59E+08 1.89E+08 1.79E+08 2.67E+08 1.98E+08 2.72E+08 2.47E+08 1.28E+08 1.55E+08 1.59E+08 1.43E+08 1.54E+08 1.68E+08 2.93E+08 3.03E+08 2.58E+08 2.91E+08 PC(p-36:5)/PC(o-36:6) [M+H]+ 6230817 6078149 5567804 3613102 898578.7 4125375 5186939 8953633 9191385 10579836 7676359 8904623 8018148 3067127 2845342 3037307 3452914 PC(p-38:3)/PC(o-38:4) A [M+H]+ 14126610 13627504 15225071 21086379 26049461 19586801 19545832 11801962 18356039 14364279 11736571 10619582 13392628 26779878 26906849 14721371 29816122 PC(p-38:3)/PC(o-38:4) B [M+H]+ 17292664 16372095 16246773 33620617 13259597 26561469 28672079 19772048 17377097 16600679 18720684 16944212 18146536 31671226 32347669 4656178 38542724 PC(p-38:4)/PC(o-38:5) A [M+H]+ 55682333 67571587 72249562 86063950 71220573 79167870 89940246 85207649 82289134 68122917 78649024 81903262 74025009 1.14E+08 93163041 68794813 1.02E+08 PC(p-38:4)/PC(o-38:5) B [M+H]+ 20102219 23056266 20704500 41677802 22384732 37183499 42632021 21201146 26721852 25615352 23608181 22920571 23624657 53867354 53756518 27179656 56033467 PC(p-38:5)/PC(o-38:6) A [M+H]+ 1997138 1202817 1295260 1112822 1140927 1804726 1440611 1782816 2266951 2451788 1760899 3005578 1809260 1335595 1678790 1202463 1640831 PC(p-38:5)/PC(o-38:6) B [M+H]+ 71236750 72744848 87706997 96441039 84545089 1.21E+08 1.00E+08 91694305 93823267 1.11E+08 97236360 91251559 93835199 1.52E+08 1.47E+08 57986754 1.66E+08 PC(p-38:6)/PC(o-38:7) [M+H]+ 747422.4 637859.4 758276.5 1334632 866704.2 1445737 1766068 1725517 1403195 1420126 1940861 1456479 1766708 1348879 1242733 1027939 1447123 PC(p-40:3)/PC(o-40:4) [M+H]+ 369423.3 532796.2 363885.1 612664.7 433643.3 435747.1 559277.3 195990.5 463100.8 363435.2 715791 502477 752429.3 574572.3 439384.8 135667.5 480406.8 PC(p-40:4)/PC(o-40:5) [M+H]+ 1800346 1791610 1649733 3963300 4696043 2912175 3581559 1794336 2150714 2279265 2143051 3043079 2160029 1855374 1622304 624152.6 1940515 PC(p-40:5)/PC(o-40:6) [M+H]+ 2707789 2428580 2625458 2845073 4520701 2640379 3178908 3020605 3012894 3102508 3701743 2952220 2934727 3880780 3236215 1867434 3804743 PC(p-40:6)/PC(o-40:7) A [M+H]+ 918394.8 1223711 809152.6 1320793 1288015 1526736 1224626 1176024 1375415 1383884 1230662 1408942 1552245 804833.6 808308.3 508393.4 447397.5 PC(p-40:6)/PC(o-40:7) B [M+H]+ 978.3041 1065.874 929.1079 148992 785.9958 600.2878 607.7893 1153.062 178322.2 1177.759 968.9467 956.7765 933.965 980.7867 882.6851 1479.294 887.3696 PC(p-42:4)/PC(o-42:5) [M+H]+ 177708 220579.4 156063.2 413588.1 274041.4 538000.2 299739.2 140973.3 117303.8 224992 146687.9 217060.1 205993.5 174227 192148.2 145123.2 182115.7 PC(p-42:5)/PC(o-42:6) A [M+H]+ 73312.16 1065.874 929.1079 335067.7 558230 354375.7 234315.5 84002.87 1145.456 89383.65 111998.6 101108.3 72776.42 160398.8 119384.9 122518.1 234429.7 PC(p-42:5)/PC(o-42:6) B [M+H]+ 45602.67 51507.29 102206.5 332970.5 300258.3 324423.8 287697.7 71437.95 71546.3 147274 102350.8 100458.7 107730.1 259033.6 240422.2 85512.07 222751.1 PC(p-44:4)/PC(o-44:5) [M+H]+ 978.3041 1065.874 929.1079 402792.7 278564 404054.3 364270 1153.062 1145.456 1177.759 42639.47 956.7765 933.965 73136.29 44300.2 139269.6 57032.13 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Average Retention times(min) Average Mz Adduct ion name MS/MS included INCHIKEY MS/MS spectrum FA (8:0) (caprylic acid) [M-H]- 0.65 171.1381 [M-H]- TRUE GHVNFZFCNZKVNT-UHFFFAOYSA-N 78.95748:3508 88.98682:4369 95.51334:2012 99.92475:3903 107.43598:1966 113.46474:2164 127.07516:3375 140.98036:2361 144.01936:8380 144.05579:4068 153.09093:2394 159.76045:2422 171.01846:19711 171.0672:28071 171.10341:21801 FA (10:0) (capric acid) [M-H]- 0.73 185.154 [M-H]- TRUE ZDPHROOEEOARMN-UHFFFAOYSA-N 140.89604:7424 158.0354:4250 185.04556:10664 185.08142:2814 185.11601:8577 FA (11:0) (undecylic acid) [M-H]- 0.93 199.1698 [M-H]- TRUE POULHZVOKOAJMA-UHFFFAOYSA-N 92.92663:2554 183.36961:2249 198.89745:2447 199.00632:3884 199.06146:10610 199.16974:391470 FA (12:0) (lauric acid) [M-H]- 1.44 227.2013 [M-H]- FALSE TUNFSRHWOTWDNC-UHFFFAOYSA-N FA (14:0) (myristic acid) [M-H]- 0.94 225.1855 [M-H]- FALSE AFGUVBVUFZMJMX-KTKRTIGZSA-N FA (14:1) (physeteric acid) [M-H]- 1.7 241.217 [M-H]- TRUE WQEPLUUGTLDZJY-UHFFFAOYSA-N 76.7791:2086 78.55941:2031 90.1377:1973 93.82516:1845 94.9239:2320 126.28368:2130 132.98105:2672 158.97424:2933 217.61588:8830 240.87025:22486 FA (15:0) (pentadecylic acid) [M-H]- 2.23 255.2328 [M-H]- FALSE IPCSVZSSVZVIGE-UHFFFAOYSA-N FA (16:0) (palmitic acid) [M-H]- 1.47 253.2172 [M-H]- TRUE SECPZKHBENQXJG-FPLPWBNLSA-N 75.04137:2369 117.77515:2140 135.6154:1925 212.72974:26244 221.26611:1907 225.87811:1929 FA (16:1) (palmitoleic acid) [M-H]- 2.72 269.2487 [M-H]- TRUE KEMQGTRYUADPNZ-UHFFFAOYSA-N 94.92398:2436 182.6286:1995 219.39774:3312 219.41777:2978 269.21414:24945 269.24857:464004 FA (17:0) (margaric acid) [M-H]- 3.11 283.2641 [M-H]- FALSE QIQXTHQIDYTFRH-UHFFFAOYSA-N FA (18:0) (stearic acid) [M-H]- 2.44 281.2485 [M-H]- TRUE ZQPPMHVWECSIRJ-KTKRTIGZSA-N 79.17179:4203 85.76159:3986 85.76752:4413 92.82739:4789 92.92648:17618 116.97128:9758 198.89151:7453 220.75909:5514 220.77908:4401 241.46364:5267 281.24841:3996719 FA (18:1) (oleic acid) [M-H]- 1.84 279.2329 [M-H]- TRUE JBYXPOFIGCOSSB-XBLVEGMJSA-N 83.59561:17719 103.22674:16973 116.73737:19390 154.75215:17541 194.27742:16045 213.61111:19898 220.1678:29854 261.22293:69824 FA (18:2) (linoleic acid) [M-H]- 1.42 277.2173 [M-H]- TRUE DTOSIQBPPRVQHS-PDBXOOCHSA-N 98.08198:2030 127.0004:2764 159.19881:2129 194.95514:2890 200.97827:2158 219.31058:4794 277.21722:335686 FA (18:3) (linolenic acid) [M-H]- 3.21 309.28 [M-H]- TRUE BITHHVVYSMSWAG-KTKRTIGZSA-N 72.90802:4990 90.03563:4921 99.3218:5303 213.77481:47603 268.86966:6321 FA (20:1) (eicosenoic acid) [M-H]- 2.76 307.2643 [M-H]- TRUE XSXIVVZCUAHUJO-HZJYTTRNSA-N 83.2456:2317 118.96854:4286 177.12285:2707 209.9897:2293 217.69666:4535 224.9337:4713 289.25305:11563 FA (20:2) (eicosadienoic acid) [M-H]- 2.26 305.2492 [M-H]- TRUE AHANXAKGNAKFSK-PDBXOOCHSA-N 73.46486:17537 83.04927:55855 151.55415:16468 160.9024:17452 220.16052:28070 233.22705:76622 261.25891:349156 287.23697:119080 303.23068:28819 FA (20:3) (eicosatrienoic acid) A [M-H]- 2.12 305.2487 [M-H]- TRUE HOBAELRKJCKHQD-QNEBEIHSSA-N 83.04902:3040 116.97157:17564 129.37979:2687 136.53806:2787 137.32738:2236 137.88365:2196 141.01561:21606 143.71939:2402 182.75003:2726 215.6573:10799 222.93642:15894 261.25977:10273 287.23877:10892 303.23309:3853 305.24869:1728567 FA (20:3) (homo-gamma-linolenic acid) B [M-H]- 1.72 303.2329 [M-H]- TRUE YZXBAPSDXZZRGB-DOFZRALJSA-N 83.04913:15981 95.75986:10836 109.49229:13101 119.29005:12670 163.07567:13546 177.09161:17226 203.01657:12547 205.19621:113164 219.37468:20483 231.21127:26427 259.21338:23862 259.24301:482193 285.22141:25416 290.37476:11966 301.21613:12516 FA (20:4) (arachidonic acid) [M-H]- 1.32 301.2173 [M-H]- TRUE JAZBEHYOTPTENJ-JLNKQSITSA-N 79.42224:1925 90.7508:1867 97.04295:2258 183.08072:3553 186.2838:2080 203.1805:3892 219.30296:4362 257.22781:31551 286.13611:23511 301.15988:103752 301.21732:109620 FA (20:5) (eicosapentaenoic acid) [M-H]- 3.34 335.2956 [M-H]- TRUE HVGRZDASOHMCSK-AVQMFFATSA-N 72.42857:1984 91.86887:2496 95.11356:2163 101.89207:2320 107.55917:2113 112.98024:2342 150.65971:2086 201.72156:2325 220.74191:2795 265.04938:16327 335.05264:4863 FA 19:0; [M-H]- 1.53 327.233 [M-H]- TRUE MBMBGCFOFBJSGT-KUBAVDMBSA-N 71.01287:2295 109.06472:2491 117.06982:3140 121.10114:3160 126.13157:2671 127.18678:2557 135.11696:4023 149.13237:2808 161.13306:3337 163.149:2435 175.1478:3549 177.16481:8586 191.18077:2713 195.58366:2501 202.0022:2315 213.47702:2146 220.62727:4009 220.64862:3083 229.19542:32803 247.94913:2470 249.04057:2514 249.18553:5041 283.24316:153145 309.22253:2809 327.23282:239309 FA 20:0; [M-H]- 0.53 143.1066 [M-H]- FALSE WWZKQHOCKIZLMA-UHFFFAOYSA-N FA (22:2) (docosadienoic acid) [M-H]- 3.4 297.2798 [M-H]- TRUE ISYWECDDZWTKFF-UHFFFAOYSA-N 90.9399:2164 92.92649:9840 157.29025:2300 157.95239:2594 163.44064:2686 192.36894:2690 215.09724:2675 217.93584:6463 246.8232:2351 264.73126:2224 265.95557:2079 297.1543:11077 297.24677:31632 297.27972:810002 FA (22:6) (docosahexaenoic acid) [M-H]- 3.67 311.2956 [M-H]- TRUE VKOBVWXKNCXXDE-UHFFFAOYSA-N 79.23309:5491 80.05679:4732 95.4523:6000 166.00804:4917 311.17123:97231 311.29562:3105925 FA 22:0; [M-H]- 4.28 339.3268 [M-H]- TRUE UKMSUNONTOPOIO-UHFFFAOYSA-N 77.08368:2688 97.49593:2625 109.50176:2787 147.18384:2714 163.11188:13692 217.9221:7312 339.19781:38868 339.32672:1730752 FA 22:1; [M-H]- 3.72 337.3113 [M-H]- TRUE KJDZDTDNIULJBE-VAWYXSNFSA-N 100.66706:2650 103.54726:2539 109.36932:2872 138.36621:2335 167.34604:2382 171.60423:2544 213.60382:15854 213.6286:6238 255.23206:2886 273.10129:2752 337.31125:1860792 FA 22:3; [M-H]- 3.02 333.28 [M-H]- TRUE WBBQTNCISCKUMU-IUQGRGSQSA-N 72.07791:11355 80.93951:10647 207.42627:11832 218.83154:11468 220.65915:17873 237.62039:12418 289.28983:60178 315.2692:45536 322.92191:12259 333.28003:6507729 LPE (16:0) [M-H]- 1.35 452.2784 [M-H]- TRUE CKPBBEOJHAPPBT-HXUWFJFHSA-N 78.95793:9509 81.84579:2318 109.88786:2159 194.50632:2257 196.03773:28988 214.04726:5273 215.86847:2416 220.72035:5686 255.23306:347672 262.10907:2249 277.73236:2346 315.64569:2493 414.19144:5399 452.27802:86381 LPE (18:2) [M-H]- 1.06 476.2788 [M-H]- TRUE DBHKHNGBVGWQJE-USWSLJGRSA-N 74.00092:2140 78.95775:12252 139.02773:2295 140.01048:10357 174.98538:2329 196.03801:28315 214.04948:4781 220.70992:3963 245.45955:2834 279.23306:323651 307.16272:2292 324.2739:2706 476.15948:3461 LPE (20:4) [M-H]- 1.03 500.2788 [M-H]- TRUE JPNPIRVRGLGTRE-YSKCIPFOSA-N 78.95777:13409 81.49361:2300 131.6505:2625 140.01131:3217 194.56906:2625 196.03734:28725 214.04768:3627 220.69987:4103 259.24472:9653 294.94312:3436 303.23325:135968 LPE (22:6) [M-H]- 1.05 524.2785 [M-H]- FALSE XEVRBOQZSXWGQO-PAUXXPOVSA-N LysoPE 18:0; [M-H]- 2.09 480.3098 [M-H]- TRUE BBYWOYAFBUOUFP-UHFFFAOYNA-N 78.95786:25468 92.94535:2274 140.01062:20238 152.99484:4711 178.60083:2612 195.2005:2802 196.03748:85588 198.54245:2816 214.04836:15556 220.37616:4376 220.39703:2851 283.26428:791846 306.79224:2416 421.80756:2836 480.30972:217689 LysoPE 22:4; [M-H]- 1.42 528.3093 [M-H]- TRUE RSVFMXVZJZRSQQ-LTKCOYKYNA-N 78.9577:4806 116.26897:2529 140.01146:3729 140.71521:2828 141.43283:2796 159.10281:2433 196.03735:3456 197.73286:2597 202.11862:2664 214.04817:11707 219.14539:3486 219.16682:4191 331.2645:262306 PE (34:2) [M-H]- 5.39 714.5092 [M-H]- TRUE HBZNVZIRJWODIB-NHCUFCNUSA-N 77.86757:3044 78.95774:28018 83.48244:2830 96.96826:3806 99.39766:2990 122.00044:3525 140.01054:42014 141.80879:2860 196.0376:33714 212.87491:3197 233.18993:4392 251.20158:893350 253.21811:15827 255.23361:12064 279.23331:13812 281.24887:23693 283.26443:388168 304.22824:3954 362.67725:3600 376.6955:3360 462.29889:4553 480.30768:45996 667.68744:3281 708.27637:3260 714.50824:190634 PE (36:3) [M-H]- 5.41 740.5248 [M-H]- TRUE DOILLFCKSSPXMF-ZKZIFNJMSA-N 76.12947:5914 78.9577:131558 83.04916:8770 96.96832:5716 121.99993:24356 140.01071:186252 196.03743:121378 210.75439:7059 214.04832:10098 215.60429:39236 233.22746:12831 233.94696:5754 251.201:55463 252.964:5992 255.23286:1776605 261.25839:65493 277.21765:187250 279.23279:46100 281.24783:100214 283.26364:88305 287.23907:30288 303.23227:14152 305.24863:3743292 309.27924:13812 434.26788:38245 452.27863:216998 484.28549:11440 502.29272:11801 740.52472:892036 PE (p-38:3) or PE (o-38:4) [M-H]- 6.17 752.5609 [M-H]- TRUE YHSWSUHZIXJBHZ-OWTAGOBYSA-N 71.43439:5089 78.95776:202415 81.11137:5263 83.04877:9977 92.88091:4840 121.99969:10052 136.99986:8379 138.51653:4808 140.01068:156248 153.20384:4528 163.01576:18409 166.02669:6071 179.03445:23893 180.70802:5238 196.0374:157840 205.11975:5016 217.88765:10613 217.90849:5003 222.90126:4542 239.2377:83772 246.72237:5923 261.2601:10779 267.26953:10461 289.29218:40728 305.24872:728097 307.26401:6727 315.26904:26104 316.13342:5264 325.31708:5102 331.26447:21206 333.28:5556095 340.83707:6500 375.2305:21611 418.27298:225511 436.28372:565076 446.30396:25891 464.31592:52791 PE (p-40:4) or PE (o-40:5) [M-H]- 6.23 778.5767 [M-H]- TRUE OQKUDRFZPJFLJQ-KMUIXOOCSA-N 73.9433:4723 75.0738:4403 77.91425:4495 78.95776:199929 83.15115:4591 84.69231:4985 103.4031:5452 120.3817:5035 122.00016:8056 140.01091:141753 163.01442:6377 166.02632:6273 179.03314:9128 185.97519:4755 196.03743:124225 265.25381:82231 289.28867:45715 295.12814:5309 305.24911:37232 315.26877:29926 329.24963:5612 331.26376:77621 333.28009:4549887 340.83917:4721 359.29507:72675 401.24594:11087 444.28882:168988 462.29938:408297 628.52014:11038 PE (p-40:5) or PE (o-40:6) [M-H]- 6.12 776.5608 [M+Cl]- TRUE DZPHTQGGRSWHLG-USOCFQKQSA-N 75.14357:3309 78.95786:20359 80.6058:3254 102.0903:3628 114.41122:2978 140.01093:15077 152.42293:3293 188.53928:2993 196.03645:12061 220.13385:5342 231.21118:4597 255.231:3282 267.26807:4527 269.24881:89018 269.27875:5932 285.25894:53092 329.24847:214372 446.30292:23018 464.31506:59235 526.74603:3604 718.53558:4929 722.69891:3556 PE 32:0; PE(16:0/16:0); [M-H]- 5.46 690.5085 [M-H]- TRUE SLKDGVPOSSLUAI-UHFFFAOYNA-N 78.9576:6163 140.01045:18398 163.56395:2855 196.03751:4741 220.65204:4625 227.20157:5709 255.23291:774899 434.26724:4565 452.27869:16689 690.50818:96913 PE 32:1; PE(16:0/16:1); [M-H]- 4.96 688.4931 [M-H]- TRUE CZOSTDZGCCEZTJ-PEZBUJJGNA-N 78.95786:4794 110.3367:3560 140.01083:15253 196.03752:6867 253.21732:404118 255.23293:233399 303.92712:2986 407.66028:3236 440.43658:3588 452.27826:6940 688.49237:106901 PE 32:2; PE(16:0/16:2); [M-H]- 4.74 686.4772 [M-H]- TRUE BFNYJGXHPOMYMB-UDJAPEQQNA-N 76.74379:3275 78.95782:42779 87.56592:3293 122.00059:4959 140.01094:68603 179.69609:3052 196.03677:45488 220.15259:4998 233.19119:11933 251.20163:1204330 253.21698:22634 255.23296:747403 281.2478:5445 430.2399:5222 430.5545:3271 434.26886:13782 448.24698:12303 452.27695:65226 686.47742:215224 PE 34:1; PE(16:0/18:1); [M-H]- 5.53 716.5245 [M-H]- TRUE FHQVHHIBKUMWTI-ZCXUNETKNA-N 78.95776:216459 96.96838:14655 121.99952:38368 140.01076:363718 152.99495:15530 196.03745:256462 212.66766:128558 214.04907:16343 253.2177:103072 255.23291:5282834 281.24854:10223261 283.26425:17618 434.26837:78235 439.52042:10859 452.20709:12460 452.27841:345045 460.28427:59803 478.29507:96866 716.52448:2523730 PE 34:2; PE(16:0/18:2); [M-H]- 5.06 714.5089 [M-H]- TRUE HBZNVZIRJWODIB-BCTRXSSUNA-N 73.33124:3202 78.95771:47853 95.18153:3168 121.99957:5810 136.97839:3597 140.01071:75288 140.02199:5990 148.2872:3582 196.03751:59765 199.69739:3172 214.04689:3810 243.37828:3778 253.21735:130765 255.233:735273 279.23297:1714994 281.2482:65440 316.27496:3929 434.26492:5112 452.27826:59110 458.26956:6341 476.27841:5072 579.30975:4531 714.50879:407459 PE 34:3; PE(16:0/18:3); [M-H]- 4.74 712.4932 [M-H]- TRUE QONZHKTZKTUIMU-SVNQLWEDNA-N 75.42077:3299 78.95782:50489 102.89228:3091 122.00014:6486 140.01083:87491 196.03752:71047 214.047:5377 219.33965:6377 227.20163:19940 233.22748:20159 240.37003:2982 251.2012:63799 253.21745:112026 255.233:782835 259.20721:7263 274.42395:3600 275.20282:5629 277.21735:1737090 279.23312:109196 281.24896:51835 283.2626:4171 305.2486:7630 434.26974:15091 450.27274:3645 452.2782:105008 456.25092:7597 474.26392:7895 476.27582:4167 PE 36:2; PE(18:1/18:1); [M-H]- 5.61 742.5406 [M-H]- TRUE MWRBNPKJOOWZPW-CLFAGFIQNA-N 77.96283:14679 78.9577:243736 96.96842:24193 100.98058:13207 121.99992:26924 140.0107:405191 196.0376:271724 220.05772:16491 220.07724:20017 253.21793:58809 255.23251:73901 275.57794:15933 279.23312:193164 279.94763:20854 281.24857:17753684 282.5564:14532 283.2644:85723 307.26508:143697 315.42819:14969 460.28424:235774 478.29449:589889 742.54047:3421103 PE 36:3; PE(18:1/18:2); [M-H]- 5.12 740.5249 [M-H]- TRUE GKAFCSRKMWFPSJ-RQOIEFAZNA-N 78.95778:132950 120.72814:4532 122.00013:21919 140.01073:175285 152.99472:11316 196.03737:124254 214.04678:5788 261.22372:8814 279.23294:4828152 280.52173:6428 281.24854:2548607 283.26434:58724 374.52438:5174 458.26971:34336 460.28317:36804 476.27795:52665 478.29385:172311 740.5249:1297761 PE 36:4; PE(16:0/20:4); [M-H]- 4.95 738.5092 [M-H]- TRUE NQIMLWFRWGTTOZ-JAXHXWBXNA-N 78.95255:11377 78.95778:305851 79.96162:7918 83.04901:17380 88.9458:7802 92.59306:9108 96.9684:16354 121.99963:44991 140.01079:498440 140.02324:17342 145.33861:9281 160.68127:10031 196.03737:355819 205.19583:120147 214.04773:19687 214.25282:68532 231.21103:16737 248.72162:8958 255.23293:4275772 259.24319:484224 285.22302:47599 301.21634:16238 303.233:6801176 331.35062:10012 434.26721:100871 452.27863:518902 482.26968:40700 500.27612:36498 569.84479:10675 738.50928:1606409 PE 36:5; PE(16:0/20:5); [M-H]- 4.58 736.4937 [M-H]- TRUE KHLRCNXJXSYNCK-LPHKCNJWNA-N 77.30802:3002 78.95792:5121 103.38744:2755 103.39584:2881 116.96459:3088 127.21117:3308 140.01053:17625 147.2791:3579 159.64458:2991 163.75052:2938 196.0372:6631 203.18059:5378 218.21274:3360 220.65057:4142 230.03659:3069 253.21507:3008 255.23296:176175 257.22742:36961 301.21722:195943 336.13638:3382 452.2778:14910 491.23636:3097 498.26404:3456 736.49237:74742 PE 38:1; PE(18:0/20:1); [M-H]- 6.76 772.5874 [M-H]- TRUE DBYSGBYABPVNGO-ZPHPHTNENA-N 78.95783:49426 96.9687:4909 115.9194:4399 140.01062:53228 156.9209:3334 196.03792:44728 236.81374:3595 255.23341:36272 268.69659:3612 281.24869:162073 283.2645:583677 309.28012:1721574 311.29614:93404 337.31204:21012 425.95981:3941 462.29584:14473 480.31195:64122 488.31158:5290 506.32352:7669 594.38611:6178 772.58746:372733 PE 38:2; PE(18:0/20:2); [M-H]- 6.38 770.5714 [M-H]- TRUE WYDGEVICLIVPEG-OHNCOSGTNA-N 78.95776:21158 104.6545:3456 140.01074:31865 157.0321:3388 165.24652:3425 196.03773:29351 227.18883:3323 253.21703:18674 279.23392:6690 281.24933:34983 283.26443:297897 307.26447:807901 309.28192:25497 311.29678:4041 337.31256:6115 462.29422:4152 480.30875:27565 PE 38:2; PE(18:1/20:1); [M-H]- 6.21 770.5715 [M-H]- TRUE UITCASPZWUAJBW-HWSICPKZNA-N 77.49869:3226 78.95776:46771 107.2956:4362 108.58695:4301 112.69994:3511 122.00053:5917 126.57854:3214 140.0108:73461 196.03706:41682 246.89499:3704 255.23315:5486 281.24857:1389101 283.26358:29828 307.26428:67719 309.28:1128102 335.29639:7725 360.25217:3992 460.28015:6621 478.29297:30881 488.31647:7539 506.3244:41342 770.57117:398815 PE 38:3; PE(18:0/20:3) A; [M-H]- 5.85 768.5558 [M-H]- TRUE MSYFXMJDQLPRGO-JTBMWNAQNA-N 78.95773:81361 96.96842:7470 122.00036:9761 140.01068:131703 196.03728:82021 199.84273:4403 214.04837:7499 217.87891:10200 255.23293:91819 261.26001:16155 281.24808:82592 283.26437:1240736 287.23709:7757 305.24872:3156811 307.26337:59394 332.86789:4482 333.27988:199198 452.28036:6482 462.30161:29677 480.30951:154053 484.28537:9625 502.29568:21264 700.53284:7926 PE 38:3; PE(18:0/20:3) B; [M-H]- 6.04 768.556 [M-H]- TRUE MSYFXMJDQLPRGO-JTBMWNAQNA-N 78.95264:16525 78.95774:478826 83.04865:64077 96.9679:49040 97.06458:9679 122.00001:103001 124.65989:9956 140.01071:674858 152.9949:38340 196.03732:495748 205.19611:10219 214.04869:23820 216.52585:10496 220.08426:13361 233.22644:47081 261.25925:252560 272.59048:12188 283.26422:6713078 287.23737:115139 303.23328:54844 305.24854:14042963 413.06363:10362 422.02118:10895 442.42148:11101 462.29892:155867 480.30988:856090 484.28348:52883 502.29471:54686 768.55591:2878167 PE 38:4; PE(18:0/20:4); [M-H]- 5.58 766.5402 [M-H]- TRUE YEHAZLUVAZKVRO-ZKVKLVECNA-N 71.01235:59233 78.95264:67721 78.95774:2026068 79.28662:49940 83.04909:75502 96.96832:195707 106.31258:47899 121.99978:351495 140.01067:2742834 152.99435:87010 177.09129:112230 196.03746:2044330 205.19548:750942 214.04764:101742 220.57672:105495 231.21199:108686 259.24319:3015274 283.26422:26238576 285.22263:313228 303.23288:43853780 305.24915:60974 462.29965:509060 480.3096:3240247 482.26816:315910 500.28119:228697 PE 38:4; PE(18:1/20:3); [M-H]- 5.42 766.5402 [M-H]- TRUE FHPKJOCRZAXOEW-ZYKQNZMBNA-N 76.11027:6977 78.95771:170702 79.60538:7608 83.0489:12138 85.32541:6782 96.96815:14572 107.56718:8373 121.99985:25089 136.39359:5474 140.01074:250193 180.02443:6439 196.03728:185657 214.04796:11481 233.22707:11781 235.41045:6012 255.23222:33709 261.25873:106883 267.87073:7608 281.2486:2558218 287.23837:50274 303.23422:33441 305.24863:5667288 323.49167:7299 331.26376:69266 460.28415:55674 478.29422:327063 484.28308:23525 485.96008:6432 502.29401:26186 708.18591:8748 766.54022:1030522 PE 38:5; PE(18:0/20:5); [M-H]- 5.18 764.5248 [M-H]- TRUE MOJMRZJNAPRFBD-GLWDABGQNA-N 78.53738:3548 78.95788:32809 80.71385:3164 96.968:3404 111.17384:3577 112.63055:3011 122.00005:4691 140.01083:52802 196.0379:41853 203.17955:13784 255.2339:37741 257.22757:84985 259.24356:6437 269.35748:4187 281.24872:89777 283.26434:413003 285.25958:4007 301.21741:568928 303.23318:151121 305.24969:6490 329.24866:47440 462.30084:7212 478.29581:7796 480.25055:3592 480.31149:58190 628.51892:5302 718.57629:4183 764.52441:276420 PE 38:5; PE(18:1/20:4); [M-H]- 5.03 764.5245 [M-H]- TRUE ZYMZKMQPPJPQHY-HAGCXRLMNA-N 78.95277:13174 78.9577:254506 91.65908:11568 104.0926:13289 105.31865:14216 117.66409:11702 121.99979:46809 140.01064:404161 152.99431:13112 196.03748:273777 205.1963:86723 214.04895:18873 217.5034:53334 255.23233:21621 259.24341:422053 259.27405:17873 281.2486:3641816 285.22211:13500 295.85583:15191 303.23297:6586422 326.32574:13440 329.24603:22580 350.48395:12967 370.60056:13116 426.27759:13405 460.28015:111987 478.29425:532682 482.26837:51583 500.28268:27822 764.52478:1767424 PE 38:6; PE(16:0/22:6); [M-H]- 4.77 762.5072 [M-H]- TRUE MPWUZHVZZKSTPV-LGFBOSHVNA-N 78.95773:52779 102.09315:3443 121.99938:3582 140.01053:44289 152.99461:22582 168.04222:17155 174.98727:2967 177.16331:5658 196.03703:30672 229.19606:16907 255.23297:412086 256.23676:4040 281.24872:21060 282.25348:12532 283.2424:140228 284.26761:3396 303.23157:5424 327.23297:308968 329.24695:5286 421.76266:3452 434.26773:12610 452.27939:62686 675.48596:18957 688.54761:35940 703.42474:3570 PE 40:2; PE(18:0/22:2); [M-H]- 6.91 798.6034 [M-H]- TRUE JQVOEQRCENYJCX-OHNCOSGTNA-N 78.95765:5432 140.01091:16463 196.03793:6850 217.68311:13330 253.21716:81719 281.24832:76073 283.26431:94568 335.2959:300210 337.31097:29019 365.3436:22827 457.44223:3305 480.30951:7928 798.60254:79885 PE 40:2; PE(18:1/22:1); [M-H]- 6.8 798.6031 [M-H]- TRUE HIGXQDJTUMSNNI-YQSYOFKPNA-N 78.95771:23775 128.61526:2892 140.01073:28674 159.54317:3165 196.03667:18671 255.2316:7127 281.2486:668041 309.28021:68506 337.31128:286136 347.12625:3420 347.40506:3222 428.18695:3248 534.35602:15481 666.29828:3580 708.17529:4216 798.60291:122988 PE 40:3; PE(18:0/22:3); [M-H]- 6.51 796.5874 [M-H]- TRUE FWFYKTALQSTAHK-WDTHWMLCNA-N 76.68559:5243 78.95768:115134 83.04867:5311 91.51022:6258 96.96798:6199 121.99971:26367 139.99931:9044 140.01077:157529 152.99391:6013 157.73552:6320 196.03763:131302 201.187:5357 214.04799:7721 220.09927:10314 281.24844:90561 283.2644:1457186 289.29028:26485 315.26874:26803 333.28015:3462124 452.38861:6281 462.29938:31652 480.3103:150117 512.31824:21145 516.27234:5758 530.32867:11458 656.09509:5731 728.5603:23571 796.58722:745510 PE 40:4; PE(18:0/22:4); [M-H]- 6.03 794.5717 [M-H]- TRUE TVACGFJBGVEGCR-PYQGTGCGNA-N 78.95773:359874 83.04858:19318 96.96783:23740 101.87292:17022 121.99998:34349 133.07707:15759 139.99921:29468 140.01079:702496 180.65442:16150 196.03732:444425 208.61095:14544 214.04773:25670 220.11133:34146 233.22781:69900 273.61636:18334 281.24921:101615 283.26425:7395214 287.27426:402235 313.25375:72748 329.24887:20749 331.26428:16836642 333.28064:147067 347.43259:15524 440.66833:15729 462.29858:224258 480.30966:1204042 510.30023:120737 528.30914:88142 794.57172:5659808 PE 40:4; PE(18:1/22:3); [M-H]- 5.94 794.553 [M-H]- TRUE LWKPYYPYMPUCAT-DUJLOBTBNA-N 76.40848:3534 78.95779:68953 96.9682:3885 121.99938:6601 138.94536:3814 140.01073:86109 142.2164:3221 168.04239:3684 193.9547:3977 196.03763:56460 281.24866:930369 283.26233:11935 289.28979:8486 305.2489:16260 307.26434:5092 315.27087:8504 331.26273:35344 333.28009:1861672 460.19122:3777 460.28363:18813 478.29404:92792 512.3194:5362 530.32709:13605 549.84558:3727 726.54749:15624 744.6076:20962 794.57111:511316 PE 40:5; PE(18:0/22:5) A; [M-H]- 5.61 792.5558 [M-H]- TRUE KYERVKWKQQBRQB-NIZIMQIGNA-N 71.01259:4475 76.44073:3395 78.95778:93609 89.18607:3274 96.96851:5207 122.00005:15833 130.98131:3750 140.01079:124172 151.12981:3519 152.99484:4401 196.03766:83651 205.19449:6327 214.04787:5995 231.21231:17145 255.23332:53916 259.24268:35514 281.24896:5165 283.26443:792494 285.25858:71910 303.23303:476606 305.2493:46094 307.26529:18483 309.28021:304086 311.2377:7051 329.24875:1149855 331.26462:19723 333.28021:4100 462.3002:13425 480.30951:80580 482.2699:4863 488.31757:7115 506.32382:34953 508.27829:4163 526.29773:6471 792.55585:497289 PE 40:5; PE(18:0/22:5) B; [M-H]- 5.81 792.5568 [M-H]- TRUE KYERVKWKQQBRQB-NIZIMQIGNA-N 75.28705:3266 78.95322:5190 78.95775:84352 92.84524:4065 96.96788:7840 103.76486:3731 122.00007:16949 136.0417:3665 140.0107:142029 150.39365:4157 152.99385:4488 173.44466:3748 191.18057:5925 196.03741:94248 205.19557:4126 214.04829:4533 231.21129:78821 232.24312:4150 251.20177:3869 255.23157:27553 283.26428:1308180 285.259:361948 299.2392:14557 311.23709:5711 329.24866:1689717 331.26761:13196 462.30197:34555 480.31:187699 508.28241:8876 526.29498:8407 775.74646:3829 PE 40:5; PE(18:1/22:4); [M-H]- 5.46 792.5552 [M-H]- TRUE FYSNFSXQLYXNMN-DCMOKHIZNA-N 78.95775:619104 83.04868:22831 91.88173:12939 96.96797:31573 103.6982:14360 121.99991:84312 124.29889:14923 127.12157:14708 140.01077:747884 149.883:13253 152.99408:51090 168.0421:79236 177.09117:16722 196.03746:518790 205.1221:19407 214.04857:29322 233.22696:58633 235.82152:13137 255.23289:387734 279.23328:28448 281.2486:7198332 287.27432:329001 313.25345:77788 329.24805:31524 331.26431:13123152 333.27853:98559 381.49982:15427 392.11743:14173 460.28018:169758 478.29449:726975 510.30069:72182 528.30994:32138 718.59406:117257 PE 40:6; PE(18:0/22:6); [M-H]- 5.41 790.5404 [M-H]- TRUE XYYHNDVKALDFHQ-HSBBONCLNA-N 71.01378:3880 78.95329:8626 78.95874:142619 84.48659:3807 96.96898:9793 107.0863:7147 117.07062:4380 119.08622:5176 121.10213:15472 122.00118:18526 133.10165:6364 135.1181:8296 140.01076:172140 147.11803:5251 149.13332:8139 152.99507:46332 154.00012:4735 155.0007:5026 162.05605:3722 163.07748:9426 163.15019:6139 175.15021:7626 177.14969:3892 177.16597:23422 179.14435:4126 191.18134:16730 196.03746:118301 201.70926:3987 203.18187:5650 209.15407:4662 214.04933:6367 229.19638:91709 229.21974:4581 236.68764:4072 246.94034:3996 249.18773:22628 255.21422:4472 281.25125:27684 282.25189:9503 283.2684:1486040 284.26865:40039 285.27148:17919 297.22375:15215 305.21173:6763 305.2478:48275 309.22498:7709 327.23297:1760836 329.25018:27861 418.25134:4723 419.2551:17433 420.26456:16634 421.26532:9301 462.30035:49717 480.31012:289012 506.26932:21096 524.2793:15804 703.52039:68003 716.58148:26157 PE 42:1; PE(24:0/18:1); [M-H]- 8.05 828.6501 [M-H]- TRUE HZQGLAQCNUAUPN-BWAHOGKJNA-N 78.95784:6641 95.30843:3100 106.40585:3705 120.19709:3286 140.01097:17464 196.03656:3417 281.24863:403829 367.35779:143659 449.84888:3538 452.35992:3739 579.64447:3556 580.45532:3390 828.64807:58617 PE 42:2; PE(18:1/24:1); [M-H]- 7.41 826.6345 [M-H]- TRUE ISJLLEYVLZBZHK-BJSHFZDTNA-N 78.95792:15596 136.15919:3527 140.01089:15458 165.42094:3660 194.76665:3342 196.03654:4787 202.36461:3875 220.6949:5278 240.26373:3913 281.24869:392395 295.67996:3373 309.27902:5110 314.48227:3567 363.32907:4438 365.34219:145881 391.35742:3674 478.29007:4744 562.38947:12929 PE 42:5; PE(22:1/20:4); [M-H]- 6.22 820.5878 [M-H]- TRUE ZMGLCPZNKRMLRI-ZTZRWYCRNA-N 78.95771:27557 90.81773:3070 140.01065:21116 196.03725:17410 201.53857:3998 231.20773:4325 255.2325:7906 259.24203:14338 283.2641:81879 303.23297:141475 305.24826:26045 313.2894:4692 318.0741:3727 333.28156:23672 337.31155:105645 357.27997:107395 480.30914:4556 534.35785:4462 627.51636:5442 628.52795:22744 746.55695:3646 752.55341:12481 760.62109:7469 820.586:65745 LPC (20:0) [M+H]+ 2.96 552.4022 [M+H]+ FALSE UATOAILWGVYRQS-HHHXNRCGSA-N LPC (20:2) [M+H]+ 1.68 548.3712 [M+H]+ TRUE YYQVCMMXPIJVHY-ZOIJLGJPSA-N 71.07293:3012 82.54938:2625 86.09639:42309 104.10696:202129 117.19739:3028 124.99971:9480 152.10541:2738 184.07335:213294 220.22667:4706 241.39302:2435 245.44713:2568 338.82239:2661 433.20624:2487 489.23822:10064 530.35956:17469 548.28473:4801 LPC (22:4) [M+H]+ 1.53 572.3707 [M+H]+ FALSE ZOJBSSVHFSBHMP-JJJSWPRASA-N LPC (22:6) [M+H]+ 1.05 568.34 [M+H]+ TRUE LSOWKZULVQWMLY-APPDJCNMSA-N 71.07284:4056 86.09082:4243 86.09644:106597 104.107:408975 106.96061:2822 108.22189:3097 124.99989:44246 184.07335:528646 190.49425:2606 217.71521:5052 258.11124:4015 284.32056:2932 285.07928:2715 414.10278:2821 550.33118:34997 568.33972:150580 LPC (o-16:0) [M+H]+ 1.57 482.3613 [M+H]+ TRUE VLBPIWYTPAXCFJ-DEOSSOPVSA-N 72.01176:2385 76.46581:2541 80.94713:2420 86.09626:33184 102.44057:2737 104.10697:305736 124.9372:11184 124.99964:17636 144.94391:2661 157.09776:2430 167.85799:2580 167.97971:52726 184.07339:46262 219.04997:6081 346.02631:2767 413.08676:2780 421.20901:107909 482.26086:83030 482.3588:138879 LPC (p-16:0) or LPC (o-16:1) [M+H]+ 1.54 480.3447 [M+H]+ TRUE HTZINLFNXLXRBC-CQLBIITFSA-N 71.07284:14473 78.85155:2762 83.0852:6285 85.87151:2396 86.09639:162976 95.0854:5740 97.10132:5218 98.98444:3127 104.10697:371284 108.00267:2856 122.27874:2414 124.99985:101207 155.01132:5147 161.9146:2350 181.02589:82744 183.32057:2761 184.0733:152987 217.93628:4544 240.0993:72718 240.1246:4420 308.29547:12530 339.28931:93250 357.1416:2854 462.30127:3322 LPC (p-18:0) or LPC (o-18:1) [M+H]+ 1.75 508.376 [M+H]+ TRUE No record 80.94791:3658 86.09623:22719 104.10702:230978 124.93707:4025 125.00008:9674 140.60516:2606 167.97977:33865 184.07341:36282 219.05461:4717 328.62909:2601 447.22415:75808 508.27756:51320 508.37524:108970 LPC(14:0) [M+H]+ 0.89 468.3081 [M+H]+ TRUE VXUOFDJKYGDUJI-OAQYLSRUSA-N 72.40746:2534 81.06993:3242 86.09647:34199 96.42247:2464 104.10699:216874 124.99958:16889 125.37202:2405 184.07324:272622 200.44215:2690 219.05074:5538 258.10928:3024 285.24167:3156 450.2963:26310 468.23355:4004 LPC(15:0) [M+H]+ 1.09 482.3241 [M+H]+ TRUE RJZVWDTYEWCUAR-JOCHJYFZSA-N 86.09647:53111 104.10703:294915 106.89772:2651 124.99969:19191 134.84515:2375 159.55107:2438 184.07335:391897 217.71532:9320 256.08679:2995 258.1109:3534 299.2576:14651 327.76816:2564 367.13403:3004 422.54358:2929 464.31342:31697 482.32385:124813 LPC(16:0) [M+H]+ 1.36 496.3395 [M+H]+ TRUE ASWBNKHCZGQVJV-HSZRJFAPSA-N 71.07295:4698 71.08563:4046 75.75078:3876 86.09644:194164 104.10697:1004811 124.99992:70117 148.83466:3579 184.07327:1265770 218.10722:11946 258.11084:18558 258.39526:3429 313.27277:40013 419.2547:7288 478.32983:138782 488.44446:3882 496.3392:655124 LPC(16:1) [M+H]+ 1 494.3239 [M+H]+ TRUE LFUDDCMNKWEORN-ZXEGGCGDSA-N 80.73183:2367 86.0965:68288 104.10699:353567 124.99963:20598 146.3779:2357 184.07333:444756 219.03795:3798 258.10922:3352 311.25787:12545 476.31247:47404 LPC(18:1) [M+H]+ 1.5 522.3553 [M+H]+ TRUE YAMUFBLWGFFICM-PTGWMXDISA-N 71.07304:5207 74.37286:3030 77.41062:2933 83.08574:3212 84.19114:2534 85.99997:2573 86.09642:112039 104.10698:606770 105.94943:3115 124.99992:28777 135.17085:3347 184.07327:741628 214.78001:10138 258.11102:6222 339.28821:21406 343.96124:3646 366.99228:2648 504.34421:75432 522.35492:350849 LPC(18:2) [M+H]+ 1.12 520.3393 [M+H]+ TRUE SPJFYYJXNPEZDW-FTJOPAKQSA-N 71.07323:52957 81.06977:70367 86.0964:1276518 95.08521:31992 97.69583:17886 98.98463:17908 104.10695:6557768 109.10063:21434 124.99988:465623 146.24283:16362 163.01573:22413 172.43419:17783 184.07323:8227044 220.09409:19250 225.34932:17615 243.04839:17583 258.10916:113562 337.27142:146567 443.25494:37276 486.16779:19388 502.32883:783975 518.57513:18862 520.33929:3865620 LPC(18:3) [M+H]+ 0.9 518.3236 [M+H]+ FALSE WKQNRCYKYCKESD-YVHLTTHBSA-N LPC(20:3) [M+H]+ 1.3 546.3554 [M+H]+ TRUE BBNHCUBQEQJHIG-FZZJNMCHSA-N 71.07279:3722 81.06992:3513 81.15946:2586 84.21469:2969 86.09073:5514 86.09642:116328 93.07024:3575 104.10696:579248 105.72919:2787 124.99985:46805 148.43172:2812 163.01575:3193 184.07327:730202 184.45607:2909 216.66292:11316 258.11005:6390 469.27084:3186 528.34497:58341 546.35529:281851 LPC(20:4) [M+H]+ 1.02 544.3396 [M+H]+ TRUE GOMVPVRDBLLHQC-VEJNOCSESA-N 77.38202:2513 80.37927:2516 86.09638:54692 104.10693:13003 124.99964:26342 184.07336:790255 219.03838:5308 246.27399:2692 526.32928:11631 LPC(20:5) [M+H]+ 0.87 542.3237 [M+H]+ FALSE PDIGSOAOQOXRDU-WJPZTBRDSA-N LPC(22:5) [M+H]+ 1.19 570.3542 [M+H]+ FALSE PDIGSOAOQOXRDU-WJPZTBRDSA-N LysoPC 18:0; [M+H]+ 2.08 524.371 [M+H]+ TRUE IHNKQIMGVNPMTC-UHFFFAOYNA-N 71.07314:80206 86.09643:2115852 93.64952:41045 104.10696:11226810 104.31584:40759 108.7457:42493 124.99989:843548 163.01553:63766 184.07324:14748708 218.43678:55641 218.45689:51875 258.11029:264035 304.33682:40832 317.10699:40997 341.30444:346810 447.28458:64985 506.35934:1550738 524.37061:6387846 PC (16:0/9:0(CHO)) [M+H]+ 2.21 650.4387 [M+H]+ TRUE PPTNNIINSOQWCE-WJOKGBTCSA-N 78.5966:2709 86.09648:29381 104.10646:3314 124.99953:11486 165.9277:2760 184.0733:416936 219.01947:4611 243.79428:2657 PC (32:3) [M+H]+ 4.71 728.52 [M+H]+ TRUE UXEFXNOSLOCOLX-ZCHSEWAGSA-N 71.07304:53379 71.08556:96851 81.06985:63081 83.08561:46033 83.45126:4182 85.10122:68626 86.09642:517508 93.33219:3885 95.08552:116838 97.10127:36440 99.11633:4320 104.06879:3645 105.89085:4764 109.10101:55633 111.11669:16738 117.43159:3416 123.11698:35205 124.99992:4893 137.13268:15942 146.98169:1497610 147.89432:3577 164.99193:32321 184.07254:5133 211.20543:38389 222.01823:4783 239.23701:30716 239.94179:3215 304.21622:8105 413.20682:23425 441.23611:47251 450.29715:5323 500.31293:5895 523.47223:394043 545.45374:570499 625.66858:4480 669.44617:732864 728.51929:1168846 PC (37:3) [M+H]+ 5.29 798.6007 [M+H]+ FALSE OOYQEEUUQRMQKL-JUUDQZDJSA-N PC (39:6) [M+H]+ 4.97 820.586 [M+H]+ FALSE QMCWOGICYCFNBF-BWHZRABLSA-N PC (42:5) [M+H]+ 5.91 864.6473 [M+H]+ TRUE APYSSUSAYQRESE-VZWUYPTESA-N 71.07294:57153 77.44258:4964 86.09641:739068 98.9842:34278 104.10698:76791 110.49065:5137 124.99983:390200 133.07013:4747 184.07323:8330906 207.99826:6683 304.21872:7424 407.43259:5684 630.41681:6117 785.94684:5475 864.64722:632201 PC (42:6) [M+H]+ 5.63 862.6317 [M+H]+ FALSE DSVRMAGYENFTLY-GDDYDVMSSA-N PC (p-32:0) or PC (o-32:1) [M+H]+ 5.6 718.5742 [M+H]+ TRUE KEVGQWGZKKFGDC-MCBGMKGZSA-N 71.07304:323508 71.08561:369864 81.0699:536745 83.0855:482993 85.10118:363644 86.0964:6160999 93.06997:55633 95.08546:841480 97.10114:406848 98.98422:338595 104.10682:599024 109.10094:390393 111.11687:181503 112.95137:50947 119.78563:47417 121.10107:253397 123.11671:217754 124.99976:2982518 135.11693:195074 137.13254:60365 137.80508:43985 149.13246:86238 163.0154:93115 181.07106:57338 184.07321:78831440 185.29213:54061 187.1512:47618 239.23634:214387 247.2428:68729 265.25266:193827 308.29504:200396 312.02032:46929 313.27472:56212 339.29251:62791 419.25546:83080 478.32645:647495 480.34464:286116 577.51837:8502194 718.57355:6278726 PC (p-36:3) or PC (o-36:4) [M+H]+ 5.18 768.59_790.5721 [M+H]+_[M+Na]+ TRUE_TRUE PYVYDRMXPDZRIS-FINMKEMFSA-N 71.0731:75791 71.08542:11426 83.34224:9120 86.09641:1315600 98.9844:53448 104.10697:179183 107.5032:9346 124.99979:665475 133.40103:10591 156.27216:9043 184.07323:16418269 191.23044:8981 218.48346:10540 279.0838:11290 364.75217:10179 482.35239:26785 768.58929:1202185_71.07328:39161 71.08556:222309 75.04426:6755 79.05419:15111 81.06999:21631 83.08579:4680 83.73259:3550 85.09518:4517 85.10117:196546 86.0964:483074 91.05423:16186 93.06977:15552 95.08557:20726 97.10142:5407 99.11661:20567 105.06985:7315 107.08539:6042 109.10111:5501 113.13223:8585 119.08574:14875 120.96562:4707 123.11621:5719 131.08473:5292 133.10056:7847 146.98163:598351 147.11684:4713 162.53325:3199 164.99214:14834 173.13194:3716 184.07327:25714 203.17987:5144 218.96629:6522 401.24393:6995 585.52332:107316 604.52716:4551 605.54407:32471 607.50513:490021 731.49799:1321175 790.57123:968551 PC (p-38:2) or PC (o-38:3) [M+H]+ 6.1 798.6365 [M+H]+ TRUE VXNFJZDUQIFCMO-WCXGAVHKSA-N 71.07307:153469 71.08543:37706 79.0546:11332 81.06976:17363 83.08527:9927 85.10114:16773 86.09637:2230330 91.05401:17760 93.07001:16681 95.08555:16954 97.10102:17772 97.35554:9051 98.98412:100693 104.10691:360401 109.10027:11705 124.99973:1123893 146.98116:41554 181.06352:19549 183.3902:23462 184.07314:27785488 184.76115:23828 185.07607:73192 186.07622:17553 187.15965:17116 220.02589:12270 245.35919:17461 246.91106:10442 463.51956:12286 482.36136:43955 630.41937:35405 656.5694:45489 657.57196:431421 739.52307:13706 757.59741:21947 PC (p-40:1) or PC (o-40:2) [M+H]+ 6.52 828.6917 [M+H]+ FALSE IAVIYOOCANBIJO-DZWPKMMWSA-N PC (p-40:7) or PC (o-40:8) [M+H]+ 4.99 816.5909 [M+H]+ FALSE PWAHARWXEAMNGK-VCDFOAEJSA-N PC (p-42:3) or PC (o-42:4) [M+H]+ 7.18 852.6876 [M+H]+ FALSE WSHCLKDGQAEXNQ-MRGADFHSSA-N? PC (p-44:5) or PC (o-44:6) 6.96 876.6836 [M+H]+ FALSE No record PC 30:1; PC(14:0/16:1); [M+H]+ 4.31 704.5227 [M+H]+ TRUE XGGMHQYOVYWRLV-VLGSPTGONA-N 71.07297:230326 81.07023:17106 82.59124:20259 86.09641:4051224 98.98423:173141 104.10706:385201 117.98074:20517 124.99982:1939296 161.70012:19444 179.82614:17370 184.07323:46745432 185.07608:21298 217.44566:23242 217.46643:39852 271.7406:19437 450.29846:23757 468.31:81109 476.31329:25455 521.46332:23916 630.4137:28396 704.52222:2591734 PC 30:2; PC(15:1/15:1); [M+H]+ 4.05 702.5071 [M+H]+ TRUE BQTXNAKXHQSYOW-RYOQUFEFNA-N 71.07306:7891 86.09639:193936 98.98434:5598 104.10686:21902 124.99968:103188 153.24164:3260 184.07324:2410075 214.03751:16360 264.26938:14300 265.27148:14347 266.27576:4248 303.42767:3999 372.98557:3497 702.50659:151256 PC 32:0; PC(16:0/16:0) A; [M+H]+ 5.44 734.5693 [M+H]+ TRUE KILNVBDSWZSGLL-UHFFFAOYNA-N 71.07288:113398 71.71866:18527 86.09637:2168374 98.98453:116494 104.10686:265811 107.14393:22058 124.99982:1126330 181.0645:25930 184.07321:28592466 184.75493:17682 185.07585:23970 266.70099:22881 373.75705:20863 405.54077:20096 421.47491:22115 440.16437:22030 478.32864:45050 496.34012:84414 734.56873:2072227 PC 32:0; PC(16:0/16:0) B; [M+H]+ 5.56 734.5692 [M+H]+ TRUE KILNVBDSWZSGLL-UHFFFAOYNA-N 71.07291:37808 86.09639:653537 93.17989:3544 98.98414:25274 104.10691:74774 124.99978:322995 134.22618:4185 169.66872:4582 181.05446:4666 184.0732:7931678 185.07635:48172 187.16792:4229 218.98314:8192 296.38971:4256 430.3476:5222 478.3262:13228 485.4938:4758 496.34052:19661 551.50397:4113 630.4115:4879 734.56891:470890 PC 32:1; PC(16:0/16:1); [M+H]+ 5 732.5536 [M+H]+ TRUE QIBZFHLFHCIUOT-ZPHPHTNENA-N 70.74331:10507 71.07287:71411 86.09643:1599474 98.98443:69485 104.10689:144086 124.99983:792723 181.06239:15457 184.07327:21244174 185.07593:11514 187.15945:18529 202.79187:12201 289.43768:12663 323.91769:13362 398.07712:11404 476.31009:12660 496.34109:20345 556.37396:11718 PC 32:2; PC(16:0/16:2); [M+H]+ 4.62 730.5377 [M+H]+ TRUE PGWJECFIJFGQBZ-OHNCOSGTNA-N 71.07307:406218 86.09641:7388708 98.98435:444819 104.10714:709701 123.37674:51998 124.99978:3586562 181.05928:67003 183.38191:78323 184.07321:102633584 184.75256:60724 187.16151:91138 217.40428:74647 253.50468:53115 474.2995:79185 478.3295:91079 492.30966:72800 496.34036:124990 630.41083:78569 730.53778:8882869 PC 32:3; PC(16:0/16:3); [M+H]+ 4.27 728.5225 [M+H]+ TRUE DRJYDRMOXGTDIW-XDZFUVEGNA-N 70.47175:7478 71.07298:79903 86.09636:1295441 98.98431:42574 102.20319:8028 104.10692:120320 124.99976:650146 146.98158:35026 181.06268:13134 183.3833:14007 184.07315:16507987 184.75175:9173 184.76793:14326 187.15977:15076 287.92218:7658 304.18314:10146 449.07092:7691 472.28568:14034 494.31641:9502 496.34039:10849 545.45691:11640 669.43359:15457 728.52124:1350944 PC 32:3; PC(16:1/16:2); [M+H]+ 4.2 728.5225 [M+H]+ TRUE MRPWOJNRGDXMPO-DAWNVERKNA-N 71.07306:44009 75.60373:3547 79.32224:3649 86.09641:652338 98.98418:26359 104.10695:71027 124.99979:319427 128.20218:3895 142.61009:4455 148.5923:4091 181.05751:4200 183.37997:5035 184.07323:7471619 184.75436:4493 218.97566:6536 333.40234:3440 444.88235:3877 476.31909:5340 492.31067:6263 494.32339:17161 630.41193:8462 728.52173:482784 PC 34:2; PC(17:1/17:1); [M+H]+ 5.04 758.5694 [M+H]+ TRUE RXPVDHQFHIMZPN-AUYXYSRINA-N 71.07289:767189 86.0964:11572173 98.14809:82519 98.98414:559887 102.31874:81501 104.10698:1208373 120.3118:88247 124.99977:5688324 173.85751:72922 181.06087:107294 183.39207:86913 184.07323:164671584 187.16254:135963 220.05301:118041 496.33841:141616 630.41724:144299 655.30267:99777 758.56879:12457839 PC 35:1; PC(17:0/18:1); [M+H]+ 5.6 774.6005 [M+H]+ TRUE SXNXGNVZTLZDHE-XDOYNYLZNA-N 71.07298:58672 81.06985:7765 86.0964:843659 95.08534:4507 98.9842:39171 104.10696:92520 113.00471:3701 124.9998:394346 181.05756:5486 183.38963:6761 184.07321:11172357 184.76109:7793 187.16483:9381 218.93716:6465 492.34637:9815 504.34497:4959 510.3562:9450 522.35406:17016 630.41284:18987 774.59979:914631 PC 36:0; PC(18:0/18:0); [M+H]+ 6.59 790.6316 [M+H]+ TRUE NRJAVPSFFCBXDT-UHFFFAOYNA-N 71.07307:78409 71.08543:5595 72.07635:5209 79.11755:4859 81.06979:10312 83.08567:8030 85.10116:6840 86.09639:1146982 87.09961:91719 88.10254:5851 95.08564:6343 96.88999:4909 97.1011:7767 98.98418:58910 104.10695:122950 105.11031:10509 109.10168:8059 124.99979:585864 126.00352:22253 127.00369:38800 181.05815:7582 184.07323:11914464 184.75418:10220 184.77132:6708 185.07655:1048037 186.07755:771155 187.08095:82665 187.16435:8581 217.92075:17375 246.08444:7244 341.30389:5439 506.3569:4864 605.55029:97072 630.41345:22530 747.53625:5272 760.73676:10504 772.66827:8097 790.63177:709363 PC 36:3; PC(16:0/20:3); [M+H]+ 5.27 784.5847 [M+H]+ TRUE FHYXYDNOQOCPNC-XSMZTDTHNA-N 71.07291:977047 74.66991:58910 82.60784:89699 86.09636:18327560 95.08585:66942 96.07169:62498 98.98415:938323 104.1069:1815269 104.11427:100372 124.99975:8853617 181.05659:149515 183.37718:139576 183.39667:329300 184.0731:220446016 184.75429:375046 187.16541:125453 245.48132:106708 247.54494:94550 313.27316:129024 390.50125:64141 478.32892:125006 496.34183:322804 528.34381:142514 546.36261:72201 630.41699:253545 653.34174:79816 758.10931:306709 784.5838:16997440 PC 38:3; PC(18:0/20:3); [M+H]+ 5.9 812.6163 [M+H]+ TRUE LLUINWFQEIMZRU-JOIBFBEQNA-N 71.07296:430283 86.09641:7364835 98.98435:334801 104.10694:727206 124.9998:3809117 181.05586:52461 183.38188:47940 184.07321:83079976 184.75209:32340 184.76881:32936 187.16653:44596 304.20731:43447 506.3598:33848 524.37103:114739 528.34717:46883 733.8606:35369 762.87897:45736 812.61566:6308354 PC 38:3; PC(18:1/20:2); [M+H]+ 5.6 812.616 [M+H]+ TRUE MGYXVNKVMWUCEN-RMSDNIJUNA-N 71.07303:684183 74.00845:41229 81.06995:54835 82.62197:62540 86.09643:10665144 95.08531:50222 98.984:489823 104.10701:1007071 124.99986:5558112 143.01237:49008 181.05879:91988 184.07326:121172360 185.07619:406710 186.07698:77156 187.16655:73873 207.99915:48774 304.21179:94956 320.51315:50293 500.68378:49839 504.34464:52415 525.94714:54789 548.3681:84253 758.49298:69007 812.61609:9166040 PC 38:5; PC(16:1/22:4); [M+H]+ 4.76 808.5844 [M+H]+ TRUE QLLMXQUJUQTVJG-LFSCOEDNNA-N 71.07298:105772 74.85941:5022 86.09638:1521063 98.98386:80468 104.10696:140032 124.99975:806135 133.0442:6380 143.00797:5446 181.05969:18854 183.38916:7449 184.07315:15247159 184.76126:20974 185.07675:33292 187.16194:19536 304.22726:7847 372.17215:5171 476.31439:7019 494.32062:24343 554.36212:5533 630.4126:21071 757.54889:21608 808.58423:1013821 PC 40:3; PC(18:0/22:3); [M+H]+ 6.37 840.6477 [M+H]+ TRUE ISCOBNWTWBSGJN-GBDFTIALNA-N 71.07301:342980 72.65038:20105 86.0964:4768591 98.98417:248314 104.10696:490046 124.99976:2605450 181.05156:28276 181.06636:28282 184.0732:57630948 187.15515:35803 187.17004:27695 212.66774:278968 271.18753:24770 330.10831:24461 332.37277:24092 506.35657:28072 524.3728:118396 556.37451:39183 840.64716:4734320 PC 40:3; PC(18:1/22:2); [M+H]+ 6.21 840.6475_862.6297 [M+H]+_[M+Na]+ TRUE_FALSE DUAKPLFDAPDPHQ-AVYKBPSGNA-N_No record 71.07297:71772 79.59162:5830 81.06953:5277 86.09639:1005128 98.98415:60737 100.19579:5349 104.10693:96656 104.18469:5798 124.99979:545722 167.65331:6571 181.06392:7013 183.38892:9300 184.07318:11184521 184.76082:8657 207.99852:7640 220.0367:10002 373.71237:6101 504.34549:8245 522.35608:6362 576.40515:8357 610.99915:6586 630.41675:6044 732.57153:6057 757.89734:11170 840.64667:807624_ PC 40:4; PC(18:1/22:3); [M+H]+ 5.79 838.6319 [M+H]+ TRUE WWRNQERLPIGJFJ-AAPDRTCUNA-N 71.0731:115874 78.87669:8299 86.0964:1563924 98.98405:72607 104.10698:145572 124.99979:833018 182.74013:9906 184.0732:17288858 184.75949:9397 185.42278:15219 187.1412:10714 412.79089:8267 504.34683:11500 522.3576:15765 556.37323:11157 574.38483:8886 619.94525:8353 630.41309:15574 838.63135:1110508 PC 40:5; PC(18:1/22:4); [M+H]+ 5.33 836.6159 [M+H]+ TRUE BEBUALLVGGPZCK-OZKYNIIMNA-N 71.07291:432064 86.09637:6134831 98.98409:369530 104.10685:573926 107.24361:25346 112.12769:21218 121.10217:27620 124.99973:3215851 181.05396:51033 183.39078:45558 184.07314:63611728 184.7596:39160 187.16855:52464 215.55879:87412 277.82898:28669 504.34842:33349 522.35645:93035 554.35815:32509 572.37042:29297 737.54724:27000 761.42719:38473 836.61542:4292232 PC 42:5; PC(22:1/20:4); [M+H]+ 6.08 864.6476 [M+H]+ TRUE WEJRANQJEZOPOW-FNDBXICPNA-N 71.07302:65230 86.0964:902208 98.98423:60597 104.10686:89744 124.99979:494115 143.82465:6122 181.62143:4177 183.38701:8063 184.07321:9342403 184.76378:7298 187.15756:6133 207.99893:8802 218.4478:18189 556.57178:5047 560.40228:5366 578.41357:5414 630.40942:8996 675.89679:5199 864.64728:685216 PC 42:7; PC(22:3/20:4); [M+H]+ 5.21 860.6161 [M+H]+ TRUE YQVGASZTROXHGR-XBINOJCANA-N 71.07296:72427 79.42379:5114 79.56232:4130 86.09636:1090457 98.98405:62744 104.10687:115653 110.1932:4584 124.99975:572737 181.0551:10693 183.38255:8533 184.07314:12143874 184.75162:5389 184.76797:8891 187.16718:6755 207.99869:19548 218.98537:7005 224.08594:4641 526.32745:6020 556.37891:5733 574.39087:10686 630.41412:9008 758.3158:7227 838.26208:4991 860.61584:885796 PC 44:8; PC(22:4/22:4); [M+H]+ 5.23 886.6307 [M+H]+ TRUE OWKJOILEORWVEV-QIURYZFVNA-N 71.07294:62998 74.71368:5362 86.09639:793478 95.08541:3961 98.98408:42368 104.10705:64343 112.65257:4899 124.99979:401855 140.05789:4081 144.37857:4078 155.6088:4666 181.05936:5137 184.07321:8156156 184.7587:5311 190.34306:4815 194.47408:4654 218.93726:6279 230.46532:5027 377.9465:5291 554.35901:7225 572.36823:9847 580.94458:4736 630.41406:8291 764.31824:5148 886.63098:515076 PC(28:0) [M+H]+ 4.17 678.5069 [M+H]+ TRUE CITGlcJVPOWHKC-UUWRZZSWSA-N 71.07291:18534 82.71999:3258 86.09638:287873 94.11404:3235 98.98423:6978 104.10675:24581 124.99979:128249 165.93291:3418 184.07321:3727481 201.00685:3531 205.35426:2978 208.27678:4280 217.90738:4450 217.92802:7811 245.1855:3591 450.29932:3829 468.3136:5161 534.41711:3921 678.50616:257369 PC(30:0) [M+H]+ 4.72 706.5381 [M+H]+ TRUE RFVFQQWKPSOBED-PSXMRANNSA-N 71.07306:1256050 71.0769:128998 76.25871:113099 86.0964:19516348 89.80161:101144 98.9842:1075177 104.10699:1962198 106.40675:101711 108.99254:114049 124.99979:10410780 181.05363:167805 183.39708:164542 184.07321:243211168 184.75484:177080 184.77083:119138 304.19376:101432 450.29749:184860 468.31012:252647 478.32834:184229 496.34372:160448 630.41351:150510 706.5379:17115582 PC(31:0) [M+H]+ 5.01 720.5537 [M+H]+ TRUE NPGWXTIWUUFYAB-DIPNUNPCSA-N 71.07298:198526 71.08559:27184 75.5817:28807 86.09638:3326115 98.98417:181006 104.1067:349157 124.99986:1667036 125.0088:32044 184.07323:41171684 478.32608:34461 496.33835:55350 537.48859:42629 633.21588:30361 720.55334:2827991 PC(31:1) [M+H]+ 4.58 718.5381 [M+H]+ TRUE QFVHCMLUKNHDSH-WTWBAFHPSA-N 71.07283:18960 86.09644:422839 98.9843:8115 104.10693:46004 124.98934:7065 124.99986:216966 127.59768:3696 181.06096:4098 183.39198:4448 184.07332:5135676 184.75887:7041 200.26178:3792 213.38614:23194 213.41104:10555 268.83899:3642 325.90323:3770 464.30917:3775 550.57654:3790 630.41681:7183 PC(32:0) [M+H]+ 5.32 734.5697 [M+H]+ TRUE KILNVBDSWZSGLL-KXQOOQHDSA-N 71.07303:7187 86.09644:180884 98.98428:6312 104.10683:18261 124.99985:92100 164.65399:3603 172.0849:3544 184.07329:2339766 219.24911:6395 304.19458:3419 328.29105:4268 333.33679:3798 379.36707:3698 PC(32:1) [M+H]+ 4.8 732.5538 [M+H]+ TRUE QIBZFHLFHCIUOT-NPBIGWJUSA-N 71.07303:3940158 74.07005:388824 76.76472:391862 86.09638:58934524 98.98442:2535764 104.10696:6759574 117.79328:496841 124.99978:33867648 125.59237:390818 147.91861:409398 184.0732:709588992 215.45482:440897 452.45486:462538 494.32294:519364 496.34003:526914 549.4917:547394 732.55359:48220356 PC(32:2) [M+H]+ 4.36 730.5381 [M+H]+ TRUE GPWHCUUIQMGELX-VHQDNGOZSA-N 70.4064:7424 71.07298:62281 86.09641:985099 98.98414:48500 104.10693:105053 104.39206:7830 124.99981:535464 145.048:7845 184.07326:12047825 187.15942:8956 211.1599:8488 215.33742:36601 532.15857:8211 730.53802:755977 PC(33:0) [M+H]+ 5.64 748.5869 [M+H]+ TRUE FHENRYRLCPXONH-LDLOPFEMSA-N 71.07306:84888 83.0853:10896 86.09644:1086638 95.08535:13493 98.98431:53200 104.10695:105210 118.89093:8335 124.98933:11863 124.99986:519212 184.07329:14912218 185.0762:83073 186.0771:89119 187.08144:18254 510.35455:14723 605.54114:41779 606.54559:14255 607.54822:126934 634.13715:9926 748.58478:1217832 PC(33:1) [M+H]+ 5.09 746.5694 [M+H]+ TRUE OFRWLQSOUIZELQ-VEAYGOGPSA-N? 71.07291:98590 71.30679:9466 75.59583:9162 80.91748:11035 80.97464:12553 81.0696:17324 83.08558:12191 86.09642:1532000 88.03981:17587 89.29266:10793 95.08559:15300 98.98417:84501 104.10698:135570 107.81509:11421 111.37021:10025 124.99985:806805 135.11734:11210 159.46985:11554 181.05652:13481 184.07326:17140740 185.22263:9555 194.69339:13396 202.90538:13162 217.91:17480 264.2692:15864 300.4624:11604 310.27362:64080 326.72559:10287 339.28943:280214 437.36945:10572 473.32217:12129 746.56921:1214920 PC(33:2) [M+H]+ 4.64 744.5538 [M+H]+ TRUE SBNDHGBVMZMSNL-UESLNCBNSA-N 71.07291:19081 71.80427:3076 76.00754:3255 86.09644:257784 98.98409:7974 104.10692:31002 114.20339:3277 119.7048:3862 120.12267:3167 124.99989:144160 184.0733:3025763 218.95891:12924 534.30939:3828 534.40332:3461 561.50372:15005 685.49231:20491 PC(34:0) [M+H]+ 5.95 762.6006 [M+H]+ TRUE PZNPLUBHRSSFHT-RRHRGVEJSA-N 71.07294:1049407 71.40468:117599 86.09637:19033838 87.50814:107756 98.98424:1036224 104.10695:1917990 111.6104:95462 124.99972:10247244 130.7312:84334 151.63762:126414 181.06873:123877 183.37932:174040 183.39667:190155 184.07315:231644256 184.75356:157908 184.76991:142620 185.0764:190143 186.07814:132269 326.48532:101175 400.43967:110150 478.32785:202007 499.62521:99751 524.37195:395741 630.41638:137042 762.59973:16848254 PC(34:1) [M+H]+ 5.395 760.5852_782.5669 [M+H]+_[M+Na]+ TRUE_TRUE WTJKGGKOPKCXLL-VYOBOKEXSA-N 71.07302:41970 86.0964:578097 95.45612:4077 95.70364:3467 98.98428:27810 104.10689:53761 114.31926:4335 124.99982:282687 135.98105:4562 183.38686:4985 184.07323:7307904 187.1703:4537 187.37941:3849 214.75084:21802 286.99731:4130 478.32977:7397 496.33777:17523 504.34253:4884 630.41229:7553 760.58441:613752_71.07304:34548 71.0855:33195 79.05427:4700 81.06995:40439 83.08567:33287 85.10135:24570 86.09644:290011 87.09982:3928 93.06976:4693 95.0856:54294 97.10115:25085 107.08585:3816 109.10115:29400 111.11668:7533 121.10123:8287 123.11672:6004 125.00008:19238 135.11674:15325 138.20911:3559 146.2859:4076 146.9817:663764 149.1329:4788 164.99281:8674 168.20035:3524 184.07327:420331 184.51065:3740 185.07704:19259 236.97562:4219 239.23627:6440 265.25171:7357 304.21808:6414 310.16837:4041 419.25269:3577 430.07764:3966 441.23907:14034 467.25101:28210 478.32568:3378 504.34543:5905 515.61267:3464 557.2196:3803 577.5188:152423 599.50085:300747 723.49286:369972 741.36548:3735 PC(34:2) [M+H]+ 4.93 758.5694 [M+H]+ TRUE JLPULHDHAOZNQI-ZTIMHPMXSA-N 71.07313:6609270 86.09642:104289848 98.98419:5125730 104.10712:10469258 116.09184:857357 124.99987:50094948 126.35326:715774 184.0733:1178749312 304.20941:3087655 496.34048:1182501 502.32971:1139264 575.50507:1002448 758.5686:85357320 PC(34:3) A [M+H]+ 4.49 756.5535 [M+H]+ TRUE VKVSSDKCKXJFIM-AFYHZPHLSA-N 71.07288:216238 86.0964:3620894 89.98076:21669 98.98407:155645 104.1069:368683 124.99979:1898486 181.05542:24947 184.07321:42238580 184.771:21301 187.16835:36031 218.40022:41140 379.15585:26940 462.27118:21756 494.32394:39791 630.4082:32281 756.55334:3045614 PC(34:3) C [M+H]+ 4.63 756.5532 [M+H]+ TRUE VKVSSDKCKXJFIM-AFYHZPHLSA-N 71.07316:284796 86.09643:4758888 98.97709:41166 98.98428:248946 104.10723:504706 124.99989:2198340 181.05516:53458 183.37958:39192 184.0733:59423012 217.93007:151465 279.43613:48263 340.13297:40119 496.33932:68853 PC(34:4) [M+H]+ 4.28 754.5378 [M+H]+ TRUE YWDDIWXKFJEMKF-JTZVLWBESA-N 71.0729:5020 82.44733:2931 86.09645:77918 88.85775:3031 98.98399:3236 124.99988:42666 127.79601:3116 150.58537:2967 184.07333:881611 219.01682:5332 330.77588:3721 441.14709:3276 478.996:3552 552.50616:3265 754.53387:58017 PC(35:1) [M+H]+ 5.71 774.6002 [M+H]+ TRUE MFHIZGSSDZJFKD-IYEJTHTFSA-N 71.0726:83844 72.69506:13381 79.05399:15072 81.06935:82020 83.08505:28700 86.09643:1281276 93.06936:29485 95.08495:88224 97.06441:28670 97.10076:19573 98.98411:105426 101.93178:12552 104.10725:149890 107.08519:25733 109.10046:59180 118.97989:14352 119.08566:14919 120.95695:15273 120.96607:271792 120.99529:11792 121.10117:25326 124.99984:682814 135.11674:30086 145.99757:52329 164.00836:282410 176.99239:26643 184.07327:17745098 185.07655:30744 186.07729:16345 206.82471:13822 212.80229:133683 279.26935:73420 338.3071:19264 339.28812:274838 350.45804:15581 491.25845:62711 510.36124:17116 630.4151:16734 633.51276:102508 731.4967:417466 742.50299:16420 PC(35:2) A [M+H]+ 5.2 772.5847 [M+H]+ TRUE MJWAVUYQCBFFHQ-WESJWMGVSA-N 71.07304:32483 75.65912:3818 77.59914:4348 81.06963:7346 86.0964:654836 89.39059:4078 95.0849:6723 98.98405:37166 104.10681:72695 124.9998:321597 135.11755:4508 170.0576:5504 181.06184:5693 184.07321:7412984 185.07593:40621 186.07713:41580 187.16068:5821 218.94206:11800 336.2908:7691 339.28925:42910 401.05093:4395 490.32898:6366 628.84552:4456 630.41724:8579 PC(35:3) [M+H]+ 4.76 770.5695 [M+H]+ TRUE AYXGHIQPMDYMJC-AHMBLZLYSA-N 71.073:25499 86.09641:285578 98.98425:8598 104.10696:28572 111.545:3983 124.99978:138171 129.01353:3299 162.95557:5346 184.07323:3185652 218.98721:5437 252.54305:3993 286.49142:4193 363.29239:5913 711.43707:8416 770.57043:211972 PC(35:4) [M+H]+ 4.56 768.5535 [M+H]+ TRUE OROZWUJCDDCYAU-IPUAOQJZSA-N 71.07304:36452 79.05419:8663 81.07013:14826 85.10148:3881 86.09641:584451 88.03929:6200 91.05406:8803 93.06962:17523 95.08542:15909 97.06409:4256 98.98439:26477 104.10713:53942 107.08552:4830 109.10081:4936 119.08535:16865 121.10136:5672 124.99979:287758 129.05482:5687 131.08522:3873 133.8567:3876 183.38301:4109 184.07324:6602402 184.76958:5346 187.14851:3977 187.16649:5132 203.18027:6397 214.5706:3995 264.26859:5327 298.03323:4233 304.19861:8393 310.27368:34533 361.2739:82391 482.32303:15015 571.17944:4353 630.41571:6320 709.47424:4483 768.55304:462891 PC(36:1) [M+H]+ 6.03 788.6165 [M+H]+ TRUE ATHVAWFAEPLPPQ-VRDBWYNSSA-N 71.07301:3558817 86.09645:55417012 98.98451:3269214 104.10727:4991318 104.1139:710735 123.59461:441740 124.98933:601256 124.99988:27060416 184.07332:596069696 185.29314:471439 214.90576:422694 506.35559:571354 524.36859:722908 707.60175:534196 788.61603:43585484 PC(36:2) [M+H]+ 5.48 786.6006 [M+H]+ TRUE SNKAWJBJQDLSFF-NVKMUCNASA-N 71.07304:2094645 82.2863:157138 86.09639:32060780 98.98414:1799935 104.107:3241174 124.99976:16084390 167.13226:157219 184.07318:338739552 185.42259:226258 213.57399:164491 218.02805:328155 222.05714:177630 502.32745:325316 506.36005:215306 524.36688:337289 786.59943:20640302 PC(36:3) A [M+H]+ 5 784.585 [M+H]+ TRUE BXRLDROZWDUSGM-ZRYFCQOPSA-N 71.07313:4623596 86.09643:76907784 98.98412:3614566 101.73887:491922 104.10712:7445411 115.55984:477066 124.9998:34064612 139.73015:592360 172.31703:625249 176.40388:507757 184.07324:754366144 502.32605:633988 504.33276:728984 600.69708:569984 784.58368:35243796 PC(36:3) B [M+H]+ 5.09 784.5849 [M+H]+ TRUE WZCLAXMADUBPSG-RIXBAXMTSA- 71.07299:2068977 86.0964:32708882 89.889:163076 98.98402:1303150 104.10699:2767229 124.99981:16677276 160.66858:200502 166.4297:158010 183.3947:226772 184.07321:306317504 184.75572:196749 187.17268:209550 218.34723:210644 218.36757:233902 239.91736:164014 445.88696:169157 496.3432:323275 667.34003:178372 784.58453:14727327 PC(36:4) A [M+H]+ 4.57 782.5693 [M+H]+ TRUE NKQPOVROGSWLTO-NVPMBMBWSA-N 71.07309:176332 86.0964:2799336 98.98413:141235 104.10706:266876 124.99978:1410763 157.04062:17864 159.1842:18428 181.05983:23858 183.37852:37483 184.07324:32902780 184.75551:22189 184.77049:21857 185.07639:73145 304.19861:27021 520.34174:85358 601.35175:20439 630.41223:26733 758.44531:17983 782.56873:3257219 PC(36:4) B [M+H]+ 4.73 782.5689 [M+H]+ TRUE IIZPXYDJLKNOIY-JXPKJXOSSA-N 71.07299:159441 86.09639:2399884 89.43037:14766 98.98426:88313 104.10703:220165 109.21991:16270 121.46506:13510 123.61839:14949 124.99977:1255695 184.07321:25973128 218.40254:28384 395.03281:14106 500.30908:14230 522.35486:19132 630.41071:19160 PC(36:4) C [M+H]+ 4.84 782.5693 [M+H]+ TRUE IIZPXYDJLKNOIY-JXPKJXOSSA-N 71.07301:14440083 80.97466:866253 81.6104:859361 82.61557:1152124 82.6207:951814 86.09636:218939296 90.63306:869226 96.41618:870839 98.98408:11092511 104.10702:19027270 124.99974:111946832 126.66187:825298 133.56145:886877 181.04918:779962 181.06514:2910772 183.39569:2790897 184.07314:2328157440 184.75479:2696775 187.15854:1435519 218.01314:1313768 239.59924:762025 407.97168:837499 478.32663:1007869 496.33896:4883144 630.41479:1919872 758.46875:3024780 782.56854:171951440 PC(36:5) C [M+H]+ 4.37 780.5536 [M+H]+ TRUE SUZYROYNFNQALJ-MHEIZRSESA-N 70.15544:24134 71.07297:407827 75.25969:21798 76.96622:21718 81.06948:21119 86.0964:6039986 98.98408:247748 104.10693:526876 124.99978:2984993 181.0528:36049 181.06894:26839 183.3822:35712 183.39821:25097 184.07321:66436720 184.76959:37336 187.1543:24788 187.16968:31049 216.75691:101712 311.25912:27486 361.70587:24284 494.32584:155733 526.32941:31656 759.25085:49643 780.55286:4747062 PC(36:5) D [M+H]+ 4.47 780.5537 [M+H]+ TRUE SUZYROYNFNQALJ-MHEIZRSESA-N 71.07284:282302 86.09638:4650227 93.91711:35970 98.98426:243266 104.10691:501359 112.828:34204 124.99976:2411471 129.70665:36041 131.48946:34972 181.07066:29493 184.07318:55108084 187.17062:43334 210.05698:39127 226.52023:34949 244.7784:33292 304.22501:60414 496.3392:140406 524.31433:46914 695.38458:37572 750.77209:32904 780.55255:3987027 PC(36:5)A [M+H]+ 4.21 780.5541 [M+H]+ FALSE SUZYROYNFNQALJ-MHEIZRSESA-N PC(36:6) [M+H]+ 4.14 778.5494 [M+H]+ TRUE SPWBDEZMKCRQSX-NGPPOSSDSA-N 71.07301:34560 74.94788:3401 86.09641:465171 98.98425:22094 104.10706:37622 110.96275:3838 124.99979:234217 148.15073:3842 163.49675:3732 181.06123:5278 182.36726:3462 183.3822:3698 184.07329:4663566 184.7513:5442 184.76817:4869 185.07547:4158 214.2704:25209 367.67358:3841 630.4165:7173 778.53741:287611 PC(37:4) [M+H]+ 5.14 796.5837 [M+H]+ TRUE QRPUCJXFPYFTMB-FBFLODOBSA-N 71.0731:37641 73.959:3766 79.05396:14929 80.77164:3782 81.06957:23230 83.08495:5696 86.09639:483033 87.09954:8987 88.03908:8113 91.05419:13362 93.06958:9885 95.08509:25314 98.98404:28656 99.61277:4109 104.10686:54094 105.06944:10028 107.0851:9928 109.10092:6521 115.41776:4184 117.06915:7089 119.08511:8618 120.96575:30189 123.11646:4095 124.99984:237868 129.05472:6833 131.08519:7520 133.10075:7206 145.10152:5551 145.99864:4714 146.98145:5452 164.00839:34553 177.39632:3883 181.05779:5204 184.07324:5880608 185.07658:104748 186.07751:103617 187.08089:30714 187.16557:5416 203.17987:5174 218.98325:6200 269.22501:4865 292.2995:7994 338.30499:41156 361.27362:125966 435.78116:5283 487.22424:6005 510.3566:6100 630.41205:7026 655.5116:27014 673.52521:4465 753.4787:73466 PC(37:5) [M+H]+ 4.72 794.5675 [M+H]+ FALSE No record PC(38:1) [M+H]+ 6.6 816.647 [M+H]+ TRUE No record 71.07295:44170 86.09641:641899 87.09966:6448 98.98415:32247 104.10696:78824 124.99979:323207 153.32925:4208 170.51425:4667 184.07326:8436218 185.07672:157483 186.07765:87973 187.08131:7047 189.87241:4928 211.84442:5204 223.1586:4456 258.4173:4658 347.15646:4723 524.36804:9590 630.41125:17755 631.56946:4756 663.90576:4302 759.08722:5198 816.6474:692014 PC(38:2) [M+H]+ 6.07 814.6318 [M+H]+ TRUE KXXLFCAPKGRXBT-FMJYHZMHSA-N 71.07287:22302 86.09644:298230 98.9842:8128 104.10701:25286 124.99984:151327 136.27856:3313 142.28683:4027 184.0733:3173160 245.34047:4253 327.79327:3971 374.12308:3701 814.63196:194385 PC(38:3) [M+H]+ 5.72 812.6162 [M+H]+ TRUE KNNHXKQRTYEWCA-HYYWERRFSA-N 71.07304:740316 85.08886:85342 86.09641:10388898 98.98423:649395 104.10721:1020805 124.99976:5332976 156.27281:92826 181.06137:137684 184.07323:152357952 187.15984:124693 217.30386:228840 524.35925:84368 615.96198:90610 668.65735:88197 812.61554:17166022 PC(38:4) A [M+H]+ 5.15 810.6004 [M+H]+ TRUE PSVRFUPOQYJOOZ-QNPWAGBNSA-N 71.07303:703791 71.13835:83701 86.09641:12514333 92.52746:76924 98.98418:531705 104.107:1199195 111.70253:78432 124.99985:5976082 142.04002:85392 143.58121:83893 157.79796:84714 183.38016:103508 183.39548:134612 184.07327:127328488 184.77231:110128 185.07671:127968 187.67725:85704 215.52718:121536 215.54842:301792 240.53683:85388 PC(38:4) B [M+H]+ 5.27 810.6003 [M+NH4]+ TRUE PSVRFUPOQYJOOZ-QNPWAGBNSA-N 71.0729:64825 71.15131:5374 72.61653:5061 77.32511:5063 86.09639:1117751 91.6949:5337 98.98411:48385 99.22716:5606 104.10699:95390 124.99976:548097 138.81812:5246 147.97075:5649 181.05901:7587 184.07318:11739088 187.16351:8196 220.06726:12170 249.06081:5810 478.32715:6451 496.33749:8524 519.23535:7145 630.41461:7632 810.60034:725327 PC(38:4) C [M+H]+ 5.45 810.6002 [M+H]+ TRUE PSVRFUPOQYJOOZ-QNPWAGBNSA-N 71.07306:1850414 78.68559:104243 82.55639:196011 86.09641:31525558 98.9841:1567825 102.63358:113222 104.10708:2858043 124.99981:16721201 127.10572:116064 145.12943:125432 146.98251:167493 181.05556:231340 183.37985:153940 184.07323:306782944 184.77069:134131 187.16776:231046 218.26915:402629 249.5854:137952 341.30389:161981 392.19025:127029 442.80206:124337 506.36185:244019 524.36847:474488 526.32544:229989 654.27917:119971 756.66388:237256 810.59955:20824834 PC(38:5) A [M+H]+ 4.9 808.5848 [M+H]+ TRUE SUACBSWYGWBPFC-GPUJSUHJSA-N 71.07302:5698468 71.41955:438008 81.01016:457093 81.5411:410452 84.21322:436821 86.09641:89275592 98.98421:4194230 104.10706:7241792 109.69453:467432 124.99979:42527092 169.19154:456598 184.07324:752400704 261.55124:504891 305.85205:499324 522.3595:885264 785.62671:525781 PC(38:5) B [M+H]+ 5.05 808.5845 [M+H]+ TRUE YLWBKBDNHWQEFU-YJXJLLHLSA-N 71.07288:91526 86.09637:1218650 87.09972:9690 93.06922:8645 94.39796:7518 98.98414:54486 104.10704:111327 124.99976:621780 140.80669:7356 146.98152:100877 147.98416:8113 183.39311:9324 184.07317:12706682 200.28548:8011 216.75142:10003 216.77113:9377 287.13077:8555 306.83771:8668 496.33823:9269 624.50098:9686 625.50195:77013 630.40924:9769 749.4964:59537 808.5835:956973 PC(38:6) A [M+H]+ 4.485 806.5693_828.5511 [M+H]+_[M+Na]+ TRUE_TRUE PLZBTDKJYHXIEW-DZUXOTHRSA-N 71.07307:315310 74.37426:22089 86.09642:4232603 91.05358:18417 98.98414:179986 103.67126:20059 104.1069:422938 124.99979:2205760 133.87706:20050 181.06367:26780 184.07323:42490324 184.7652:27081 187.15971:39043 192.86647:23483 215.57556:44680 502.32822:26859 505.88449:22056 520.34137:43816 526.32733:31083 630.42047:31968 806.56903:2482156_71.07208:45854 79.05326:33542 81.06886:61269 83.08472:14468 86.09533:376476 86.10178:26291 86.45721:3579 91.05311:43839 93.06875:36336 94.77155:3400 95.08427:61331 97.06386:7075 97.10056:4328 104.72202:3230 105.06978:33445 107.08434:15809 109.09991:26590 117.06895:7380 119.08517:29185 121.09966:20305 123.11544:16977 124.99882:6799 131.0844:7171 133.09964:24003 135.11542:6338 136.70537:3680 137.13106:4183 143.08444:4669 146.98169:709482 147.00124:20104 147.11607:8958 149.13083:4835 161.13185:4554 164.99162:4488 175.14677:4668 184.07346:48068 203.17758:19075 237.96301:4053 337.27295:58121 391.2886:4099 424.55615:4010 465.23648:15767 489.23529:37016 502.32925:4954 623.50391:66022 645.48462:917068 741.44092:7022 769.47729:584325 828.55109:747823 PC(38:6) B [M+H]+ 4.7 806.5691 [M+H]+ TRUE PLZBTDKJYHXIEW-DZUXOTHRSA-N 71.07293:236858 75.09833:13596 86.0964:3315751 98.98417:179722 102.30651:15627 104.10693:295525 112.19554:16192 124.99976:1642426 181.06514:16172 183.38846:33530 184.0732:29708504 184.76224:25154 185.55391:14787 219.25349:19065 219.27339:21976 356.76398:14366 478.3248:22382 496.33813:29116 550.33301:19299 623.49701:26159 806.56848:1729216 PC(38:6) C [M+H]+ 5.01 806.5662 [M+H]+ TRUE PLZBTDKJYHXIEW-DZUXOTHRSA-N 71.07308:111193 71.08556:58285 79.05429:64283 81.0648:8257 81.06992:160150 84.5621:3929 85.06432:4903 85.10114:62712 86.09641:943181 91.05425:35049 93.06988:109071 95.08549:153725 97.10122:50464 99.0808:4350 99.71642:4087 105.06978:23141 107.08556:72856 109.10106:83798 111.08069:4006 111.11679:6625 118.3062:4543 119.08556:18756 121.10117:63903 123.11688:40809 124.99985:7990 131.08577:10460 133.10121:18350 135.11697:35441 137.13246:10782 137.95665:4171 139.22142:4117 145.10164:6745 146.98167:2198564 149.13257:18391 159.11757:5056 161.13271:18706 163.01608:20940 163.14815:29679 164.99269:44793 175.14825:7680 184.07333:68686 215.14264:17638 239.23697:24991 263.23837:7540 265.25159:9617 289.25543:5276 322.98703:4830 329.24673:4942 415.22095:5678 441.23663:23742 465.23776:20442 478.33057:20694 491.25275:80653 528.34326:18567 550.32556:14964 601.51855:401652 623.50055:1432911 624.50525:7072 747.49341:1123691 806.56641:1745402 PC(38:7) [M+H]+ 4.27 804.5533 [M+H]+ TRUE BNNUJTATKJXKJP-XCDHYEIISA-N 71.07295:17851 86.09641:256132 98.98386:11933 104.1069:25083 124.99992:142671 154.66277:3480 167.51215:4505 184.07329:2571145 219.01813:5183 219.04008:3649 239.04128:4037 329.63077:3648 691.31268:4228 798.14191:3856 804.55316:144808 PC(40:4) [M+H]+ 5.89 838.6318 [M+H]+ TRUE FHUAYOMRHXZKHT-JUGJLYODSA-N 71.07304:207524 86.09635:2794870 98.98424:125149 104.10693:244820 111.67142:15095 124.99975:1422940 143.01228:16009 181.06065:24479 183.37949:30843 183.39658:26410 184.07312:33029696 184.75371:29913 184.76987:24310 187.16051:21980 304.21521:31048 524.36859:59999 554.36145:23730 630.41357:31499 685.68457:16586 759.54376:20227 838.63092:2483687 PC(40:5) A [M+H]+ 5.48 836.6158 [M+H]+ TRUE IJTJDJOOHZVSAC-NDRUHXFFSA-N 71.07285:284041 75.97569:22468 78.72603:20962 80.20624:23600 86.09641:4986028 98.98434:250108 104.107:546348 109.61671:27487 117.29073:24854 124.99983:2466072 126.55833:26810 183.38451:23908 184.07324:52290732 184.76494:33016 187.15997:29661 304.21625:46208 344.69662:25392 446.75922:25711 550.38763:30940 612.51984:26500 630.42188:35605 836.61542:4170707 PC(40:5) B [M+H]+ 5.69 836.6157 [M+H]+ TRUE SFESOYFQZQJCOY-FXYWPAEZSA-N 71.07295:58238 75.90942:4162 81.06979:4739 86.09637:881169 98.98406:43596 100.13027:4096 104.10712:75094 122.07674:5126 124.99979:411931 145.05246:4234 146.98146:53959 147.98415:4370 181.06348:7404 183.39371:9246 184.07317:9275380 184.75694:8751 184.77434:5519 187.15897:7192 218.98648:8371 220.62846:4761 281.14014:5545 524.37067:5593 629.06677:4966 630.41949:7491 631.54785:5320 651.53973:5552 652.53979:6749 653.53949:35473 759.34393:5299 777.53003:35166 836.61432:834327 PC(40:6) A [M+H]+ 4.98 834.6003 [M+H]+ TRUE KZSXWBSDQDXESU-PPEVQBTRSA-N 71.06918:5895 71.07306:73265 73.86361:5394 79.88639:6031 86.0964:1175928 88.42637:5616 98.98407:52089 104.10696:116203 124.99981:611528 171.01068:6542 183.39389:12747 184.07321:11180272 184.75716:7220 187.1665:8405 207.99861:29172 217.6723:10107 241.56898:5635 261.36087:5766 398.80429:6152 526.32239:6105 548.375:11987 630.41571:8724 651.53345:7427 655.46118:6979 PC(40:6) B [M+H]+ 5.28 834.6001 [M+H]+ TRUE TYRTWVKQVGNGSZ-RGBTVBCDSA-N 71.07305:129411 86.09643:2024282 98.98407:101660 104.10709:209462 124.99987:1069733 133.86583:15487 146.98158:23846 181.06645:14090 183.39169:15422 184.0733:22614402 184.75865:20381 187.15668:17874 214.17976:72477 550.32587:16014 651.53198:16209 834.60059:1685444 PC(40:7) A [M+H]+ 4.62 832.585 [M+H]+ TRUE BPUROMFCPFGBOT-ZEGPSQTJSA-N 71.07297:13172 86.09646:216337 94.74855:3900 98.9842:14218 104.10679:24443 105.84581:4254 118.96713:3664 124.99991:114913 184.07333:2470860 304.19824:5127 304.22919:4624 500.3819:4141 546.35309:4298 557.36212:3868 560.80084:3981 708.4043:3858 832.58588:153257 PC(40:7) B [M+H]+ 4.76 832.5848 [M+H]+ TRUE BPUROMFCPFGBOT-ZEGPSQTJSA-N 71.07299:99239 72.1311:6387 86.09637:1548711 88.40636:6383 95.15071:7016 98.98421:69844 104.09989:8314 104.10708:136891 124.99977:750801 146.98177:10672 184.07317:14396673 186.18718:6645 218.97179:6743 504.34409:9478 514.47131:6157 630.4187:10035 760.45221:9147 773.52332:10298 832.58472:839465 PC(40:8) [M+H]+ 4.37 830.5693 [M+H]+ TRUE SIMZOWLEIOYZJX-VRCXRDLJSA-N 71.07295:6505 75.16157:3152 86.09641:178366 98.98432:6642 104.1066:15971 124.99979:86715 169.77896:4118 184.07326:1832759 197.28241:4025 218.98805:5522 219.00981:3729 365.11154:4470 376.31387:3725 830.56915:120234 PC(42:10) [M+H]+ 4.26 854.5699 [M+H]+ FALSE No record PC(o-32:0) [M+H]+ 5.69 720.5902 [M+H]+ TRUE SVWBXNAUENUONE-LDLOPFEMSA-N 71.07307:438932 71.08546:74251 85.10112:66567 85.97922:41485 86.09641:7006800 92.13478:37115 98.98409:318191 104.09979:63537 104.107:1137668 124.9998:3490577 181.08516:53245 184.07323:94270480 304.22202:139814 482.36081:184629 630.40936:78085 709.80566:42603 720.58984:5862706 PC(o-34:0) [M+H]+ 6.35 748.6215 [M+H]+ TRUE ZKTXOJMFIAILJG-VQJSHJPSSA-N 71.07314:75603 79.2682:8503 86.09644:1242693 98.98413:71876 104.09995:10224 104.10709:192574 124.99987:620898 184.07333:16659453 304.22116:10538 315.94617:8938 318.91113:9413 471.29013:9898 510.39221:40326 565.55731:11462 607.55365:10641 630.41266:12465 748.62134:1333023 PC(p-32:1)/PC(o-32:2) [M+H]+ 4.75 716.566 [M+H]+ FALSE FZMYLOBGNYZPQO-QLSONYGBSA-N PC(p-34:1)/PC(o-34:2) [M+H]+ 5.28 744.5896 [M+H]+ TRUE MBRHHFWRXQYYAN-JEPFLRBFSA-N 71.07302:31958 85.10062:4644 86.09643:584719 94.27686:3636 98.9843:26675 104.10705:87713 110.64546:3850 124.9998:268074 147.2184:4085 181.06535:4022 184.07326:7140631 184.75757:4162 185.077:6742 219.73:6189 219.78606:4571 223.01192:4505 272.27631:3849 448.55212:4243 482.35791:9507 487.3829:4336 744.59009:461600 PC(p-34:2)/PC(o-34:3) [M+H]+ 5.18 742.5743 [M+H]+ TRUE QEWRXEALGMKRGP-MZWPLUPDSA-N 71.07294:411657 79.05405:111269 80.5148:46218 81.06995:753608 83.08526:347677 86.09641:6906094 91.05428:57306 93.06963:199929 95.08543:543990 97.10095:221421 98.98432:283275 104.10696:693964 107.08572:76527 109.10063:291787 121.10117:193433 123.11657:106670 124.99984:3503586 135.11609:244489 163.01476:86772 181.06256:68765 184.07326:76274680 187.15892:66856 263.2363:85316 306.27921:75391 480.34537:379377 502.32672:573654 601.51862:4987513 648.06842:54897 742.57404:6261930 PC(p-36:1)/PC(o-36:2) B [M+H]+ 6.32 772.621 [M+H]+ TRUE ZYLPVUZBZNMVMR-ZBBHDILGSA-N 71.07298:47623 71.08558:76361 78.4155:6169 79.05405:20057 81.06986:123395 82.7877:5995 83.08561:63064 85.10107:52113 86.09641:729346 89.71538:5819 91.05408:7399 93.06973:22073 95.08547:159776 97.1012:60722 97.35875:5746 98.98418:28773 104.10712:80151 105.06937:6137 107.08527:12259 109.10117:81925 111.11639:13116 113.09562:6737 121.10112:32274 123.11642:39811 124.99976:341311 129.60597:6546 133.10167:6078 135.11707:12674 137.13222:6613 146.98123:9968 147.11699:8692 156.60887:6577 161.13217:5924 163.01413:7218 183.38013:7654 183.39639:9002 184.07321:10035787 184.75467:6219 187.15729:8110 217.7341:22403 267.26804:9684 291.27118:11687 315.09973:6195 334.30927:35453 341.30487:24258 365.30701:11281 504.34348:72115 508.37717:32107 567.56537:9817 630.41113:12651 631.5658:1287990 713.53778:57480 772.62012:892167 PC(p-36:4)/PC(o-36:5) [M+H]+ 5.08 766.5737 [M+H]+ TRUE RWVKPDIHPPTVRQ-HWGQMOSASA-N 71.07301:4545764 71.08536:462026 79.05422:4913175 81.06988:8370284 81.07478:568425 81.65493:297198 83.08542:4802072 85.10103:401003 86.09638:63082964 87.96632:363430 89.71792:378849 91.05421:7274606 93.06969:5956854 95.04866:475724 95.08553:9966495 97.06472:1403891 97.10124:3556191 98.98415:3763604 104.1069:5931618 105.06983:5071000 107.08543:3966904 109.10114:4770243 111.08055:355037 111.11663:1382176 117.06971:1715802 119.08536:5313102 121.10124:5433471 123.11652:1689120 124.99976:32301730 129.07024:491718 131.0853:2564018 133.10117:3548408 135.11684:3750038 137.13213:376588 139.11168:327025 143.08572:423745 145.10094:577007 146.57756:289362 147.11707:1636112 149.13237:2062750 157.10139:559903 159.11627:426440 161.13208:621922 163.14841:573338 171.11699:1232890 175.14709:486347 177.16423:501703 181.02583:1286867 181.06865:369371 184.07317:638316928 184.76064:321463 185.13225:526242 187.15039:608062 187.16988:419393 189.1655:382741 191.17873:328715 201.16371:552536 203.17915:4157663 215.5726:1229853 247.24365:414766 265.25232:2393964 269.2262:1636186 308.29526:1289120 330.27802:3401594 337.27399:299600 339.28915:26578522 361.27335:1421387 393.29855:1201791 447.34741:393489 480.3493:2640023 526.32959:4990406 556.85803:346322 625.51825:80700456 PC(p-36:5)/PC(o-36:6) [M+H]+ 4.71 764.5584 [M+H]+ TRUE No record 71.07297:66678 78.88251:4611 79.05421:64627 81.06988:99545 83.04881:4981 83.08547:34191 85.10101:5643 86.09638:844671 91.05422:67956 93.06976:73138 93.82182:4384 95.04929:7169 95.08553:102351 97.06487:7344 97.10098:23223 98.98421:47542 104.10706:71170 105.0696:41595 107.08559:36167 109.10086:44123 111.0799:6125 111.11672:6164 117.06976:26456 119.08516:44995 121.10139:43300 123.11662:18345 124.99979:444184 129.06943:7716 131.08543:32396 133.10074:36085 135.11655:25292 143.08528:6302 145.10172:20598 147.11682:20112 149.13275:9221 157.09993:4952 159.11632:9503 161.13271:8068 163.14853:6442 175.15057:4776 181.02614:18137 181.06323:7280 183.39296:7413 184.07317:8301022 184.75801:16055 185.07617:6309 186.07704:6163 187.16002:5394 203.18002:15998 209.75233:4560 218.9911:6973 222.55191:4761 245.22495:5381 263.23956:6092 328.26404:5765 330.27841:9496 337.27222:73052 339.28873:97278 361.27356:19472 480.34344:23373 524.31317:49240 623.50281:584854 630.41779:7953 706.53076:5809 758.68317:5794 764.5575:509391 PC(p-38:3)/PC(o-38:4) A [M+H]+ 5.64 796.6204 [M+H]+ TRUE GWBOVQHRCURSPU-QMFAPAEZSA-N 71.07289:106319 71.08527:18971 81.0696:22510 83.08509:15920 85.10072:20506 86.0964:1962897 87.09951:62617 92.29303:9828 93.06924:12501 95.08514:23125 97.06411:9934 98.98404:118815 104.10701:225282 107.08536:10408 109.10088:17176 124.99981:1051631 146.98137:86403 183.38994:17405 184.07323:20148180 185.07657:615987 186.0773:230211 187.16023:15100 207.99921:18703 218.95488:18529 223.0096:11464 304.80402:10591 309.70703:13085 313.02444:11553 508.37845:26212 513.6601:13477 591.53143:16408 613.52136:59545 618.53949:13861 630.42163:15450 655.5564:146634 737.51312:70599 PC(p-38:3)/PC(o-38:4) B [M+H]+ 5.82 796.6212 [M+H]+ TRUE GWBOVQHRCURSPU-QMFAPAEZSA-N 71.07301:93246 71.33598:9354 73.72277:8331 75.80771:9061 81.0696:15887 86.09641:1469048 95.0853:11602 98.98398:52857 104.10699:237118 108.05868:9377 124.99978:777465 146.98141:18820 152.87291:9510 157.58272:9595 166.78036:9672 184.07321:16929762 185.07613:16871 212.73528:101510 249.43315:9578 304.21512:12230 326.58701:10326 510.3967:17186 655.565:88676 737.53882:18346 PC(p-38:4)/PC(o-38:5) A [M+H]+ 5.23 794.6055 [M+H]+ TRUE YPAPIRJFGNBODV-AMFPDOHCSA-N 71.07295:119308 72.50122:7615 81.07003:14691 83.08532:12917 86.06067:7666 86.09641:1533532 95.08548:16446 97.10107:9107 98.98418:71485 104.10701:202439 109.10127:7903 112.70855:6433 124.99981:706001 143.0116:7969 146.98161:201926 146.99364:12898 181.06529:7344 184.07324:14441382 185.07561:10479 186.17397:10442 187.15764:8545 508.37808:13275 589.52203:42855 611.4978:95965 630.41901:10887 735.49628:99844 760.79291:8906 794.60211:918133 PC(p-38:4)/PC(o-38:5) B [M+H]+ 5.71 794.6057 [M+H]+ TRUE DYFGXBAIDOATAE-DSLLYOFSSA-N 70.9874:15477 71.07302:211982 79.05424:24274 81.06976:33494 83.08564:20865 86.0964:3159969 91.05403:22330 93.0699:27045 94.21362:22277 95.085:26059 98.98411:164679 104.10704:275188 119.08496:20999 124.99979:1576616 130.96768:16489 181.02594:72266 181.07782:18273 184.07321:32191378 217.39191:53045 217.41205:24204 392.00677:16888 508.3783:121784 526.32629:225531 630.41443:26541 653.54852:215715 722.03894:21172 794.60498:2130690 PC(p-38:5)/PC(o-38:6) A [M+H]+ 5.02 792.5899 [M+H]+ TRUE FAKYQMLQEAQOLK-LHZZQLRFSA-N 70.58718:3847 71.07303:16968 77.19955:3104 86.09646:246549 86.79482:3568 98.98437:14177 103.79968:4220 104.10702:33467 115.46832:3315 117.97192:3149 119.60498:4023 124.99982:128614 184.07333:2582758 219.00995:3765 288.21664:3463 523.50787:3519 596.83862:4089 792.58978:167262 PC(p-38:5)/PC(o-38:6) B [M+H]+ 5.14 792.5899 [M+H]+ TRUE FAKYQMLQEAQOLK-LHZZQLRFSA-N 71.07294:1139834 79.05406:204421 81.06985:340180 83.08556:93527 86.09637:16119743 91.05399:230607 93.06966:224011 95.08514:444217 98.98412:791374 104.10699:1559694 105.07024:91479 107.08533:79940 109.10093:91613 119.08521:126264 120.70385:54835 121.10128:88633 124.99974:8475894 131.08614:59614 133.10191:63643 163.01535:113252 181.02626:228786 181.05673:114992 184.07314:151546048 187.16521:111567 203.17896:59154 217.38304:71684 240.10066:73515 441.00812:57410 506.36133:515670 526.32727:847158 630.4184:104007 651.534:1392592 699.62341:53418 758.71222:116985 786.49689:61243 792.5896:7147710 PC(p-38:6)/PC(o-38:7) [M+H]+ 4.92 790.5739 [M+H]+ TRUE No record 71.07295:8089 81.07002:4857 86.0964:199405 93.54148:3640 94.70911:3184 98.98434:7602 101.08623:3086 104.10709:16389 109.48568:3225 124.99982:100702 184.07327:2017821 207.17325:4802 218.99577:4170 219.01506:5841 355.28577:3980 480.34421:6665 550.32812:6614 559.79718:3821 649.51971:13483 PC(p-40:3)/PC(o-40:4) [M+H]+ 6.47 824.6542 [M+H]+ FALSE RDNHPNJCALITSY-MBZSPAKGSA-N PC(p-40:4)/PC(o-40:5) [M+H]+ 5.84 822.637 [M+H]+ TRUE UWNFEVACEPZILS-RNNLSGHUSA-N 71.07291:76426 83.02761:4633 86.09638:1032132 92.33277:5009 93.07006:5638 98.98394:42233 104.10693:142228 114.78737:5217 124.93792:9044 124.99979:553448 146.98204:8642 167.98032:24066 181.05562:8044 184.07318:10110591 185.07753:33388 185.99095:5516 187.16856:7424 199.54541:6662 218.96509:13921 280.81827:6020 315.87466:5596 367.2872:5298 575.73755:5367 630.41632:8123 763.51697:6804 PC(p-40:5)/PC(o-40:6) [M+H]+ 5.73 820.6208 [M+H]+ TRUE KUHMJRMPHBRAMY-DDURNVNNSA-N 70.53929:4853 71.07299:47741 79.05404:20077 81.06974:41180 83.08525:10648 86.09638:745035 86.67496:4452 91.05442:34422 93.06967:26770 95.08543:43712 97.10102:7138 98.98425:40681 104.10699:67185 104.53584:4338 105.06969:17726 107.08518:9782 109.10091:29835 117.06983:6651 119.08546:23459 121.10126:17676 124.99977:372681 131.08566:17929 133.10118:10166 133.3544:4487 135.11708:6370 138.62347:3978 145.10132:7079 149.09468:5165 149.38402:4659 158.81619:4642 162.36189:4400 163.01534:6214 175.14856:6923 181.02544:7979 184.07318:8029424 203.17929:6197 243.7121:5658 304.22061:6450 330.27802:5550 339.28976:7994 393.33658:31186 480.34219:5605 508.37979:25150 526.3302:6712 534.39105:5977 552.34387:20984 580.37128:19621 630.41632:5396 679.56592:269978 PC(p-40:6)/PC(o-40:7) A [M+H]+ 5.06 818.6047 [M+H]+ FALSE XUVCLJCZWPTAIO-OAKHYACESA-N PC(p-40:6)/PC(o-40:7) B [M+H]+ 5.46 818.6219 [M+H]+ FALSE FMBYBTSZVHUJMV-DIVFMYBRSA-N PC(p-42:4)/PC(o-42:5) [M+H]+ 6.5 850.6713 [M+H]+ TRUE NLEDXBSUDVLSEN-UFFJXODHSA-N 77.1892:3577 86.09637:72925 104.10679:7036 124.99967:38201 184.07323:857887 219.991:3946 504.22519:4194 750.63556:3733 PC(p-42:5)/PC(o-42:6) A [M+H]+ 5.89 848.6531 [M+H]+ FALSE QZMFOSCFDWPISC-KQHSIIGPSA-N PC(p-42:5)/PC(o-42:6) B [M+H]+ 6.35 848.6531 [M+H]+ FALSE QZMFOSCFDWPISC-KQHSIIGPSA-N PC(p-44:4)/PC(o-44:5) [M+H]+ 7.07 878.6995 [M+H]+ TRUE CEZAZXUWDFPTTE-FHIJIHMSSA-N 71.07304:5752 83.51909:3552 86.09646:127085 98.98432:6083 104.10671:18259 125.00011:70979 128.71768:3670 184.07327:1491031 305.34317:4066 493.20682:4426 498.63086:4491 538.36359:3864 767.70361:5432 802.5434:3997 METABOLITES_END #END